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 2rdd_1_A DATA FIRST_RESID 1 DATA SEQUENCE MPNFFIDRPI FAWVIAIIIM LAGGLAILKL PVAQYPTIAP PAVTISASYP DATA SEQUENCE GADAKTVQDT VTQVIEQNMN GIDNLMYMSS NSDSTGTVQI TLTFESGTDA DATA SEQUENCE DIAQVQVQNK LQLAMPLLPQ EVQQQGVSVE KSSSSFLMVV GVINTDGTMT DATA SEQUENCE QEDISDYVAA NMKDAISRTS GVGDVQLFGS QYAMRIWMNP NELNKFQLTP DATA SEQUENCE VDVITAIKAQ NAQVAAGQLG GTPPVKGQQL NASIIAQTRL TSTEEFGKIL DATA SEQUENCE LKVNQDGSRV LLRDVAKIEL GGENYDIIAE FNGQPASGLG IKLAXXANAL 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 ALCATMLKPI DATA SEQUENCE AKXXXXXXXK GFFGWFNRMF EKSTHHYTDS VGGILRSTGR YLVLYLIIVV DATA SEQUENCE GMAYLFVRLP SSFLPDEDQG VFMTMVQLPA GATQERTQKV LNEVTHYYLT DATA SEQUENCE KEKNNVESVF AVNGFGFAGR GQNTGIAFVS LKDWADRPGE ENKVEAITMR DATA SEQUENCE ATRAFSQIKD AMVFAFNLPA IVEXXXXXXF DFELIDQAGL GHEKLTQARN DATA SEQUENCE QLLAEAAKHP DMXXXVRPNG 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 0.000 176.429 176.300 0.216 0.000 1.140 1 M CA 0.000 55.369 55.300 0.115 0.000 0.988 1 M CB 0.000 32.610 32.600 0.017 0.000 1.302 2 P HA 0.068 nan 4.420 nan 0.000 0.213 2 P C 0.982 178.399 177.300 0.195 0.000 1.170 2 P CA 1.543 64.727 63.100 0.140 0.000 0.889 2 P CB -0.129 31.610 31.700 0.065 0.000 0.782 3 N N -1.425 117.374 118.700 0.165 0.000 2.417 3 N HA -0.166 4.576 4.740 0.003 0.000 0.187 3 N C 1.454 177.098 175.510 0.224 0.000 1.027 3 N CA 1.011 54.155 53.050 0.157 0.000 0.891 3 N CB -0.528 38.038 38.487 0.132 0.000 0.956 3 N HN 0.160 nan 8.380 nan 0.000 0.442 4 F N -0.113 119.906 119.950 0.115 0.000 2.220 4 F HA 0.131 4.660 4.527 0.003 0.000 0.290 4 F C 1.746 177.668 175.800 0.203 0.000 1.080 4 F CA 0.304 58.387 58.000 0.139 0.000 1.318 4 F CB -0.281 38.814 39.000 0.158 0.000 1.063 4 F HN -0.188 nan 8.300 nan 0.000 0.498 5 F N 0.336 120.392 119.950 0.176 0.000 2.604 5 F HA 0.017 4.546 4.527 0.003 0.000 0.298 5 F C 1.918 177.744 175.800 0.043 0.000 1.131 5 F CA 0.758 58.827 58.000 0.115 0.000 1.457 5 F CB -0.569 38.519 39.000 0.146 0.000 1.095 5 F HN -0.072 nan 8.300 nan 0.000 0.574 6 I N -0.980 119.692 120.570 0.169 0.000 2.928 6 I HA -0.155 4.017 4.170 0.003 0.000 0.266 6 I C 1.643 177.766 176.117 0.011 0.000 1.234 6 I CA 0.907 62.256 61.300 0.083 0.000 1.483 6 I CB -0.166 37.881 38.000 0.078 0.000 1.097 6 I HN -0.049 nan 8.210 nan 0.000 0.455 7 D N 1.745 122.118 120.400 -0.046 0.000 2.369 7 D HA 0.048 4.690 4.640 0.003 0.000 0.211 7 D C 0.496 176.731 176.300 -0.108 0.000 1.077 7 D CA 0.123 54.075 54.000 -0.079 0.000 0.842 7 D CB 0.529 41.261 40.800 -0.115 0.000 0.947 7 D HN 0.373 nan 8.370 nan 0.000 0.509 8 R N -0.066 120.355 120.500 -0.133 0.000 2.513 8 R HA 0.386 4.728 4.340 0.003 0.000 0.283 8 R C -2.438 173.800 176.300 -0.103 0.000 1.535 8 R CA -1.268 54.744 56.100 -0.147 0.000 1.315 8 R CB 1.217 31.360 30.300 -0.261 0.000 1.163 8 R HN -0.239 nan 8.270 nan 0.000 0.573 9 P HA -0.098 nan 4.420 nan 0.000 0.213 9 P C 1.356 178.732 177.300 0.127 0.000 1.170 9 P CA 0.874 64.007 63.100 0.055 0.000 0.893 9 P CB 0.191 31.951 31.700 0.100 0.000 0.784 10 I N -1.698 118.958 120.570 0.142 0.000 2.118 10 I HA -0.287 3.885 4.170 0.003 0.000 0.241 10 I C 2.339 178.547 176.117 0.151 0.000 1.070 10 I CA 1.639 63.044 61.300 0.175 0.000 1.327 10 I CB -0.845 37.217 38.000 0.104 0.000 1.034 10 I HN -0.135 nan 8.210 nan 0.000 0.405 11 F N 1.746 121.652 119.950 -0.074 0.000 2.192 11 F HA -0.269 4.260 4.527 0.003 0.000 0.301 11 F C 2.331 178.093 175.800 -0.063 0.000 1.079 11 F CA 1.232 59.160 58.000 -0.120 0.000 1.303 11 F CB -0.357 38.466 39.000 -0.294 0.000 1.024 11 F HN 0.031 nan 8.300 nan 0.000 0.494 12 A N -0.168 122.605 122.820 -0.078 0.000 1.821 12 A HA -0.177 4.144 4.320 0.003 0.000 0.215 12 A C 2.157 179.831 177.584 0.152 0.000 1.214 12 A CA 1.345 53.467 52.037 0.142 0.000 0.608 12 A CB -1.797 17.329 19.000 0.209 0.000 0.862 12 A HN 0.609 nan 8.150 nan 0.000 0.448 13 W N 0.051 121.361 121.300 0.017 0.000 2.286 13 W HA -0.350 4.311 4.660 0.002 0.000 0.341 13 W C 2.332 178.830 176.519 -0.035 0.000 1.359 13 W CA 2.332 59.677 57.345 0.001 0.000 1.269 13 W CB -0.655 28.803 29.460 -0.003 0.000 1.123 13 W HN 0.204 nan 8.180 nan 0.000 0.467 14 V N 0.552 120.611 119.914 0.242 0.000 2.313 14 V HA -0.376 3.746 4.120 0.003 0.000 0.253 14 V C 1.776 177.866 176.094 -0.007 0.000 1.070 14 V CA 2.064 64.403 62.300 0.066 0.000 1.057 14 V CB -0.992 30.825 31.823 -0.011 0.000 0.653 14 V HN 0.384 nan 8.190 nan 0.000 0.450 15 I N -0.680 119.837 120.570 -0.088 0.000 3.291 15 I HA -0.060 4.111 4.170 0.003 0.000 0.279 15 I C 2.135 178.252 176.117 -0.001 0.000 1.294 15 I CA 0.885 62.124 61.300 -0.102 0.000 1.428 15 I CB -0.131 37.773 38.000 -0.160 0.000 1.070 15 I HN 0.305 nan 8.210 nan 0.000 0.478 16 A N 0.881 123.742 122.820 0.069 0.000 1.887 16 A HA 0.019 4.341 4.320 0.003 0.000 0.210 16 A C 2.106 179.752 177.584 0.104 0.000 1.221 16 A CA 0.529 52.613 52.037 0.078 0.000 0.635 16 A CB -0.555 18.500 19.000 0.091 0.000 0.881 16 A HN 0.353 nan 8.150 nan 0.000 0.456 17 I N 0.312 120.979 120.570 0.162 0.000 2.185 17 I HA -0.344 3.828 4.170 0.003 0.000 0.246 17 I C 2.345 178.496 176.117 0.057 0.000 1.088 17 I CA 1.539 62.907 61.300 0.113 0.000 1.347 17 I CB -0.450 37.596 38.000 0.077 0.000 1.041 17 I HN 0.351 nan 8.210 nan 0.000 0.415 18 I N 0.965 121.557 120.570 0.037 0.000 2.069 18 I HA -0.364 3.807 4.170 0.003 0.000 0.237 18 I C 2.519 178.651 176.117 0.024 0.000 1.053 18 I CA 2.068 63.379 61.300 0.019 0.000 1.311 18 I CB -0.418 37.584 38.000 0.003 0.000 1.030 18 I HN 0.183 nan 8.210 nan 0.000 0.398 19 I N -0.008 120.577 120.570 0.023 0.000 2.194 19 I HA -0.370 3.801 4.170 0.003 0.000 0.246 19 I C 2.637 178.773 176.117 0.032 0.000 1.093 19 I CA 1.531 62.844 61.300 0.022 0.000 1.355 19 I CB -0.570 37.438 38.000 0.013 0.000 1.046 19 I HN 0.269 nan 8.210 nan 0.000 0.413 20 M N 0.786 120.411 119.600 0.041 0.000 2.180 20 M HA -0.235 4.246 4.480 0.003 0.000 0.260 20 M C 2.423 178.748 176.300 0.041 0.000 1.071 20 M CA 2.073 57.399 55.300 0.044 0.000 1.096 20 M CB -0.779 31.855 32.600 0.056 0.000 1.276 20 M HN 0.191 nan 8.290 nan 0.000 0.426 21 L N 0.274 121.518 121.223 0.035 0.000 2.456 21 L HA -0.212 4.130 4.340 0.003 0.000 0.225 21 L C 2.512 179.402 176.870 0.033 0.000 1.142 21 L CA 0.702 55.559 54.840 0.030 0.000 0.796 21 L CB -0.935 41.136 42.059 0.020 0.000 0.920 21 L HN 0.379 nan 8.230 nan 0.000 0.446 22 A N -0.329 122.513 122.820 0.037 0.000 2.168 22 A HA 0.058 4.380 4.320 0.003 0.000 0.215 22 A C 2.266 179.886 177.584 0.061 0.000 1.152 22 A CA 1.281 53.342 52.037 0.040 0.000 0.716 22 A CB -0.523 18.499 19.000 0.037 0.000 0.794 22 A HN 0.441 nan 8.150 nan 0.000 0.465 23 G N -0.877 107.969 108.800 0.077 0.000 2.645 23 G HA2 0.238 4.200 3.960 0.003 0.000 0.207 23 G HA3 0.238 4.200 3.960 0.003 0.000 0.207 23 G C 1.477 176.437 174.900 0.100 0.000 1.145 23 G CA 0.817 45.993 45.100 0.127 0.000 0.831 23 G HN 0.595 nan 8.290 nan 0.000 0.563 24 G N 0.723 109.564 108.800 0.068 0.000 2.581 24 G HA2 -0.213 3.749 3.960 0.003 0.000 0.223 24 G HA3 -0.213 3.749 3.960 0.003 0.000 0.223 24 G C 1.592 176.515 174.900 0.038 0.000 1.094 24 G CA 1.429 46.559 45.100 0.050 0.000 0.736 24 G HN 0.401 nan 8.290 nan 0.000 0.588 25 L N -0.245 120.998 121.223 0.034 0.000 2.435 25 L HA 0.571 4.912 4.340 0.003 0.000 0.195 25 L C 3.008 179.879 176.870 0.002 0.000 1.072 25 L CA 1.460 56.309 54.840 0.015 0.000 0.833 25 L CB -0.758 41.307 42.059 0.011 0.000 1.081 25 L HN 0.138 nan 8.230 nan 0.000 0.485 26 A N 0.637 123.465 122.820 0.013 0.000 1.881 26 A HA -0.294 4.028 4.320 0.003 0.000 0.219 26 A C 2.207 179.719 177.584 -0.119 0.000 1.215 26 A CA 2.635 54.658 52.037 -0.024 0.000 0.648 26 A CB -1.169 17.855 19.000 0.040 0.000 0.832 26 A HN 0.481 nan 8.150 nan 0.000 0.455 27 I N -0.058 120.466 120.570 -0.077 0.000 2.093 27 I HA -0.422 3.749 4.170 0.003 0.000 0.239 27 I C 2.500 178.521 176.117 -0.160 0.000 1.026 27 I CA 2.187 63.387 61.300 -0.166 0.000 1.295 27 I CB -0.842 37.202 38.000 0.073 0.000 1.007 27 I HN 0.437 nan 8.210 nan 0.000 0.401 28 L N 0.297 121.481 121.223 -0.065 0.000 1.941 28 L HA -0.274 4.068 4.340 0.003 0.000 0.224 28 L C 2.411 179.242 176.870 -0.064 0.000 1.081 28 L CA 1.809 56.620 54.840 -0.049 0.000 0.784 28 L CB -1.195 40.852 42.059 -0.021 0.000 0.894 28 L HN 0.176 nan 8.230 nan 0.000 0.436 29 K N 0.280 120.646 120.400 -0.056 0.000 2.455 29 K HA -0.123 4.199 4.320 0.003 0.000 0.200 29 K C 0.535 177.095 176.600 -0.067 0.000 1.045 29 K CA 0.801 57.057 56.287 -0.051 0.000 0.932 29 K CB -0.570 31.904 32.500 -0.042 0.000 0.754 29 K HN 0.254 nan 8.250 nan 0.000 0.486 30 L N 2.502 123.661 121.223 -0.108 0.000 2.331 30 L HA 0.141 4.483 4.340 0.003 0.000 0.278 30 L C -1.923 174.894 176.870 -0.089 0.000 1.106 30 L CA -2.068 52.697 54.840 -0.126 0.000 0.824 30 L CB 0.644 42.554 42.059 -0.249 0.000 1.142 30 L HN -0.118 nan 8.230 nan 0.000 0.443 31 P HA 0.050 nan 4.420 nan 0.000 0.249 31 P C -0.288 176.987 177.300 -0.042 0.000 1.737 31 P CA -0.229 62.844 63.100 -0.044 0.000 1.128 31 P CB -0.133 31.545 31.700 -0.037 0.000 1.942 32 V N 2.248 122.140 119.914 -0.036 0.000 2.584 32 V HA 0.203 4.325 4.120 0.003 0.000 0.303 32 V C 1.048 177.138 176.094 -0.007 0.000 1.035 32 V CA 0.302 62.592 62.300 -0.017 0.000 1.172 32 V CB -0.651 31.175 31.823 0.005 0.000 0.896 32 V HN 0.609 nan 8.190 nan 0.000 0.486 33 A N 3.676 126.492 122.820 -0.006 0.000 2.386 33 A HA 0.503 4.825 4.320 0.003 0.000 0.311 33 A C 0.687 178.289 177.584 0.031 0.000 1.068 33 A CA -0.566 51.460 52.037 -0.019 0.000 0.743 33 A CB 1.677 20.625 19.000 -0.086 0.000 1.258 33 A HN 0.806 nan 8.150 nan 0.000 0.429 34 Q N 0.170 120.013 119.800 0.071 0.000 2.061 34 Q HA -0.118 4.223 4.340 0.003 0.000 0.204 34 Q C -0.167 175.976 176.000 0.239 0.000 0.984 34 Q CA 2.140 58.046 55.803 0.172 0.000 0.846 34 Q CB -0.105 28.777 28.738 0.241 0.000 0.902 34 Q HN 0.855 nan 8.270 nan 0.000 0.421 35 Y N -2.668 117.667 120.300 0.058 0.000 2.571 35 Y HA 0.631 5.183 4.550 0.003 0.000 0.341 35 Y C -2.899 173.028 175.900 0.046 0.000 1.076 35 Y CA -3.074 55.063 58.100 0.062 0.000 1.029 35 Y CB 0.799 39.305 38.460 0.076 0.000 1.308 35 Y HN -0.137 nan 8.280 nan 0.000 0.461 36 P HA 0.132 nan 4.420 nan 0.000 0.271 36 P C -0.497 176.772 177.300 -0.051 0.000 1.233 36 P CA 0.042 63.116 63.100 -0.043 0.000 0.764 36 P CB 0.739 32.455 31.700 0.026 0.000 0.825 37 T N 4.602 119.043 114.554 -0.189 0.000 2.393 37 T HA -0.097 4.255 4.350 0.003 0.000 0.225 37 T C 1.151 175.915 174.700 0.107 0.000 1.123 37 T CA 0.869 62.938 62.100 -0.052 0.000 1.701 37 T CB -0.897 67.937 68.868 -0.058 0.000 1.100 37 T HN 0.342 nan 8.240 nan 0.000 0.472 38 I N 1.913 122.652 120.570 0.282 0.000 3.884 38 I HA 0.359 4.530 4.170 0.003 0.000 0.330 38 I C 1.054 177.242 176.117 0.119 0.000 1.451 38 I CA -0.174 61.242 61.300 0.192 0.000 1.165 38 I CB -0.120 38.009 38.000 0.216 0.000 1.097 38 I HN 0.590 nan 8.210 nan 0.000 0.404 39 A N 1.356 124.248 122.820 0.119 0.000 2.527 39 A HA 0.780 5.102 4.320 0.003 0.000 0.293 39 A C -2.673 174.954 177.584 0.072 0.000 1.117 39 A CA -1.371 50.714 52.037 0.079 0.000 0.723 39 A CB 0.929 19.978 19.000 0.081 0.000 1.313 39 A HN -0.086 nan 8.150 nan 0.000 0.411 40 P HA 0.250 nan 4.420 nan 0.000 0.270 40 P C -2.539 174.806 177.300 0.075 0.000 1.242 40 P CA -0.643 62.501 63.100 0.074 0.000 0.768 40 P CB -0.143 31.601 31.700 0.074 0.000 0.820 41 P HA 0.219 nan 4.420 nan 0.000 0.270 41 P C -0.785 176.584 177.300 0.115 0.000 1.221 41 P CA 0.043 63.184 63.100 0.068 0.000 0.788 41 P CB 0.547 32.265 31.700 0.030 0.000 0.904 42 A N 0.962 123.845 122.820 0.105 0.000 2.512 42 A HA 0.455 4.777 4.320 0.003 0.000 0.294 42 A C -0.712 176.945 177.584 0.122 0.000 1.054 42 A CA -0.686 51.446 52.037 0.158 0.000 0.756 42 A CB 0.783 19.808 19.000 0.041 0.000 1.293 42 A HN 0.239 nan 8.150 nan 0.000 0.395 43 V N 1.477 121.512 119.914 0.202 0.000 2.715 43 V HA 0.531 4.653 4.120 0.003 0.000 0.299 43 V C 0.377 176.513 176.094 0.069 0.000 1.054 43 V CA 0.255 62.630 62.300 0.126 0.000 1.077 43 V CB 1.116 33.047 31.823 0.181 0.000 0.972 43 V HN 0.908 nan 8.190 nan 0.000 0.484 44 T N 4.676 119.253 114.554 0.038 0.000 3.103 44 T HA 0.427 4.778 4.350 0.003 0.000 0.352 44 T C -0.241 174.468 174.700 0.016 0.000 1.048 44 T CA -0.292 61.821 62.100 0.021 0.000 1.175 44 T CB 0.196 69.078 68.868 0.022 0.000 1.029 44 T HN 0.516 nan 8.240 nan 0.000 0.498 45 I N 2.130 122.707 120.570 0.012 0.000 2.460 45 I HA 0.235 4.407 4.170 0.003 0.000 0.297 45 I C 0.971 177.094 176.117 0.011 0.000 1.139 45 I CA -0.354 60.952 61.300 0.009 0.000 1.340 45 I CB -0.271 37.732 38.000 0.005 0.000 1.444 45 I HN 0.486 nan 8.210 nan 0.000 0.557 46 S N 5.637 121.345 115.700 0.013 0.000 2.537 46 S HA 0.777 5.248 4.470 0.003 0.000 0.275 46 S C -0.195 174.416 174.600 0.018 0.000 1.272 46 S CA -0.292 57.919 58.200 0.018 0.000 1.050 46 S CB 1.321 64.533 63.200 0.019 0.000 0.961 46 S HN 0.796 nan 8.310 nan 0.000 0.496 47 A N 3.364 126.200 122.820 0.026 0.000 2.515 47 A HA 0.879 5.200 4.320 0.003 0.000 0.296 47 A C -0.600 177.014 177.584 0.051 0.000 1.094 47 A CA -0.785 51.271 52.037 0.033 0.000 0.718 47 A CB 1.772 20.792 19.000 0.033 0.000 1.307 47 A HN 0.936 nan 8.150 nan 0.000 0.408 48 S N -0.808 114.931 115.700 0.064 0.000 2.556 48 S HA 0.639 5.111 4.470 0.003 0.000 0.271 48 S C -1.810 172.877 174.600 0.144 0.000 1.135 48 S CA -0.336 57.918 58.200 0.091 0.000 0.858 48 S CB 1.457 64.694 63.200 0.061 0.000 1.114 48 S HN 0.872 nan 8.310 nan 0.000 0.468 49 Y N 3.028 123.341 120.300 0.023 0.000 2.475 49 Y HA 0.369 4.921 4.550 0.003 0.000 0.343 49 Y C -2.781 173.147 175.900 0.046 0.000 1.068 49 Y CA -1.857 56.261 58.100 0.029 0.000 1.307 49 Y CB 1.324 39.797 38.460 0.022 0.000 1.097 49 Y HN 0.364 nan 8.280 nan 0.000 0.530 50 P HA 0.152 nan 4.420 nan 0.000 0.267 50 P C 0.814 178.088 177.300 -0.043 0.000 1.209 50 P CA 1.650 64.731 63.100 -0.032 0.000 0.763 50 P CB 0.981 32.693 31.700 0.020 0.000 0.816 51 G N 2.282 111.121 108.800 0.064 0.000 2.155 51 G HA2 -0.242 3.720 3.960 0.003 0.000 0.257 51 G HA3 -0.242 3.720 3.960 0.003 0.000 0.257 51 G C 0.679 175.682 174.900 0.172 0.000 0.983 51 G CA 0.364 45.524 45.100 0.099 0.000 0.676 51 G HN 0.797 nan 8.290 nan 0.000 0.528 52 A N 0.345 123.341 122.820 0.294 0.000 3.534 52 A HA 0.596 4.917 4.320 0.003 0.000 0.160 52 A C 0.839 178.509 177.584 0.145 0.000 1.460 52 A CA 1.656 53.893 52.037 0.333 0.000 0.851 52 A CB 0.083 19.358 19.000 0.458 0.000 1.068 52 A HN 1.682 nan 8.150 nan 0.000 0.487 53 D N -4.781 115.670 120.400 0.086 0.000 3.133 53 D HA 0.159 4.801 4.640 0.003 0.000 0.282 53 D C 0.190 176.490 176.300 -0.000 0.000 1.059 53 D CA -0.027 53.996 54.000 0.040 0.000 0.721 53 D CB 0.638 41.454 40.800 0.027 0.000 1.558 53 D HN 0.842 nan 8.370 nan 0.000 0.467 54 A N 0.311 123.128 122.820 -0.005 0.000 2.104 54 A HA -0.271 4.050 4.320 0.003 0.000 0.223 54 A C 1.927 179.479 177.584 -0.054 0.000 1.164 54 A CA 2.612 54.631 52.037 -0.031 0.000 0.659 54 A CB -0.495 18.481 19.000 -0.040 0.000 0.808 54 A HN 0.514 nan 8.150 nan 0.000 0.465 55 K N -0.382 119.987 120.400 -0.051 0.000 2.025 55 K HA -0.041 4.280 4.320 0.003 0.000 0.211 55 K C 2.260 178.811 176.600 -0.082 0.000 1.029 55 K CA 2.053 58.304 56.287 -0.060 0.000 0.948 55 K CB -1.113 31.360 32.500 -0.046 0.000 0.768 55 K HN 0.445 nan 8.250 nan 0.000 0.446 56 T N -0.358 114.134 114.554 -0.104 0.000 2.493 56 T HA -0.254 4.098 4.350 0.003 0.000 0.256 56 T C 1.993 176.567 174.700 -0.210 0.000 1.195 56 T CA 2.476 64.469 62.100 -0.178 0.000 1.183 56 T CB -1.351 67.357 68.868 -0.266 0.000 0.863 56 T HN -0.020 nan 8.240 nan 0.000 0.418 57 V N 2.356 122.136 119.914 -0.223 0.000 2.277 57 V HA -0.286 3.836 4.120 0.003 0.000 0.255 57 V C 3.125 179.157 176.094 -0.103 0.000 1.074 57 V CA 2.500 64.700 62.300 -0.167 0.000 1.058 57 V CB -1.010 30.771 31.823 -0.071 0.000 0.656 57 V HN 0.574 nan 8.190 nan 0.000 0.449 58 Q N -0.372 119.379 119.800 -0.081 0.000 2.096 58 Q HA -0.228 4.114 4.340 0.003 0.000 0.204 58 Q C 1.822 177.785 176.000 -0.061 0.000 0.982 58 Q CA 2.352 58.119 55.803 -0.059 0.000 0.850 58 Q CB -0.367 28.336 28.738 -0.057 0.000 0.901 58 Q HN 0.750 nan 8.270 nan 0.000 0.422 59 D N -1.846 118.509 120.400 -0.075 0.000 2.338 59 D HA 0.010 4.652 4.640 0.003 0.000 0.208 59 D C 1.127 177.380 176.300 -0.079 0.000 0.997 59 D CA 0.679 54.639 54.000 -0.067 0.000 0.880 59 D CB 0.028 40.793 40.800 -0.059 0.000 0.980 59 D HN 0.118 nan 8.370 nan 0.000 0.509 60 T N -0.436 114.046 114.554 -0.120 0.000 3.086 60 T HA 0.155 4.507 4.350 0.003 0.000 0.250 60 T C 1.289 175.926 174.700 -0.106 0.000 1.074 60 T CA 0.257 62.279 62.100 -0.130 0.000 0.988 60 T CB 0.302 69.040 68.868 -0.216 0.000 0.988 60 T HN -0.086 nan 8.240 nan 0.000 0.530 61 V N -1.099 118.762 119.914 -0.088 0.000 3.629 61 V HA 0.097 4.219 4.120 0.003 0.000 0.194 61 V C 2.458 178.534 176.094 -0.029 0.000 1.343 61 V CA 0.455 62.729 62.300 -0.044 0.000 1.292 61 V CB -0.711 31.096 31.823 -0.028 0.000 1.287 61 V HN 0.171 nan 8.190 nan 0.000 0.554 62 T N 0.605 115.139 114.554 -0.033 0.000 2.699 62 T HA -0.258 4.094 4.350 0.003 0.000 0.268 62 T C 1.886 176.568 174.700 -0.029 0.000 1.036 62 T CA 2.244 64.329 62.100 -0.026 0.000 1.147 62 T CB -0.279 68.573 68.868 -0.027 0.000 0.862 62 T HN 0.434 nan 8.240 nan 0.000 0.446 63 Q N 0.337 120.116 119.800 -0.034 0.000 2.016 63 Q HA -0.045 4.297 4.340 0.003 0.000 0.200 63 Q C 2.645 178.629 176.000 -0.026 0.000 0.978 63 Q CA 1.226 57.010 55.803 -0.031 0.000 0.833 63 Q CB -0.470 28.248 28.738 -0.033 0.000 0.895 63 Q HN 0.414 nan 8.270 nan 0.000 0.427 64 V N 0.850 120.749 119.914 -0.026 0.000 3.026 64 V HA -0.189 3.933 4.120 0.003 0.000 0.265 64 V C 1.861 177.946 176.094 -0.015 0.000 1.121 64 V CA 1.285 63.574 62.300 -0.019 0.000 1.142 64 V CB -0.481 31.333 31.823 -0.015 0.000 0.730 64 V HN 0.302 nan 8.190 nan 0.000 0.503 65 I N -1.154 119.406 120.570 -0.017 0.000 3.445 65 I HA 0.034 4.205 4.170 0.003 0.000 0.288 65 I C 2.334 178.438 176.117 -0.022 0.000 1.198 65 I CA 0.459 61.750 61.300 -0.015 0.000 1.417 65 I CB 0.141 38.134 38.000 -0.011 0.000 1.205 65 I HN 0.185 nan 8.210 nan 0.000 0.448 66 E N 0.762 120.946 120.200 -0.028 0.000 2.152 66 E HA -0.192 4.159 4.350 0.003 0.000 0.192 66 E C 1.981 178.560 176.600 -0.035 0.000 0.983 66 E CA 0.784 57.161 56.400 -0.038 0.000 0.818 66 E CB 0.206 29.880 29.700 -0.043 0.000 0.758 66 E HN 0.390 nan 8.360 nan 0.000 0.467 67 Q N 0.127 119.911 119.800 -0.028 0.000 2.378 67 Q HA -0.053 4.289 4.340 0.003 0.000 0.205 67 Q C 0.379 176.367 176.000 -0.020 0.000 0.954 67 Q CA 0.442 56.231 55.803 -0.024 0.000 0.901 67 Q CB 0.171 28.896 28.738 -0.021 0.000 0.981 67 Q HN 0.004 nan 8.270 nan 0.000 0.483 68 N N 0.052 118.741 118.700 -0.018 0.000 3.025 68 N HA 0.218 4.960 4.740 0.003 0.000 0.315 68 N C -0.847 174.656 175.510 -0.012 0.000 1.511 68 N CA 0.014 53.056 53.050 -0.013 0.000 1.097 68 N CB 0.240 38.721 38.487 -0.009 0.000 1.395 68 N HN 0.021 nan 8.380 nan 0.000 0.511 69 M N -0.033 119.558 119.600 -0.015 0.000 4.590 69 M HA 0.183 4.665 4.480 0.003 0.000 0.545 69 M C 0.177 176.468 176.300 -0.015 0.000 2.120 69 M CA -0.245 55.047 55.300 -0.013 0.000 0.513 69 M CB 0.456 33.044 32.600 -0.020 0.000 1.450 69 M HN 0.182 nan 8.290 nan 0.000 0.599 70 N N 0.658 119.351 118.700 -0.012 0.000 2.223 70 N HA -0.024 4.718 4.740 0.003 0.000 0.185 70 N C 0.845 176.351 175.510 -0.007 0.000 1.016 70 N CA 1.013 54.056 53.050 -0.011 0.000 0.863 70 N CB 0.387 38.869 38.487 -0.008 0.000 0.983 70 N HN 0.508 nan 8.380 nan 0.000 0.429 71 G N 1.045 109.845 108.800 -0.000 0.000 2.866 71 G HA2 0.556 4.518 3.960 0.003 0.000 0.291 71 G HA3 0.556 4.518 3.960 0.003 0.000 0.291 71 G C -0.742 174.168 174.900 0.017 0.000 1.476 71 G CA -0.279 44.825 45.100 0.007 0.000 1.048 71 G HN -0.088 nan 8.290 nan 0.000 0.542 72 I N 0.963 121.549 120.570 0.026 0.000 2.769 72 I HA 0.431 4.603 4.170 0.003 0.000 0.298 72 I C -1.160 175.004 176.117 0.078 0.000 1.128 72 I CA -1.242 60.093 61.300 0.058 0.000 1.031 72 I CB 2.362 40.409 38.000 0.078 0.000 1.235 72 I HN 0.279 nan 8.210 nan 0.000 0.423 73 D N 5.245 125.709 120.400 0.106 0.000 2.232 73 D HA 0.278 4.920 4.640 0.003 0.000 0.242 73 D C 0.180 176.612 176.300 0.221 0.000 1.093 73 D CA 0.079 54.147 54.000 0.112 0.000 0.845 73 D CB 1.052 41.889 40.800 0.062 0.000 1.124 73 D HN 0.468 nan 8.370 nan 0.000 0.467 74 N N 0.910 119.718 118.700 0.179 0.000 2.882 74 N HA -0.198 4.543 4.740 0.003 0.000 0.249 74 N C -0.064 175.515 175.510 0.116 0.000 1.079 74 N CA 0.073 53.262 53.050 0.230 0.000 0.800 74 N CB -1.469 37.234 38.487 0.360 0.000 1.124 74 N HN 0.389 nan 8.380 nan 0.000 0.557 75 L N 1.356 122.557 121.223 -0.036 0.000 2.699 75 L HA 0.102 4.444 4.340 0.003 0.000 0.283 75 L C 1.780 178.479 176.870 -0.286 0.000 1.166 75 L CA 0.522 55.167 54.840 -0.324 0.000 1.043 75 L CB -0.069 41.877 42.059 -0.188 0.000 1.369 75 L HN 0.248 nan 8.230 nan 0.000 0.462 76 M N 4.408 123.765 119.600 -0.405 0.000 2.077 76 M HA -0.049 4.433 4.480 0.003 0.000 0.261 76 M C -0.596 175.597 176.300 -0.178 0.000 1.070 76 M CA 1.502 56.684 55.300 -0.196 0.000 1.125 76 M CB 0.182 32.677 32.600 -0.176 0.000 1.339 76 M HN 0.628 nan 8.290 nan 0.000 0.409 77 Y N -2.633 117.422 120.300 -0.408 0.000 2.376 77 Y HA 0.387 4.939 4.550 0.003 0.000 0.321 77 Y C -1.084 174.523 175.900 -0.489 0.000 1.189 77 Y CA -1.539 56.273 58.100 -0.480 0.000 1.069 77 Y CB 0.048 38.194 38.460 -0.523 0.000 1.292 77 Y HN 0.028 nan 8.280 nan 0.000 0.430 78 M N 4.879 124.231 119.600 -0.413 0.000 2.261 78 M HA 0.443 4.925 4.480 0.003 0.000 0.349 78 M C -0.857 175.210 176.300 -0.389 0.000 1.305 78 M CA 0.200 55.275 55.300 -0.375 0.000 1.240 78 M CB 0.210 32.631 32.600 -0.298 0.000 1.394 78 M HN 0.859 nan 8.290 nan 0.000 0.438 79 S N 2.080 117.649 115.700 -0.218 0.000 2.617 79 S HA 0.495 4.967 4.470 0.003 0.000 0.259 79 S C -0.304 174.269 174.600 -0.045 0.000 1.301 79 S CA -0.653 57.505 58.200 -0.071 0.000 0.984 79 S CB 1.354 64.602 63.200 0.080 0.000 0.954 79 S HN 0.777 nan 8.310 nan 0.000 0.572 80 S N 0.771 116.490 115.700 0.030 0.000 2.560 80 S HA 0.441 4.913 4.470 0.003 0.000 0.283 80 S C -1.970 172.654 174.600 0.039 0.000 1.141 80 S CA -0.880 57.331 58.200 0.019 0.000 0.902 80 S CB 0.377 63.574 63.200 -0.004 0.000 1.104 80 S HN 0.652 nan 8.310 nan 0.000 0.454 81 N N 1.311 120.027 118.700 0.026 0.000 2.380 81 N HA 0.684 5.425 4.740 0.003 0.000 0.290 81 N C -1.534 173.984 175.510 0.014 0.000 1.236 81 N CA -0.770 52.295 53.050 0.025 0.000 0.780 81 N CB 2.024 40.529 38.487 0.030 0.000 1.438 81 N HN 0.523 nan 8.380 nan 0.000 0.491 82 S N 0.016 115.722 115.700 0.010 0.000 2.777 82 S HA 0.129 4.600 4.470 0.003 0.000 0.140 82 S C -1.208 173.395 174.600 0.006 0.000 1.233 82 S CA -0.816 57.386 58.200 0.004 0.000 1.157 82 S CB 0.331 63.525 63.200 -0.011 0.000 1.600 82 S HN 0.362 nan 8.310 nan 0.000 0.432 83 D N 2.912 123.324 120.400 0.019 0.000 2.548 83 D HA -0.010 4.631 4.640 0.003 0.000 0.231 83 D C 0.574 176.893 176.300 0.031 0.000 1.142 83 D CA 0.623 54.639 54.000 0.026 0.000 0.866 83 D CB 0.603 41.426 40.800 0.038 0.000 1.190 83 D HN 0.572 nan 8.370 nan 0.000 0.469 84 S N 0.383 116.102 115.700 0.031 0.000 3.900 84 S HA 0.223 4.695 4.470 0.003 0.000 0.248 84 S C 0.863 175.498 174.600 0.059 0.000 1.310 84 S CA -0.336 57.886 58.200 0.037 0.000 0.915 84 S CB -0.149 63.071 63.200 0.033 0.000 1.588 84 S HN 0.644 nan 8.310 nan 0.000 0.472 85 T N -2.946 111.654 114.554 0.076 0.000 3.661 85 T HA 0.372 4.724 4.350 0.003 0.000 0.287 85 T C 1.202 175.970 174.700 0.113 0.000 0.892 85 T CA 0.235 62.389 62.100 0.090 0.000 0.775 85 T CB -0.569 68.349 68.868 0.082 0.000 1.216 85 T HN 1.605 nan 8.240 nan 0.000 0.850 86 G N 1.106 109.977 108.800 0.119 0.000 2.316 86 G HA2 -0.152 3.810 3.960 0.003 0.000 0.203 86 G HA3 -0.152 3.810 3.960 0.003 0.000 0.203 86 G C 0.198 175.162 174.900 0.106 0.000 0.999 86 G CA -0.025 45.169 45.100 0.156 0.000 0.649 86 G HN 0.856 nan 8.290 nan 0.000 0.489 87 T N 1.286 115.889 114.554 0.082 0.000 2.933 87 T HA 0.417 4.769 4.350 0.003 0.000 0.306 87 T C 0.028 174.756 174.700 0.047 0.000 1.045 87 T CA 0.887 63.026 62.100 0.065 0.000 1.143 87 T CB 1.874 70.780 68.868 0.063 0.000 1.003 87 T HN 0.813 nan 8.240 nan 0.000 0.540 88 V N 4.188 124.126 119.914 0.041 0.000 2.612 88 V HA 0.357 4.478 4.120 0.003 0.000 0.301 88 V C -0.362 175.746 176.094 0.023 0.000 1.059 88 V CA -0.716 61.599 62.300 0.026 0.000 0.886 88 V CB 2.001 33.836 31.823 0.019 0.000 1.007 88 V HN 0.841 nan 8.190 nan 0.000 0.426 89 Q N 4.544 124.355 119.800 0.019 0.000 2.771 89 Q HA 0.513 4.854 4.340 0.003 0.000 0.247 89 Q C -0.889 175.116 176.000 0.008 0.000 0.986 89 Q CA -0.266 55.549 55.803 0.019 0.000 0.713 89 Q CB 1.854 30.611 28.738 0.031 0.000 1.241 89 Q HN 0.686 nan 8.270 nan 0.000 0.488 90 I N 2.165 122.732 120.570 -0.004 0.000 2.436 90 I HA 0.134 4.305 4.170 0.003 0.000 0.289 90 I C 0.217 176.318 176.117 -0.028 0.000 1.083 90 I CA 0.332 61.617 61.300 -0.025 0.000 1.372 90 I CB 0.889 38.868 38.000 -0.036 0.000 1.408 90 I HN 0.284 nan 8.210 nan 0.000 0.516 91 T N 7.678 122.208 114.554 -0.040 0.000 2.829 91 T HA 0.591 4.943 4.350 0.003 0.000 0.282 91 T C -0.233 174.388 174.700 -0.130 0.000 0.990 91 T CA -0.460 61.611 62.100 -0.048 0.000 1.028 91 T CB 1.466 70.323 68.868 -0.019 0.000 0.951 91 T HN 0.251 nan 8.240 nan 0.000 0.460 92 L N 2.844 123.974 121.223 -0.154 0.000 2.343 92 L HA 0.426 4.767 4.340 0.003 0.000 0.278 92 L C 0.452 177.035 176.870 -0.478 0.000 0.996 92 L CA -0.450 54.185 54.840 -0.342 0.000 0.831 92 L CB 1.859 43.771 42.059 -0.245 0.000 1.232 92 L HN 0.618 nan 8.230 nan 0.000 0.413 93 T N 2.585 116.678 114.554 -0.767 0.000 2.922 93 T HA 0.656 5.008 4.350 0.003 0.000 0.285 93 T C -0.755 173.401 174.700 -0.907 0.000 1.005 93 T CA -0.055 61.598 62.100 -0.745 0.000 1.061 93 T CB 0.675 68.820 68.868 -1.204 0.000 1.007 93 T HN 0.100 nan 8.240 nan 0.000 0.502 94 F N 0.538 120.359 119.950 -0.215 0.000 2.578 94 F HA 0.365 4.894 4.527 0.003 0.000 0.311 94 F C 0.217 175.989 175.800 -0.047 0.000 1.094 94 F CA -1.369 56.564 58.000 -0.113 0.000 0.923 94 F CB 1.363 40.316 39.000 -0.079 0.000 1.230 94 F HN 0.420 nan 8.300 nan 0.000 0.450 95 E N 0.733 121.042 120.200 0.181 0.000 2.820 95 E HA -0.030 4.322 4.350 0.003 0.000 0.251 95 E C 0.113 176.782 176.600 0.114 0.000 0.944 95 E CA 0.153 56.637 56.400 0.139 0.000 0.955 95 E CB 0.143 29.919 29.700 0.126 0.000 0.904 95 E HN 0.449 nan 8.360 nan 0.000 0.513 96 S N 3.543 119.299 115.700 0.092 0.000 3.184 96 S HA 0.135 4.607 4.470 0.003 0.000 0.376 96 S C 1.032 175.662 174.600 0.051 0.000 1.163 96 S CA 0.908 59.148 58.200 0.066 0.000 1.314 96 S CB -0.825 62.405 63.200 0.050 0.000 0.962 96 S HN 0.840 nan 8.310 nan 0.000 0.543 97 G N 3.008 111.833 108.800 0.042 0.000 2.200 97 G HA2 -0.136 3.825 3.960 0.003 0.000 0.145 97 G HA3 -0.136 3.825 3.960 0.003 0.000 0.145 97 G C 0.038 174.947 174.900 0.015 0.000 1.021 97 G CA -0.024 45.091 45.100 0.025 0.000 0.720 97 G HN 1.121 nan 8.290 nan 0.000 0.494 98 T N -0.876 113.682 114.554 0.008 0.000 2.862 98 T HA 0.507 4.858 4.350 0.003 0.000 0.276 98 T C 0.178 174.833 174.700 -0.074 0.000 0.974 98 T CA 0.143 62.223 62.100 -0.033 0.000 0.966 98 T CB 1.330 70.165 68.868 -0.055 0.000 1.072 98 T HN 0.292 nan 8.240 nan 0.000 0.538 99 D N 0.154 120.492 120.400 -0.104 0.000 2.541 99 D HA 0.366 5.008 4.640 0.003 0.000 0.231 99 D C 1.436 177.640 176.300 -0.158 0.000 1.163 99 D CA -0.185 53.749 54.000 -0.109 0.000 1.077 99 D CB -0.272 40.469 40.800 -0.100 0.000 1.110 99 D HN 0.681 nan 8.370 nan 0.000 0.499 100 A N 2.797 125.539 122.820 -0.130 0.000 1.985 100 A HA -0.348 3.974 4.320 0.003 0.000 0.223 100 A C 1.813 179.310 177.584 -0.145 0.000 1.189 100 A CA 1.874 53.828 52.037 -0.139 0.000 0.658 100 A CB -0.298 18.657 19.000 -0.075 0.000 0.820 100 A HN 0.516 nan 8.150 nan 0.000 0.464 101 D N -0.529 119.804 120.400 -0.110 0.000 2.103 101 D HA -0.052 4.590 4.640 0.003 0.000 0.199 101 D C 1.900 178.134 176.300 -0.110 0.000 0.978 101 D CA 1.363 55.308 54.000 -0.093 0.000 0.829 101 D CB -0.243 40.518 40.800 -0.066 0.000 0.981 101 D HN 0.563 nan 8.370 nan 0.000 0.464 102 I N 1.054 121.549 120.570 -0.125 0.000 2.852 102 I HA -0.048 4.123 4.170 0.003 0.000 0.264 102 I C 2.354 178.356 176.117 -0.193 0.000 1.179 102 I CA 0.176 61.401 61.300 -0.124 0.000 1.480 102 I CB -0.030 37.911 38.000 -0.098 0.000 1.111 102 I HN -0.140 nan 8.210 nan 0.000 0.441 103 A N 1.144 123.784 122.820 -0.300 0.000 2.076 103 A HA -0.260 4.062 4.320 0.003 0.000 0.220 103 A C 2.130 179.372 177.584 -0.571 0.000 1.160 103 A CA 2.269 53.947 52.037 -0.598 0.000 0.653 103 A CB -0.381 18.145 19.000 -0.789 0.000 0.801 103 A HN 0.626 nan 8.150 nan 0.000 0.455 104 Q N -2.175 117.451 119.800 -0.291 0.000 2.511 104 Q HA 0.171 4.513 4.340 0.003 0.000 0.236 104 Q C 1.377 177.326 176.000 -0.084 0.000 0.893 104 Q CA 1.122 56.837 55.803 -0.147 0.000 0.947 104 Q CB -0.528 28.150 28.738 -0.100 0.000 1.110 104 Q HN 0.087 nan 8.270 nan 0.000 0.591 105 V N 1.866 121.728 119.914 -0.087 0.000 2.594 105 V HA -0.239 3.882 4.120 0.003 0.000 0.253 105 V C 2.433 178.497 176.094 -0.050 0.000 1.069 105 V CA 2.152 64.417 62.300 -0.057 0.000 1.082 105 V CB -0.625 31.165 31.823 -0.055 0.000 0.680 105 V HN 0.622 nan 8.190 nan 0.000 0.469 106 Q N -0.576 119.183 119.800 -0.070 0.000 2.437 106 Q HA -0.112 4.230 4.340 0.003 0.000 0.210 106 Q C 1.763 177.754 176.000 -0.015 0.000 0.972 106 Q CA 1.222 56.996 55.803 -0.048 0.000 0.903 106 Q CB 0.240 28.935 28.738 -0.070 0.000 0.967 106 Q HN 0.555 nan 8.270 nan 0.000 0.486 107 V N -0.098 119.811 119.914 -0.008 0.000 2.502 107 V HA -0.155 3.967 4.120 0.003 0.000 0.234 107 V C 2.019 178.119 176.094 0.011 0.000 1.072 107 V CA 1.144 63.459 62.300 0.026 0.000 1.094 107 V CB -0.760 31.101 31.823 0.064 0.000 0.761 107 V HN 0.300 nan 8.190 nan 0.000 0.489 108 Q N 1.638 121.441 119.800 0.004 0.000 2.265 108 Q HA -0.336 4.006 4.340 0.003 0.000 0.219 108 Q C 1.757 177.756 176.000 -0.001 0.000 1.031 108 Q CA 2.859 58.661 55.803 -0.001 0.000 0.949 108 Q CB -0.745 27.988 28.738 -0.008 0.000 1.022 108 Q HN 0.730 nan 8.270 nan 0.000 0.419 109 N N -0.220 118.478 118.700 -0.003 0.000 2.025 109 N HA -0.156 4.586 4.740 0.003 0.000 0.194 109 N C 1.344 176.854 175.510 -0.000 0.000 1.044 109 N CA 1.608 54.657 53.050 -0.003 0.000 0.851 109 N CB -0.421 38.063 38.487 -0.004 0.000 1.036 109 N HN 0.250 nan 8.380 nan 0.000 0.422 110 K N 0.817 121.219 120.400 0.002 0.000 2.442 110 K HA -0.081 4.241 4.320 0.003 0.000 0.199 110 K C 1.839 178.440 176.600 0.001 0.000 1.044 110 K CA 0.254 56.542 56.287 0.003 0.000 0.941 110 K CB -0.310 32.194 32.500 0.006 0.000 0.759 110 K HN 0.174 nan 8.250 nan 0.000 0.472 111 L N 0.945 122.169 121.223 0.002 0.000 2.102 111 L HA -0.064 4.278 4.340 0.003 0.000 0.202 111 L C 2.561 179.432 176.870 0.000 0.000 1.076 111 L CA 1.490 56.331 54.840 0.001 0.000 0.761 111 L CB -0.476 41.584 42.059 0.002 0.000 0.921 111 L HN 0.140 nan 8.230 nan 0.000 0.444 112 Q N -0.315 119.485 119.800 -0.000 0.000 2.084 112 Q HA -0.184 4.158 4.340 0.003 0.000 0.202 112 Q C 1.828 177.828 176.000 -0.000 0.000 0.978 112 Q CA 1.754 57.556 55.803 -0.000 0.000 0.844 112 Q CB -0.297 28.440 28.738 -0.002 0.000 0.898 112 Q HN 0.581 nan 8.270 nan 0.000 0.426 113 L N -0.081 121.142 121.223 -0.001 0.000 2.784 113 L HA -0.070 4.272 4.340 0.003 0.000 0.247 113 L C 1.320 178.189 176.870 -0.001 0.000 1.162 113 L CA 0.572 55.412 54.840 -0.001 0.000 0.881 113 L CB -0.338 41.720 42.059 -0.001 0.000 1.032 113 L HN 0.325 nan 8.230 nan 0.000 0.446 114 A N -1.589 121.231 122.820 -0.000 0.000 2.212 114 A HA 0.093 4.415 4.320 0.003 0.000 0.169 114 A C 1.719 179.305 177.584 0.002 0.000 1.802 114 A CA -0.208 51.829 52.037 -0.000 0.000 1.344 114 A CB -0.163 18.835 19.000 -0.003 0.000 1.566 114 A HN 0.218 nan 8.150 nan 0.000 0.419 115 M N 0.686 120.288 119.600 0.004 0.000 2.446 115 M HA -0.016 4.466 4.480 0.003 0.000 0.263 115 M C -1.384 174.922 176.300 0.011 0.000 1.066 115 M CA 1.427 56.732 55.300 0.008 0.000 1.087 115 M CB -0.453 32.151 32.600 0.007 0.000 1.406 115 M HN 0.163 nan 8.290 nan 0.000 0.459 116 P HA -0.058 nan 4.420 nan 0.000 0.234 116 P C 0.871 178.179 177.300 0.014 0.000 1.167 116 P CA 0.985 64.091 63.100 0.010 0.000 0.763 116 P CB -0.051 31.653 31.700 0.007 0.000 0.835 117 L N -2.161 119.069 121.223 0.012 0.000 2.416 117 L HA 0.111 4.452 4.340 0.003 0.000 0.216 117 L C 1.066 177.948 176.870 0.020 0.000 1.098 117 L CA -0.054 54.794 54.840 0.013 0.000 0.840 117 L CB -0.388 41.674 42.059 0.005 0.000 0.981 117 L HN -0.063 nan 8.230 nan 0.000 0.462 118 L N 1.844 123.082 121.223 0.025 0.000 2.483 118 L HA 0.101 4.443 4.340 0.003 0.000 0.275 118 L C -1.804 175.108 176.870 0.071 0.000 1.220 118 L CA -1.753 53.112 54.840 0.042 0.000 0.833 118 L CB -0.513 41.573 42.059 0.045 0.000 1.102 118 L HN -0.120 nan 8.230 nan 0.000 0.490 119 P HA -0.057 nan 4.420 nan 0.000 0.264 119 P C -0.056 177.335 177.300 0.150 0.000 1.183 119 P CA 0.150 63.365 63.100 0.192 0.000 0.763 119 P CB 0.550 32.492 31.700 0.404 0.000 0.807 120 Q N 1.845 121.705 119.800 0.099 0.000 2.156 120 Q HA -0.267 4.075 4.340 0.003 0.000 0.211 120 Q C 1.720 177.733 176.000 0.022 0.000 0.995 120 Q CA 2.140 57.975 55.803 0.052 0.000 0.877 120 Q CB -0.335 28.429 28.738 0.043 0.000 0.920 120 Q HN 0.579 nan 8.270 nan 0.000 0.416 121 E N 0.009 120.200 120.200 -0.016 0.000 2.058 121 E HA -0.164 4.188 4.350 0.003 0.000 0.194 121 E C 2.063 178.609 176.600 -0.090 0.000 0.997 121 E CA 1.417 57.740 56.400 -0.127 0.000 0.801 121 E CB -0.232 29.230 29.700 -0.397 0.000 0.746 121 E HN 0.122 nan 8.360 nan 0.000 0.450 122 V N 1.062 120.998 119.914 0.036 0.000 2.307 122 V HA -0.299 3.822 4.120 0.003 0.000 0.245 122 V C 2.225 178.338 176.094 0.032 0.000 1.045 122 V CA 1.953 64.312 62.300 0.099 0.000 1.024 122 V CB -0.652 31.310 31.823 0.233 0.000 0.651 122 V HN 0.273 nan 8.190 nan 0.000 0.449 123 Q N -0.207 119.612 119.800 0.031 0.000 2.014 123 Q HA -0.350 3.992 4.340 0.003 0.000 0.207 123 Q C 2.393 178.377 176.000 -0.028 0.000 0.993 123 Q CA 2.351 58.158 55.803 0.007 0.000 0.850 123 Q CB -0.363 28.384 28.738 0.014 0.000 0.916 123 Q HN 0.678 nan 8.270 nan 0.000 0.417 124 Q N 0.267 120.042 119.800 -0.043 0.000 2.096 124 Q HA -0.259 4.083 4.340 0.003 0.000 0.208 124 Q C 2.199 178.075 176.000 -0.206 0.000 0.993 124 Q CA 1.483 57.235 55.803 -0.086 0.000 0.862 124 Q CB 0.073 28.772 28.738 -0.066 0.000 0.915 124 Q HN 0.373 nan 8.270 nan 0.000 0.416 125 Q N -0.755 118.908 119.800 -0.229 0.000 2.170 125 Q HA -0.022 4.320 4.340 0.003 0.000 0.203 125 Q C 0.497 176.396 176.000 -0.168 0.000 0.976 125 Q CA 1.231 56.868 55.803 -0.276 0.000 0.858 125 Q CB 0.050 28.692 28.738 -0.160 0.000 0.907 125 Q HN 0.521 nan 8.270 nan 0.000 0.433 126 G N 0.200 108.940 108.800 -0.100 0.000 3.434 126 G HA2 -0.120 3.842 3.960 0.003 0.000 0.686 126 G HA3 -0.120 3.842 3.960 0.003 0.000 0.686 126 G C -0.471 174.410 174.900 -0.032 0.000 1.099 126 G CA -0.291 44.774 45.100 -0.060 0.000 0.931 126 G HN 0.063 nan 8.290 nan 0.000 0.520 127 V N 1.966 121.871 119.914 -0.016 0.000 2.811 127 V HA 0.661 4.783 4.120 0.003 0.000 0.302 127 V C 1.006 177.096 176.094 -0.007 0.000 1.063 127 V CA 0.296 62.593 62.300 -0.004 0.000 1.088 127 V CB 1.475 33.299 31.823 0.001 0.000 0.982 127 V HN 0.988 nan 8.190 nan 0.000 0.485 128 S N 1.615 117.314 115.700 -0.002 0.000 2.671 128 S HA 0.898 5.370 4.470 0.003 0.000 0.299 128 S C -0.822 173.778 174.600 -0.000 0.000 1.116 128 S CA -0.659 57.538 58.200 -0.005 0.000 0.912 128 S CB 2.168 65.365 63.200 -0.005 0.000 1.130 128 S HN 0.592 nan 8.310 nan 0.000 0.501 129 V N 1.340 121.252 119.914 -0.002 0.000 2.924 129 V HA 0.605 4.727 4.120 0.003 0.000 0.300 129 V C -0.610 175.484 176.094 -0.001 0.000 1.227 129 V CA -0.879 61.422 62.300 0.002 0.000 0.954 129 V CB 1.588 33.412 31.823 0.002 0.000 1.055 129 V HN 1.080 nan 8.190 nan 0.000 0.429 130 E N 2.835 123.037 120.200 0.003 0.000 2.391 130 E HA 0.707 5.058 4.350 0.003 0.000 0.256 130 E C -1.654 174.950 176.600 0.007 0.000 0.975 130 E CA -1.285 55.115 56.400 -0.001 0.000 0.881 130 E CB 2.392 32.089 29.700 -0.005 0.000 1.728 130 E HN 0.497 nan 8.360 nan 0.000 0.446 131 K N 0.179 120.581 120.400 0.003 0.000 2.328 131 K HA 0.540 4.862 4.320 0.003 0.000 0.246 131 K C -1.358 175.249 176.600 0.010 0.000 0.955 131 K CA -1.007 55.286 56.287 0.010 0.000 0.817 131 K CB 2.276 34.775 32.500 -0.001 0.000 1.208 131 K HN 0.467 nan 8.250 nan 0.000 0.432 132 S N 0.878 116.591 115.700 0.022 0.000 2.498 132 S HA 0.475 4.947 4.470 0.003 0.000 0.317 132 S C -0.740 173.881 174.600 0.035 0.000 1.090 132 S CA -0.789 57.423 58.200 0.020 0.000 1.089 132 S CB 1.538 64.755 63.200 0.029 0.000 0.997 132 S HN 0.494 nan 8.310 nan 0.000 0.470 133 S N 1.327 117.047 115.700 0.033 0.000 2.841 133 S HA 0.599 5.071 4.470 0.003 0.000 0.318 133 S C -0.160 174.505 174.600 0.108 0.000 1.127 133 S CA -1.020 57.227 58.200 0.078 0.000 0.883 133 S CB 1.008 64.246 63.200 0.064 0.000 1.271 133 S HN 0.905 nan 8.310 nan 0.000 0.567 134 S N 2.184 118.019 115.700 0.225 0.000 3.074 134 S HA 0.031 4.502 4.470 0.003 0.000 0.359 134 S C 0.333 175.030 174.600 0.162 0.000 1.207 134 S CA -0.391 57.979 58.200 0.284 0.000 1.061 134 S CB -0.908 62.645 63.200 0.588 0.000 0.769 134 S HN 0.803 nan 8.310 nan 0.000 0.512 135 S N 3.156 118.930 115.700 0.123 0.000 2.564 135 S HA 0.433 4.905 4.470 0.003 0.000 0.278 135 S C -0.039 174.728 174.600 0.277 0.000 1.333 135 S CA -1.002 57.203 58.200 0.008 0.000 1.048 135 S CB -0.624 62.594 63.200 0.030 0.000 0.900 135 S HN 0.906 nan 8.310 nan 0.000 0.505 136 F N 0.740 120.826 119.950 0.227 0.000 2.106 136 F HA -0.163 4.366 4.527 0.003 0.000 0.133 136 F C 1.034 177.039 175.800 0.341 0.000 1.007 136 F CA -0.043 58.117 58.000 0.265 0.000 0.706 136 F CB -1.757 37.420 39.000 0.296 0.000 0.684 136 F HN 0.568 nan 8.300 nan 0.000 0.778 137 L N 2.609 124.060 121.223 0.381 0.000 2.197 137 L HA -0.111 4.231 4.340 0.003 0.000 0.215 137 L C 0.997 178.015 176.870 0.246 0.000 1.095 137 L CA 2.343 57.347 54.840 0.273 0.000 0.764 137 L CB -0.251 41.916 42.059 0.180 0.000 0.897 137 L HN 0.689 nan 8.230 nan 0.000 0.436 138 M N -3.624 116.161 119.600 0.309 0.000 2.394 138 M HA 0.315 4.796 4.480 0.003 0.000 0.246 138 M C -1.427 175.025 176.300 0.253 0.000 0.967 138 M CA -0.510 54.927 55.300 0.228 0.000 0.835 138 M CB 0.765 33.449 32.600 0.140 0.000 2.169 138 M HN -0.383 nan 8.290 nan 0.000 0.479 139 V N 3.453 123.512 119.914 0.242 0.000 2.270 139 V HA 0.413 4.534 4.120 0.003 0.000 0.263 139 V C 0.220 176.198 176.094 -0.192 0.000 1.066 139 V CA -0.675 61.645 62.300 0.034 0.000 0.857 139 V CB 0.700 32.447 31.823 -0.127 0.000 1.099 139 V HN 0.754 nan 8.190 nan 0.000 0.476 140 V N 3.841 123.654 119.914 -0.169 0.000 2.715 140 V HA 0.632 4.754 4.120 0.003 0.000 0.299 140 V C 1.004 176.844 176.094 -0.424 0.000 1.054 140 V CA 0.406 62.491 62.300 -0.359 0.000 1.077 140 V CB 1.408 33.028 31.823 -0.338 0.000 0.972 140 V HN 0.873 nan 8.190 nan 0.000 0.484 141 G N 2.923 111.398 108.800 -0.542 0.000 2.519 141 G HA2 0.659 4.621 3.960 0.003 0.000 0.307 141 G HA3 0.659 4.621 3.960 0.003 0.000 0.307 141 G C -1.396 173.276 174.900 -0.381 0.000 1.266 141 G CA -0.522 44.305 45.100 -0.455 0.000 0.970 141 G HN 0.568 nan 8.290 nan 0.000 0.481 142 V N 0.656 120.430 119.914 -0.233 0.000 2.667 142 V HA 0.720 4.842 4.120 0.003 0.000 0.308 142 V C -0.577 175.428 176.094 -0.149 0.000 1.048 142 V CA -0.572 61.613 62.300 -0.192 0.000 0.928 142 V CB 1.497 33.239 31.823 -0.135 0.000 1.004 142 V HN 0.619 nan 8.190 nan 0.000 0.444 143 I N 2.608 123.112 120.570 -0.110 0.000 2.913 143 I HA 0.404 4.575 4.170 0.003 0.000 0.302 143 I C -0.607 175.499 176.117 -0.018 0.000 1.246 143 I CA -0.758 60.523 61.300 -0.032 0.000 1.010 143 I CB 2.385 40.428 38.000 0.071 0.000 1.259 143 I HN 0.727 nan 8.210 nan 0.000 0.434 144 N N 2.332 121.034 118.700 0.003 0.000 2.444 144 N HA 0.229 4.971 4.740 0.003 0.000 0.271 144 N C 0.050 175.589 175.510 0.048 0.000 1.069 144 N CA -0.356 52.706 53.050 0.020 0.000 0.965 144 N CB 1.500 40.002 38.487 0.025 0.000 1.092 144 N HN 0.619 nan 8.380 nan 0.000 0.476 145 T N -0.047 114.540 114.554 0.055 0.000 2.781 145 T HA -0.099 4.252 4.350 0.003 0.000 0.252 145 T C 0.261 174.990 174.700 0.049 0.000 1.039 145 T CA 0.902 63.035 62.100 0.055 0.000 1.147 145 T CB -0.257 68.643 68.868 0.054 0.000 0.865 145 T HN 0.584 nan 8.240 nan 0.000 0.423 146 D N 1.841 122.273 120.400 0.053 0.000 2.358 146 D HA 0.180 4.822 4.640 0.003 0.000 0.258 146 D C 0.642 176.975 176.300 0.055 0.000 1.223 146 D CA -0.237 53.791 54.000 0.046 0.000 0.886 146 D CB 0.700 41.522 40.800 0.038 0.000 1.120 146 D HN 0.286 nan 8.370 nan 0.000 0.482 147 G N 3.364 112.189 108.800 0.043 0.000 2.800 147 G HA2 -0.014 3.947 3.960 0.003 0.000 0.268 147 G HA3 -0.014 3.947 3.960 0.003 0.000 0.268 147 G C 0.629 175.560 174.900 0.051 0.000 0.707 147 G CA -0.023 45.103 45.100 0.042 0.000 2.070 147 G HN 0.495 nan 8.290 nan 0.000 0.579 148 T N 1.318 115.915 114.554 0.072 0.000 3.231 148 T HA 0.280 4.632 4.350 0.003 0.000 0.292 148 T C 0.519 175.288 174.700 0.116 0.000 1.001 148 T CA -0.230 61.927 62.100 0.094 0.000 0.920 148 T CB 0.116 69.051 68.868 0.111 0.000 1.140 148 T HN 0.236 nan 8.240 nan 0.000 0.525 149 M N 1.834 121.479 119.600 0.076 0.000 2.383 149 M HA 0.426 4.907 4.480 0.003 0.000 0.325 149 M C 0.027 176.343 176.300 0.026 0.000 1.092 149 M CA -0.420 54.906 55.300 0.043 0.000 0.961 149 M CB 1.449 34.038 32.600 -0.017 0.000 1.672 149 M HN -0.102 nan 8.290 nan 0.000 0.438 150 T N 1.441 116.014 114.554 0.031 0.000 2.849 150 T HA 0.134 4.485 4.350 0.003 0.000 0.284 150 T C 1.416 176.107 174.700 -0.015 0.000 1.004 150 T CA -0.542 61.577 62.100 0.032 0.000 1.021 150 T CB 0.889 69.808 68.868 0.085 0.000 1.013 150 T HN 0.469 nan 8.240 nan 0.000 0.527 151 Q N 0.672 120.462 119.800 -0.015 0.000 2.297 151 Q HA -0.124 4.217 4.340 0.003 0.000 0.208 151 Q C 1.395 177.344 176.000 -0.085 0.000 0.981 151 Q CA 1.591 57.363 55.803 -0.051 0.000 0.876 151 Q CB 0.016 28.728 28.738 -0.044 0.000 0.921 151 Q HN 0.669 nan 8.270 nan 0.000 0.446 152 E N -0.509 119.647 120.200 -0.074 0.000 2.330 152 E HA -0.024 4.327 4.350 0.003 0.000 0.200 152 E C 1.231 177.666 176.600 -0.275 0.000 0.922 152 E CA 0.325 56.639 56.400 -0.143 0.000 0.935 152 E CB 0.163 29.828 29.700 -0.059 0.000 0.917 152 E HN 0.184 nan 8.360 nan 0.000 0.491 153 D N 0.790 121.064 120.400 -0.209 0.000 2.182 153 D HA -0.134 4.507 4.640 0.003 0.000 0.201 153 D C 1.449 177.597 176.300 -0.253 0.000 0.986 153 D CA 0.792 54.622 54.000 -0.284 0.000 0.847 153 D CB 0.002 40.763 40.800 -0.065 0.000 0.942 153 D HN 0.139 nan 8.370 nan 0.000 0.467 154 I N 0.432 120.883 120.570 -0.198 0.000 2.546 154 I HA -0.085 4.086 4.170 0.003 0.000 0.255 154 I C 2.000 178.042 176.117 -0.126 0.000 1.163 154 I CA 0.764 61.961 61.300 -0.172 0.000 1.457 154 I CB -0.976 36.938 38.000 -0.144 0.000 1.092 154 I HN -0.111 nan 8.210 nan 0.000 0.434 155 S N 0.139 115.748 115.700 -0.153 0.000 2.377 155 S HA -0.136 4.335 4.470 0.003 0.000 0.223 155 S C 1.787 176.293 174.600 -0.157 0.000 1.030 155 S CA 0.872 58.997 58.200 -0.126 0.000 0.970 155 S CB -0.107 63.020 63.200 -0.120 0.000 0.830 155 S HN 0.480 nan 8.310 nan 0.000 0.473 156 D N 0.423 120.652 120.400 -0.285 0.000 2.088 156 D HA -0.185 4.456 4.640 0.003 0.000 0.191 156 D C 1.830 178.031 176.300 -0.166 0.000 0.992 156 D CA 1.260 55.059 54.000 -0.335 0.000 0.831 156 D CB -0.239 40.071 40.800 -0.818 0.000 0.973 156 D HN 0.396 nan 8.370 nan 0.000 0.447 157 Y N 1.279 121.424 120.300 -0.258 0.000 2.151 157 Y HA -0.262 4.290 4.550 0.003 0.000 0.284 157 Y C 2.396 178.202 175.900 -0.156 0.000 1.166 157 Y CA 1.533 59.513 58.100 -0.200 0.000 1.163 157 Y CB -0.346 37.932 38.460 -0.302 0.000 0.974 157 Y HN -0.125 nan 8.280 nan 0.000 0.511 158 V N 0.010 119.919 119.914 -0.008 0.000 2.392 158 V HA -0.358 3.763 4.120 0.003 0.000 0.249 158 V C 2.568 178.601 176.094 -0.102 0.000 1.059 158 V CA 1.775 64.047 62.300 -0.047 0.000 1.051 158 V CB -1.510 30.293 31.823 -0.034 0.000 0.658 158 V HN 0.573 nan 8.190 nan 0.000 0.455 159 A N -0.540 122.215 122.820 -0.108 0.000 2.067 159 A HA 0.073 4.395 4.320 0.003 0.000 0.219 159 A C 2.246 179.760 177.584 -0.116 0.000 1.158 159 A CA 1.850 53.829 52.037 -0.097 0.000 0.661 159 A CB -0.368 18.582 19.000 -0.083 0.000 0.801 159 A HN 0.577 nan 8.150 nan 0.000 0.452 160 A N 0.068 122.784 122.820 -0.173 0.000 2.085 160 A HA 0.090 4.411 4.320 0.003 0.000 0.208 160 A C 1.744 179.203 177.584 -0.209 0.000 1.191 160 A CA 1.228 53.158 52.037 -0.179 0.000 0.799 160 A CB -0.128 18.758 19.000 -0.191 0.000 0.877 160 A HN 0.663 nan 8.150 nan 0.000 0.473 161 N N -1.080 117.452 118.700 -0.280 0.000 2.606 161 N HA 0.093 4.834 4.740 0.003 0.000 0.208 161 N C 1.521 176.926 175.510 -0.174 0.000 1.046 161 N CA 1.113 54.007 53.050 -0.261 0.000 0.891 161 N CB -0.495 37.753 38.487 -0.400 0.000 1.344 161 N HN 0.337 nan 8.380 nan 0.000 0.437 162 M N 0.854 120.364 119.600 -0.151 0.000 2.102 162 M HA 0.086 4.567 4.480 0.003 0.000 0.259 162 M C 2.309 178.569 176.300 -0.066 0.000 1.083 162 M CA 1.175 56.422 55.300 -0.089 0.000 1.141 162 M CB -0.330 32.233 32.600 -0.060 0.000 1.318 162 M HN 0.124 nan 8.290 nan 0.000 0.421 163 K N 0.892 121.254 120.400 -0.064 0.000 2.032 163 K HA -0.257 4.064 4.320 0.003 0.000 0.218 163 K C 1.264 177.837 176.600 -0.044 0.000 1.054 163 K CA 2.384 58.644 56.287 -0.045 0.000 0.941 163 K CB -0.225 32.245 32.500 -0.050 0.000 0.720 163 K HN 0.246 nan 8.250 nan 0.000 0.449 164 D N -0.276 120.089 120.400 -0.058 0.000 2.350 164 D HA -0.068 4.573 4.640 0.003 0.000 0.216 164 D C 1.500 177.770 176.300 -0.050 0.000 0.968 164 D CA 0.968 54.937 54.000 -0.052 0.000 0.894 164 D CB -0.001 40.763 40.800 -0.059 0.000 0.909 164 D HN 0.417 nan 8.370 nan 0.000 0.520 165 A N 1.110 123.895 122.820 -0.058 0.000 2.066 165 A HA -0.042 4.280 4.320 0.003 0.000 0.218 165 A C 2.208 179.773 177.584 -0.030 0.000 1.157 165 A CA 0.437 52.441 52.037 -0.055 0.000 0.670 165 A CB -0.731 18.225 19.000 -0.073 0.000 0.804 165 A HN 0.409 nan 8.150 nan 0.000 0.453 166 I N -2.000 118.558 120.570 -0.021 0.000 2.130 166 I HA -0.322 3.849 4.170 0.003 0.000 0.241 166 I C 1.411 177.530 176.117 0.003 0.000 1.023 166 I CA 2.296 63.595 61.300 -0.001 0.000 1.293 166 I CB -0.924 37.078 38.000 0.003 0.000 1.001 166 I HN 0.114 nan 8.210 nan 0.000 0.407 167 S N 0.795 116.492 115.700 -0.005 0.000 2.967 167 S HA 0.102 4.573 4.470 0.003 0.000 0.254 167 S C 1.286 175.883 174.600 -0.005 0.000 1.089 167 S CA 0.019 58.217 58.200 -0.003 0.000 1.183 167 S CB -0.431 62.765 63.200 -0.007 0.000 0.848 167 S HN 0.428 nan 8.310 nan 0.000 0.477 168 R N 1.805 122.303 120.500 -0.003 0.000 2.161 168 R HA 0.085 4.427 4.340 0.003 0.000 0.213 168 R C 0.792 177.096 176.300 0.006 0.000 1.055 168 R CA 0.871 56.969 56.100 -0.003 0.000 0.996 168 R CB -0.795 29.501 30.300 -0.007 0.000 0.901 168 R HN 0.227 nan 8.270 nan 0.000 0.456 169 T N -0.248 114.314 114.554 0.013 0.000 2.667 169 T HA -0.015 4.337 4.350 0.003 0.000 0.305 169 T C 1.350 176.058 174.700 0.012 0.000 1.022 169 T CA 0.429 62.540 62.100 0.018 0.000 0.995 169 T CB 0.991 69.876 68.868 0.027 0.000 1.026 169 T HN 0.421 nan 8.240 nan 0.000 0.527 170 S N -0.699 115.008 115.700 0.012 0.000 2.402 170 S HA 0.181 4.653 4.470 0.003 0.000 0.229 170 S C 0.953 175.556 174.600 0.005 0.000 1.021 170 S CA 0.351 58.556 58.200 0.007 0.000 0.974 170 S CB -0.161 63.044 63.200 0.007 0.000 0.800 170 S HN 1.036 nan 8.310 nan 0.000 0.484 171 G N -0.416 108.389 108.800 0.009 0.000 2.718 171 G HA2 0.597 4.559 3.960 0.003 0.000 0.295 171 G HA3 0.597 4.559 3.960 0.003 0.000 0.295 171 G C -1.507 173.401 174.900 0.013 0.000 1.421 171 G CA -0.537 44.568 45.100 0.007 0.000 0.902 171 G HN 0.210 nan 8.290 nan 0.000 0.501 172 V N -0.552 119.368 119.914 0.010 0.000 3.105 172 V HA 0.952 5.074 4.120 0.003 0.000 0.311 172 V C 0.842 176.945 176.094 0.014 0.000 1.287 172 V CA 0.025 62.335 62.300 0.017 0.000 1.066 172 V CB 2.137 33.968 31.823 0.013 0.000 1.105 172 V HN 1.176 nan 8.190 nan 0.000 0.462 173 G N -0.757 108.055 108.800 0.020 0.000 2.705 173 G HA2 0.461 4.423 3.960 0.003 0.000 0.299 173 G HA3 0.461 4.423 3.960 0.003 0.000 0.299 173 G C -0.170 174.731 174.900 0.002 0.000 1.315 173 G CA -0.128 44.981 45.100 0.015 0.000 1.045 173 G HN 0.615 nan 8.290 nan 0.000 0.517 174 D N -1.190 119.206 120.400 -0.006 0.000 2.106 174 D HA 0.014 4.656 4.640 0.003 0.000 0.203 174 D C 0.863 177.149 176.300 -0.024 0.000 0.977 174 D CA 1.059 55.050 54.000 -0.016 0.000 0.844 174 D CB 0.002 40.790 40.800 -0.020 0.000 1.002 174 D HN 0.085 nan 8.370 nan 0.000 0.461 175 V N 0.409 120.302 119.914 -0.035 0.000 2.735 175 V HA 0.452 4.573 4.120 0.003 0.000 0.310 175 V C -1.114 174.958 176.094 -0.038 0.000 1.061 175 V CA -0.619 61.651 62.300 -0.050 0.000 0.913 175 V CB 2.017 33.795 31.823 -0.075 0.000 1.005 175 V HN 0.151 nan 8.190 nan 0.000 0.428 176 Q N 4.693 124.465 119.800 -0.048 0.000 2.443 176 Q HA 0.836 5.178 4.340 0.003 0.000 0.258 176 Q C -1.378 174.571 176.000 -0.084 0.000 0.967 176 Q CA -0.734 55.063 55.803 -0.011 0.000 0.951 176 Q CB 2.646 31.412 28.738 0.046 0.000 1.459 176 Q HN 0.627 nan 8.270 nan 0.000 0.415 177 L N 0.984 122.116 121.223 -0.152 0.000 3.217 177 L HA 0.635 4.977 4.340 0.003 0.000 0.219 177 L C -2.200 174.350 176.870 -0.534 0.000 0.997 177 L CA -0.317 54.407 54.840 -0.193 0.000 1.078 177 L CB 1.077 43.012 42.059 -0.206 0.000 1.451 177 L HN 0.722 nan 8.230 nan 0.000 0.409 178 F N 1.071 120.984 119.950 -0.061 0.000 2.877 178 F HA 0.788 5.317 4.527 0.003 0.000 0.319 178 F C 0.890 176.631 175.800 -0.098 0.000 1.174 178 F CA 0.402 58.341 58.000 -0.103 0.000 0.903 178 F CB 1.017 39.944 39.000 -0.121 0.000 1.357 178 F HN 1.076 nan 8.300 nan 0.000 0.472 179 G N 0.917 109.764 108.800 0.078 0.000 2.498 179 G HA2 0.163 4.125 3.960 0.003 0.000 0.251 179 G HA3 0.163 4.125 3.960 0.003 0.000 0.251 179 G C -0.438 174.436 174.900 -0.044 0.000 1.170 179 G CA -0.078 45.011 45.100 -0.020 0.000 0.944 179 G HN 1.523 nan 8.290 nan 0.000 0.567 180 S N -0.782 114.879 115.700 -0.065 0.000 2.388 180 S HA 0.380 4.851 4.470 0.003 0.000 0.279 180 S C -0.444 174.132 174.600 -0.041 0.000 0.987 180 S CA 0.757 58.932 58.200 -0.041 0.000 0.993 180 S CB 0.761 63.930 63.200 -0.052 0.000 1.207 180 S HN 1.053 nan 8.310 nan 0.000 0.425 181 Q N 3.825 123.619 119.800 -0.010 0.000 2.304 181 Q HA 0.032 4.374 4.340 0.003 0.000 0.315 181 Q C -0.476 175.596 176.000 0.120 0.000 1.075 181 Q CA 0.372 56.179 55.803 0.007 0.000 0.988 181 Q CB 0.235 28.992 28.738 0.032 0.000 1.146 181 Q HN 0.661 nan 8.270 nan 0.000 0.383 182 Y N 1.232 121.572 120.300 0.067 0.000 2.748 182 Y HA 0.094 4.646 4.550 0.003 0.000 0.352 182 Y C 0.443 176.448 175.900 0.175 0.000 1.274 182 Y CA 0.757 58.925 58.100 0.112 0.000 1.472 182 Y CB 0.272 38.810 38.460 0.130 0.000 1.350 182 Y HN 0.715 nan 8.280 nan 0.000 0.672 183 A N 1.887 124.941 122.820 0.390 0.000 2.547 183 A HA 0.473 4.794 4.320 0.003 0.000 0.298 183 A C -1.229 176.434 177.584 0.132 0.000 1.062 183 A CA -0.953 51.288 52.037 0.339 0.000 0.748 183 A CB 0.804 20.030 19.000 0.377 0.000 1.288 183 A HN 0.577 nan 8.150 nan 0.000 0.396 184 M N 3.122 122.697 119.600 -0.041 0.000 2.364 184 M HA 0.292 4.773 4.480 0.003 0.000 0.342 184 M C -0.090 175.931 176.300 -0.465 0.000 1.601 184 M CA 0.250 55.242 55.300 -0.515 0.000 1.156 184 M CB -0.410 31.414 32.600 -1.293 0.000 1.912 184 M HN 0.511 nan 8.290 nan 0.000 0.460 185 R N 6.176 126.404 120.500 -0.453 0.000 2.338 185 R HA 0.479 4.821 4.340 0.003 0.000 0.317 185 R C -0.820 175.039 176.300 -0.735 0.000 0.968 185 R CA -0.323 55.368 56.100 -0.681 0.000 0.849 185 R CB 0.628 30.370 30.300 -0.931 0.000 1.128 185 R HN 0.790 nan 8.270 nan 0.000 0.448 186 I N 3.524 123.689 120.570 -0.675 0.000 2.557 186 I HA 0.204 4.375 4.170 0.003 0.000 0.277 186 I C -0.373 175.559 176.117 -0.308 0.000 1.106 186 I CA -0.564 60.483 61.300 -0.421 0.000 1.180 186 I CB 0.432 38.237 38.000 -0.324 0.000 1.392 186 I HN 0.349 nan 8.210 nan 0.000 0.506 187 W N 5.760 127.023 121.300 -0.061 0.000 2.264 187 W HA 0.219 4.881 4.660 0.003 0.000 0.331 187 W C 0.687 177.195 176.519 -0.018 0.000 1.364 187 W CA -0.417 56.903 57.345 -0.043 0.000 1.253 187 W CB 0.266 29.702 29.460 -0.040 0.000 1.215 187 W HN 0.338 nan 8.180 nan 0.000 0.561 188 M N 1.894 121.633 119.600 0.232 0.000 2.321 188 M HA 0.331 4.813 4.480 0.003 0.000 0.216 188 M C 0.029 176.374 176.300 0.074 0.000 0.937 188 M CA -0.504 54.884 55.300 0.148 0.000 1.636 188 M CB 0.534 33.245 32.600 0.185 0.000 1.144 188 M HN 0.475 nan 8.290 nan 0.000 0.821 189 N N 0.095 118.750 118.700 -0.075 0.000 4.389 189 N HA 0.090 4.832 4.740 0.003 0.000 0.182 189 N C -2.751 172.299 175.510 -0.768 0.000 1.101 189 N CA -1.006 51.704 53.050 -0.566 0.000 1.036 189 N CB 0.780 39.111 38.487 -0.261 0.000 1.596 189 N HN 0.093 nan 8.380 nan 0.000 0.880 190 P HA -0.166 nan 4.420 nan 0.000 0.216 190 P C 0.826 177.789 177.300 -0.561 0.000 1.153 190 P CA 1.322 63.681 63.100 -1.235 0.000 0.858 190 P CB 0.355 30.959 31.700 -1.826 0.000 0.789 191 N N -0.007 118.376 118.700 -0.528 0.000 2.043 191 N HA -0.149 4.593 4.740 0.003 0.000 0.193 191 N C 1.698 177.101 175.510 -0.179 0.000 1.037 191 N CA 1.245 54.164 53.050 -0.218 0.000 0.851 191 N CB -0.725 37.707 38.487 -0.090 0.000 1.027 191 N HN 0.244 nan 8.380 nan 0.000 0.422 192 E N 1.343 121.448 120.200 -0.158 0.000 2.031 192 E HA -0.099 4.253 4.350 0.003 0.000 0.193 192 E C 2.409 178.994 176.600 -0.026 0.000 0.994 192 E CA 0.362 56.707 56.400 -0.092 0.000 0.800 192 E CB -0.685 29.043 29.700 0.047 0.000 0.752 192 E HN 0.335 nan 8.360 nan 0.000 0.447 193 L N 1.286 122.525 121.223 0.026 0.000 1.976 193 L HA -0.313 4.029 4.340 0.003 0.000 0.223 193 L C 2.473 179.378 176.870 0.059 0.000 1.081 193 L CA 1.837 56.741 54.840 0.106 0.000 0.784 193 L CB -0.750 41.370 42.059 0.102 0.000 0.896 193 L HN 0.187 nan 8.230 nan 0.000 0.438 194 N N 0.299 118.987 118.700 -0.019 0.000 2.137 194 N HA -0.264 4.478 4.740 0.003 0.000 0.190 194 N C 1.709 177.127 175.510 -0.154 0.000 1.017 194 N CA 1.782 54.774 53.050 -0.097 0.000 0.859 194 N CB -0.124 38.225 38.487 -0.230 0.000 1.002 194 N HN 0.227 nan 8.380 nan 0.000 0.428 195 K N -0.636 119.642 120.400 -0.205 0.000 1.991 195 K HA -0.132 4.190 4.320 0.003 0.000 0.212 195 K C 1.219 177.654 176.600 -0.275 0.000 1.049 195 K CA 1.564 57.657 56.287 -0.324 0.000 0.932 195 K CB -0.384 31.791 32.500 -0.541 0.000 0.717 195 K HN 0.237 nan 8.250 nan 0.000 0.441 196 F N 1.680 121.607 119.950 -0.038 0.000 2.795 196 F HA 0.061 4.589 4.527 0.003 0.000 0.303 196 F C 0.168 175.961 175.800 -0.012 0.000 1.186 196 F CA 0.209 58.197 58.000 -0.021 0.000 1.415 196 F CB -0.077 38.916 39.000 -0.011 0.000 1.106 196 F HN 0.206 nan 8.300 nan 0.000 0.558 197 Q N 0.209 120.069 119.800 0.100 0.000 2.475 197 Q HA -0.213 4.128 4.340 0.003 0.000 0.280 197 Q C -0.617 175.451 176.000 0.113 0.000 1.234 197 Q CA 0.288 56.136 55.803 0.075 0.000 0.873 197 Q CB -1.963 26.811 28.738 0.060 0.000 1.256 197 Q HN 0.491 nan 8.270 nan 0.000 0.475 198 L N -0.347 120.962 121.223 0.144 0.000 2.331 198 L HA 0.629 4.970 4.340 0.003 0.000 0.275 198 L C 0.527 177.495 176.870 0.163 0.000 1.022 198 L CA -0.609 54.316 54.840 0.141 0.000 0.812 198 L CB 1.902 44.044 42.059 0.139 0.000 1.257 198 L HN 0.037 nan 8.230 nan 0.000 0.435 199 T N 0.696 115.339 114.554 0.149 0.000 2.918 199 T HA 0.385 4.737 4.350 0.003 0.000 0.286 199 T C -2.029 172.756 174.700 0.142 0.000 1.026 199 T CA -2.022 60.182 62.100 0.174 0.000 1.031 199 T CB 1.857 70.816 68.868 0.151 0.000 1.046 199 T HN 0.261 nan 8.240 nan 0.000 0.479 200 P HA -0.102 nan 4.420 nan 0.000 0.217 200 P C 1.660 178.994 177.300 0.056 0.000 1.148 200 P CA 0.658 63.809 63.100 0.086 0.000 0.828 200 P CB -0.010 31.704 31.700 0.024 0.000 0.783 201 V N 0.589 120.543 119.914 0.066 0.000 2.219 201 V HA -0.322 3.799 4.120 0.003 0.000 0.248 201 V C 2.019 178.136 176.094 0.037 0.000 1.053 201 V CA 2.443 64.772 62.300 0.048 0.000 1.009 201 V CB -1.354 30.503 31.823 0.057 0.000 0.636 201 V HN 0.113 nan 8.190 nan 0.000 0.445 202 D N -0.187 120.241 120.400 0.047 0.000 2.191 202 D HA -0.193 4.449 4.640 0.003 0.000 0.190 202 D C 2.078 178.390 176.300 0.020 0.000 1.007 202 D CA 1.774 55.794 54.000 0.033 0.000 0.865 202 D CB -0.647 40.178 40.800 0.042 0.000 0.929 202 D HN 0.325 nan 8.370 nan 0.000 0.447 203 V N 1.160 121.089 119.914 0.024 0.000 2.214 203 V HA -0.259 3.863 4.120 0.003 0.000 0.245 203 V C 2.592 178.683 176.094 -0.006 0.000 1.047 203 V CA 1.666 63.971 62.300 0.008 0.000 0.998 203 V CB -0.566 31.266 31.823 0.013 0.000 0.633 203 V HN 0.188 nan 8.190 nan 0.000 0.446 204 I N -0.170 120.394 120.570 -0.010 0.000 2.236 204 I HA -0.326 3.846 4.170 0.003 0.000 0.249 204 I C 2.470 178.577 176.117 -0.016 0.000 1.102 204 I CA 2.081 63.367 61.300 -0.024 0.000 1.365 204 I CB -0.840 37.151 38.000 -0.016 0.000 1.051 204 I HN 0.356 nan 8.210 nan 0.000 0.420 205 T N 0.486 115.039 114.554 -0.002 0.000 2.732 205 T HA -0.053 4.298 4.350 0.003 0.000 0.261 205 T C 2.057 176.756 174.700 -0.001 0.000 1.040 205 T CA 1.370 63.470 62.100 -0.000 0.000 1.145 205 T CB -0.288 68.584 68.868 0.007 0.000 0.866 205 T HN 0.488 nan 8.240 nan 0.000 0.427 206 A N 1.244 124.064 122.820 0.001 0.000 2.139 206 A HA -0.077 4.244 4.320 0.003 0.000 0.221 206 A C 2.045 179.636 177.584 0.011 0.000 1.159 206 A CA 1.076 53.113 52.037 0.000 0.000 0.662 206 A CB -0.664 18.334 19.000 -0.003 0.000 0.796 206 A HN 0.427 nan 8.150 nan 0.000 0.463 207 I N -0.550 120.028 120.570 0.014 0.000 2.270 207 I HA -0.111 4.061 4.170 0.003 0.000 0.239 207 I C 1.995 178.129 176.117 0.029 0.000 1.080 207 I CA 1.299 62.626 61.300 0.045 0.000 1.383 207 I CB -1.443 36.564 38.000 0.011 0.000 1.097 207 I HN 0.276 nan 8.210 nan 0.000 0.420 208 K N 0.979 121.378 120.400 -0.000 0.000 2.442 208 K HA -0.097 4.225 4.320 0.003 0.000 0.199 208 K C 1.881 178.478 176.600 -0.005 0.000 1.044 208 K CA 1.095 57.377 56.287 -0.008 0.000 0.941 208 K CB -0.012 32.478 32.500 -0.016 0.000 0.759 208 K HN 0.349 nan 8.250 nan 0.000 0.472 209 A N 1.178 123.996 122.820 -0.004 0.000 1.908 209 A HA -0.072 4.250 4.320 0.003 0.000 0.217 209 A C 1.649 179.223 177.584 -0.018 0.000 1.378 209 A CA 0.372 52.403 52.037 -0.010 0.000 0.613 209 A CB -0.357 18.638 19.000 -0.009 0.000 1.053 209 A HN 0.156 nan 8.150 nan 0.000 0.484 210 Q N -0.045 119.742 119.800 -0.022 0.000 2.515 210 Q HA -0.002 4.340 4.340 0.003 0.000 0.214 210 Q C -0.412 175.544 176.000 -0.073 0.000 0.971 210 Q CA 0.654 56.431 55.803 -0.044 0.000 0.952 210 Q CB -0.238 28.473 28.738 -0.046 0.000 0.999 210 Q HN 0.601 nan 8.270 nan 0.000 0.524 211 N N 0.098 118.766 118.700 -0.053 0.000 2.621 211 N HA 0.462 5.203 4.740 0.003 0.000 0.271 211 N C -1.903 173.592 175.510 -0.025 0.000 1.181 211 N CA -0.274 52.729 53.050 -0.079 0.000 0.805 211 N CB 1.269 39.696 38.487 -0.101 0.000 1.351 211 N HN -0.018 nan 8.380 nan 0.000 0.539 212 A N 2.471 125.274 122.820 -0.029 0.000 2.401 212 A HA 0.220 4.542 4.320 0.003 0.000 0.313 212 A C -0.940 176.635 177.584 -0.015 0.000 1.013 212 A CA -0.779 51.251 52.037 -0.011 0.000 1.034 212 A CB 0.591 19.586 19.000 -0.008 0.000 1.324 212 A HN 0.453 nan 8.150 nan 0.000 0.366 213 Q N 0.701 120.494 119.800 -0.011 0.000 2.348 213 Q HA 0.152 4.494 4.340 0.003 0.000 0.331 213 Q C -0.028 175.965 176.000 -0.012 0.000 1.099 213 Q CA 0.813 56.608 55.803 -0.013 0.000 1.021 213 Q CB 1.192 29.924 28.738 -0.010 0.000 1.166 213 Q HN 1.001 nan 8.270 nan 0.000 0.393 214 V N 0.947 120.853 119.914 -0.013 0.000 2.823 214 V HA 0.701 4.823 4.120 0.003 0.000 0.312 214 V C -1.119 174.970 176.094 -0.010 0.000 1.072 214 V CA -0.596 61.698 62.300 -0.011 0.000 0.937 214 V CB 2.074 33.889 31.823 -0.013 0.000 1.013 214 V HN 0.855 nan 8.190 nan 0.000 0.430 215 A N 4.789 127.604 122.820 -0.008 0.000 2.289 215 A HA 0.864 5.186 4.320 0.003 0.000 0.298 215 A C 0.142 177.721 177.584 -0.007 0.000 1.208 215 A CA 0.107 52.140 52.037 -0.007 0.000 0.845 215 A CB 1.029 20.026 19.000 -0.006 0.000 1.125 215 A HN 1.931 nan 8.150 nan 0.000 0.517 216 A N 3.188 126.003 122.820 -0.008 0.000 3.216 216 A HA 0.590 4.911 4.320 0.003 0.000 0.321 216 A C 1.084 178.664 177.584 -0.007 0.000 1.042 216 A CA 0.334 52.367 52.037 -0.007 0.000 0.838 216 A CB -0.628 18.367 19.000 -0.009 0.000 1.136 216 A HN 2.566 nan 8.150 nan 0.000 0.483 217 G N 1.292 110.089 108.800 -0.006 0.000 2.668 217 G HA2 -0.162 3.799 3.960 0.003 0.000 0.429 217 G HA3 -0.162 3.799 3.960 0.003 0.000 0.429 217 G C 0.283 175.180 174.900 -0.006 0.000 1.182 217 G CA 1.513 46.610 45.100 -0.005 0.000 0.911 217 G HN 1.971 nan 8.290 nan 0.000 0.631 218 Q N -2.385 117.412 119.800 -0.005 0.000 2.903 218 Q HA 0.467 4.809 4.340 0.003 0.000 0.277 218 Q C -1.277 174.720 176.000 -0.005 0.000 0.933 218 Q CA -1.048 54.752 55.803 -0.005 0.000 0.822 218 Q CB 0.469 29.204 28.738 -0.005 0.000 1.693 218 Q HN 0.657 nan 8.270 nan 0.000 0.447 219 L N 1.458 122.678 121.223 -0.005 0.000 2.360 219 L HA 0.488 4.830 4.340 0.003 0.000 0.276 219 L C 1.121 177.989 176.870 -0.004 0.000 1.121 219 L CA 0.948 55.786 54.840 -0.004 0.000 0.845 219 L CB 0.434 42.491 42.059 -0.004 0.000 1.143 219 L HN 1.099 nan 8.230 nan 0.000 0.452 220 G N 2.585 111.383 108.800 -0.004 0.000 2.256 220 G HA2 -0.158 3.804 3.960 0.003 0.000 0.272 220 G HA3 -0.158 3.804 3.960 0.003 0.000 0.272 220 G C 0.267 175.165 174.900 -0.003 0.000 1.076 220 G CA 0.033 45.131 45.100 -0.003 0.000 0.882 220 G HN 1.014 nan 8.290 nan 0.000 0.497 221 G N -1.470 107.328 108.800 -0.003 0.000 2.887 221 G HA2 0.976 4.938 3.960 0.003 0.000 0.277 221 G HA3 0.976 4.938 3.960 0.003 0.000 0.277 221 G C 1.026 175.924 174.900 -0.003 0.000 1.346 221 G CA 1.165 46.263 45.100 -0.003 0.000 1.058 221 G HN 2.024 nan 8.290 nan 0.000 0.535 222 T N -1.926 112.626 114.554 -0.003 0.000 5.912 222 T HA -0.272 4.080 4.350 0.003 0.000 0.194 222 T C -1.648 173.050 174.700 -0.003 0.000 1.594 222 T CA 1.132 63.230 62.100 -0.003 0.000 1.129 222 T CB -2.463 66.403 68.868 -0.003 0.000 1.298 222 T HN 0.768 nan 8.240 nan 0.000 0.378 223 P HA 0.327 nan 4.420 nan 0.000 0.244 223 P C -1.781 175.518 177.300 -0.002 0.000 1.723 223 P CA -0.997 62.102 63.100 -0.002 0.000 1.110 223 P CB -0.800 30.898 31.700 -0.002 0.000 1.972 224 P HA -0.037 nan 4.420 nan 0.000 0.276 224 P C -0.150 177.149 177.300 -0.002 0.000 1.264 224 P CA -0.076 63.022 63.100 -0.002 0.000 0.815 224 P CB 0.591 32.290 31.700 -0.002 0.000 1.121 225 V N 1.554 121.467 119.914 -0.002 0.000 2.406 225 V HA 0.084 4.206 4.120 0.003 0.000 0.272 225 V C 1.001 177.094 176.094 -0.002 0.000 1.043 225 V CA -0.679 61.620 62.300 -0.002 0.000 0.915 225 V CB 0.301 32.123 31.823 -0.002 0.000 0.988 225 V HN 0.448 nan 8.190 nan 0.000 0.466 226 K N 3.489 123.888 120.400 -0.002 0.000 2.600 226 K HA -0.002 4.320 4.320 0.003 0.000 0.280 226 K C 1.315 177.914 176.600 -0.002 0.000 0.971 226 K CA 1.099 57.385 56.287 -0.002 0.000 1.053 226 K CB -0.117 32.382 32.500 -0.002 0.000 0.856 226 K HN 1.232 nan 8.250 nan 0.000 0.495 227 G N 1.070 109.869 108.800 -0.002 0.000 2.157 227 G HA2 -0.295 3.667 3.960 0.003 0.000 0.248 227 G HA3 -0.295 3.667 3.960 0.003 0.000 0.248 227 G C 0.040 174.939 174.900 -0.002 0.000 0.979 227 G CA 0.544 45.643 45.100 -0.002 0.000 0.650 227 G HN 0.581 nan 8.290 nan 0.000 0.529 228 Q N 0.259 120.058 119.800 -0.002 0.000 2.261 228 Q HA 0.664 5.005 4.340 0.003 0.000 0.252 228 Q C 1.241 177.239 176.000 -0.002 0.000 0.915 228 Q CA -0.170 55.631 55.803 -0.002 0.000 0.915 228 Q CB 0.869 29.606 28.738 -0.002 0.000 1.204 228 Q HN 0.258 nan 8.270 nan 0.000 0.421 229 Q N 3.064 122.863 119.800 -0.002 0.000 2.391 229 Q HA 0.192 4.533 4.340 0.003 0.000 0.243 229 Q C -0.149 175.850 176.000 -0.002 0.000 0.874 229 Q CA 0.084 55.886 55.803 -0.002 0.000 0.950 229 Q CB 0.208 28.944 28.738 -0.002 0.000 1.103 229 Q HN 0.663 nan 8.270 nan 0.000 0.544 230 L N 0.359 121.581 121.223 -0.003 0.000 2.325 230 L HA 0.676 5.018 4.340 0.003 0.000 0.279 230 L C -0.605 176.263 176.870 -0.003 0.000 1.054 230 L CA -0.563 54.276 54.840 -0.003 0.000 0.804 230 L CB 1.060 43.117 42.059 -0.003 0.000 1.200 230 L HN -0.140 nan 8.230 nan 0.000 0.436 231 N N 2.869 121.567 118.700 -0.003 0.000 2.558 231 N HA 0.769 5.511 4.740 0.003 0.000 0.285 231 N C -1.708 173.800 175.510 -0.004 0.000 1.112 231 N CA 0.091 53.139 53.050 -0.003 0.000 0.857 231 N CB 1.791 40.276 38.487 -0.003 0.000 1.376 231 N HN 1.140 nan 8.380 nan 0.000 0.526 232 A N 1.953 124.770 122.820 -0.004 0.000 2.455 232 A HA 0.667 4.988 4.320 0.003 0.000 0.300 232 A C -0.414 177.167 177.584 -0.005 0.000 1.040 232 A CA -0.701 51.334 52.037 -0.005 0.000 0.697 232 A CB 0.885 19.882 19.000 -0.005 0.000 1.265 232 A HN 0.660 nan 8.150 nan 0.000 0.407 233 S N 1.535 117.232 115.700 -0.005 0.000 2.580 233 S HA 0.633 5.104 4.470 0.003 0.000 0.274 233 S C 0.091 174.687 174.600 -0.007 0.000 1.329 233 S CA -0.337 57.859 58.200 -0.006 0.000 1.036 233 S CB 0.307 63.504 63.200 -0.006 0.000 0.919 233 S HN 0.520 nan 8.310 nan 0.000 0.515 234 I N 1.740 122.306 120.570 -0.007 0.000 2.499 234 I HA 0.344 4.516 4.170 0.003 0.000 0.296 234 I C -0.420 175.692 176.117 -0.009 0.000 0.992 234 I CA -0.804 60.491 61.300 -0.008 0.000 1.297 234 I CB 0.822 38.817 38.000 -0.008 0.000 1.410 234 I HN 0.440 nan 8.210 nan 0.000 0.507 235 I N 4.507 125.071 120.570 -0.010 0.000 2.418 235 I HA 0.513 4.685 4.170 0.003 0.000 0.287 235 I C 0.398 176.507 176.117 -0.013 0.000 1.008 235 I CA -0.241 61.052 61.300 -0.012 0.000 1.104 235 I CB 1.038 39.031 38.000 -0.012 0.000 1.264 235 I HN 0.689 nan 8.210 nan 0.000 0.438 236 A N 5.919 128.730 122.820 -0.014 0.000 3.444 236 A HA 0.486 4.808 4.320 0.003 0.000 0.189 236 A C 0.197 177.769 177.584 -0.021 0.000 1.542 236 A CA -0.431 51.596 52.037 -0.017 0.000 0.867 236 A CB 0.222 19.213 19.000 -0.015 0.000 1.712 236 A HN 0.683 nan 8.150 nan 0.000 0.556 237 Q N -0.093 119.693 119.800 -0.024 0.000 2.326 237 Q HA 0.247 4.589 4.340 0.003 0.000 0.314 237 Q C 0.001 175.983 176.000 -0.030 0.000 1.091 237 Q CA 0.952 56.737 55.803 -0.031 0.000 0.974 237 Q CB 0.240 28.958 28.738 -0.033 0.000 1.220 237 Q HN 0.813 nan 8.270 nan 0.000 0.398 238 T N 1.314 115.847 114.554 -0.036 0.000 2.804 238 T HA 0.590 4.942 4.350 0.003 0.000 0.272 238 T C -0.076 174.600 174.700 -0.040 0.000 0.986 238 T CA -1.172 60.909 62.100 -0.032 0.000 0.999 238 T CB 0.985 69.836 68.868 -0.029 0.000 1.307 238 T HN 0.491 nan 8.240 nan 0.000 0.586 239 R N -0.124 120.360 120.500 -0.026 0.000 2.726 239 R HA 0.484 4.825 4.340 0.003 0.000 0.272 239 R C 0.000 176.274 176.300 -0.044 0.000 1.097 239 R CA -0.520 55.572 56.100 -0.014 0.000 1.198 239 R CB -0.081 30.231 30.300 0.019 0.000 1.114 239 R HN 0.595 nan 8.270 nan 0.000 0.550 240 L N -0.273 120.910 121.223 -0.066 0.000 2.358 240 L HA 0.397 4.738 4.340 0.003 0.000 0.268 240 L C 1.051 177.965 176.870 0.073 0.000 1.032 240 L CA -0.315 54.417 54.840 -0.179 0.000 0.805 240 L CB 1.705 43.340 42.059 -0.707 0.000 1.253 240 L HN 0.634 nan 8.230 nan 0.000 0.452 241 T N -1.759 112.822 114.554 0.045 0.000 3.409 241 T HA 0.027 4.378 4.350 0.003 0.000 0.242 241 T C 0.442 175.249 174.700 0.178 0.000 1.000 241 T CA -0.191 62.029 62.100 0.199 0.000 1.180 241 T CB 0.264 69.191 68.868 0.098 0.000 1.210 241 T HN 0.481 nan 8.240 nan 0.000 0.373 242 S N 2.648 118.389 115.700 0.069 0.000 2.593 242 S HA 0.007 4.478 4.470 0.003 0.000 0.300 242 S C 1.311 175.954 174.600 0.072 0.000 1.267 242 S CA 0.095 58.330 58.200 0.059 0.000 1.065 242 S CB 0.573 63.783 63.200 0.017 0.000 0.807 242 S HN 0.472 nan 8.310 nan 0.000 0.499 243 T N 2.554 117.157 114.554 0.081 0.000 2.897 243 T HA -0.153 4.199 4.350 0.003 0.000 0.271 243 T C 1.664 176.406 174.700 0.071 0.000 1.084 243 T CA 1.361 63.505 62.100 0.072 0.000 1.123 243 T CB -0.109 68.776 68.868 0.027 0.000 0.865 243 T HN 0.746 nan 8.240 nan 0.000 0.496 244 E N 1.091 121.317 120.200 0.044 0.000 2.033 244 E HA -0.123 4.228 4.350 0.003 0.000 0.189 244 E C 2.089 178.698 176.600 0.014 0.000 0.979 244 E CA 0.799 57.216 56.400 0.029 0.000 0.802 244 E CB 0.052 29.761 29.700 0.015 0.000 0.763 244 E HN 0.557 nan 8.360 nan 0.000 0.449 245 E N 0.124 120.305 120.200 -0.031 0.000 2.095 245 E HA -0.276 4.075 4.350 0.003 0.000 0.212 245 E C 1.955 178.498 176.600 -0.095 0.000 1.044 245 E CA 1.794 58.134 56.400 -0.100 0.000 0.857 245 E CB -0.546 29.037 29.700 -0.195 0.000 0.764 245 E HN 0.316 nan 8.360 nan 0.000 0.462 246 F N 0.782 120.679 119.950 -0.088 0.000 2.087 246 F HA -0.245 4.284 4.527 0.003 0.000 0.299 246 F C 2.662 178.407 175.800 -0.091 0.000 1.100 246 F CA 1.295 59.226 58.000 -0.114 0.000 1.226 246 F CB -0.639 38.253 39.000 -0.179 0.000 0.983 246 F HN 0.143 nan 8.300 nan 0.000 0.479 247 G N -0.815 108.061 108.800 0.125 0.000 2.450 247 G HA2 -0.242 3.720 3.960 0.003 0.000 0.220 247 G HA3 -0.242 3.720 3.960 0.003 0.000 0.220 247 G C 1.620 176.532 174.900 0.019 0.000 1.130 247 G CA 0.560 45.692 45.100 0.053 0.000 0.760 247 G HN 0.110 nan 8.290 nan 0.000 0.557 248 K N 0.179 120.581 120.400 0.003 0.000 2.525 248 K HA 0.212 4.534 4.320 0.003 0.000 0.192 248 K C 1.150 177.732 176.600 -0.031 0.000 1.029 248 K CA -0.340 55.935 56.287 -0.020 0.000 1.029 248 K CB -0.194 32.288 32.500 -0.030 0.000 0.814 248 K HN 0.351 nan 8.250 nan 0.000 0.503 249 I N 0.975 121.534 120.570 -0.018 0.000 3.466 249 I HA -0.193 3.979 4.170 0.003 0.000 0.272 249 I C 0.330 176.424 176.117 -0.038 0.000 1.305 249 I CA 0.048 61.334 61.300 -0.023 0.000 1.307 249 I CB 0.232 38.243 38.000 0.018 0.000 1.365 249 I HN -0.106 nan 8.210 nan 0.000 0.629 250 L N 4.534 125.732 121.223 -0.041 0.000 2.342 250 L HA 0.247 4.588 4.340 0.003 0.000 0.276 250 L C 0.076 176.912 176.870 -0.056 0.000 0.997 250 L CA 0.023 54.831 54.840 -0.054 0.000 0.838 250 L CB 1.120 43.151 42.059 -0.047 0.000 1.224 250 L HN 0.420 nan 8.230 nan 0.000 0.416 251 L N 2.980 124.153 121.223 -0.083 0.000 2.253 251 L HA 0.304 4.645 4.340 0.003 0.000 0.205 251 L C 0.733 177.558 176.870 -0.076 0.000 1.078 251 L CA 0.705 55.498 54.840 -0.079 0.000 0.805 251 L CB -0.429 41.564 42.059 -0.110 0.000 0.963 251 L HN 0.694 nan 8.230 nan 0.000 0.459 252 K N -1.078 119.260 120.400 -0.104 0.000 2.642 252 K HA 0.460 4.781 4.320 0.003 0.000 0.290 252 K C -1.999 174.555 176.600 -0.077 0.000 1.006 252 K CA -0.445 55.798 56.287 -0.073 0.000 0.869 252 K CB 2.388 34.853 32.500 -0.058 0.000 1.499 252 K HN -0.295 nan 8.250 nan 0.000 0.403 253 V N 3.534 123.425 119.914 -0.039 0.000 2.569 253 V HA 0.299 4.421 4.120 0.003 0.000 0.301 253 V C -0.087 176.006 176.094 -0.003 0.000 1.044 253 V CA -1.077 61.207 62.300 -0.027 0.000 0.874 253 V CB 1.383 33.193 31.823 -0.022 0.000 1.002 253 V HN 0.941 nan 8.190 nan 0.000 0.424 254 N N 4.571 123.278 118.700 0.012 0.000 2.386 254 N HA 0.101 4.842 4.740 0.003 0.000 0.291 254 N C 0.919 176.441 175.510 0.019 0.000 1.309 254 N CA -0.220 52.847 53.050 0.028 0.000 0.948 254 N CB 0.337 38.856 38.487 0.053 0.000 1.083 254 N HN 0.631 nan 8.380 nan 0.000 0.527 255 Q N -1.179 118.634 119.800 0.022 0.000 2.378 255 Q HA -0.003 4.339 4.340 0.003 0.000 0.205 255 Q C -0.225 175.783 176.000 0.013 0.000 0.954 255 Q CA 1.324 57.136 55.803 0.015 0.000 0.901 255 Q CB -0.546 28.201 28.738 0.015 0.000 0.981 255 Q HN 0.738 nan 8.270 nan 0.000 0.483 256 D N -0.418 119.992 120.400 0.016 0.000 2.561 256 D HA 0.225 4.867 4.640 0.003 0.000 0.232 256 D C 0.945 177.250 176.300 0.010 0.000 1.198 256 D CA 0.046 54.054 54.000 0.014 0.000 0.826 256 D CB -0.270 40.541 40.800 0.018 0.000 0.992 256 D HN 0.267 nan 8.370 nan 0.000 0.490 257 G N -0.288 108.516 108.800 0.006 0.000 2.216 257 G HA2 -0.338 3.623 3.960 0.003 0.000 0.269 257 G HA3 -0.338 3.623 3.960 0.003 0.000 0.269 257 G C 0.480 175.379 174.900 -0.001 0.000 0.981 257 G CA 0.738 45.839 45.100 0.001 0.000 0.658 257 G HN 0.665 nan 8.290 nan 0.000 0.539 258 S N -0.046 115.656 115.700 0.004 0.000 2.601 258 S HA 0.661 5.132 4.470 0.003 0.000 0.271 258 S C 0.845 175.435 174.600 -0.016 0.000 1.305 258 S CA 0.154 58.355 58.200 0.000 0.000 1.022 258 S CB 0.487 63.697 63.200 0.017 0.000 0.940 258 S HN 0.837 nan 8.310 nan 0.000 0.525 259 R N 1.320 121.798 120.500 -0.035 0.000 2.828 259 R HA 0.780 5.121 4.340 0.003 0.000 0.264 259 R C -1.621 174.601 176.300 -0.131 0.000 1.022 259 R CA -0.970 55.087 56.100 -0.071 0.000 1.021 259 R CB 0.861 31.125 30.300 -0.060 0.000 1.163 259 R HN 0.347 nan 8.270 nan 0.000 0.494 260 V N 2.892 122.682 119.914 -0.207 0.000 2.409 260 V HA 0.314 4.435 4.120 0.003 0.000 0.290 260 V C 0.012 175.951 176.094 -0.258 0.000 1.017 260 V CA -0.808 61.267 62.300 -0.375 0.000 0.841 260 V CB 1.167 32.577 31.823 -0.689 0.000 1.003 260 V HN 0.564 nan 8.190 nan 0.000 0.426 261 L N 3.749 124.859 121.223 -0.188 0.000 2.421 261 L HA 0.337 4.679 4.340 0.003 0.000 0.263 261 L C 1.518 178.329 176.870 -0.098 0.000 1.122 261 L CA -0.611 54.163 54.840 -0.111 0.000 0.804 261 L CB 0.852 42.872 42.059 -0.065 0.000 1.150 261 L HN 0.540 nan 8.230 nan 0.000 0.457 262 L N 1.727 122.919 121.223 -0.053 0.000 2.129 262 L HA -0.210 4.132 4.340 0.003 0.000 0.212 262 L C 2.703 179.565 176.870 -0.014 0.000 1.087 262 L CA 1.772 56.596 54.840 -0.027 0.000 0.757 262 L CB -0.800 41.261 42.059 0.004 0.000 0.896 262 L HN 0.680 nan 8.230 nan 0.000 0.434 263 R N -0.283 120.211 120.500 -0.009 0.000 2.097 263 R HA -0.226 4.115 4.340 0.003 0.000 0.236 263 R C 1.812 178.123 176.300 0.018 0.000 1.135 263 R CA 2.221 58.326 56.100 0.008 0.000 0.934 263 R CB -0.707 29.597 30.300 0.006 0.000 0.846 263 R HN 0.443 nan 8.270 nan 0.000 0.431 264 D N -0.039 120.358 120.400 -0.004 0.000 2.322 264 D HA -0.127 4.515 4.640 0.003 0.000 0.210 264 D C 1.540 177.907 176.300 0.111 0.000 0.983 264 D CA 1.597 55.620 54.000 0.037 0.000 0.902 264 D CB 0.208 40.956 40.800 -0.088 0.000 0.905 264 D HN 0.390 nan 8.370 nan 0.000 0.483 265 V N -3.902 116.047 119.914 0.058 0.000 3.502 265 V HA 0.652 4.774 4.120 0.003 0.000 0.288 265 V C 0.401 176.530 176.094 0.060 0.000 1.461 265 V CA 0.003 62.355 62.300 0.087 0.000 1.029 265 V CB 0.362 32.230 31.823 0.075 0.000 0.843 265 V HN 0.085 nan 8.190 nan 0.000 0.438 266 A N 0.153 123.004 122.820 0.053 0.000 2.594 266 A HA 0.733 5.055 4.320 0.003 0.000 0.296 266 A C -1.084 176.542 177.584 0.071 0.000 1.061 266 A CA -0.767 51.310 52.037 0.066 0.000 0.689 266 A CB 1.732 20.760 19.000 0.046 0.000 1.280 266 A HN 0.117 nan 8.150 nan 0.000 0.406 267 K N 0.966 121.438 120.400 0.120 0.000 2.339 267 K HA 0.584 4.905 4.320 0.003 0.000 0.286 267 K C -1.137 175.526 176.600 0.105 0.000 1.050 267 K CA 0.221 56.585 56.287 0.128 0.000 0.956 267 K CB -0.005 32.602 32.500 0.179 0.000 0.990 267 K HN 0.470 nan 8.250 nan 0.000 0.475 268 I N 4.660 125.255 120.570 0.041 0.000 2.378 268 I HA 0.317 4.489 4.170 0.003 0.000 0.291 268 I C -0.244 175.863 176.117 -0.017 0.000 0.992 268 I CA -0.120 61.155 61.300 -0.042 0.000 1.154 268 I CB 1.421 39.389 38.000 -0.052 0.000 1.315 268 I HN 0.713 nan 8.210 nan 0.000 0.448 269 E N 5.446 125.609 120.200 -0.061 0.000 2.430 269 E HA 0.433 4.785 4.350 0.003 0.000 0.279 269 E C -1.567 174.977 176.600 -0.093 0.000 1.003 269 E CA -1.085 55.303 56.400 -0.019 0.000 0.801 269 E CB 1.569 31.328 29.700 0.099 0.000 1.313 269 E HN 0.246 nan 8.360 nan 0.000 0.459 270 L N 2.225 123.380 121.223 -0.113 0.000 2.385 270 L HA 0.498 4.840 4.340 0.003 0.000 0.285 270 L C 0.064 176.774 176.870 -0.267 0.000 1.125 270 L CA 0.665 55.347 54.840 -0.263 0.000 0.890 270 L CB 0.205 42.023 42.059 -0.401 0.000 1.251 270 L HN 0.723 nan 8.230 nan 0.000 0.445 271 G N 2.329 111.097 108.800 -0.052 0.000 3.075 271 G HA2 0.686 4.648 3.960 0.003 0.000 0.253 271 G HA3 0.686 4.648 3.960 0.003 0.000 0.253 271 G C -0.250 174.860 174.900 0.351 0.000 1.353 271 G CA -0.284 44.951 45.100 0.225 0.000 1.051 271 G HN 0.728 nan 8.290 nan 0.000 0.553 272 G N -1.711 107.274 108.800 0.307 0.000 2.535 272 G HA2 0.455 4.416 3.960 0.003 0.000 0.303 272 G HA3 0.455 4.416 3.960 0.003 0.000 0.303 272 G C 0.347 175.393 174.900 0.243 0.000 1.237 272 G CA -0.127 45.080 45.100 0.180 0.000 0.986 272 G HN 0.519 nan 8.290 nan 0.000 0.494 273 E N -0.339 119.971 120.200 0.183 0.000 2.033 273 E HA -0.034 4.318 4.350 0.003 0.000 0.189 273 E C 0.382 177.017 176.600 0.058 0.000 0.979 273 E CA 0.702 57.215 56.400 0.188 0.000 0.802 273 E CB 0.123 29.972 29.700 0.250 0.000 0.763 273 E HN 0.583 nan 8.360 nan 0.000 0.449 274 N N -0.717 118.054 118.700 0.118 0.000 2.235 274 N HA 0.044 4.786 4.740 0.003 0.000 0.293 274 N C -1.677 173.992 175.510 0.264 0.000 1.083 274 N CA -0.524 52.644 53.050 0.197 0.000 0.801 274 N CB 0.767 39.308 38.487 0.089 0.000 1.559 274 N HN -0.138 nan 8.380 nan 0.000 0.472 275 Y N 0.581 120.914 120.300 0.056 0.000 2.921 275 Y HA 0.345 4.897 4.550 0.003 0.000 0.346 275 Y C -0.136 175.790 175.900 0.044 0.000 1.182 275 Y CA -0.856 57.279 58.100 0.058 0.000 1.319 275 Y CB 0.539 39.038 38.460 0.066 0.000 1.403 275 Y HN 0.612 nan 8.280 nan 0.000 0.554 276 D N 0.700 121.196 120.400 0.161 0.000 2.502 276 D HA 0.204 4.846 4.640 0.003 0.000 0.232 276 D C -0.199 176.162 176.300 0.101 0.000 1.137 276 D CA 0.349 54.425 54.000 0.126 0.000 0.827 276 D CB 0.781 41.655 40.800 0.124 0.000 1.141 276 D HN 0.411 nan 8.370 nan 0.000 0.517 277 I N 0.131 120.743 120.570 0.071 0.000 2.476 277 I HA 0.441 4.612 4.170 0.003 0.000 0.281 277 I C -0.753 175.356 176.117 -0.013 0.000 1.040 277 I CA -1.049 60.278 61.300 0.044 0.000 1.094 277 I CB 1.281 39.312 38.000 0.052 0.000 1.219 277 I HN -0.226 nan 8.210 nan 0.000 0.450 278 I N 3.264 123.816 120.570 -0.030 0.000 2.412 278 I HA 0.958 5.130 4.170 0.003 0.000 0.296 278 I C -0.057 175.968 176.117 -0.152 0.000 0.987 278 I CA -0.697 60.558 61.300 -0.075 0.000 1.180 278 I CB 1.789 39.763 38.000 -0.043 0.000 1.340 278 I HN 0.683 nan 8.210 nan 0.000 0.455 279 A N 4.826 127.509 122.820 -0.229 0.000 2.374 279 A HA 0.789 5.111 4.320 0.003 0.000 0.317 279 A C -0.701 176.656 177.584 -0.380 0.000 1.094 279 A CA -0.580 51.202 52.037 -0.426 0.000 0.765 279 A CB 1.529 20.145 19.000 -0.640 0.000 1.268 279 A HN 0.858 nan 8.150 nan 0.000 0.438 280 E N 0.095 120.034 120.200 -0.435 0.000 2.367 280 E HA 0.495 4.847 4.350 0.003 0.000 0.273 280 E C -2.056 174.459 176.600 -0.140 0.000 0.903 280 E CA -0.510 55.755 56.400 -0.225 0.000 0.764 280 E CB 2.630 32.260 29.700 -0.117 0.000 1.252 280 E HN 0.475 nan 8.360 nan 0.000 0.446 281 F N 3.379 123.240 119.950 -0.148 0.000 2.513 281 F HA 0.331 4.860 4.527 0.003 0.000 0.358 281 F C -0.362 175.435 175.800 -0.004 0.000 1.118 281 F CA -1.011 56.978 58.000 -0.017 0.000 1.037 281 F CB 0.277 39.312 39.000 0.058 0.000 1.276 281 F HN 0.420 nan 8.300 nan 0.000 0.446 282 N N 3.957 122.495 118.700 -0.270 0.000 2.740 282 N HA -0.196 4.546 4.740 0.003 0.000 0.248 282 N C 1.073 176.516 175.510 -0.111 0.000 1.062 282 N CA 1.233 54.127 53.050 -0.259 0.000 0.704 282 N CB -1.277 36.952 38.487 -0.430 0.000 0.968 282 N HN 1.277 nan 8.380 nan 0.000 0.547 283 G N -0.642 108.128 108.800 -0.050 0.000 2.233 283 G HA2 -0.358 3.603 3.960 0.003 0.000 0.270 283 G HA3 -0.358 3.603 3.960 0.003 0.000 0.270 283 G C -0.042 174.852 174.900 -0.010 0.000 1.011 283 G CA 0.876 45.964 45.100 -0.020 0.000 0.762 283 G HN 0.612 nan 8.290 nan 0.000 0.511 284 Q N -0.065 119.740 119.800 0.008 0.000 2.256 284 Q HA 0.370 4.712 4.340 0.003 0.000 0.257 284 Q C -2.445 173.577 176.000 0.036 0.000 0.936 284 Q CA -2.155 53.669 55.803 0.034 0.000 0.903 284 Q CB 1.667 30.446 28.738 0.069 0.000 1.263 284 Q HN 0.080 nan 8.270 nan 0.000 0.440 285 P HA -0.053 nan 4.420 nan 0.000 0.260 285 P C -1.395 175.899 177.300 -0.011 0.000 1.172 285 P CA 0.674 63.767 63.100 -0.012 0.000 0.760 285 P CB 0.433 32.130 31.700 -0.004 0.000 0.773 286 A N 2.311 125.098 122.820 -0.055 0.000 2.599 286 A HA 0.672 4.994 4.320 0.003 0.000 0.294 286 A C -1.029 176.484 177.584 -0.118 0.000 1.055 286 A CA -0.421 51.579 52.037 -0.062 0.000 0.683 286 A CB 1.391 20.395 19.000 0.006 0.000 1.278 286 A HN 0.368 nan 8.150 nan 0.000 0.412 287 S N -0.453 115.199 115.700 -0.081 0.000 2.570 287 S HA 0.858 5.329 4.470 0.003 0.000 0.286 287 S C 0.111 174.722 174.600 0.018 0.000 1.099 287 S CA 0.279 58.447 58.200 -0.053 0.000 0.913 287 S CB 1.602 64.768 63.200 -0.056 0.000 1.085 287 S HN 2.100 nan 8.310 nan 0.000 0.480 288 G N 1.010 109.876 108.800 0.109 0.000 3.175 288 G HA2 0.697 4.659 3.960 0.003 0.000 0.255 288 G HA3 0.697 4.659 3.960 0.003 0.000 0.255 288 G C -1.887 173.089 174.900 0.126 0.000 1.352 288 G CA -0.608 44.521 45.100 0.050 0.000 1.037 288 G HN 0.703 nan 8.290 nan 0.000 0.556 289 L N 0.818 122.088 121.223 0.079 0.000 2.406 289 L HA 0.647 4.989 4.340 0.003 0.000 0.270 289 L C 0.763 177.794 176.870 0.269 0.000 0.982 289 L CA -0.639 54.289 54.840 0.147 0.000 0.843 289 L CB 1.328 43.406 42.059 0.032 0.000 1.225 289 L HN 0.621 nan 8.230 nan 0.000 0.412 290 G N 6.250 115.308 108.800 0.430 0.000 3.284 290 G HA2 0.126 4.088 3.960 0.003 0.000 0.251 290 G HA3 0.126 4.088 3.960 0.003 0.000 0.251 290 G C 0.570 175.721 174.900 0.418 0.000 0.913 290 G CA -0.341 45.141 45.100 0.637 0.000 1.947 290 G HN 0.656 nan 8.290 nan 0.000 0.635 291 I N 0.860 121.625 120.570 0.325 0.000 2.992 291 I HA -0.074 4.097 4.170 0.003 0.000 0.309 291 I C 1.489 177.759 176.117 0.255 0.000 1.170 291 I CA 0.429 61.861 61.300 0.220 0.000 1.862 291 I CB 0.279 38.388 38.000 0.183 0.000 1.579 291 I HN 0.284 nan 8.210 nan 0.000 0.885 292 K N 5.260 125.724 120.400 0.107 0.000 2.525 292 K HA 0.238 4.559 4.320 0.003 0.000 0.192 292 K C 0.017 176.630 176.600 0.020 0.000 1.029 292 K CA 0.485 56.736 56.287 -0.061 0.000 1.029 292 K CB 0.323 32.677 32.500 -0.242 0.000 0.814 292 K HN 0.528 nan 8.250 nan 0.000 0.503 293 L N -2.197 119.068 121.223 0.071 0.000 3.118 293 L HA 0.304 4.645 4.340 0.003 0.000 0.262 293 L C -1.893 175.012 176.870 0.058 0.000 0.978 293 L CA -0.741 54.139 54.840 0.067 0.000 1.032 293 L CB 1.522 43.603 42.059 0.036 0.000 1.520 293 L HN -0.001 nan 8.230 nan 0.000 0.400 298 N N 1.369 120.062 118.700 -0.011 0.000 2.605 298 N HA 0.274 5.016 4.740 0.003 0.000 0.282 298 N C 1.408 176.921 175.510 0.004 0.000 1.206 298 N CA 0.375 53.420 53.050 -0.009 0.000 1.074 298 N CB 0.340 38.823 38.487 -0.007 0.000 1.434 298 N HN 0.900 nan 8.380 nan 0.000 0.506 299 A N 3.239 126.061 122.820 0.003 0.000 1.985 299 A HA -0.245 4.077 4.320 0.003 0.000 0.223 299 A C 1.930 179.534 177.584 0.034 0.000 1.189 299 A CA 1.294 53.342 52.037 0.019 0.000 0.658 299 A CB -0.478 18.531 19.000 0.015 0.000 0.820 299 A HN 0.701 nan 8.150 nan 0.000 0.464 300 L N -0.429 120.813 121.223 0.032 0.000 2.056 300 L HA -0.121 4.221 4.340 0.003 0.000 0.207 300 L C 2.002 178.891 176.870 0.031 0.000 1.078 300 L CA 2.598 57.462 54.840 0.040 0.000 0.749 300 L CB -0.436 41.647 42.059 0.040 0.000 0.901 300 L HN 0.469 nan 8.230 nan 0.000 0.433 301 D N -1.332 119.081 120.400 0.022 0.000 2.137 301 D HA -0.159 4.483 4.640 0.003 0.000 0.202 301 D C 1.997 178.310 176.300 0.021 0.000 0.970 301 D CA 1.563 55.574 54.000 0.018 0.000 0.837 301 D CB 0.169 40.976 40.800 0.011 0.000 0.981 301 D HN 0.566 nan 8.370 nan 0.000 0.475 302 T N -0.110 114.459 114.554 0.024 0.000 2.555 302 T HA -0.206 4.146 4.350 0.003 0.000 0.264 302 T C 2.111 176.834 174.700 0.039 0.000 1.083 302 T CA 2.553 64.670 62.100 0.029 0.000 1.179 302 T CB -0.968 67.919 68.868 0.032 0.000 0.863 302 T HN 0.102 nan 8.240 nan 0.000 0.412 303 A N 2.875 125.723 122.820 0.046 0.000 1.893 303 A HA -0.105 4.217 4.320 0.003 0.000 0.222 303 A C 2.912 180.518 177.584 0.037 0.000 1.309 303 A CA 3.639 55.708 52.037 0.054 0.000 0.681 303 A CB -1.750 17.282 19.000 0.052 0.000 0.842 303 A HN 1.312 nan 8.150 nan 0.000 0.468 304 A N -1.208 121.623 122.820 0.018 0.000 2.139 304 A HA 0.154 4.475 4.320 0.003 0.000 0.221 304 A C 2.286 179.877 177.584 0.011 0.000 1.159 304 A CA 2.219 54.255 52.037 -0.001 0.000 0.662 304 A CB -0.766 18.234 19.000 -0.000 0.000 0.796 304 A HN 1.337 nan 8.150 nan 0.000 0.463 305 A N -0.728 122.108 122.820 0.027 0.000 2.030 305 A HA 0.233 4.555 4.320 0.003 0.000 0.215 305 A C 1.739 179.353 177.584 0.049 0.000 1.164 305 A CA 0.908 52.965 52.037 0.032 0.000 0.697 305 A CB -0.335 18.682 19.000 0.027 0.000 0.827 305 A HN 0.378 nan 8.150 nan 0.000 0.457 306 I N 0.096 120.707 120.570 0.068 0.000 2.493 306 I HA -0.156 4.016 4.170 0.003 0.000 0.254 306 I C 2.374 178.571 176.117 0.133 0.000 1.160 306 I CA 1.100 62.456 61.300 0.093 0.000 1.445 306 I CB -0.329 37.741 38.000 0.117 0.000 1.086 306 I HN 0.202 nan 8.210 nan 0.000 0.433 307 R N 0.252 120.823 120.500 0.118 0.000 2.189 307 R HA 0.061 4.403 4.340 0.003 0.000 0.218 307 R C 2.254 178.600 176.300 0.077 0.000 1.074 307 R CA 1.051 57.214 56.100 0.106 0.000 0.991 307 R CB -0.293 29.966 30.300 -0.067 0.000 0.883 307 R HN 0.389 nan 8.270 nan 0.000 0.457 308 A N 1.138 123.991 122.820 0.056 0.000 1.903 308 A HA -0.142 4.180 4.320 0.003 0.000 0.213 308 A C 1.967 179.586 177.584 0.059 0.000 1.185 308 A CA 1.107 53.173 52.037 0.047 0.000 0.628 308 A CB -0.211 18.809 19.000 0.034 0.000 0.830 308 A HN 0.214 nan 8.150 nan 0.000 0.446 309 E N 0.142 120.376 120.200 0.057 0.000 2.267 309 E HA -0.192 4.159 4.350 0.003 0.000 0.197 309 E C 1.570 178.209 176.600 0.064 0.000 0.998 309 E CA 1.087 57.517 56.400 0.049 0.000 0.830 309 E CB -0.593 29.128 29.700 0.035 0.000 0.751 309 E HN 0.413 nan 8.360 nan 0.000 0.491 310 L N 0.395 121.674 121.223 0.094 0.000 2.051 310 L HA -0.225 4.117 4.340 0.003 0.000 0.214 310 L C 2.281 179.223 176.870 0.119 0.000 1.076 310 L CA 2.398 57.308 54.840 0.117 0.000 0.758 310 L CB -1.039 41.124 42.059 0.173 0.000 0.890 310 L HN 0.248 nan 8.230 nan 0.000 0.433 311 A N -0.925 121.965 122.820 0.117 0.000 1.940 311 A HA -0.223 4.099 4.320 0.003 0.000 0.219 311 A C 2.054 179.767 177.584 0.216 0.000 1.176 311 A CA 1.668 53.790 52.037 0.142 0.000 0.631 311 A CB -0.583 18.486 19.000 0.115 0.000 0.814 311 A HN 0.449 nan 8.150 nan 0.000 0.446 312 K N -1.210 119.288 120.400 0.164 0.000 2.589 312 K HA -0.098 4.224 4.320 0.003 0.000 0.195 312 K C 1.110 177.742 176.600 0.053 0.000 1.042 312 K CA 1.157 57.524 56.287 0.133 0.000 0.940 312 K CB -0.262 32.217 32.500 -0.035 0.000 0.776 312 K HN 0.688 nan 8.250 nan 0.000 0.487 313 M N -0.951 118.817 119.600 0.281 0.000 2.449 313 M HA 0.034 4.516 4.480 0.003 0.000 0.410 313 M C 0.397 176.917 176.300 0.367 0.000 1.079 313 M CA 0.170 55.699 55.300 0.382 0.000 0.922 313 M CB 0.749 33.436 32.600 0.145 0.000 1.676 313 M HN -0.036 nan 8.290 nan 0.000 0.572 314 E N 1.502 121.880 120.200 0.297 0.000 2.015 314 E HA -0.117 4.234 4.350 0.003 0.000 0.191 314 E C -0.976 175.718 176.600 0.157 0.000 0.991 314 E CA 1.540 58.047 56.400 0.179 0.000 0.802 314 E CB -0.701 29.075 29.700 0.126 0.000 0.759 314 E HN 0.459 nan 8.360 nan 0.000 0.447 315 P HA -0.166 nan 4.420 nan 0.000 0.217 315 P C 0.121 177.393 177.300 -0.048 0.000 1.150 315 P CA 0.951 64.002 63.100 -0.080 0.000 0.832 315 P CB -0.206 31.309 31.700 -0.308 0.000 0.787 316 F N 0.665 120.678 119.950 0.104 0.000 2.602 316 F HA 0.199 4.727 4.527 0.003 0.000 0.385 316 F C 0.967 176.881 175.800 0.191 0.000 1.063 316 F CA 0.425 58.522 58.000 0.163 0.000 1.233 316 F CB -1.087 38.039 39.000 0.210 0.000 1.067 316 F HN -0.128 nan 8.300 nan 0.000 0.564 317 F N 4.810 124.830 119.950 0.117 0.000 2.121 317 F HA -0.185 4.344 4.527 0.003 0.000 0.470 317 F C -1.553 174.214 175.800 -0.056 0.000 1.232 317 F CA -1.226 56.756 58.000 -0.031 0.000 1.518 317 F CB -0.253 38.567 39.000 -0.301 0.000 2.410 317 F HN 0.415 nan 8.300 nan 0.000 0.729 318 P HA -0.142 nan 4.420 nan 0.000 0.218 318 P C 0.088 177.283 177.300 -0.176 0.000 1.146 318 P CA 1.671 64.582 63.100 -0.316 0.000 0.820 318 P CB 0.069 31.524 31.700 -0.408 0.000 0.778 319 S N -0.261 115.348 115.700 -0.152 0.000 2.512 319 S HA 0.508 4.980 4.470 0.003 0.000 0.291 319 S C 1.074 175.787 174.600 0.189 0.000 1.151 319 S CA -0.129 58.108 58.200 0.061 0.000 1.120 319 S CB 0.491 63.750 63.200 0.099 0.000 1.029 319 S HN 0.483 nan 8.310 nan 0.000 0.485 320 G N 2.550 111.411 108.800 0.102 0.000 2.686 320 G HA2 -0.315 3.647 3.960 0.003 0.000 0.329 320 G HA3 -0.315 3.647 3.960 0.003 0.000 0.329 320 G C 0.308 175.263 174.900 0.092 0.000 1.187 320 G CA 0.556 45.706 45.100 0.083 0.000 0.965 320 G HN 1.581 nan 8.290 nan 0.000 0.549 321 L N -0.888 120.367 121.223 0.053 0.000 3.783 321 L HA -0.099 4.243 4.340 0.003 0.000 0.409 321 L C 0.489 177.356 176.870 -0.006 0.000 1.223 321 L CA 1.853 56.683 54.840 -0.017 0.000 0.888 321 L CB -1.557 40.464 42.059 -0.064 0.000 2.018 321 L HN 0.732 nan 8.230 nan 0.000 0.780 322 K N 1.130 121.539 120.400 0.016 0.000 2.416 322 K HA 0.379 4.701 4.320 0.003 0.000 0.283 322 K C 0.380 176.959 176.600 -0.034 0.000 1.037 322 K CA -0.298 56.002 56.287 0.021 0.000 0.995 322 K CB 0.460 32.993 32.500 0.056 0.000 0.938 322 K HN 0.349 nan 8.250 nan 0.000 0.475 323 I N 3.821 124.353 120.570 -0.062 0.000 2.416 323 I HA 0.075 4.247 4.170 0.003 0.000 0.288 323 I C -0.055 175.912 176.117 -0.249 0.000 1.051 323 I CA -0.545 60.632 61.300 -0.205 0.000 1.375 323 I CB 0.901 38.763 38.000 -0.230 0.000 1.407 323 I HN 0.183 nan 8.210 nan 0.000 0.516 324 V N 6.543 126.211 119.914 -0.409 0.000 2.769 324 V HA 0.286 4.408 4.120 0.003 0.000 0.312 324 V C -0.979 174.829 176.094 -0.476 0.000 1.061 324 V CA -0.750 61.381 62.300 -0.282 0.000 0.931 324 V CB 1.799 33.492 31.823 -0.217 0.000 1.010 324 V HN 0.411 nan 8.190 nan 0.000 0.433 325 Y N 3.023 123.259 120.300 -0.107 0.000 2.921 325 Y HA 0.365 4.917 4.550 0.003 0.000 0.346 325 Y C -1.706 174.147 175.900 -0.079 0.000 1.182 325 Y CA -2.632 55.402 58.100 -0.110 0.000 1.319 325 Y CB -0.152 38.278 38.460 -0.051 0.000 1.403 325 Y HN 0.492 nan 8.280 nan 0.000 0.554 326 P HA -0.246 nan 4.420 nan 0.000 0.214 326 P C -0.214 177.156 177.300 0.118 0.000 1.169 326 P CA 1.652 64.770 63.100 0.031 0.000 0.908 326 P CB 0.101 31.688 31.700 -0.188 0.000 0.791 327 Y N 0.049 120.315 120.300 -0.057 0.000 2.356 327 Y HA 0.465 5.017 4.550 0.003 0.000 0.334 327 Y C -1.072 174.868 175.900 0.067 0.000 0.958 327 Y CA -1.179 56.939 58.100 0.030 0.000 1.196 327 Y CB 0.611 39.105 38.460 0.055 0.000 1.137 327 Y HN -0.195 nan 8.280 nan 0.000 0.485 328 D N 4.601 124.779 120.400 -0.369 0.000 2.620 328 D HA 0.206 4.848 4.640 0.003 0.000 0.252 328 D C -1.038 175.046 176.300 -0.360 0.000 1.207 328 D CA -0.378 53.456 54.000 -0.275 0.000 0.884 328 D CB 1.642 42.421 40.800 -0.036 0.000 1.262 328 D HN 0.601 nan 8.370 nan 0.000 0.552 329 T N 2.731 117.043 114.554 -0.404 0.000 3.629 329 T HA 0.265 4.617 4.350 0.003 0.000 0.317 329 T C 0.848 175.562 174.700 0.023 0.000 1.690 329 T CA -0.249 61.702 62.100 -0.248 0.000 1.276 329 T CB 0.598 69.347 68.868 -0.199 0.000 1.205 329 T HN 0.272 nan 8.240 nan 0.000 0.824 330 T N 1.822 116.458 114.554 0.137 0.000 3.272 330 T HA 0.153 4.505 4.350 0.003 0.000 0.247 330 T C -1.092 173.753 174.700 0.241 0.000 0.990 330 T CA 0.055 62.249 62.100 0.156 0.000 1.213 330 T CB -0.788 68.127 68.868 0.080 0.000 1.124 330 T HN 0.160 nan 8.240 nan 0.000 0.401 331 P HA -0.104 nan 4.420 nan 0.000 0.219 331 P C 0.639 178.055 177.300 0.194 0.000 1.149 331 P CA 1.161 64.374 63.100 0.189 0.000 0.835 331 P CB -0.278 31.522 31.700 0.167 0.000 0.778 332 F N -1.943 118.110 119.950 0.172 0.000 2.664 332 F HA -0.100 4.429 4.527 0.003 0.000 0.297 332 F C 1.994 177.842 175.800 0.080 0.000 1.164 332 F CA 0.689 58.782 58.000 0.156 0.000 1.472 332 F CB -0.877 38.226 39.000 0.172 0.000 1.108 332 F HN -0.150 nan 8.300 nan 0.000 0.596 333 V N -0.914 119.133 119.914 0.222 0.000 2.599 333 V HA -0.092 4.030 4.120 0.003 0.000 0.237 333 V C 2.163 178.309 176.094 0.087 0.000 1.081 333 V CA 0.743 63.125 62.300 0.137 0.000 1.107 333 V CB -0.440 31.456 31.823 0.122 0.000 0.808 333 V HN 0.050 nan 8.190 nan 0.000 0.486 334 K N 0.597 121.041 120.400 0.073 0.000 2.074 334 K HA -0.061 4.260 4.320 0.003 0.000 0.209 334 K C 1.271 177.891 176.600 0.033 0.000 1.048 334 K CA 1.470 57.785 56.287 0.047 0.000 0.926 334 K CB -0.262 32.253 32.500 0.025 0.000 0.713 334 K HN 0.370 nan 8.250 nan 0.000 0.444 335 I N 1.077 121.642 120.570 -0.007 0.000 2.967 335 I HA -0.048 4.123 4.170 0.003 0.000 0.284 335 I C 0.944 177.022 176.117 -0.066 0.000 1.145 335 I CA 0.103 61.349 61.300 -0.090 0.000 1.704 335 I CB -0.081 37.766 38.000 -0.256 0.000 1.385 335 I HN 0.145 nan 8.210 nan 0.000 0.673 336 S N 0.497 116.210 115.700 0.021 0.000 4.026 336 S HA 0.122 4.593 4.470 0.003 0.000 0.198 336 S C 1.429 176.049 174.600 0.033 0.000 1.069 336 S CA -0.151 58.053 58.200 0.007 0.000 1.200 336 S CB -0.370 62.838 63.200 0.013 0.000 1.385 336 S HN 0.338 nan 8.310 nan 0.000 0.449 337 I N 2.463 123.071 120.570 0.063 0.000 2.194 337 I HA -0.200 3.972 4.170 0.003 0.000 0.246 337 I C 2.329 178.489 176.117 0.072 0.000 1.093 337 I CA 2.127 63.472 61.300 0.076 0.000 1.355 337 I CB -0.604 37.452 38.000 0.093 0.000 1.046 337 I HN 0.529 nan 8.210 nan 0.000 0.413 338 H N 1.340 120.404 119.070 -0.009 0.000 2.287 338 H HA -0.289 4.269 4.556 0.003 0.000 0.292 338 H C 2.142 177.455 175.328 -0.024 0.000 1.068 338 H CA 2.502 58.537 56.048 -0.022 0.000 1.192 338 H CB -0.329 29.409 29.762 -0.040 0.000 1.360 338 H HN 0.223 nan 8.280 nan 0.000 0.516 339 E N 0.147 120.271 120.200 -0.127 0.000 2.113 339 E HA -0.215 4.136 4.350 0.003 0.000 0.210 339 E C 2.445 178.963 176.600 -0.136 0.000 1.040 339 E CA 2.048 58.353 56.400 -0.157 0.000 0.847 339 E CB -0.932 28.765 29.700 -0.004 0.000 0.755 339 E HN 0.359 nan 8.360 nan 0.000 0.459 340 V N -0.115 119.763 119.914 -0.060 0.000 2.222 340 V HA -0.375 3.747 4.120 0.003 0.000 0.252 340 V C 2.488 178.515 176.094 -0.112 0.000 1.060 340 V CA 2.171 64.440 62.300 -0.051 0.000 1.027 340 V CB -1.005 30.802 31.823 -0.027 0.000 0.644 340 V HN 0.246 nan 8.190 nan 0.000 0.448 341 V N 0.208 120.045 119.914 -0.127 0.000 2.215 341 V HA -0.395 3.727 4.120 0.003 0.000 0.246 341 V C 2.376 178.353 176.094 -0.194 0.000 1.047 341 V CA 2.686 64.901 62.300 -0.142 0.000 0.999 341 V CB -1.020 30.742 31.823 -0.102 0.000 0.635 341 V HN 0.627 nan 8.190 nan 0.000 0.450 342 K N -0.491 119.706 120.400 -0.338 0.000 2.090 342 K HA -0.348 3.973 4.320 0.003 0.000 0.218 342 K C 2.151 178.630 176.600 -0.201 0.000 1.055 342 K CA 2.735 58.817 56.287 -0.341 0.000 0.941 342 K CB -0.682 31.453 32.500 -0.608 0.000 0.722 342 K HN 0.565 nan 8.250 nan 0.000 0.458 343 T N 1.892 116.336 114.554 -0.183 0.000 2.569 343 T HA -0.196 4.156 4.350 0.003 0.000 0.263 343 T C 1.802 176.427 174.700 -0.126 0.000 1.074 343 T CA 1.735 63.758 62.100 -0.129 0.000 1.176 343 T CB -0.397 68.413 68.868 -0.097 0.000 0.863 343 T HN 0.444 nan 8.240 nan 0.000 0.410 344 L N 1.243 122.390 121.223 -0.127 0.000 2.034 344 L HA -0.199 4.143 4.340 0.003 0.000 0.217 344 L C 2.379 179.183 176.870 -0.110 0.000 1.077 344 L CA 1.684 56.450 54.840 -0.124 0.000 0.769 344 L CB -0.554 41.427 42.059 -0.131 0.000 0.890 344 L HN 0.143 nan 8.230 nan 0.000 0.435 345 V N 0.154 120.002 119.914 -0.109 0.000 2.233 345 V HA -0.315 3.806 4.120 0.003 0.000 0.247 345 V C 2.485 178.527 176.094 -0.086 0.000 1.050 345 V CA 2.387 64.631 62.300 -0.093 0.000 1.010 345 V CB -0.839 30.929 31.823 -0.092 0.000 0.637 345 V HN 0.512 nan 8.190 nan 0.000 0.444 346 E N 0.098 120.244 120.200 -0.090 0.000 2.118 346 E HA -0.226 4.126 4.350 0.003 0.000 0.195 346 E C 2.292 178.847 176.600 -0.075 0.000 0.992 346 E CA 1.378 57.732 56.400 -0.076 0.000 0.804 346 E CB -0.307 29.347 29.700 -0.076 0.000 0.741 346 E HN 0.614 nan 8.360 nan 0.000 0.458 347 A N 1.188 123.953 122.820 -0.092 0.000 1.855 347 A HA -0.142 4.180 4.320 0.003 0.000 0.215 347 A C 2.166 179.703 177.584 -0.078 0.000 1.191 347 A CA 0.905 52.882 52.037 -0.100 0.000 0.613 347 A CB -0.546 18.373 19.000 -0.135 0.000 0.829 347 A HN 0.121 nan 8.150 nan 0.000 0.442 348 I N -0.026 120.499 120.570 -0.074 0.000 2.163 348 I HA -0.298 3.874 4.170 0.003 0.000 0.243 348 I C 2.337 178.443 176.117 -0.019 0.000 1.085 348 I CA 1.484 62.754 61.300 -0.050 0.000 1.347 348 I CB -0.399 37.566 38.000 -0.058 0.000 1.044 348 I HN 0.353 nan 8.210 nan 0.000 0.408 349 I N 0.309 120.856 120.570 -0.037 0.000 2.090 349 I HA -0.322 3.850 4.170 0.003 0.000 0.236 349 I C 2.568 178.705 176.117 0.033 0.000 1.064 349 I CA 1.411 62.700 61.300 -0.018 0.000 1.324 349 I CB -0.527 37.443 38.000 -0.050 0.000 1.044 349 I HN 0.184 nan 8.210 nan 0.000 0.399 350 L N 0.423 121.637 121.223 -0.014 0.000 2.064 350 L HA -0.298 4.044 4.340 0.003 0.000 0.216 350 L C 2.658 179.509 176.870 -0.032 0.000 1.077 350 L CA 1.386 56.210 54.840 -0.027 0.000 0.766 350 L CB -0.354 41.675 42.059 -0.050 0.000 0.890 350 L HN 0.150 nan 8.230 nan 0.000 0.435 351 V N -0.745 119.152 119.914 -0.028 0.000 2.270 351 V HA -0.329 3.792 4.120 0.003 0.000 0.245 351 V C 2.161 178.237 176.094 -0.029 0.000 1.043 351 V CA 1.936 64.207 62.300 -0.047 0.000 1.014 351 V CB -0.383 31.414 31.823 -0.043 0.000 0.645 351 V HN 0.457 nan 8.190 nan 0.000 0.447 352 F N 0.504 120.385 119.950 -0.115 0.000 2.048 352 F HA -0.333 4.196 4.527 0.002 0.000 0.296 352 F C 2.047 177.763 175.800 -0.140 0.000 1.109 352 F CA 2.409 60.330 58.000 -0.132 0.000 1.214 352 F CB -0.684 38.220 39.000 -0.160 0.000 0.963 352 F HN 0.096 nan 8.300 nan 0.000 0.491 353 L N -0.457 120.680 121.223 -0.143 0.000 1.978 353 L HA -0.320 4.022 4.340 0.003 0.000 0.218 353 L C 2.446 179.159 176.870 -0.261 0.000 1.075 353 L CA 1.821 56.512 54.840 -0.248 0.000 0.767 353 L CB -1.289 40.720 42.059 -0.083 0.000 0.890 353 L HN 0.128 nan 8.230 nan 0.000 0.434 354 V N -0.312 119.464 119.914 -0.230 0.000 2.233 354 V HA -0.423 3.698 4.120 0.003 0.000 0.252 354 V C 2.670 178.570 176.094 -0.323 0.000 1.063 354 V CA 2.292 64.398 62.300 -0.323 0.000 1.032 354 V CB -0.576 31.031 31.823 -0.361 0.000 0.645 354 V HN 0.413 nan 8.190 nan 0.000 0.446 355 M N -1.438 117.996 119.600 -0.278 0.000 2.124 355 M HA -0.288 4.193 4.480 0.003 0.000 0.253 355 M C 2.142 178.339 176.300 -0.172 0.000 1.077 355 M CA 2.190 57.363 55.300 -0.211 0.000 1.085 355 M CB -1.533 30.935 32.600 -0.219 0.000 1.320 355 M HN 0.469 nan 8.290 nan 0.000 0.404 356 Y N 0.319 120.368 120.300 -0.419 0.000 2.128 356 Y HA -0.147 4.405 4.550 0.002 0.000 0.284 356 Y C 2.371 178.160 175.900 -0.184 0.000 1.154 356 Y CA 1.554 59.448 58.100 -0.342 0.000 1.149 356 Y CB -0.429 37.758 38.460 -0.455 0.000 0.976 356 Y HN 0.121 nan 8.280 nan 0.000 0.505 357 L N -0.983 120.204 121.223 -0.061 0.000 2.633 357 L HA -0.182 4.160 4.340 0.003 0.000 0.235 357 L C 0.763 177.613 176.870 -0.033 0.000 1.163 357 L CA 0.536 55.292 54.840 -0.139 0.000 0.859 357 L CB -0.219 41.731 42.059 -0.182 0.000 0.973 357 L HN 0.219 nan 8.230 nan 0.000 0.451 358 F N -2.105 117.619 119.950 -0.376 0.000 2.421 358 F HA 0.137 4.665 4.527 0.003 0.000 0.270 358 F C 1.682 177.337 175.800 -0.241 0.000 0.894 358 F CA 0.083 57.890 58.000 -0.321 0.000 1.128 358 F CB -0.084 38.736 39.000 -0.299 0.000 1.011 358 F HN -0.247 nan 8.300 nan 0.000 0.788 359 L N -0.263 120.937 121.223 -0.039 0.000 2.446 359 L HA 0.033 4.374 4.340 0.003 0.000 0.219 359 L C 0.849 177.617 176.870 -0.169 0.000 1.116 359 L CA 0.489 55.279 54.840 -0.085 0.000 0.844 359 L CB -0.566 41.460 42.059 -0.054 0.000 0.970 359 L HN 0.259 nan 8.230 nan 0.000 0.457 360 Q N -0.366 119.247 119.800 -0.312 0.000 2.296 360 Q HA -0.240 4.102 4.340 0.003 0.000 0.221 360 Q C -0.297 175.384 176.000 -0.531 0.000 0.802 360 Q CA 0.865 56.305 55.803 -0.604 0.000 1.355 360 Q CB -1.345 27.167 28.738 -0.376 0.000 1.820 360 Q HN 0.537 nan 8.270 nan 0.000 0.594 361 N N -0.177 118.374 118.700 -0.249 0.000 2.444 361 N HA 0.180 4.922 4.740 0.003 0.000 0.262 361 N C -0.176 175.416 175.510 0.136 0.000 0.974 361 N CA -0.115 52.906 53.050 -0.048 0.000 0.933 361 N CB 0.628 39.113 38.487 -0.005 0.000 1.137 361 N HN 0.110 nan 8.380 nan 0.000 0.498 362 F N 2.345 122.387 119.950 0.154 0.000 2.259 362 F HA 0.020 4.548 4.527 0.002 0.000 0.298 362 F C 1.830 177.728 175.800 0.162 0.000 1.088 362 F CA 0.416 58.574 58.000 0.264 0.000 1.358 362 F CB 0.469 39.670 39.000 0.335 0.000 1.040 362 F HN 0.296 nan 8.300 nan 0.000 0.505 363 R N 0.290 120.990 120.500 0.333 0.000 2.377 363 R HA -0.025 4.317 4.340 0.003 0.000 0.207 363 R C 0.614 177.011 176.300 0.161 0.000 1.075 363 R CA 0.686 56.891 56.100 0.175 0.000 1.035 363 R CB -0.241 30.116 30.300 0.095 0.000 0.857 363 R HN 0.255 nan 8.270 nan 0.000 0.475 364 A N -0.875 122.060 122.820 0.191 0.000 2.554 364 A HA 0.055 4.376 4.320 0.003 0.000 0.266 364 A C 0.957 178.617 177.584 0.126 0.000 0.938 364 A CA -0.343 51.770 52.037 0.127 0.000 1.045 364 A CB 0.422 19.464 19.000 0.070 0.000 1.198 364 A HN 0.085 nan 8.150 nan 0.000 0.528 365 T N -0.401 114.275 114.554 0.204 0.000 3.065 365 T HA 0.174 4.526 4.350 0.003 0.000 0.252 365 T C 1.618 176.454 174.700 0.227 0.000 1.099 365 T CA 0.969 63.153 62.100 0.139 0.000 1.063 365 T CB -0.444 68.437 68.868 0.022 0.000 0.948 365 T HN 0.371 nan 8.240 nan 0.000 0.506 366 L N 0.565 121.956 121.223 0.280 0.000 2.109 366 L HA 0.052 4.393 4.340 0.003 0.000 0.207 366 L C 2.299 179.249 176.870 0.134 0.000 1.086 366 L CA 0.931 55.916 54.840 0.241 0.000 0.760 366 L CB -0.622 41.583 42.059 0.244 0.000 0.910 366 L HN 0.303 nan 8.230 nan 0.000 0.437 367 I N 0.275 120.899 120.570 0.091 0.000 2.151 367 I HA -0.331 3.841 4.170 0.003 0.000 0.236 367 I C -0.303 175.821 176.117 0.011 0.000 1.000 367 I CA 1.935 63.248 61.300 0.023 0.000 1.285 367 I CB -2.285 35.720 38.000 0.008 0.000 0.994 367 I HN 0.221 nan 8.210 nan 0.000 0.396 368 P HA -0.155 nan 4.420 nan 0.000 0.215 368 P C 1.558 178.868 177.300 0.016 0.000 1.157 368 P CA 1.811 64.916 63.100 0.008 0.000 0.874 368 P CB -0.301 31.405 31.700 0.009 0.000 0.790 369 T N -1.109 113.477 114.554 0.054 0.000 3.093 369 T HA -0.089 4.263 4.350 0.003 0.000 0.270 369 T C 1.465 176.185 174.700 0.033 0.000 1.170 369 T CA 0.971 63.100 62.100 0.048 0.000 1.072 369 T CB -0.772 68.144 68.868 0.081 0.000 0.863 369 T HN 0.156 nan 8.240 nan 0.000 0.562 370 I N -0.166 120.419 120.570 0.024 0.000 3.443 370 I HA 0.220 4.391 4.170 0.003 0.000 0.277 370 I C 2.435 178.539 176.117 -0.022 0.000 1.169 370 I CA 0.135 61.446 61.300 0.018 0.000 1.419 370 I CB -0.268 37.733 38.000 0.002 0.000 1.331 370 I HN 0.021 nan 8.210 nan 0.000 0.458 371 A N 0.790 123.586 122.820 -0.041 0.000 2.292 371 A HA 0.021 4.343 4.320 0.003 0.000 0.209 371 A C 1.793 179.348 177.584 -0.048 0.000 1.209 371 A CA 1.173 53.178 52.037 -0.053 0.000 0.746 371 A CB -0.643 18.326 19.000 -0.052 0.000 0.764 371 A HN 0.302 nan 8.150 nan 0.000 0.492 372 V N -1.302 118.586 119.914 -0.042 0.000 3.134 372 V HA 0.040 4.161 4.120 0.003 0.000 0.222 372 V C -0.767 175.288 176.094 -0.064 0.000 1.247 372 V CA 0.693 62.959 62.300 -0.057 0.000 1.281 372 V CB -1.002 30.786 31.823 -0.058 0.000 1.169 372 V HN 0.189 nan 8.190 nan 0.000 0.512 373 P HA -0.138 nan 4.420 nan 0.000 0.210 373 P C 1.911 179.180 177.300 -0.052 0.000 1.185 373 P CA 1.804 64.868 63.100 -0.061 0.000 0.924 373 P CB -0.160 31.519 31.700 -0.034 0.000 0.786 374 V N -0.500 119.401 119.914 -0.021 0.000 2.277 374 V HA -0.327 3.795 4.120 0.003 0.000 0.261 374 V C 2.405 178.481 176.094 -0.030 0.000 1.091 374 V CA 2.743 65.038 62.300 -0.008 0.000 1.090 374 V CB -1.699 30.123 31.823 -0.002 0.000 0.704 374 V HN -0.036 nan 8.190 nan 0.000 0.455 375 V N -1.402 118.482 119.914 -0.049 0.000 2.283 375 V HA -0.163 3.959 4.120 0.003 0.000 0.243 375 V C 2.218 178.266 176.094 -0.077 0.000 1.039 375 V CA 1.798 64.062 62.300 -0.059 0.000 1.016 375 V CB -0.794 30.988 31.823 -0.068 0.000 0.650 375 V HN 0.469 nan 8.190 nan 0.000 0.449 376 L N -0.541 120.617 121.223 -0.108 0.000 2.353 376 L HA -0.070 4.271 4.340 0.003 0.000 0.220 376 L C 1.989 178.742 176.870 -0.194 0.000 1.133 376 L CA 1.548 56.289 54.840 -0.166 0.000 0.798 376 L CB -0.624 41.310 42.059 -0.208 0.000 0.922 376 L HN 0.235 nan 8.230 nan 0.000 0.445 377 L N -1.667 119.488 121.223 -0.114 0.000 2.004 377 L HA -0.021 4.320 4.340 0.003 0.000 0.205 377 L C 2.493 179.385 176.870 0.035 0.000 1.089 377 L CA 1.223 56.036 54.840 -0.045 0.000 0.756 377 L CB -1.450 40.605 42.059 -0.006 0.000 0.900 377 L HN 0.300 nan 8.230 nan 0.000 0.440 378 G N -0.719 108.091 108.800 0.017 0.000 2.517 378 G HA2 -0.290 3.672 3.960 0.003 0.000 0.222 378 G HA3 -0.290 3.672 3.960 0.003 0.000 0.222 378 G C 1.501 176.422 174.900 0.034 0.000 1.109 378 G CA 1.590 46.706 45.100 0.026 0.000 0.746 378 G HN 0.341 nan 8.290 nan 0.000 0.576 379 T N 0.349 114.910 114.554 0.012 0.000 2.674 379 T HA -0.066 4.286 4.350 0.003 0.000 0.265 379 T C 1.962 176.739 174.700 0.128 0.000 1.039 379 T CA 0.813 62.922 62.100 0.014 0.000 1.150 379 T CB -0.394 68.449 68.868 -0.042 0.000 0.864 379 T HN 0.356 nan 8.240 nan 0.000 0.427 380 F N 1.408 121.338 119.950 -0.033 0.000 2.087 380 F HA -0.242 4.287 4.527 0.003 0.000 0.299 380 F C 2.779 178.569 175.800 -0.017 0.000 1.100 380 F CA 0.694 58.682 58.000 -0.020 0.000 1.226 380 F CB -0.324 38.669 39.000 -0.011 0.000 0.983 380 F HN 0.187 nan 8.300 nan 0.000 0.479 381 A N 0.344 123.276 122.820 0.185 0.000 1.848 381 A HA -0.267 4.055 4.320 0.003 0.000 0.217 381 A C 1.877 179.491 177.584 0.050 0.000 1.220 381 A CA 2.345 54.431 52.037 0.082 0.000 0.645 381 A CB -1.411 17.628 19.000 0.064 0.000 0.842 381 A HN 0.194 nan 8.150 nan 0.000 0.451 382 V N -0.180 119.758 119.914 0.040 0.000 3.244 382 V HA -0.179 3.943 4.120 0.003 0.000 0.273 382 V C 2.105 178.183 176.094 -0.026 0.000 1.180 382 V CA 1.597 63.916 62.300 0.031 0.000 1.182 382 V CB -1.216 30.603 31.823 -0.006 0.000 0.796 382 V HN 0.485 nan 8.190 nan 0.000 0.543 383 L N 0.695 121.902 121.223 -0.027 0.000 2.253 383 L HA 0.340 4.682 4.340 0.003 0.000 0.205 383 L C 2.353 179.226 176.870 0.005 0.000 1.078 383 L CA 1.853 56.643 54.840 -0.083 0.000 0.805 383 L CB -0.532 41.547 42.059 0.034 0.000 0.963 383 L HN 0.198 nan 8.230 nan 0.000 0.459 384 A N -0.996 121.837 122.820 0.021 0.000 2.169 384 A HA 0.252 4.574 4.320 0.003 0.000 0.212 384 A C 2.312 179.923 177.584 0.045 0.000 1.153 384 A CA 0.895 52.951 52.037 0.032 0.000 0.756 384 A CB -0.660 18.331 19.000 -0.015 0.000 0.813 384 A HN 0.424 nan 8.150 nan 0.000 0.471 385 A N -0.332 122.526 122.820 0.063 0.000 1.883 385 A HA 0.164 4.486 4.320 0.003 0.000 0.217 385 A C 1.018 178.582 177.584 -0.034 0.000 1.186 385 A CA 1.165 53.226 52.037 0.041 0.000 0.624 385 A CB -0.416 18.699 19.000 0.192 0.000 0.822 385 A HN 0.401 nan 8.150 nan 0.000 0.444 386 F N -1.777 118.113 119.950 -0.099 0.000 2.635 386 F HA 0.568 5.097 4.527 0.003 0.000 0.362 386 F C 1.414 177.345 175.800 0.218 0.000 1.182 386 F CA -0.745 57.271 58.000 0.026 0.000 1.119 386 F CB -0.157 38.811 39.000 -0.053 0.000 1.713 386 F HN -0.018 nan 8.300 nan 0.000 0.512 387 G N 0.703 109.897 108.800 0.658 0.000 3.286 387 G HA2 0.467 4.429 3.960 0.003 0.000 0.303 387 G HA3 0.467 4.429 3.960 0.003 0.000 0.303 387 G C -1.519 173.649 174.900 0.447 0.000 0.974 387 G CA 0.152 45.495 45.100 0.405 0.000 1.635 387 G HN 0.122 nan 8.290 nan 0.000 0.535 388 F N 0.219 120.205 119.950 0.060 0.000 2.565 388 F HA 0.592 5.121 4.527 0.003 0.000 0.313 388 F C 0.279 176.077 175.800 -0.004 0.000 1.091 388 F CA -1.309 56.709 58.000 0.030 0.000 0.915 388 F CB 2.493 41.514 39.000 0.034 0.000 1.208 388 F HN 0.088 nan 8.300 nan 0.000 0.453 389 S N 2.698 118.465 115.700 0.112 0.000 2.482 389 S HA 0.585 5.056 4.470 0.003 0.000 0.303 389 S C -0.257 174.359 174.600 0.027 0.000 1.091 389 S CA -0.831 57.390 58.200 0.035 0.000 1.057 389 S CB 1.303 64.493 63.200 -0.017 0.000 1.031 389 S HN 0.510 nan 8.310 nan 0.000 0.485 390 I N 2.589 123.146 120.570 -0.021 0.000 2.725 390 I HA 0.132 4.304 4.170 0.003 0.000 0.296 390 I C 0.186 176.318 176.117 0.024 0.000 1.155 390 I CA -0.209 61.088 61.300 -0.005 0.000 1.450 390 I CB -1.279 36.665 38.000 -0.093 0.000 1.478 390 I HN 0.486 nan 8.210 nan 0.000 0.642 391 N N 2.955 121.678 118.700 0.039 0.000 2.701 391 N HA 0.312 5.053 4.740 0.003 0.000 0.290 391 N C 0.805 176.322 175.510 0.012 0.000 1.338 391 N CA -0.324 52.748 53.050 0.037 0.000 0.799 391 N CB 0.601 39.113 38.487 0.041 0.000 1.491 391 N HN 0.423 nan 8.380 nan 0.000 0.540 392 T N -1.282 113.275 114.554 0.005 0.000 2.652 392 T HA -0.138 4.213 4.350 0.003 0.000 0.267 392 T C 1.825 176.414 174.700 -0.186 0.000 1.039 392 T CA 1.427 63.464 62.100 -0.106 0.000 1.153 392 T CB -0.763 68.069 68.868 -0.060 0.000 0.863 392 T HN 0.403 nan 8.240 nan 0.000 0.428 393 L N 0.977 122.181 121.223 -0.032 0.000 1.933 393 L HA -0.126 4.215 4.340 0.003 0.000 0.220 393 L C 3.160 179.859 176.870 -0.284 0.000 1.078 393 L CA 2.083 56.906 54.840 -0.028 0.000 0.773 393 L CB -1.626 40.534 42.059 0.169 0.000 0.890 393 L HN 0.274 nan 8.230 nan 0.000 0.434 394 T N -0.269 114.203 114.554 -0.137 0.000 3.052 394 T HA -0.132 4.220 4.350 0.003 0.000 0.270 394 T C 1.807 176.476 174.700 -0.051 0.000 1.147 394 T CA 0.814 62.861 62.100 -0.088 0.000 1.089 394 T CB -0.068 68.845 68.868 0.075 0.000 0.875 394 T HN 0.133 nan 8.240 nan 0.000 0.541 395 M N -0.166 119.391 119.600 -0.072 0.000 2.216 395 M HA 0.217 4.699 4.480 0.003 0.000 0.264 395 M C 1.848 178.170 176.300 0.038 0.000 1.080 395 M CA 0.921 56.208 55.300 -0.022 0.000 1.153 395 M CB -1.210 31.351 32.600 -0.066 0.000 1.356 395 M HN 0.328 nan 8.290 nan 0.000 0.432 396 F N 0.323 120.229 119.950 -0.073 0.000 2.043 396 F HA -0.276 4.253 4.527 0.003 0.000 0.297 396 F C 2.398 178.145 175.800 -0.089 0.000 1.121 396 F CA 0.913 58.883 58.000 -0.050 0.000 1.199 396 F CB -0.898 38.128 39.000 0.045 0.000 0.968 396 F HN 0.286 nan 8.300 nan 0.000 0.478 397 G N 0.596 109.403 108.800 0.012 0.000 2.649 397 G HA2 -0.371 3.590 3.960 0.003 0.000 0.220 397 G HA3 -0.371 3.590 3.960 0.003 0.000 0.220 397 G C 1.484 176.382 174.900 -0.003 0.000 1.189 397 G CA 1.404 46.491 45.100 -0.021 0.000 0.777 397 G HN 0.131 nan 8.290 nan 0.000 0.602 398 M N -0.023 119.569 119.600 -0.013 0.000 2.163 398 M HA -0.139 4.343 4.480 0.003 0.000 0.258 398 M C 2.845 179.115 176.300 -0.049 0.000 1.071 398 M CA 1.288 56.560 55.300 -0.046 0.000 1.093 398 M CB -1.502 31.067 32.600 -0.053 0.000 1.285 398 M HN 0.151 nan 8.290 nan 0.000 0.420 399 V N 0.632 120.547 119.914 0.002 0.000 2.231 399 V HA -0.277 3.845 4.120 0.003 0.000 0.248 399 V C 2.498 178.551 176.094 -0.068 0.000 1.054 399 V CA 1.829 64.119 62.300 -0.016 0.000 1.015 399 V CB -0.989 30.888 31.823 0.090 0.000 0.638 399 V HN 0.387 nan 8.190 nan 0.000 0.444 400 L N 1.142 122.358 121.223 -0.011 0.000 1.933 400 L HA -0.164 4.177 4.340 0.003 0.000 0.220 400 L C 2.540 179.375 176.870 -0.059 0.000 1.078 400 L CA 2.748 57.580 54.840 -0.014 0.000 0.773 400 L CB -1.720 40.403 42.059 0.108 0.000 0.890 400 L HN 0.287 nan 8.230 nan 0.000 0.434 401 A N -0.195 122.616 122.820 -0.014 0.000 2.009 401 A HA -0.291 4.030 4.320 0.003 0.000 0.222 401 A C 2.341 179.859 177.584 -0.109 0.000 1.175 401 A CA 2.270 54.278 52.037 -0.048 0.000 0.651 401 A CB -1.020 17.932 19.000 -0.080 0.000 0.815 401 A HN 0.637 nan 8.150 nan 0.000 0.459 402 I N -0.808 119.675 120.570 -0.145 0.000 2.065 402 I HA -0.378 3.794 4.170 0.003 0.000 0.236 402 I C 2.770 178.743 176.117 -0.240 0.000 1.028 402 I CA 1.711 62.904 61.300 -0.178 0.000 1.299 402 I CB -1.039 36.850 38.000 -0.185 0.000 1.015 402 I HN 0.446 nan 8.210 nan 0.000 0.396 403 G N 0.778 109.312 108.800 -0.443 0.000 2.681 403 G HA2 -0.359 3.603 3.960 0.003 0.000 0.220 403 G HA3 -0.359 3.603 3.960 0.003 0.000 0.220 403 G C 1.688 176.426 174.900 -0.270 0.000 1.210 403 G CA 1.421 46.096 45.100 -0.709 0.000 0.783 403 G HN 0.449 nan 8.290 nan 0.000 0.609 404 L N 0.135 121.329 121.223 -0.048 0.000 1.971 404 L HA -0.125 4.217 4.340 0.003 0.000 0.215 404 L C 3.008 179.893 176.870 0.025 0.000 1.072 404 L CA 1.490 56.428 54.840 0.163 0.000 0.758 404 L CB -0.340 41.826 42.059 0.179 0.000 0.889 404 L HN 0.313 nan 8.230 nan 0.000 0.433 405 L N -0.948 120.249 121.223 -0.044 0.000 2.010 405 L HA -0.339 4.003 4.340 0.003 0.000 0.219 405 L C 2.439 179.278 176.870 -0.051 0.000 1.077 405 L CA 2.016 56.818 54.840 -0.062 0.000 0.773 405 L CB -0.993 41.012 42.059 -0.090 0.000 0.892 405 L HN 0.261 nan 8.230 nan 0.000 0.436 406 V N -0.008 119.866 119.914 -0.067 0.000 2.215 406 V HA -0.393 3.729 4.120 0.003 0.000 0.246 406 V C 2.128 178.211 176.094 -0.019 0.000 1.047 406 V CA 2.091 64.358 62.300 -0.055 0.000 0.999 406 V CB -0.939 30.837 31.823 -0.079 0.000 0.635 406 V HN 0.590 nan 8.190 nan 0.000 0.450 407 D N 0.681 121.091 120.400 0.017 0.000 2.893 407 D HA -0.390 4.251 4.640 0.003 0.000 0.426 407 D C 1.666 177.977 176.300 0.020 0.000 1.026 407 D CA 2.706 56.733 54.000 0.046 0.000 1.274 407 D CB -0.609 40.249 40.800 0.096 0.000 1.089 407 D HN 0.576 nan 8.370 nan 0.000 0.470 408 D N 0.474 120.882 120.400 0.014 0.000 2.339 408 D HA -0.355 4.287 4.640 0.003 0.000 0.189 408 D C 1.988 178.286 176.300 -0.003 0.000 1.022 408 D CA 2.103 56.105 54.000 0.003 0.000 0.884 408 D CB -0.866 39.926 40.800 -0.013 0.000 0.916 408 D HN 0.522 nan 8.370 nan 0.000 0.453 409 A N 1.822 124.635 122.820 -0.012 0.000 1.941 409 A HA -0.297 4.025 4.320 0.003 0.000 0.220 409 A C 2.455 180.034 177.584 -0.007 0.000 1.407 409 A CA 2.969 54.996 52.037 -0.017 0.000 0.766 409 A CB -1.348 17.639 19.000 -0.022 0.000 0.838 409 A HN 0.431 nan 8.150 nan 0.000 0.482 410 I N -1.547 119.019 120.570 -0.007 0.000 2.163 410 I HA -0.185 3.986 4.170 0.003 0.000 0.243 410 I C 2.008 178.134 176.117 0.015 0.000 1.085 410 I CA 1.754 63.053 61.300 -0.001 0.000 1.347 410 I CB -1.183 36.809 38.000 -0.012 0.000 1.044 410 I HN 0.119 nan 8.210 nan 0.000 0.408 411 V N 1.341 121.268 119.914 0.021 0.000 2.764 411 V HA -0.199 3.923 4.120 0.003 0.000 0.261 411 V C 2.243 178.363 176.094 0.043 0.000 1.108 411 V CA 1.577 63.900 62.300 0.039 0.000 1.129 411 V CB -0.580 31.266 31.823 0.039 0.000 0.701 411 V HN 0.447 nan 8.190 nan 0.000 0.495 412 V N -1.882 118.047 119.914 0.026 0.000 3.570 412 V HA 0.096 4.217 4.120 0.003 0.000 0.257 412 V C 1.875 177.981 176.094 0.020 0.000 1.272 412 V CA 0.695 63.008 62.300 0.023 0.000 1.079 412 V CB 1.155 32.981 31.823 0.004 0.000 0.829 412 V HN 0.374 nan 8.190 nan 0.000 0.454 413 V N -0.202 119.720 119.914 0.014 0.000 2.992 413 V HA 0.002 4.124 4.120 0.003 0.000 0.250 413 V C 2.350 178.454 176.094 0.016 0.000 1.090 413 V CA 1.356 63.663 62.300 0.011 0.000 1.101 413 V CB 0.130 31.956 31.823 0.005 0.000 0.743 413 V HN 0.510 nan 8.190 nan 0.000 0.468 414 E N 1.506 121.718 120.200 0.020 0.000 2.014 414 E HA -0.218 4.134 4.350 0.003 0.000 0.190 414 E C 2.093 178.704 176.600 0.018 0.000 0.980 414 E CA 1.259 57.671 56.400 0.020 0.000 0.807 414 E CB -0.454 29.263 29.700 0.028 0.000 0.770 414 E HN 0.538 nan 8.360 nan 0.000 0.451 415 N N 0.765 119.482 118.700 0.029 0.000 2.137 415 N HA -0.141 4.601 4.740 0.003 0.000 0.190 415 N C 1.913 177.449 175.510 0.042 0.000 1.017 415 N CA 1.510 54.581 53.050 0.035 0.000 0.859 415 N CB -0.036 38.511 38.487 0.100 0.000 1.002 415 N HN 0.037 nan 8.380 nan 0.000 0.428 416 V N 0.721 120.660 119.914 0.041 0.000 3.078 416 V HA -0.092 4.030 4.120 0.003 0.000 0.265 416 V C 2.091 178.200 176.094 0.024 0.000 1.122 416 V CA 1.565 63.887 62.300 0.035 0.000 1.141 416 V CB -0.366 31.475 31.823 0.029 0.000 0.735 416 V HN 0.418 nan 8.190 nan 0.000 0.498 417 E N -0.109 120.102 120.200 0.018 0.000 2.434 417 E HA -0.051 4.301 4.350 0.003 0.000 0.207 417 E C 2.197 178.800 176.600 0.005 0.000 0.929 417 E CA -0.139 56.267 56.400 0.011 0.000 1.001 417 E CB 0.191 29.895 29.700 0.007 0.000 1.016 417 E HN 0.337 nan 8.360 nan 0.000 0.502 418 R N 0.800 121.301 120.500 0.002 0.000 2.096 418 R HA -0.130 4.211 4.340 0.003 0.000 0.240 418 R C 1.974 178.271 176.300 -0.005 0.000 1.139 418 R CA 2.066 58.160 56.100 -0.010 0.000 0.952 418 R CB -0.984 29.298 30.300 -0.030 0.000 0.854 418 R HN 0.124 nan 8.270 nan 0.000 0.436 419 V N 0.915 120.832 119.914 0.005 0.000 2.392 419 V HA -0.298 3.823 4.120 0.003 0.000 0.249 419 V C 2.336 178.435 176.094 0.008 0.000 1.059 419 V CA 1.935 64.241 62.300 0.011 0.000 1.051 419 V CB -0.560 31.277 31.823 0.023 0.000 0.658 419 V HN 0.324 nan 8.190 nan 0.000 0.455 420 M N -0.256 119.349 119.600 0.008 0.000 2.255 420 M HA -0.208 4.274 4.480 0.003 0.000 0.259 420 M C 2.094 178.396 176.300 0.004 0.000 1.071 420 M CA 2.332 57.636 55.300 0.007 0.000 1.074 420 M CB -1.202 31.401 32.600 0.006 0.000 1.384 420 M HN 0.496 nan 8.290 nan 0.000 0.415 421 A N -0.732 122.089 122.820 0.001 0.000 1.984 421 A HA 0.035 4.357 4.320 0.003 0.000 0.203 421 A C 1.965 179.549 177.584 -0.001 0.000 1.292 421 A CA 0.211 52.248 52.037 -0.001 0.000 0.782 421 A CB -0.144 18.854 19.000 -0.003 0.000 0.924 421 A HN 0.419 nan 8.150 nan 0.000 0.475 422 E N 0.589 120.788 120.200 -0.003 0.000 2.005 422 E HA -0.217 4.134 4.350 0.003 0.000 0.198 422 E C 1.477 178.077 176.600 0.001 0.000 1.010 422 E CA 1.678 58.076 56.400 -0.004 0.000 0.825 422 E CB -0.232 29.464 29.700 -0.007 0.000 0.769 422 E HN 0.677 nan 8.360 nan 0.000 0.456 423 E N -0.536 119.667 120.200 0.005 0.000 2.489 423 E HA 0.060 4.412 4.350 0.003 0.000 0.193 423 E C 0.924 177.528 176.600 0.007 0.000 1.057 423 E CA 0.258 56.662 56.400 0.007 0.000 0.866 423 E CB 0.444 30.150 29.700 0.011 0.000 0.916 423 E HN 0.439 nan 8.360 nan 0.000 0.500 424 G N 1.948 110.751 108.800 0.006 0.000 2.212 424 G HA2 -0.320 3.642 3.960 0.003 0.000 0.267 424 G HA3 -0.320 3.642 3.960 0.003 0.000 0.267 424 G C 0.288 175.192 174.900 0.007 0.000 1.002 424 G CA 0.398 45.501 45.100 0.006 0.000 0.729 424 G HN 0.181 nan 8.290 nan 0.000 0.517 425 L N 1.160 122.389 121.223 0.009 0.000 2.453 425 L HA 0.370 4.711 4.340 0.003 0.000 0.261 425 L C -0.998 175.878 176.870 0.011 0.000 1.179 425 L CA -2.082 52.764 54.840 0.010 0.000 0.813 425 L CB 0.213 42.280 42.059 0.013 0.000 1.110 425 L HN -0.028 nan 8.230 nan 0.000 0.466 426 P HA 0.011 nan 4.420 nan 0.000 0.267 426 P C -2.201 175.107 177.300 0.013 0.000 1.201 426 P CA -1.068 62.039 63.100 0.011 0.000 0.775 426 P CB -0.110 31.596 31.700 0.010 0.000 0.854 427 P HA -0.231 nan 4.420 nan 0.000 0.209 427 P C 1.221 178.531 177.300 0.016 0.000 1.167 427 P CA 2.087 65.196 63.100 0.015 0.000 0.941 427 P CB -0.133 31.577 31.700 0.016 0.000 0.787 428 K N -0.444 119.965 120.400 0.015 0.000 2.009 428 K HA -0.153 4.169 4.320 0.003 0.000 0.210 428 K C 2.198 178.809 176.600 0.017 0.000 1.049 428 K CA 1.389 57.685 56.287 0.015 0.000 0.929 428 K CB -0.514 31.993 32.500 0.011 0.000 0.714 428 K HN 0.110 nan 8.250 nan 0.000 0.440 429 E N 0.620 120.829 120.200 0.015 0.000 2.209 429 E HA -0.167 4.185 4.350 0.003 0.000 0.196 429 E C 1.947 178.559 176.600 0.021 0.000 0.993 429 E CA 1.292 57.702 56.400 0.017 0.000 0.819 429 E CB -0.214 29.495 29.700 0.014 0.000 0.745 429 E HN 0.404 nan 8.360 nan 0.000 0.477 430 A N 0.443 123.276 122.820 0.021 0.000 1.874 430 A HA -0.065 4.257 4.320 0.003 0.000 0.214 430 A C 2.387 179.988 177.584 0.029 0.000 1.189 430 A CA 1.539 53.590 52.037 0.024 0.000 0.615 430 A CB -0.729 18.283 19.000 0.021 0.000 0.830 430 A HN 0.210 nan 8.150 nan 0.000 0.443 431 T N 0.223 114.794 114.554 0.028 0.000 2.822 431 T HA -0.166 4.186 4.350 0.003 0.000 0.270 431 T C 1.934 176.656 174.700 0.037 0.000 1.064 431 T CA 1.653 63.771 62.100 0.031 0.000 1.131 431 T CB -0.268 68.616 68.868 0.027 0.000 0.858 431 T HN 0.501 nan 8.240 nan 0.000 0.483 432 R N 0.949 121.472 120.500 0.038 0.000 2.060 432 R HA 0.005 4.347 4.340 0.003 0.000 0.225 432 R C 2.574 178.899 176.300 0.042 0.000 1.155 432 R CA 0.896 57.023 56.100 0.044 0.000 0.930 432 R CB -0.193 30.134 30.300 0.043 0.000 0.829 432 R HN 0.217 nan 8.270 nan 0.000 0.433 433 K N 1.093 121.515 120.400 0.038 0.000 2.089 433 K HA -0.137 4.184 4.320 0.003 0.000 0.210 433 K C 2.131 178.760 176.600 0.049 0.000 1.048 433 K CA 1.628 57.938 56.287 0.038 0.000 0.926 433 K CB -0.693 31.829 32.500 0.036 0.000 0.714 433 K HN 0.092 nan 8.250 nan 0.000 0.448 434 S N 1.568 117.299 115.700 0.051 0.000 2.377 434 S HA -0.172 4.299 4.470 0.003 0.000 0.224 434 S C 1.841 176.479 174.600 0.063 0.000 1.042 434 S CA 1.786 60.025 58.200 0.064 0.000 1.086 434 S CB -0.241 62.990 63.200 0.051 0.000 0.995 434 S HN 0.199 nan 8.310 nan 0.000 0.428 435 M N 1.381 121.008 119.600 0.045 0.000 2.686 435 M HA 0.142 4.623 4.480 0.003 0.000 0.246 435 M C 1.622 177.935 176.300 0.021 0.000 1.096 435 M CA 0.059 55.378 55.300 0.032 0.000 1.076 435 M CB -0.634 31.985 32.600 0.031 0.000 1.504 435 M HN 0.340 nan 8.290 nan 0.000 0.524 436 G N -0.520 108.295 108.800 0.026 0.000 3.026 436 G HA2 -0.011 3.951 3.960 0.003 0.000 0.208 436 G HA3 -0.011 3.951 3.960 0.003 0.000 0.208 436 G C 1.045 175.936 174.900 -0.016 0.000 1.169 436 G CA 0.283 45.390 45.100 0.011 0.000 0.788 436 G HN 0.628 nan 8.290 nan 0.000 0.533 437 Q N -0.968 118.815 119.800 -0.028 0.000 2.536 437 Q HA 0.216 4.557 4.340 0.003 0.000 0.212 437 Q C 1.955 177.848 176.000 -0.179 0.000 0.743 437 Q CA -0.265 55.467 55.803 -0.119 0.000 0.929 437 Q CB -0.158 28.512 28.738 -0.113 0.000 1.313 437 Q HN 0.340 nan 8.270 nan 0.000 0.524 438 I N 2.385 122.897 120.570 -0.096 0.000 2.850 438 I HA -0.205 3.967 4.170 0.003 0.000 0.266 438 I C 2.519 178.596 176.117 -0.068 0.000 1.257 438 I CA 0.910 62.162 61.300 -0.081 0.000 1.465 438 I CB -0.436 37.578 38.000 0.024 0.000 1.091 438 I HN 0.385 nan 8.210 nan 0.000 0.467 439 Q N 1.823 121.589 119.800 -0.055 0.000 1.706 439 Q HA -0.277 4.064 4.340 0.003 0.000 0.379 439 Q C 2.245 178.215 176.000 -0.050 0.000 1.032 439 Q CA 2.758 58.536 55.803 -0.041 0.000 0.883 439 Q CB -0.575 28.147 28.738 -0.028 0.000 0.968 439 Q HN 0.487 nan 8.270 nan 0.000 0.403 440 G N -0.002 108.770 108.800 -0.047 0.000 2.476 440 G HA2 -0.295 3.667 3.960 0.003 0.000 0.218 440 G HA3 -0.295 3.667 3.960 0.003 0.000 0.218 440 G C 1.517 176.373 174.900 -0.074 0.000 1.164 440 G CA 1.813 46.883 45.100 -0.051 0.000 0.768 440 G HN 0.677 nan 8.290 nan 0.000 0.560 441 A N 0.945 123.709 122.820 -0.094 0.000 1.870 441 A HA -0.174 4.148 4.320 0.003 0.000 0.219 441 A C 2.472 180.013 177.584 -0.072 0.000 1.224 441 A CA 1.922 53.897 52.037 -0.104 0.000 0.650 441 A CB -0.829 18.084 19.000 -0.144 0.000 0.836 441 A HN 0.396 nan 8.150 nan 0.000 0.454 442 L N -1.003 120.185 121.223 -0.059 0.000 2.034 442 L HA -0.270 4.072 4.340 0.003 0.000 0.217 442 L C 2.562 179.404 176.870 -0.047 0.000 1.077 442 L CA 1.736 56.551 54.840 -0.043 0.000 0.769 442 L CB -0.751 41.285 42.059 -0.037 0.000 0.890 442 L HN 0.332 nan 8.230 nan 0.000 0.435 443 V N -0.089 119.791 119.914 -0.056 0.000 2.222 443 V HA -0.252 3.869 4.120 0.003 0.000 0.240 443 V C 2.575 178.633 176.094 -0.060 0.000 1.040 443 V CA 2.185 64.450 62.300 -0.058 0.000 0.988 443 V CB -1.347 30.437 31.823 -0.066 0.000 0.633 443 V HN 0.575 nan 8.190 nan 0.000 0.452 444 G N -0.149 108.606 108.800 -0.075 0.000 2.649 444 G HA2 -0.336 3.625 3.960 0.003 0.000 0.220 444 G HA3 -0.336 3.625 3.960 0.003 0.000 0.220 444 G C 1.531 176.396 174.900 -0.058 0.000 1.189 444 G CA 1.671 46.724 45.100 -0.079 0.000 0.777 444 G HN 0.499 nan 8.290 nan 0.000 0.602 445 I N 1.417 121.955 120.570 -0.053 0.000 2.091 445 I HA -0.355 3.817 4.170 0.003 0.000 0.240 445 I C 3.321 179.431 176.117 -0.012 0.000 1.046 445 I CA 1.633 62.914 61.300 -0.031 0.000 1.306 445 I CB -0.422 37.563 38.000 -0.025 0.000 1.018 445 I HN 0.309 nan 8.210 nan 0.000 0.404 446 A N -0.044 122.764 122.820 -0.020 0.000 1.855 446 A HA -0.257 4.064 4.320 0.003 0.000 0.215 446 A C 2.253 179.831 177.584 -0.009 0.000 1.191 446 A CA 1.949 53.975 52.037 -0.018 0.000 0.613 446 A CB -0.674 18.305 19.000 -0.036 0.000 0.829 446 A HN 0.408 nan 8.150 nan 0.000 0.442 447 M N -0.130 119.456 119.600 -0.022 0.000 2.346 447 M HA -0.084 4.398 4.480 0.003 0.000 0.263 447 M C 1.748 178.047 176.300 -0.002 0.000 1.064 447 M CA 1.284 56.574 55.300 -0.018 0.000 1.083 447 M CB -0.511 32.067 32.600 -0.037 0.000 1.399 447 M HN 0.136 nan 8.290 nan 0.000 0.435 448 V N -0.082 119.830 119.914 -0.004 0.000 2.307 448 V HA -0.260 3.862 4.120 0.003 0.000 0.245 448 V C 2.271 178.394 176.094 0.049 0.000 1.045 448 V CA 1.690 63.990 62.300 0.001 0.000 1.024 448 V CB -0.680 31.131 31.823 -0.019 0.000 0.651 448 V HN 0.513 nan 8.190 nan 0.000 0.449 449 L N -0.230 121.061 121.223 0.113 0.000 2.083 449 L HA -0.140 4.202 4.340 0.003 0.000 0.209 449 L C 2.551 179.644 176.870 0.373 0.000 1.083 449 L CA 1.820 56.835 54.840 0.292 0.000 0.752 449 L CB -1.104 41.219 42.059 0.441 0.000 0.899 449 L HN 0.373 nan 8.230 nan 0.000 0.433 450 S N 0.111 115.932 115.700 0.202 0.000 2.493 450 S HA -0.089 4.383 4.470 0.003 0.000 0.243 450 S C 1.576 176.260 174.600 0.139 0.000 0.991 450 S CA 0.993 59.293 58.200 0.167 0.000 0.957 450 S CB -0.137 63.102 63.200 0.066 0.000 0.756 450 S HN 0.476 nan 8.310 nan 0.000 0.521 451 A N 0.161 123.036 122.820 0.091 0.000 2.415 451 A HA 0.491 4.812 4.320 0.003 0.000 0.248 451 A C 1.250 178.817 177.584 -0.030 0.000 1.299 451 A CA 0.341 52.388 52.037 0.016 0.000 0.899 451 A CB -0.092 18.899 19.000 -0.015 0.000 0.997 451 A HN 0.976 nan 8.150 nan 0.000 0.506 452 V N -6.765 113.143 119.914 -0.010 0.000 3.356 452 V HA 0.384 4.505 4.120 0.003 0.000 0.274 452 V C 1.122 177.014 176.094 -0.337 0.000 1.631 452 V CA 0.267 62.437 62.300 -0.217 0.000 1.025 452 V CB -0.911 30.700 31.823 -0.353 0.000 0.840 452 V HN 0.162 nan 8.190 nan 0.000 0.419 453 F N 0.411 120.351 119.950 -0.016 0.000 2.480 453 F HA 0.411 4.939 4.527 0.003 0.000 0.280 453 F C 2.232 178.063 175.800 0.051 0.000 1.002 453 F CA 1.461 59.464 58.000 0.005 0.000 1.325 453 F CB -0.297 38.721 39.000 0.031 0.000 1.134 453 F HN -0.077 nan 8.300 nan 0.000 0.646 454 V N 1.498 121.597 119.914 0.308 0.000 2.233 454 V HA -0.226 3.895 4.120 0.003 0.000 0.247 454 V C -0.435 175.851 176.094 0.321 0.000 1.050 454 V CA 2.318 64.801 62.300 0.306 0.000 1.010 454 V CB -1.863 30.112 31.823 0.253 0.000 0.637 454 V HN 0.126 nan 8.190 nan 0.000 0.444 455 P HA -0.222 nan 4.420 nan 0.000 0.217 455 P C 1.924 179.303 177.300 0.131 0.000 1.158 455 P CA 1.811 64.953 63.100 0.070 0.000 0.887 455 P CB -0.172 31.515 31.700 -0.023 0.000 0.792 456 M N -1.655 117.966 119.600 0.035 0.000 2.213 456 M HA -0.074 4.407 4.480 0.003 0.000 0.263 456 M C 2.071 178.442 176.300 0.118 0.000 1.062 456 M CA 1.615 56.856 55.300 -0.099 0.000 1.105 456 M CB -1.983 30.428 32.600 -0.315 0.000 1.385 456 M HN -0.114 nan 8.290 nan 0.000 0.417 457 A N 0.752 123.725 122.820 0.255 0.000 1.852 457 A HA -0.172 4.150 4.320 0.003 0.000 0.217 457 A C 0.662 178.413 177.584 0.278 0.000 1.215 457 A CA 1.139 53.327 52.037 0.251 0.000 0.641 457 A CB -1.369 17.726 19.000 0.158 0.000 0.838 457 A HN 0.369 nan 8.150 nan 0.000 0.450 458 F N -0.258 119.804 119.950 0.187 0.000 2.452 458 F HA 0.374 4.903 4.527 0.003 0.000 0.358 458 F C -0.029 175.975 175.800 0.339 0.000 1.141 458 F CA 0.788 58.912 58.000 0.207 0.000 1.004 458 F CB -1.008 38.085 39.000 0.155 0.000 1.046 458 F HN 0.198 nan 8.300 nan 0.000 0.575 459 F N 0.121 120.192 119.950 0.201 0.000 2.654 459 F HA 0.511 5.039 4.527 0.003 0.000 0.308 459 F C 1.140 176.979 175.800 0.066 0.000 1.108 459 F CA -0.655 57.436 58.000 0.152 0.000 0.957 459 F CB 1.421 40.539 39.000 0.197 0.000 1.309 459 F HN 0.538 nan 8.300 nan 0.000 0.446 460 G N 2.052 110.635 108.800 -0.362 0.000 3.451 460 G HA2 -0.224 3.737 3.960 0.003 0.000 0.371 460 G HA3 -0.224 3.737 3.960 0.003 0.000 0.371 460 G C 0.972 175.799 174.900 -0.122 0.000 0.895 460 G CA 1.368 46.276 45.100 -0.321 0.000 0.744 460 G HN 1.432 nan 8.290 nan 0.000 1.227 461 G N -2.944 105.787 108.800 -0.115 0.000 2.570 461 G HA2 0.315 4.277 3.960 0.003 0.000 0.213 461 G HA3 0.315 4.277 3.960 0.003 0.000 0.213 461 G C 1.660 176.542 174.900 -0.030 0.000 1.391 461 G CA 1.324 46.397 45.100 -0.045 0.000 0.533 461 G HN 1.090 nan 8.290 nan 0.000 1.072 462 S N 0.053 115.720 115.700 -0.055 0.000 2.384 462 S HA 0.046 4.517 4.470 0.003 0.000 0.217 462 S C 2.411 177.002 174.600 -0.015 0.000 1.041 462 S CA 1.998 60.179 58.200 -0.031 0.000 0.948 462 S CB -0.578 62.578 63.200 -0.072 0.000 0.872 462 S HN 0.230 nan 8.310 nan 0.000 0.512 463 T N 1.626 116.146 114.554 -0.056 0.000 2.536 463 T HA -0.136 4.216 4.350 0.003 0.000 0.263 463 T C 1.856 176.448 174.700 -0.179 0.000 1.115 463 T CA 1.851 63.876 62.100 -0.125 0.000 1.180 463 T CB -1.414 67.337 68.868 -0.194 0.000 0.864 463 T HN 0.588 nan 8.240 nan 0.000 0.419 464 G N 1.183 109.975 108.800 -0.013 0.000 2.517 464 G HA2 -0.147 3.815 3.960 0.003 0.000 0.222 464 G HA3 -0.147 3.815 3.960 0.003 0.000 0.222 464 G C 1.662 176.607 174.900 0.075 0.000 1.109 464 G CA 1.046 46.236 45.100 0.150 0.000 0.746 464 G HN 0.685 nan 8.290 nan 0.000 0.576 465 A N -0.101 122.736 122.820 0.028 0.000 2.234 465 A HA 0.149 4.471 4.320 0.003 0.000 0.216 465 A C 2.105 179.721 177.584 0.054 0.000 1.167 465 A CA 1.365 53.416 52.037 0.024 0.000 0.698 465 A CB -0.247 18.775 19.000 0.036 0.000 0.779 465 A HN 0.525 nan 8.150 nan 0.000 0.475 466 I N -4.440 116.176 120.570 0.077 0.000 3.873 466 I HA 0.013 4.185 4.170 0.003 0.000 0.284 466 I C 1.957 178.276 176.117 0.337 0.000 1.186 466 I CA -0.056 61.353 61.300 0.181 0.000 1.362 466 I CB -0.580 37.463 38.000 0.071 0.000 1.432 466 I HN 0.250 nan 8.210 nan 0.000 0.454 467 Y N 2.027 122.354 120.300 0.044 0.000 2.181 467 Y HA -0.316 4.236 4.550 0.003 0.000 0.284 467 Y C 2.941 178.944 175.900 0.172 0.000 1.179 467 Y CA 1.377 59.485 58.100 0.013 0.000 1.179 467 Y CB -0.146 38.290 38.460 -0.040 0.000 0.973 467 Y HN 0.177 nan 8.280 nan 0.000 0.519 468 R N 0.473 121.150 120.500 0.295 0.000 2.066 468 R HA -0.153 4.189 4.340 0.003 0.000 0.224 468 R C 2.232 178.650 176.300 0.197 0.000 1.122 468 R CA 1.084 57.300 56.100 0.193 0.000 0.974 468 R CB -0.254 30.061 30.300 0.026 0.000 0.871 468 R HN 0.089 nan 8.270 nan 0.000 0.435 469 Q N -0.381 119.469 119.800 0.083 0.000 2.325 469 Q HA -0.164 4.178 4.340 0.003 0.000 0.211 469 Q C 0.704 176.836 176.000 0.219 0.000 0.988 469 Q CA 1.669 57.480 55.803 0.014 0.000 0.887 469 Q CB -0.095 28.640 28.738 -0.006 0.000 0.915 469 Q HN 0.321 nan 8.270 nan 0.000 0.440 470 F N -1.648 118.395 119.950 0.154 0.000 2.258 470 F HA 0.077 4.606 4.527 0.003 0.000 0.262 470 F C 2.454 178.372 175.800 0.198 0.000 1.124 470 F CA 0.963 59.075 58.000 0.187 0.000 1.069 470 F CB -1.268 37.839 39.000 0.177 0.000 1.081 470 F HN 0.036 nan 8.300 nan 0.000 0.555 471 S N 0.783 116.747 115.700 0.440 0.000 2.343 471 S HA -0.364 4.107 4.470 0.003 0.000 0.324 471 S C 1.982 176.713 174.600 0.218 0.000 1.144 471 S CA 2.726 61.127 58.200 0.334 0.000 1.548 471 S CB -1.042 62.324 63.200 0.277 0.000 1.368 471 S HN 0.239 nan 8.310 nan 0.000 0.477 472 I N 1.706 122.391 120.570 0.192 0.000 2.286 472 I HA -0.107 4.065 4.170 0.003 0.000 0.248 472 I C 2.667 178.765 176.117 -0.031 0.000 1.115 472 I CA 1.982 63.294 61.300 0.020 0.000 1.392 472 I CB -1.345 36.590 38.000 -0.109 0.000 1.065 472 I HN 0.421 nan 8.210 nan 0.000 0.418 473 T N 0.390 115.006 114.554 0.103 0.000 2.802 473 T HA -0.174 4.178 4.350 0.003 0.000 0.269 473 T C 1.884 176.558 174.700 -0.043 0.000 1.062 473 T CA 1.554 63.678 62.100 0.039 0.000 1.133 473 T CB -0.241 68.661 68.868 0.055 0.000 0.852 473 T HN 0.313 nan 8.240 nan 0.000 0.485 474 I N -0.207 120.327 120.570 -0.060 0.000 3.081 474 I HA 0.002 4.173 4.170 0.003 0.000 0.274 474 I C 2.245 178.161 176.117 -0.335 0.000 1.178 474 I CA 0.263 61.438 61.300 -0.207 0.000 1.460 474 I CB -0.020 37.816 38.000 -0.272 0.000 1.137 474 I HN 0.058 nan 8.210 nan 0.000 0.443 475 V N 1.367 121.129 119.914 -0.253 0.000 2.255 475 V HA -0.303 3.819 4.120 0.003 0.000 0.247 475 V C 2.726 178.708 176.094 -0.186 0.000 1.051 475 V CA 2.395 64.561 62.300 -0.222 0.000 1.018 475 V CB -1.116 30.646 31.823 -0.103 0.000 0.641 475 V HN 0.592 nan 8.190 nan 0.000 0.445 476 S N 1.813 117.407 115.700 -0.176 0.000 2.368 476 S HA -0.287 4.185 4.470 0.003 0.000 0.226 476 S C 2.068 176.593 174.600 -0.125 0.000 1.044 476 S CA 1.831 59.936 58.200 -0.158 0.000 1.062 476 S CB -0.865 62.225 63.200 -0.184 0.000 0.931 476 S HN 0.668 nan 8.310 nan 0.000 0.440 477 A N 1.008 123.748 122.820 -0.134 0.000 2.014 477 A HA 0.274 4.596 4.320 0.003 0.000 0.218 477 A C 2.227 179.730 177.584 -0.134 0.000 1.163 477 A CA 1.249 53.213 52.037 -0.122 0.000 0.652 477 A CB -0.616 18.311 19.000 -0.122 0.000 0.808 477 A HN 0.638 nan 8.150 nan 0.000 0.449 478 M N -0.886 118.608 119.600 -0.178 0.000 2.492 478 M HA 0.076 4.558 4.480 0.003 0.000 0.262 478 M C 2.009 178.238 176.300 -0.117 0.000 1.090 478 M CA 0.916 56.114 55.300 -0.171 0.000 1.110 478 M CB -0.157 32.286 32.600 -0.263 0.000 1.407 478 M HN 0.454 nan 8.290 nan 0.000 0.470 479 A N 1.066 123.822 122.820 -0.107 0.000 1.821 479 A HA -0.107 4.215 4.320 0.003 0.000 0.215 479 A C 1.804 179.346 177.584 -0.070 0.000 1.214 479 A CA 1.224 53.214 52.037 -0.078 0.000 0.608 479 A CB -1.146 17.812 19.000 -0.069 0.000 0.862 479 A HN 0.518 nan 8.150 nan 0.000 0.448 480 L N 0.445 121.628 121.223 -0.067 0.000 2.357 480 L HA -0.239 4.102 4.340 0.003 0.000 0.220 480 L C 2.784 179.615 176.870 -0.065 0.000 1.123 480 L CA 1.209 56.013 54.840 -0.060 0.000 0.782 480 L CB -0.611 41.415 42.059 -0.056 0.000 0.910 480 L HN 0.585 nan 8.230 nan 0.000 0.442 481 S N -0.078 115.580 115.700 -0.070 0.000 2.363 481 S HA -0.175 4.296 4.470 0.003 0.000 0.218 481 S C 1.927 176.491 174.600 -0.061 0.000 1.035 481 S CA 1.766 59.926 58.200 -0.066 0.000 1.043 481 S CB -0.189 62.968 63.200 -0.071 0.000 0.986 481 S HN 0.172 nan 8.310 nan 0.000 0.423 482 V N 2.658 122.535 119.914 -0.062 0.000 2.214 482 V HA -0.177 3.945 4.120 0.003 0.000 0.245 482 V C 2.509 178.559 176.094 -0.073 0.000 1.047 482 V CA 2.206 64.469 62.300 -0.061 0.000 0.998 482 V CB -1.021 30.766 31.823 -0.060 0.000 0.633 482 V HN 0.498 nan 8.190 nan 0.000 0.446 483 L N -0.065 121.108 121.223 -0.083 0.000 1.951 483 L HA -0.249 4.092 4.340 0.003 0.000 0.222 483 L C 2.489 179.295 176.870 -0.107 0.000 1.078 483 L CA 1.909 56.684 54.840 -0.108 0.000 0.778 483 L CB -1.077 40.920 42.059 -0.102 0.000 0.893 483 L HN 0.209 nan 8.230 nan 0.000 0.436 484 V N 0.032 119.894 119.914 -0.086 0.000 2.439 484 V HA -0.335 3.787 4.120 0.003 0.000 0.253 484 V C 2.427 178.472 176.094 -0.081 0.000 1.074 484 V CA 1.949 64.200 62.300 -0.081 0.000 1.076 484 V CB -1.016 30.767 31.823 -0.067 0.000 0.664 484 V HN 0.573 nan 8.190 nan 0.000 0.461 485 A N -1.628 121.148 122.820 -0.073 0.000 2.195 485 A HA 0.206 4.527 4.320 0.003 0.000 0.210 485 A C 1.873 179.423 177.584 -0.058 0.000 1.165 485 A CA 0.636 52.638 52.037 -0.060 0.000 0.806 485 A CB 0.014 18.986 19.000 -0.047 0.000 0.847 485 A HN 0.429 nan 8.150 nan 0.000 0.482 486 L N -0.688 120.489 121.223 -0.077 0.000 2.500 486 L HA 0.338 4.679 4.340 0.003 0.000 0.219 486 L C 1.692 178.497 176.870 -0.108 0.000 1.057 486 L CA 1.245 56.037 54.840 -0.081 0.000 0.854 486 L CB 0.037 42.039 42.059 -0.095 0.000 1.078 486 L HN 0.454 nan 8.230 nan 0.000 0.480 487 I N -4.083 116.391 120.570 -0.160 0.000 3.939 487 I HA 0.139 4.311 4.170 0.003 0.000 0.313 487 I C 1.778 177.902 176.117 0.012 0.000 1.274 487 I CA 0.217 61.385 61.300 -0.221 0.000 1.301 487 I CB 0.011 37.667 38.000 -0.574 0.000 1.105 487 I HN 0.156 nan 8.210 nan 0.000 0.427 488 L N 0.972 122.161 121.223 -0.056 0.000 2.349 488 L HA 0.217 4.558 4.340 0.003 0.000 0.200 488 L C 2.234 179.018 176.870 -0.142 0.000 1.064 488 L CA 1.847 56.623 54.840 -0.107 0.000 0.821 488 L CB -0.468 41.502 42.059 -0.148 0.000 1.027 488 L HN 0.033 nan 8.230 nan 0.000 0.476 489 T N 1.339 115.831 114.554 -0.103 0.000 2.614 489 T HA -0.084 4.267 4.350 0.003 0.000 0.263 489 T C -0.623 174.043 174.700 -0.057 0.000 1.055 489 T CA 2.138 64.186 62.100 -0.086 0.000 1.162 489 T CB -1.352 67.481 68.868 -0.058 0.000 0.863 489 T HN 0.251 nan 8.240 nan 0.000 0.414 490 P HA -0.089 nan 4.420 nan 0.000 0.217 490 P C 1.261 178.568 177.300 0.012 0.000 1.148 490 P CA 1.405 64.510 63.100 0.009 0.000 0.834 490 P CB -0.171 31.547 31.700 0.031 0.000 0.783 491 A N -0.733 122.088 122.820 0.002 0.000 1.855 491 A HA -0.057 4.265 4.320 0.003 0.000 0.213 491 A C 2.116 179.641 177.584 -0.098 0.000 1.195 491 A CA 1.013 53.041 52.037 -0.015 0.000 0.610 491 A CB -1.472 17.536 19.000 0.013 0.000 0.837 491 A HN 0.099 nan 8.150 nan 0.000 0.444 492 L N -0.438 120.670 121.223 -0.191 0.000 2.362 492 L HA -0.189 4.153 4.340 0.003 0.000 0.219 492 L C 2.138 178.956 176.870 -0.087 0.000 1.134 492 L CA 0.535 55.239 54.840 -0.227 0.000 0.807 492 L CB -0.484 41.382 42.059 -0.321 0.000 0.927 492 L HN 0.516 nan 8.230 nan 0.000 0.447 493 C N -0.921 118.348 119.300 -0.052 0.000 2.518 493 C HA 0.163 4.625 4.460 0.003 0.000 0.283 493 C C 2.859 177.851 174.990 0.003 0.000 1.351 493 C CA 0.302 59.312 59.018 -0.014 0.000 1.745 493 C CB -0.568 27.168 27.740 -0.007 0.000 2.107 493 C HN 0.561 nan 8.230 nan 0.000 0.502 494 A N 0.518 123.340 122.820 0.003 0.000 2.209 494 A HA -0.018 4.304 4.320 0.003 0.000 0.212 494 A C 1.987 179.583 177.584 0.019 0.000 1.158 494 A CA 1.882 53.928 52.037 0.014 0.000 0.742 494 A CB -0.536 18.475 19.000 0.019 0.000 0.790 494 A HN 0.578 nan 8.150 nan 0.000 0.472 495 T N 0.059 114.626 114.554 0.022 0.000 3.004 495 T HA 0.195 4.547 4.350 0.003 0.000 0.243 495 T C 0.766 175.492 174.700 0.044 0.000 1.020 495 T CA 0.636 62.761 62.100 0.041 0.000 1.145 495 T CB -0.073 68.835 68.868 0.065 0.000 0.876 495 T HN 0.423 nan 8.240 nan 0.000 0.449 496 M N 2.237 121.862 119.600 0.043 0.000 2.066 496 M HA 0.650 5.132 4.480 0.003 0.000 0.340 496 M C -1.214 175.110 176.300 0.039 0.000 1.053 496 M CA -0.191 55.137 55.300 0.047 0.000 0.983 496 M CB 0.980 33.617 32.600 0.063 0.000 1.520 496 M HN 0.124 nan 8.290 nan 0.000 0.428 497 L N 1.952 123.195 121.223 0.034 0.000 3.067 497 L HA 0.448 4.790 4.340 0.003 0.000 0.252 497 L C -1.140 175.744 176.870 0.023 0.000 0.984 497 L CA -0.743 54.115 54.840 0.030 0.000 1.032 497 L CB 2.325 44.399 42.059 0.025 0.000 1.505 497 L HN 0.688 nan 8.230 nan 0.000 0.408 498 K N 1.962 122.374 120.400 0.019 0.000 2.587 498 K HA 0.387 4.709 4.320 0.003 0.000 0.256 498 K C -2.470 174.136 176.600 0.010 0.000 0.974 498 K CA -1.045 55.251 56.287 0.014 0.000 0.855 498 K CB 2.813 35.322 32.500 0.015 0.000 1.292 498 K HN 0.380 nan 8.250 nan 0.000 0.444 499 P HA 0.425 nan 4.420 nan 0.000 0.310 499 P C -0.334 176.969 177.300 0.005 0.000 1.309 499 P CA -0.201 62.903 63.100 0.006 0.000 0.753 499 P CB 0.670 32.375 31.700 0.008 0.000 1.491 500 I N -4.571 116.001 120.570 0.004 0.000 1.642 500 I HA 0.005 4.176 4.170 0.003 0.000 0.315 500 I C -0.361 175.758 176.117 0.003 0.000 3.084 500 I CA -0.591 60.711 61.300 0.004 0.000 1.028 500 I CB -0.359 37.643 38.000 0.004 0.000 2.455 500 I HN 0.361 nan 8.210 nan 0.000 0.686 501 A N 4.223 127.045 122.820 0.004 0.000 2.346 501 A HA 0.412 4.734 4.320 0.003 0.000 0.242 501 A C 0.287 177.872 177.584 0.003 0.000 1.323 501 A CA 0.664 52.703 52.037 0.003 0.000 0.940 501 A CB -0.378 18.624 19.000 0.004 0.000 0.943 501 A HN 0.584 nan 8.150 nan 0.000 0.501 511 G N -0.331 108.596 108.800 0.212 0.000 3.271 511 G HA2 0.615 4.576 3.960 0.003 0.000 0.174 511 G HA3 0.615 4.576 3.960 0.003 0.000 0.174 511 G C -0.217 174.930 174.900 0.412 0.000 1.385 511 G CA 0.084 45.335 45.100 0.252 0.000 0.979 511 G HN 0.852 nan 8.290 nan 0.000 0.610 512 F N -1.878 118.158 119.950 0.144 0.000 2.183 512 F HA -0.274 4.254 4.527 0.002 0.000 0.318 512 F C 0.763 176.793 175.800 0.383 0.000 0.144 512 F CA 1.348 59.475 58.000 0.211 0.000 0.912 512 F CB -0.671 38.448 39.000 0.198 0.000 4.135 512 F HN 0.374 nan 8.300 nan 0.000 0.137 513 F N 1.071 121.231 119.950 0.350 0.000 2.727 513 F HA 0.384 4.913 4.527 0.002 0.000 0.302 513 F C 1.560 177.657 175.800 0.495 0.000 1.097 513 F CA 0.862 59.135 58.000 0.455 0.000 1.330 513 F CB 0.211 39.313 39.000 0.169 0.000 1.084 513 F HN 0.445 nan 8.300 nan 0.000 0.578 514 G N 0.304 109.459 108.800 0.591 0.000 3.448 514 G HA2 -0.074 3.888 3.960 0.003 0.000 0.261 514 G HA3 -0.074 3.888 3.960 0.003 0.000 0.261 514 G C 0.929 175.971 174.900 0.237 0.000 1.173 514 G CA 0.115 45.405 45.100 0.315 0.000 0.835 514 G HN 0.627 nan 8.290 nan 0.000 0.534 515 W N -0.842 120.496 121.300 0.064 0.000 2.812 515 W HA 0.219 4.881 4.660 0.004 0.000 0.263 515 W C 1.344 177.838 176.519 -0.042 0.000 1.284 515 W CA -0.564 56.783 57.345 0.004 0.000 1.430 515 W CB -1.032 28.411 29.460 -0.028 0.000 1.088 515 W HN 0.136 nan 8.180 nan 0.000 0.623 516 F N 4.792 123.951 119.950 -1.318 0.000 2.050 516 F HA -0.480 4.048 4.527 0.002 0.000 0.294 516 F C 2.008 177.374 175.800 -0.722 0.000 1.113 516 F CA 3.502 60.685 58.000 -1.360 0.000 1.225 516 F CB -0.873 37.575 39.000 -0.921 0.000 0.953 516 F HN -0.018 nan 8.300 nan 0.000 0.501 517 N N 0.433 118.995 118.700 -0.230 0.000 2.111 517 N HA -0.296 4.446 4.740 0.003 0.000 0.197 517 N C 1.586 176.948 175.510 -0.247 0.000 1.011 517 N CA 2.441 55.389 53.050 -0.170 0.000 0.880 517 N CB -0.867 37.595 38.487 -0.042 0.000 1.031 517 N HN 0.476 nan 8.380 nan 0.000 0.444 518 R N -0.549 119.804 120.500 -0.244 0.000 2.070 518 R HA -0.003 4.338 4.340 0.003 0.000 0.233 518 R C 2.310 178.447 176.300 -0.272 0.000 1.137 518 R CA 1.431 57.434 56.100 -0.162 0.000 0.945 518 R CB -0.459 29.836 30.300 -0.007 0.000 0.845 518 R HN 0.275 nan 8.270 nan 0.000 0.430 519 M N 0.440 119.729 119.600 -0.517 0.000 2.106 519 M HA -0.200 4.282 4.480 0.003 0.000 0.259 519 M C 1.938 177.939 176.300 -0.499 0.000 1.068 519 M CA 1.752 56.722 55.300 -0.550 0.000 1.100 519 M CB -0.427 31.586 32.600 -0.979 0.000 1.351 519 M HN 0.089 nan 8.290 nan 0.000 0.404 520 F N 1.580 121.037 119.950 -0.821 0.000 2.051 520 F HA -0.201 4.328 4.527 0.003 0.000 0.296 520 F C 2.131 177.725 175.800 -0.344 0.000 1.122 520 F CA 2.155 59.772 58.000 -0.640 0.000 1.201 520 F CB -0.708 37.838 39.000 -0.757 0.000 0.978 520 F HN 0.289 nan 8.300 nan 0.000 0.472 521 E N 0.212 120.251 120.200 -0.268 0.000 2.113 521 E HA -0.367 3.985 4.350 0.003 0.000 0.210 521 E C 2.302 178.776 176.600 -0.210 0.000 1.040 521 E CA 1.964 58.236 56.400 -0.213 0.000 0.847 521 E CB -0.421 29.217 29.700 -0.102 0.000 0.755 521 E HN 0.373 nan 8.360 nan 0.000 0.459 522 K N 0.536 120.820 120.400 -0.192 0.000 2.000 522 K HA -0.193 4.129 4.320 0.003 0.000 0.218 522 K C 2.346 178.886 176.600 -0.101 0.000 1.053 522 K CA 1.898 58.105 56.287 -0.132 0.000 0.946 522 K CB -0.192 32.224 32.500 -0.140 0.000 0.723 522 K HN -0.025 nan 8.250 nan 0.000 0.446 523 S N 0.226 115.796 115.700 -0.217 0.000 2.420 523 S HA -0.134 4.337 4.470 0.003 0.000 0.237 523 S C 1.804 176.282 174.600 -0.203 0.000 1.023 523 S CA 1.725 59.811 58.200 -0.191 0.000 0.991 523 S CB -0.345 62.676 63.200 -0.299 0.000 0.792 523 S HN 0.455 nan 8.310 nan 0.000 0.488 524 T N 0.881 115.219 114.554 -0.361 0.000 2.668 524 T HA -0.133 4.219 4.350 0.003 0.000 0.262 524 T C 1.756 176.442 174.700 -0.024 0.000 1.045 524 T CA 1.274 63.205 62.100 -0.282 0.000 1.152 524 T CB -0.525 68.149 68.868 -0.323 0.000 0.864 524 T HN 0.480 nan 8.240 nan 0.000 0.419 525 H N 0.627 119.641 119.070 -0.093 0.000 2.265 525 H HA -0.187 4.370 4.556 0.003 0.000 0.295 525 H C 2.383 177.720 175.328 0.015 0.000 1.084 525 H CA 2.505 58.531 56.048 -0.036 0.000 1.261 525 H CB -0.644 29.096 29.762 -0.036 0.000 1.360 525 H HN 0.486 nan 8.280 nan 0.000 0.487 526 H N -0.631 118.556 119.070 0.195 0.000 2.426 526 H HA -0.193 4.365 4.556 0.003 0.000 0.298 526 H C 2.073 177.473 175.328 0.120 0.000 1.107 526 H CA 2.122 58.259 56.048 0.150 0.000 1.298 526 H CB -0.378 29.440 29.762 0.093 0.000 1.377 526 H HN 0.343 nan 8.280 nan 0.000 0.519 527 Y N 0.574 120.884 120.300 0.017 0.000 2.133 527 Y HA -0.206 4.345 4.550 0.003 0.000 0.287 527 Y C 2.629 178.464 175.900 -0.108 0.000 1.134 527 Y CA 2.078 60.148 58.100 -0.050 0.000 1.133 527 Y CB -0.678 37.706 38.460 -0.127 0.000 0.987 527 Y HN 0.236 nan 8.280 nan 0.000 0.502 528 T N -0.018 114.480 114.554 -0.093 0.000 2.652 528 T HA -0.208 4.143 4.350 0.003 0.000 0.267 528 T C 1.455 176.003 174.700 -0.252 0.000 1.039 528 T CA 1.740 63.717 62.100 -0.204 0.000 1.153 528 T CB -0.519 68.220 68.868 -0.214 0.000 0.863 528 T HN 0.267 nan 8.240 nan 0.000 0.428 529 D N 0.494 120.740 120.400 -0.257 0.000 2.149 529 D HA -0.065 4.577 4.640 0.003 0.000 0.198 529 D C 2.350 178.513 176.300 -0.228 0.000 0.990 529 D CA 1.013 54.882 54.000 -0.219 0.000 0.839 529 D CB -0.433 40.301 40.800 -0.110 0.000 0.948 529 D HN 0.295 nan 8.370 nan 0.000 0.460 530 S N -0.608 114.918 115.700 -0.289 0.000 2.355 530 S HA -0.122 4.350 4.470 0.003 0.000 0.210 530 S C 2.207 176.655 174.600 -0.254 0.000 1.035 530 S CA 1.402 59.432 58.200 -0.282 0.000 1.011 530 S CB -0.591 62.462 63.200 -0.246 0.000 1.000 530 S HN 0.046 nan 8.310 nan 0.000 0.423 531 V N 2.133 121.861 119.914 -0.310 0.000 2.280 531 V HA -0.293 3.829 4.120 0.003 0.000 0.258 531 V C 2.654 178.600 176.094 -0.247 0.000 1.081 531 V CA 2.316 64.428 62.300 -0.313 0.000 1.070 531 V CB -1.837 29.714 31.823 -0.454 0.000 0.666 531 V HN 0.698 nan 8.190 nan 0.000 0.450 532 G N -0.380 108.290 108.800 -0.216 0.000 2.491 532 G HA2 -0.223 3.739 3.960 0.003 0.000 0.218 532 G HA3 -0.223 3.739 3.960 0.003 0.000 0.218 532 G C 1.584 176.405 174.900 -0.133 0.000 1.180 532 G CA 1.190 46.195 45.100 -0.157 0.000 0.774 532 G HN 0.663 nan 8.290 nan 0.000 0.562 533 G N 0.915 109.634 108.800 -0.134 0.000 2.421 533 G HA2 -0.183 3.779 3.960 0.003 0.000 0.216 533 G HA3 -0.183 3.779 3.960 0.003 0.000 0.216 533 G C 1.826 176.676 174.900 -0.082 0.000 1.171 533 G CA 0.874 45.916 45.100 -0.095 0.000 0.775 533 G HN 0.575 nan 8.290 nan 0.000 0.543 534 I N -0.069 120.413 120.570 -0.146 0.000 2.208 534 I HA -0.151 4.021 4.170 0.003 0.000 0.245 534 I C 2.543 178.568 176.117 -0.154 0.000 1.097 534 I CA 1.027 62.215 61.300 -0.187 0.000 1.363 534 I CB -0.112 37.502 38.000 -0.644 0.000 1.051 534 I HN 0.172 nan 8.210 nan 0.000 0.413 535 L N 0.867 121.982 121.223 -0.180 0.000 1.951 535 L HA -0.300 4.042 4.340 0.003 0.000 0.222 535 L C 2.861 179.698 176.870 -0.055 0.000 1.078 535 L CA 2.146 56.910 54.840 -0.126 0.000 0.778 535 L CB -0.811 41.179 42.059 -0.116 0.000 0.893 535 L HN 0.243 nan 8.230 nan 0.000 0.436 536 R N -0.093 120.378 120.500 -0.048 0.000 2.261 536 R HA -0.224 4.118 4.340 0.003 0.000 0.252 536 R C 1.054 177.353 176.300 -0.002 0.000 1.116 536 R CA 1.963 58.047 56.100 -0.026 0.000 0.942 536 R CB -0.926 29.357 30.300 -0.027 0.000 0.932 536 R HN 0.494 nan 8.270 nan 0.000 0.441 537 S N -0.039 115.677 115.700 0.026 0.000 2.543 537 S HA 0.260 4.732 4.470 0.003 0.000 0.299 537 S C 0.407 175.068 174.600 0.101 0.000 1.125 537 S CA -0.892 57.333 58.200 0.041 0.000 1.098 537 S CB 1.759 64.975 63.200 0.026 0.000 1.063 537 S HN 0.070 nan 8.310 nan 0.000 0.493 538 T N 3.457 118.053 114.554 0.070 0.000 2.613 538 T HA 0.095 4.446 4.350 0.003 0.000 0.248 538 T C 2.237 177.004 174.700 0.111 0.000 1.107 538 T CA 1.171 63.332 62.100 0.101 0.000 1.238 538 T CB -1.234 67.666 68.868 0.053 0.000 0.899 538 T HN 0.738 nan 8.240 nan 0.000 0.400 539 G N 2.333 111.175 108.800 0.069 0.000 2.927 539 G HA2 -0.421 3.540 3.960 0.003 0.000 0.229 539 G HA3 -0.421 3.540 3.960 0.003 0.000 0.229 539 G C 1.610 176.531 174.900 0.035 0.000 1.102 539 G CA 1.682 46.818 45.100 0.060 0.000 0.742 539 G HN 0.484 nan 8.290 nan 0.000 0.652 540 R N -0.948 119.530 120.500 -0.037 0.000 2.103 540 R HA -0.143 4.199 4.340 0.003 0.000 0.242 540 R C 2.400 178.565 176.300 -0.224 0.000 1.142 540 R CA 1.872 57.865 56.100 -0.179 0.000 0.960 540 R CB -0.534 29.564 30.300 -0.337 0.000 0.858 540 R HN 0.602 nan 8.270 nan 0.000 0.439 541 Y N -0.225 120.057 120.300 -0.030 0.000 2.420 541 Y HA -0.067 4.485 4.550 0.003 0.000 0.292 541 Y C 2.096 178.064 175.900 0.115 0.000 1.119 541 Y CA 0.181 58.251 58.100 -0.050 0.000 1.229 541 Y CB -0.036 38.259 38.460 -0.275 0.000 1.026 541 Y HN -0.018 nan 8.280 nan 0.000 0.554 542 L N -0.611 120.775 121.223 0.272 0.000 2.056 542 L HA -0.132 4.210 4.340 0.003 0.000 0.207 542 L C 2.091 179.176 176.870 0.360 0.000 1.078 542 L CA 1.378 56.434 54.840 0.361 0.000 0.749 542 L CB -0.616 41.602 42.059 0.265 0.000 0.901 542 L HN 0.013 nan 8.230 nan 0.000 0.433 543 V N -0.532 119.509 119.914 0.212 0.000 2.594 543 V HA -0.235 3.886 4.120 0.003 0.000 0.253 543 V C 2.376 178.575 176.094 0.176 0.000 1.069 543 V CA 1.405 63.798 62.300 0.155 0.000 1.082 543 V CB -0.700 31.168 31.823 0.075 0.000 0.680 543 V HN 0.462 nan 8.190 nan 0.000 0.469 544 L N -0.267 121.091 121.223 0.225 0.000 2.109 544 L HA -0.127 4.215 4.340 0.003 0.000 0.207 544 L C 2.258 179.334 176.870 0.343 0.000 1.086 544 L CA 1.871 56.859 54.840 0.246 0.000 0.760 544 L CB -0.962 41.262 42.059 0.275 0.000 0.910 544 L HN 0.467 nan 8.230 nan 0.000 0.437 545 Y N -0.200 120.314 120.300 0.356 0.000 2.069 545 Y HA -0.337 4.214 4.550 0.003 0.000 0.278 545 Y C 2.210 178.215 175.900 0.174 0.000 1.175 545 Y CA 2.257 60.552 58.100 0.326 0.000 1.134 545 Y CB -0.138 38.632 38.460 0.517 0.000 0.965 545 Y HN 0.197 nan 8.280 nan 0.000 0.498 546 L N 0.040 121.264 121.223 0.001 0.000 2.017 546 L HA -0.255 4.086 4.340 0.003 0.000 0.208 546 L C 2.467 179.289 176.870 -0.081 0.000 1.073 546 L CA 1.556 56.301 54.840 -0.159 0.000 0.745 546 L CB -0.841 41.195 42.059 -0.038 0.000 0.894 546 L HN 0.371 nan 8.230 nan 0.000 0.432 547 I N 0.393 120.968 120.570 0.008 0.000 2.145 547 I HA -0.375 3.797 4.170 0.003 0.000 0.244 547 I C 2.532 178.652 176.117 0.005 0.000 1.075 547 I CA 1.782 63.091 61.300 0.016 0.000 1.332 547 I CB -0.380 37.648 38.000 0.046 0.000 1.033 547 I HN 0.198 nan 8.210 nan 0.000 0.410 548 I N 0.068 120.645 120.570 0.011 0.000 2.076 548 I HA -0.284 3.888 4.170 0.003 0.000 0.237 548 I C 2.609 178.696 176.117 -0.049 0.000 1.059 548 I CA 1.421 62.722 61.300 0.002 0.000 1.317 548 I CB -0.707 37.303 38.000 0.016 0.000 1.037 548 I HN 0.014 nan 8.210 nan 0.000 0.398 549 V N 1.191 121.007 119.914 -0.163 0.000 2.277 549 V HA -0.338 3.783 4.120 0.003 0.000 0.255 549 V C 2.487 178.535 176.094 -0.076 0.000 1.074 549 V CA 2.399 64.580 62.300 -0.197 0.000 1.058 549 V CB -0.912 30.698 31.823 -0.355 0.000 0.656 549 V HN 0.313 nan 8.190 nan 0.000 0.449 550 V N 0.752 120.638 119.914 -0.048 0.000 2.220 550 V HA -0.202 3.920 4.120 0.003 0.000 0.246 550 V C 2.684 178.821 176.094 0.072 0.000 1.049 550 V CA 2.336 64.643 62.300 0.011 0.000 1.003 550 V CB -1.941 29.886 31.823 0.007 0.000 0.634 550 V HN 0.571 nan 8.190 nan 0.000 0.444 551 G N -0.298 108.546 108.800 0.072 0.000 2.574 551 G HA2 -0.444 3.517 3.960 0.003 0.000 0.220 551 G HA3 -0.444 3.517 3.960 0.003 0.000 0.220 551 G C 1.625 176.623 174.900 0.163 0.000 1.173 551 G CA 1.901 47.087 45.100 0.143 0.000 0.772 551 G HN 0.480 nan 8.290 nan 0.000 0.585 552 M N 0.864 120.511 119.600 0.079 0.000 2.352 552 M HA -0.162 4.320 4.480 0.003 0.000 0.260 552 M C 2.830 179.192 176.300 0.103 0.000 1.068 552 M CA 2.676 58.011 55.300 0.059 0.000 1.082 552 M CB -0.516 32.083 32.600 -0.001 0.000 1.262 552 M HN 0.323 nan 8.290 nan 0.000 0.444 553 A N -0.038 122.838 122.820 0.093 0.000 1.873 553 A HA -0.325 3.997 4.320 0.003 0.000 0.219 553 A C 1.970 179.660 177.584 0.177 0.000 1.269 553 A CA 2.467 54.591 52.037 0.145 0.000 0.671 553 A CB -1.936 17.128 19.000 0.107 0.000 0.842 553 A HN 0.844 nan 8.150 nan 0.000 0.460 554 Y N 0.293 120.637 120.300 0.073 0.000 2.030 554 Y HA -0.294 4.258 4.550 0.003 0.000 0.272 554 Y C 2.106 178.046 175.900 0.068 0.000 1.185 554 Y CA 2.152 60.285 58.100 0.056 0.000 1.120 554 Y CB -0.834 37.647 38.460 0.035 0.000 0.955 554 Y HN 0.275 nan 8.280 nan 0.000 0.495 555 L N -1.072 120.024 121.223 -0.212 0.000 1.997 555 L HA -0.288 4.054 4.340 0.003 0.000 0.216 555 L C 2.483 179.269 176.870 -0.140 0.000 1.074 555 L CA 1.975 56.657 54.840 -0.263 0.000 0.763 555 L CB -0.805 41.251 42.059 -0.005 0.000 0.890 555 L HN 0.426 nan 8.230 nan 0.000 0.434 556 F N 0.349 120.217 119.950 -0.137 0.000 2.025 556 F HA -0.267 4.262 4.527 0.003 0.000 0.297 556 F C 2.253 177.989 175.800 -0.107 0.000 1.132 556 F CA 2.123 60.072 58.000 -0.085 0.000 1.191 556 F CB -0.802 38.166 39.000 -0.053 0.000 0.963 556 F HN -0.177 nan 8.300 nan 0.000 0.481 557 V N 1.049 120.830 119.914 -0.221 0.000 2.982 557 V HA -0.242 3.879 4.120 0.003 0.000 0.265 557 V C 2.206 178.123 176.094 -0.295 0.000 1.122 557 V CA 1.595 63.710 62.300 -0.308 0.000 1.143 557 V CB -0.958 30.802 31.823 -0.106 0.000 0.726 557 V HN 0.286 nan 8.190 nan 0.000 0.507 558 R N -0.624 119.676 120.500 -0.332 0.000 2.317 558 R HA 0.267 4.609 4.340 0.003 0.000 0.208 558 R C 0.175 176.335 176.300 -0.234 0.000 0.914 558 R CA -0.045 55.868 56.100 -0.312 0.000 1.060 558 R CB -0.070 29.934 30.300 -0.494 0.000 1.015 558 R HN 0.353 nan 8.270 nan 0.000 0.498 559 L N 1.340 122.407 121.223 -0.261 0.000 2.309 559 L HA 0.431 4.773 4.340 0.003 0.000 0.282 559 L C -2.255 174.483 176.870 -0.219 0.000 1.036 559 L CA -2.266 52.445 54.840 -0.214 0.000 0.806 559 L CB 1.552 43.496 42.059 -0.192 0.000 1.220 559 L HN -0.127 nan 8.230 nan 0.000 0.429 560 P HA 0.241 nan 4.420 nan 0.000 0.280 560 P C -1.526 175.716 177.300 -0.095 0.000 1.278 560 P CA -0.309 62.724 63.100 -0.112 0.000 0.787 560 P CB 0.520 32.175 31.700 -0.075 0.000 1.163 561 S N -1.626 114.043 115.700 -0.051 0.000 2.672 561 S HA 0.663 5.135 4.470 0.003 0.000 0.291 561 S C -0.850 173.765 174.600 0.025 0.000 1.145 561 S CA -0.570 57.625 58.200 -0.008 0.000 1.013 561 S CB 0.662 63.855 63.200 -0.012 0.000 1.017 561 S HN 0.213 nan 8.310 nan 0.000 0.487 562 S N 2.018 117.750 115.700 0.054 0.000 2.600 562 S HA 0.607 5.079 4.470 0.003 0.000 0.300 562 S C 0.157 174.830 174.600 0.122 0.000 1.087 562 S CA -0.772 57.477 58.200 0.083 0.000 0.965 562 S CB 1.198 64.442 63.200 0.073 0.000 1.089 562 S HN 0.715 nan 8.310 nan 0.000 0.496 563 F N 1.644 121.601 119.950 0.010 0.000 2.025 563 F HA 0.399 4.928 4.527 0.003 0.000 0.291 563 F C 0.084 175.905 175.800 0.034 0.000 1.150 563 F CA 1.281 59.278 58.000 -0.005 0.000 1.166 563 F CB -0.093 38.879 39.000 -0.046 0.000 0.995 563 F HN 0.430 nan 8.300 nan 0.000 0.474 564 L N -0.632 120.503 121.223 -0.147 0.000 2.424 564 L HA 0.475 4.816 4.340 0.003 0.000 0.258 564 L C -2.316 174.637 176.870 0.139 0.000 0.995 564 L CA -2.130 52.631 54.840 -0.131 0.000 0.821 564 L CB 1.562 43.439 42.059 -0.303 0.000 1.383 564 L HN -0.073 nan 8.230 nan 0.000 0.410 565 P HA -0.029 nan 4.420 nan 0.000 0.273 565 P C -0.773 176.629 177.300 0.170 0.000 1.248 565 P CA 0.055 63.257 63.100 0.170 0.000 0.817 565 P CB 0.367 32.168 31.700 0.169 0.000 0.995 566 D N -0.191 120.295 120.400 0.143 0.000 3.071 566 D HA 0.058 4.699 4.640 0.003 0.000 0.259 566 D C -0.138 176.258 176.300 0.160 0.000 1.331 566 D CA -0.403 53.680 54.000 0.138 0.000 0.861 566 D CB -0.869 39.995 40.800 0.106 0.000 1.059 566 D HN 0.190 nan 8.370 nan 0.000 0.486 567 E N 0.973 121.285 120.200 0.185 0.000 2.975 567 E HA -0.168 4.184 4.350 0.003 0.000 0.269 567 E C -0.315 176.439 176.600 0.256 0.000 0.905 567 E CA 0.403 56.934 56.400 0.218 0.000 0.967 567 E CB 0.315 30.161 29.700 0.244 0.000 0.925 567 E HN 0.115 nan 8.360 nan 0.000 0.507 568 D N 3.806 124.382 120.400 0.293 0.000 2.312 568 D HA 0.117 4.759 4.640 0.003 0.000 0.252 568 D C -0.938 175.682 176.300 0.533 0.000 1.150 568 D CA 0.062 54.271 54.000 0.348 0.000 0.870 568 D CB 0.499 41.497 40.800 0.329 0.000 1.153 568 D HN 0.407 nan 8.370 nan 0.000 0.457 569 Q N 1.555 121.645 119.800 0.484 0.000 2.321 569 Q HA 0.454 4.796 4.340 0.003 0.000 0.270 569 Q C 0.670 176.934 176.000 0.440 0.000 1.032 569 Q CA -0.955 55.257 55.803 0.681 0.000 0.784 569 Q CB 2.033 30.973 28.738 0.336 0.000 1.264 569 Q HN 0.580 nan 8.270 nan 0.000 0.448 570 G N 1.681 110.673 108.800 0.320 0.000 3.318 570 G HA2 0.143 4.105 3.960 0.003 0.000 0.212 570 G HA3 0.143 4.105 3.960 0.003 0.000 0.212 570 G C -0.121 174.861 174.900 0.136 0.000 1.227 570 G CA 0.405 45.488 45.100 -0.029 0.000 1.438 570 G HN 0.270 nan 8.290 nan 0.000 0.525 571 V N -0.372 119.690 119.914 0.247 0.000 3.087 571 V HA 0.810 4.932 4.120 0.003 0.000 0.306 571 V C -0.874 175.430 176.094 0.350 0.000 1.187 571 V CA -0.958 61.504 62.300 0.271 0.000 0.999 571 V CB 2.058 34.094 31.823 0.356 0.000 1.049 571 V HN 0.446 nan 8.190 nan 0.000 0.431 572 F N 2.480 122.468 119.950 0.063 0.000 2.680 572 F HA 0.763 5.292 4.527 0.003 0.000 0.315 572 F C -1.680 174.057 175.800 -0.104 0.000 1.099 572 F CA -1.038 56.972 58.000 0.016 0.000 1.033 572 F CB 1.207 40.234 39.000 0.046 0.000 1.285 572 F HN 0.377 nan 8.300 nan 0.000 0.457 573 M N 3.079 122.664 119.600 -0.025 0.000 2.444 573 M HA 0.586 5.067 4.480 0.003 0.000 0.319 573 M C -0.324 175.764 176.300 -0.354 0.000 1.183 573 M CA -0.391 54.743 55.300 -0.278 0.000 1.032 573 M CB 1.677 34.183 32.600 -0.157 0.000 1.569 573 M HN 0.875 nan 8.290 nan 0.000 0.468 574 T N 2.941 117.336 114.554 -0.264 0.000 3.032 574 T HA 0.689 5.041 4.350 0.003 0.000 0.312 574 T C -0.956 173.712 174.700 -0.052 0.000 1.078 574 T CA -0.808 61.207 62.100 -0.141 0.000 1.028 574 T CB 0.908 69.813 68.868 0.062 0.000 1.091 574 T HN 0.710 nan 8.240 nan 0.000 0.457 575 M N 3.284 122.914 119.600 0.050 0.000 2.654 575 M HA 0.910 5.391 4.480 0.003 0.000 0.310 575 M C -1.497 174.815 176.300 0.019 0.000 1.211 575 M CA -0.823 54.555 55.300 0.129 0.000 0.947 575 M CB 2.077 34.858 32.600 0.302 0.000 1.647 575 M HN 0.240 nan 8.290 nan 0.000 0.481 576 V N 1.626 121.557 119.914 0.028 0.000 2.462 576 V HA 0.441 4.563 4.120 0.003 0.000 0.288 576 V C -1.155 174.947 176.094 0.013 0.000 1.020 576 V CA -0.343 61.936 62.300 -0.034 0.000 0.857 576 V CB 1.038 32.842 31.823 -0.032 0.000 1.013 576 V HN 0.940 nan 8.190 nan 0.000 0.431 577 Q N 4.241 124.041 119.800 0.000 0.000 2.327 577 Q HA 0.623 4.964 4.340 0.003 0.000 0.270 577 Q C -1.320 174.685 176.000 0.008 0.000 1.022 577 Q CA -0.259 55.563 55.803 0.032 0.000 0.773 577 Q CB 1.572 30.357 28.738 0.079 0.000 1.251 577 Q HN 0.639 nan 8.270 nan 0.000 0.457 578 L N 4.164 125.397 121.223 0.016 0.000 2.440 578 L HA 0.673 5.014 4.340 0.003 0.000 0.262 578 L C -1.873 175.011 176.870 0.024 0.000 1.072 578 L CA -1.892 52.955 54.840 0.012 0.000 0.798 578 L CB 0.592 42.659 42.059 0.013 0.000 1.307 578 L HN 0.690 nan 8.230 nan 0.000 0.475 579 P HA 0.121 nan 4.420 nan 0.000 0.274 579 P C -0.949 176.375 177.300 0.039 0.000 1.237 579 P CA -0.496 62.622 63.100 0.030 0.000 0.793 579 P CB 0.478 32.190 31.700 0.021 0.000 0.977 580 A N 1.327 124.177 122.820 0.050 0.000 2.561 580 A HA 0.388 4.710 4.320 0.003 0.000 0.251 580 A C 1.461 179.077 177.584 0.054 0.000 1.062 580 A CA 0.921 52.995 52.037 0.061 0.000 0.761 580 A CB -1.649 17.399 19.000 0.080 0.000 0.986 580 A HN 0.921 nan 8.150 nan 0.000 0.510 581 G N 1.341 110.176 108.800 0.058 0.000 2.238 581 G HA2 0.172 4.134 3.960 0.003 0.000 0.217 581 G HA3 0.172 4.134 3.960 0.003 0.000 0.217 581 G C 0.674 175.600 174.900 0.042 0.000 0.996 581 G CA 0.223 45.357 45.100 0.057 0.000 0.632 581 G HN 2.291 nan 8.290 nan 0.000 0.503 582 A N 1.647 124.488 122.820 0.034 0.000 2.563 582 A HA 0.485 4.806 4.320 0.003 0.000 0.256 582 A C 1.096 178.698 177.584 0.029 0.000 1.056 582 A CA 1.638 53.690 52.037 0.026 0.000 0.775 582 A CB -0.228 18.786 19.000 0.023 0.000 0.973 582 A HN 0.976 nan 8.150 nan 0.000 0.516 583 T N 2.553 117.121 114.554 0.023 0.000 2.748 583 T HA 0.032 4.384 4.350 0.003 0.000 0.304 583 T C 1.548 176.262 174.700 0.023 0.000 1.041 583 T CA 0.137 62.251 62.100 0.023 0.000 1.033 583 T CB 0.560 69.435 68.868 0.012 0.000 0.995 583 T HN 0.790 nan 8.240 nan 0.000 0.536 584 Q N 0.321 120.137 119.800 0.026 0.000 2.045 584 Q HA -0.243 4.099 4.340 0.003 0.000 0.206 584 Q C 2.296 178.307 176.000 0.019 0.000 0.991 584 Q CA 2.164 57.985 55.803 0.029 0.000 0.851 584 Q CB -0.144 28.614 28.738 0.034 0.000 0.911 584 Q HN 0.805 nan 8.270 nan 0.000 0.418 585 E N 0.152 120.359 120.200 0.011 0.000 2.068 585 E HA -0.327 4.025 4.350 0.003 0.000 0.207 585 E C 2.068 178.671 176.600 0.006 0.000 1.032 585 E CA 1.889 58.292 56.400 0.005 0.000 0.839 585 E CB -0.166 29.533 29.700 -0.002 0.000 0.758 585 E HN 0.221 nan 8.360 nan 0.000 0.457 586 R N -0.535 119.969 120.500 0.006 0.000 2.103 586 R HA -0.160 4.182 4.340 0.003 0.000 0.234 586 R C 2.405 178.710 176.300 0.009 0.000 1.132 586 R CA 2.382 58.485 56.100 0.006 0.000 0.925 586 R CB -0.681 29.623 30.300 0.006 0.000 0.842 586 R HN 0.209 nan 8.270 nan 0.000 0.430 587 T N 0.511 115.073 114.554 0.014 0.000 2.760 587 T HA -0.240 4.112 4.350 0.003 0.000 0.269 587 T C 1.612 176.320 174.700 0.014 0.000 1.047 587 T CA 1.848 63.958 62.100 0.016 0.000 1.139 587 T CB -0.232 68.651 68.868 0.025 0.000 0.855 587 T HN 0.326 nan 8.240 nan 0.000 0.471 588 Q N 1.175 120.983 119.800 0.013 0.000 2.083 588 Q HA 0.004 4.346 4.340 0.003 0.000 0.198 588 Q C 2.301 178.309 176.000 0.013 0.000 0.969 588 Q CA 1.334 57.144 55.803 0.011 0.000 0.838 588 Q CB -0.261 28.481 28.738 0.007 0.000 0.900 588 Q HN 0.194 nan 8.270 nan 0.000 0.436 589 K N -0.187 120.218 120.400 0.009 0.000 2.074 589 K HA -0.121 4.201 4.320 0.003 0.000 0.209 589 K C 1.683 178.292 176.600 0.014 0.000 1.048 589 K CA 1.514 57.806 56.287 0.007 0.000 0.926 589 K CB -0.508 31.992 32.500 0.001 0.000 0.713 589 K HN 0.266 nan 8.250 nan 0.000 0.444 590 V N 1.030 120.953 119.914 0.015 0.000 3.306 590 V HA -0.070 4.052 4.120 0.003 0.000 0.264 590 V C 2.129 178.245 176.094 0.036 0.000 1.149 590 V CA 0.541 62.854 62.300 0.021 0.000 1.143 590 V CB -0.006 31.820 31.823 0.004 0.000 0.767 590 V HN 0.227 nan 8.190 nan 0.000 0.476 591 L N -0.515 120.729 121.223 0.035 0.000 2.127 591 L HA -0.009 4.332 4.340 0.003 0.000 0.203 591 L C 2.359 179.282 176.870 0.088 0.000 1.080 591 L CA 0.888 55.758 54.840 0.050 0.000 0.768 591 L CB -0.480 41.597 42.059 0.030 0.000 0.924 591 L HN 0.290 nan 8.230 nan 0.000 0.444 592 N N 0.265 119.005 118.700 0.068 0.000 2.094 592 N HA -0.233 4.508 4.740 0.003 0.000 0.191 592 N C 1.645 177.233 175.510 0.129 0.000 1.023 592 N CA 1.474 54.574 53.050 0.082 0.000 0.857 592 N CB -0.154 38.360 38.487 0.046 0.000 1.013 592 N HN 0.419 nan 8.380 nan 0.000 0.426 593 E N 0.395 120.660 120.200 0.109 0.000 2.038 593 E HA -0.137 4.215 4.350 0.003 0.000 0.195 593 E C 2.085 178.863 176.600 0.297 0.000 1.000 593 E CA 1.209 57.692 56.400 0.139 0.000 0.803 593 E CB -0.146 29.617 29.700 0.105 0.000 0.750 593 E HN 0.070 nan 8.360 nan 0.000 0.448 594 V N 1.473 121.592 119.914 0.341 0.000 2.220 594 V HA -0.349 3.772 4.120 0.003 0.000 0.250 594 V C 2.430 178.812 176.094 0.480 0.000 1.056 594 V CA 2.511 65.115 62.300 0.508 0.000 1.016 594 V CB -1.237 30.744 31.823 0.263 0.000 0.639 594 V HN 0.362 nan 8.190 nan 0.000 0.446 595 T N -1.345 113.421 114.554 0.354 0.000 2.685 595 T HA -0.327 4.025 4.350 0.003 0.000 0.268 595 T C 1.641 176.525 174.700 0.307 0.000 1.034 595 T CA 2.299 64.592 62.100 0.321 0.000 1.149 595 T CB -0.491 68.484 68.868 0.177 0.000 0.860 595 T HN 0.753 nan 8.240 nan 0.000 0.449 596 H N 0.144 119.312 119.070 0.162 0.000 2.446 596 H HA -0.201 4.356 4.556 0.003 0.000 0.296 596 H C 1.907 177.284 175.328 0.082 0.000 1.047 596 H CA 2.344 58.449 56.048 0.096 0.000 1.156 596 H CB -0.934 28.870 29.762 0.071 0.000 1.405 596 H HN 0.341 nan 8.280 nan 0.000 0.588 597 Y N -0.303 120.022 120.300 0.042 0.000 2.226 597 Y HA -0.508 4.044 4.550 0.003 0.000 0.259 597 Y C 2.244 178.004 175.900 -0.233 0.000 1.310 597 Y CA 2.660 60.637 58.100 -0.204 0.000 1.067 597 Y CB -1.144 37.028 38.460 -0.480 0.000 0.876 597 Y HN 0.454 nan 8.280 nan 0.000 0.519 598 Y N -0.675 119.724 120.300 0.166 0.000 2.092 598 Y HA -0.250 4.301 4.550 0.003 0.000 0.282 598 Y C 2.537 178.390 175.900 -0.079 0.000 1.126 598 Y CA 1.630 59.781 58.100 0.085 0.000 1.111 598 Y CB -0.686 37.900 38.460 0.210 0.000 0.987 598 Y HN 0.078 nan 8.280 nan 0.000 0.489 599 L N -0.801 120.477 121.223 0.091 0.000 2.191 599 L HA -0.214 4.128 4.340 0.003 0.000 0.212 599 L C 2.120 178.892 176.870 -0.165 0.000 1.103 599 L CA 1.365 56.182 54.840 -0.038 0.000 0.769 599 L CB -0.841 41.189 42.059 -0.048 0.000 0.908 599 L HN 0.321 nan 8.230 nan 0.000 0.438 600 T N -0.450 113.920 114.554 -0.306 0.000 2.671 600 T HA -0.096 4.256 4.350 0.003 0.000 0.250 600 T C 1.641 176.141 174.700 -0.333 0.000 1.068 600 T CA 1.020 62.862 62.100 -0.430 0.000 1.177 600 T CB -0.005 68.388 68.868 -0.792 0.000 0.876 600 T HN 0.231 nan 8.240 nan 0.000 0.405 601 K N 0.595 120.721 120.400 -0.456 0.000 2.374 601 K HA 0.217 4.539 4.320 0.003 0.000 0.196 601 K C 0.854 177.208 176.600 -0.411 0.000 1.023 601 K CA 0.252 56.267 56.287 -0.454 0.000 1.103 601 K CB 0.459 32.594 32.500 -0.609 0.000 0.848 601 K HN 0.107 nan 8.250 nan 0.000 0.528 602 E N 0.596 120.603 120.200 -0.321 0.000 2.812 602 E HA 0.121 4.473 4.350 0.003 0.000 0.211 602 E C 0.404 176.985 176.600 -0.032 0.000 0.986 602 E CA -0.014 56.310 56.400 -0.126 0.000 1.119 602 E CB 0.283 29.996 29.700 0.022 0.000 1.046 602 E HN 0.010 nan 8.360 nan 0.000 0.474 603 K N 0.526 120.881 120.400 -0.075 0.000 2.049 603 K HA -0.242 4.080 4.320 0.003 0.000 0.219 603 K C 1.305 177.896 176.600 -0.014 0.000 1.056 603 K CA 1.770 58.029 56.287 -0.046 0.000 0.946 603 K CB -0.181 32.280 32.500 -0.065 0.000 0.723 603 K HN 0.249 nan 8.250 nan 0.000 0.453 604 N N 0.772 119.464 118.700 -0.013 0.000 2.322 604 N HA -0.167 4.574 4.740 0.003 0.000 0.189 604 N C 1.015 176.536 175.510 0.018 0.000 1.012 604 N CA 1.271 54.322 53.050 0.002 0.000 0.880 604 N CB -0.259 38.230 38.487 0.003 0.000 0.967 604 N HN 0.385 nan 8.380 nan 0.000 0.439 605 N N 0.117 118.839 118.700 0.036 0.000 2.984 605 N HA 0.030 4.772 4.740 0.003 0.000 0.235 605 N C 0.201 175.748 175.510 0.062 0.000 1.025 605 N CA -0.048 53.033 53.050 0.052 0.000 1.173 605 N CB -0.264 38.271 38.487 0.080 0.000 1.615 605 N HN -0.181 nan 8.380 nan 0.000 0.560 606 V N 3.749 123.729 119.914 0.109 0.000 2.864 606 V HA -0.139 3.983 4.120 0.003 0.000 0.275 606 V C 1.714 177.832 176.094 0.041 0.000 0.972 606 V CA 0.736 63.100 62.300 0.108 0.000 1.176 606 V CB -0.692 31.241 31.823 0.183 0.000 0.838 606 V HN 0.340 nan 8.190 nan 0.000 0.454 607 E N 3.411 123.625 120.200 0.023 0.000 2.072 607 E HA -0.051 4.300 4.350 0.003 0.000 0.191 607 E C 1.187 177.771 176.600 -0.026 0.000 0.985 607 E CA 1.363 57.766 56.400 0.005 0.000 0.801 607 E CB 0.237 29.949 29.700 0.020 0.000 0.750 607 E HN 0.771 nan 8.360 nan 0.000 0.452 608 S N -2.468 113.218 115.700 -0.023 0.000 2.843 608 S HA 0.630 5.102 4.470 0.003 0.000 0.301 608 S C -1.883 172.686 174.600 -0.051 0.000 1.206 608 S CA -0.386 57.769 58.200 -0.076 0.000 0.875 608 S CB 1.355 64.529 63.200 -0.043 0.000 1.248 608 S HN -0.109 nan 8.310 nan 0.000 0.555 609 V N 2.268 122.171 119.914 -0.019 0.000 2.925 609 V HA 0.334 4.455 4.120 0.003 0.000 0.252 609 V C -1.199 174.982 176.094 0.144 0.000 0.913 609 V CA -0.497 61.814 62.300 0.018 0.000 0.933 609 V CB 0.737 32.564 31.823 0.006 0.000 1.039 609 V HN 0.775 nan 8.190 nan 0.000 0.507 610 F N 4.081 124.062 119.950 0.051 0.000 2.538 610 F HA 0.550 5.079 4.527 0.003 0.000 0.382 610 F C 0.801 176.549 175.800 -0.087 0.000 1.069 610 F CA 0.151 58.122 58.000 -0.049 0.000 1.138 610 F CB 0.467 39.279 39.000 -0.313 0.000 1.068 610 F HN 0.555 nan 8.300 nan 0.000 0.556 611 A N 5.181 127.835 122.820 -0.277 0.000 2.337 611 A HA 0.808 5.130 4.320 0.003 0.000 0.329 611 A C -1.379 175.993 177.584 -0.352 0.000 1.146 611 A CA -0.640 51.284 52.037 -0.188 0.000 0.800 611 A CB 1.400 20.353 19.000 -0.079 0.000 1.220 611 A HN 0.493 nan 8.150 nan 0.000 0.472 612 V N 3.252 123.049 119.914 -0.195 0.000 2.488 612 V HA 0.256 4.378 4.120 0.003 0.000 0.293 612 V C -0.341 175.732 176.094 -0.034 0.000 1.027 612 V CA -0.996 61.190 62.300 -0.189 0.000 0.862 612 V CB 1.595 33.286 31.823 -0.219 0.000 1.008 612 V HN 0.920 nan 8.190 nan 0.000 0.428 613 N N 3.847 122.526 118.700 -0.034 0.000 2.401 613 N HA 0.357 5.099 4.740 0.003 0.000 0.255 613 N C 0.573 176.121 175.510 0.063 0.000 1.110 613 N CA 1.312 54.373 53.050 0.017 0.000 0.949 613 N CB 1.290 39.779 38.487 0.002 0.000 1.110 613 N HN 1.213 nan 8.380 nan 0.000 0.490 614 G N 3.337 112.197 108.800 0.099 0.000 2.970 614 G HA2 -0.110 3.851 3.960 0.003 0.000 0.249 614 G HA3 -0.110 3.851 3.960 0.003 0.000 0.249 614 G C -0.788 174.269 174.900 0.261 0.000 1.113 614 G CA -0.356 44.825 45.100 0.136 0.000 1.119 614 G HN 0.654 nan 8.290 nan 0.000 0.552 615 F N -0.126 119.835 119.950 0.019 0.000 3.024 615 F HA 0.462 4.991 4.527 0.003 0.000 0.313 615 F C 0.007 175.781 175.800 -0.044 0.000 0.981 615 F CA 0.230 58.236 58.000 0.010 0.000 1.274 615 F CB 0.275 39.303 39.000 0.048 0.000 1.542 615 F HN 0.790 nan 8.300 nan 0.000 0.777 616 G N 3.164 111.764 108.800 -0.333 0.000 2.481 616 G HA2 0.477 4.439 3.960 0.003 0.000 0.315 616 G HA3 0.477 4.439 3.960 0.003 0.000 0.315 616 G C -0.072 174.615 174.900 -0.356 0.000 1.231 616 G CA -0.677 44.284 45.100 -0.232 0.000 0.968 616 G HN 0.469 nan 8.290 nan 0.000 0.482 617 F N 1.063 120.983 119.950 -0.051 0.000 2.293 617 F HA 0.088 4.616 4.527 0.003 0.000 0.300 617 F C 2.534 178.303 175.800 -0.051 0.000 1.086 617 F CA 1.479 59.445 58.000 -0.056 0.000 1.375 617 F CB 0.303 39.335 39.000 0.054 0.000 1.045 617 F HN 0.470 nan 8.300 nan 0.000 0.516 618 A N -0.449 122.465 122.820 0.157 0.000 2.430 618 A HA 0.625 4.946 4.320 0.003 0.000 0.243 618 A C 0.880 178.487 177.584 0.038 0.000 1.254 618 A CA 0.499 52.589 52.037 0.088 0.000 0.914 618 A CB -0.512 18.543 19.000 0.092 0.000 0.998 618 A HN 0.238 nan 8.150 nan 0.000 0.515 619 G N -0.631 108.168 108.800 -0.002 0.000 2.733 619 G HA2 0.583 4.545 3.960 0.003 0.000 0.297 619 G HA3 0.583 4.545 3.960 0.003 0.000 0.297 619 G C -1.191 173.676 174.900 -0.055 0.000 1.422 619 G CA -0.501 44.596 45.100 -0.006 0.000 0.942 619 G HN 0.229 nan 8.290 nan 0.000 0.510 620 R N 0.180 120.666 120.500 -0.025 0.000 2.710 620 R HA 0.709 5.050 4.340 0.003 0.000 0.270 620 R C 0.196 176.513 176.300 0.028 0.000 1.021 620 R CA 0.379 56.465 56.100 -0.024 0.000 0.889 620 R CB 2.022 32.284 30.300 -0.063 0.000 1.243 620 R HN 1.756 nan 8.270 nan 0.000 0.464 621 G N 1.396 110.229 108.800 0.055 0.000 2.181 621 G HA2 -0.164 3.798 3.960 0.003 0.000 0.098 621 G HA3 -0.164 3.798 3.960 0.003 0.000 0.098 621 G C -1.250 173.697 174.900 0.079 0.000 1.237 621 G CA 0.033 45.176 45.100 0.071 0.000 1.238 621 G HN 0.535 nan 8.290 nan 0.000 0.468 622 Q N 0.310 120.151 119.800 0.068 0.000 2.182 622 Q HA 0.515 4.856 4.340 0.003 0.000 0.305 622 Q C 0.123 176.155 176.000 0.053 0.000 0.880 622 Q CA -0.469 55.373 55.803 0.064 0.000 1.131 622 Q CB 0.503 29.278 28.738 0.062 0.000 1.237 622 Q HN 0.304 nan 8.270 nan 0.000 0.447 623 N N 0.630 119.362 118.700 0.052 0.000 2.360 623 N HA 0.018 4.760 4.740 0.003 0.000 0.211 623 N C 0.414 175.950 175.510 0.043 0.000 1.147 623 N CA 1.030 54.107 53.050 0.045 0.000 0.866 623 N CB 1.140 39.655 38.487 0.047 0.000 1.206 623 N HN 0.495 nan 8.380 nan 0.000 0.478 624 T N -1.388 113.194 114.554 0.047 0.000 2.862 624 T HA 0.761 5.112 4.350 0.003 0.000 0.276 624 T C 0.417 175.152 174.700 0.057 0.000 0.974 624 T CA -0.601 61.527 62.100 0.045 0.000 0.966 624 T CB 1.972 70.854 68.868 0.024 0.000 1.072 624 T HN 0.105 nan 8.240 nan 0.000 0.538 625 G N 0.048 108.883 108.800 0.060 0.000 2.633 625 G HA2 0.547 4.508 3.960 0.003 0.000 0.299 625 G HA3 0.547 4.508 3.960 0.003 0.000 0.299 625 G C -1.700 173.247 174.900 0.078 0.000 1.501 625 G CA -0.908 44.233 45.100 0.069 0.000 0.887 625 G HN 0.882 nan 8.290 nan 0.000 0.561 626 I N 0.428 121.061 120.570 0.105 0.000 2.769 626 I HA 0.730 4.902 4.170 0.003 0.000 0.298 626 I C -0.029 176.182 176.117 0.157 0.000 1.128 626 I CA -1.236 60.142 61.300 0.130 0.000 1.031 626 I CB 2.575 40.669 38.000 0.158 0.000 1.235 626 I HN 0.750 nan 8.210 nan 0.000 0.423 627 A N 4.531 127.429 122.820 0.130 0.000 2.335 627 A HA 0.743 5.064 4.320 0.003 0.000 0.304 627 A C -1.269 176.383 177.584 0.114 0.000 1.118 627 A CA -0.328 51.787 52.037 0.131 0.000 0.757 627 A CB 0.465 19.487 19.000 0.037 0.000 1.188 627 A HN 0.434 nan 8.150 nan 0.000 0.460 628 F N 2.803 122.694 119.950 -0.099 0.000 2.423 628 F HA 0.327 4.856 4.527 0.003 0.000 0.356 628 F C 0.332 175.998 175.800 -0.223 0.000 1.170 628 F CA -0.777 57.141 58.000 -0.136 0.000 1.163 628 F CB 0.864 39.838 39.000 -0.043 0.000 1.318 628 F HN 0.229 nan 8.300 nan 0.000 0.569 629 V N 2.612 122.286 119.914 -0.400 0.000 2.432 629 V HA 0.191 4.312 4.120 0.003 0.000 0.271 629 V C 0.389 176.319 176.094 -0.273 0.000 1.046 629 V CA -0.353 61.602 62.300 -0.574 0.000 0.945 629 V CB 1.346 32.279 31.823 -1.483 0.000 0.992 629 V HN 0.682 nan 8.190 nan 0.000 0.471 630 S N 6.793 122.450 115.700 -0.072 0.000 2.512 630 S HA 0.523 4.995 4.470 0.003 0.000 0.291 630 S C -0.187 174.431 174.600 0.028 0.000 1.151 630 S CA -0.675 57.544 58.200 0.031 0.000 1.120 630 S CB -0.303 62.951 63.200 0.089 0.000 1.029 630 S HN 0.543 nan 8.310 nan 0.000 0.485 631 L N 3.607 124.867 121.223 0.062 0.000 2.483 631 L HA 0.239 4.581 4.340 0.003 0.000 0.275 631 L C 0.925 177.784 176.870 -0.018 0.000 1.220 631 L CA -0.163 54.714 54.840 0.063 0.000 0.833 631 L CB 0.279 42.400 42.059 0.103 0.000 1.102 631 L HN 0.502 nan 8.230 nan 0.000 0.490 632 K N 2.174 122.564 120.400 -0.017 0.000 2.382 632 K HA 0.008 4.330 4.320 0.003 0.000 0.275 632 K C -0.040 176.485 176.600 -0.125 0.000 1.009 632 K CA -0.650 55.610 56.287 -0.046 0.000 0.970 632 K CB 0.509 33.002 32.500 -0.012 0.000 0.934 632 K HN 0.682 nan 8.250 nan 0.000 0.479 633 D N 3.486 123.792 120.400 -0.157 0.000 2.383 633 D HA -0.212 4.429 4.640 0.003 0.000 0.233 633 D C 1.119 177.328 176.300 -0.152 0.000 1.233 633 D CA 0.068 53.902 54.000 -0.277 0.000 0.881 633 D CB 0.310 41.039 40.800 -0.118 0.000 1.212 633 D HN 0.611 nan 8.370 nan 0.000 0.467 634 W N 0.792 122.089 121.300 -0.004 0.000 2.302 634 W HA -0.249 4.413 4.660 0.003 0.000 0.320 634 W C 2.498 179.019 176.519 0.003 0.000 1.241 634 W CA 1.358 58.702 57.345 -0.001 0.000 1.264 634 W CB -1.343 28.101 29.460 -0.028 0.000 1.154 634 W HN 0.624 nan 8.180 nan 0.000 0.483 635 A N 0.123 123.102 122.820 0.265 0.000 2.225 635 A HA -0.148 4.173 4.320 0.003 0.000 0.215 635 A C 1.085 178.726 177.584 0.094 0.000 1.164 635 A CA 1.779 53.903 52.037 0.146 0.000 0.710 635 A CB -0.589 18.476 19.000 0.109 0.000 0.780 635 A HN 0.185 nan 8.150 nan 0.000 0.473 636 D N -1.040 119.410 120.400 0.082 0.000 2.469 636 D HA 0.140 4.782 4.640 0.003 0.000 0.215 636 D C 0.061 176.389 176.300 0.047 0.000 1.154 636 D CA 0.162 54.192 54.000 0.050 0.000 0.832 636 D CB 0.330 41.147 40.800 0.030 0.000 1.008 636 D HN 0.360 nan 8.370 nan 0.000 0.506 637 R N 1.072 121.611 120.500 0.065 0.000 2.407 637 R HA 0.287 4.628 4.340 0.003 0.000 0.298 637 R C -2.019 174.329 176.300 0.080 0.000 1.166 637 R CA -1.280 54.859 56.100 0.064 0.000 1.006 637 R CB 2.003 32.339 30.300 0.060 0.000 1.145 637 R HN -0.107 nan 8.270 nan 0.000 0.538 638 P HA -0.148 nan 4.420 nan 0.000 0.198 638 P C 0.820 178.159 177.300 0.065 0.000 1.043 638 P CA 0.614 63.751 63.100 0.061 0.000 0.892 638 P CB -0.013 31.714 31.700 0.045 0.000 0.701 639 G N -0.914 107.918 108.800 0.054 0.000 2.716 639 G HA2 -0.074 3.888 3.960 0.003 0.000 0.251 639 G HA3 -0.074 3.888 3.960 0.003 0.000 0.251 639 G C 0.909 175.845 174.900 0.061 0.000 1.224 639 G CA -0.036 45.095 45.100 0.052 0.000 0.891 639 G HN 0.187 nan 8.290 nan 0.000 0.561 640 E N -0.520 119.715 120.200 0.057 0.000 2.051 640 E HA -0.149 4.202 4.350 0.003 0.000 0.192 640 E C 2.210 178.846 176.600 0.060 0.000 0.991 640 E CA 1.507 57.944 56.400 0.062 0.000 0.799 640 E CB -0.078 29.653 29.700 0.053 0.000 0.748 640 E HN 0.579 nan 8.360 nan 0.000 0.449 641 E N -0.055 120.175 120.200 0.051 0.000 2.333 641 E HA -0.129 4.223 4.350 0.003 0.000 0.198 641 E C 0.723 177.355 176.600 0.054 0.000 1.007 641 E CA 0.805 57.234 56.400 0.049 0.000 0.845 641 E CB -0.203 29.522 29.700 0.041 0.000 0.766 641 E HN 0.124 nan 8.360 nan 0.000 0.507 642 N N -0.456 118.278 118.700 0.058 0.000 2.268 642 N HA 0.102 4.843 4.740 0.003 0.000 0.204 642 N C -0.698 174.855 175.510 0.071 0.000 1.124 642 N CA 0.079 53.165 53.050 0.061 0.000 0.838 642 N CB 0.365 38.885 38.487 0.055 0.000 0.994 642 N HN -0.025 nan 8.380 nan 0.000 0.489 643 K N -0.940 119.505 120.400 0.075 0.000 2.211 643 K HA 0.285 4.607 4.320 0.003 0.000 0.237 643 K C 1.039 177.677 176.600 0.064 0.000 1.002 643 K CA -0.725 55.613 56.287 0.086 0.000 0.885 643 K CB 1.668 34.234 32.500 0.109 0.000 1.136 643 K HN -0.274 nan 8.250 nan 0.000 0.448 644 V N 0.879 120.833 119.914 0.066 0.000 2.220 644 V HA -0.311 3.811 4.120 0.003 0.000 0.250 644 V C 2.176 178.258 176.094 -0.019 0.000 1.056 644 V CA 2.340 64.645 62.300 0.008 0.000 1.016 644 V CB -0.650 31.213 31.823 0.068 0.000 0.639 644 V HN 0.860 nan 8.190 nan 0.000 0.446 645 E N 0.756 120.980 120.200 0.041 0.000 2.113 645 E HA -0.318 4.033 4.350 0.003 0.000 0.210 645 E C 2.007 178.624 176.600 0.027 0.000 1.040 645 E CA 2.522 58.949 56.400 0.045 0.000 0.847 645 E CB -0.654 29.085 29.700 0.065 0.000 0.755 645 E HN 0.590 nan 8.360 nan 0.000 0.459 646 A N -0.101 122.738 122.820 0.032 0.000 1.878 646 A HA 0.041 4.363 4.320 0.003 0.000 0.213 646 A C 2.433 180.038 177.584 0.034 0.000 1.192 646 A CA 1.030 53.090 52.037 0.038 0.000 0.619 646 A CB -0.559 18.470 19.000 0.048 0.000 0.837 646 A HN 0.331 nan 8.150 nan 0.000 0.446 647 I N 1.005 121.590 120.570 0.024 0.000 2.236 647 I HA -0.314 3.858 4.170 0.003 0.000 0.249 647 I C 2.763 178.886 176.117 0.010 0.000 1.102 647 I CA 2.015 63.346 61.300 0.051 0.000 1.365 647 I CB -0.679 37.349 38.000 0.047 0.000 1.051 647 I HN 0.591 nan 8.210 nan 0.000 0.420 648 T N -1.509 112.961 114.554 -0.141 0.000 2.809 648 T HA -0.149 4.203 4.350 0.003 0.000 0.260 648 T C 1.770 176.483 174.700 0.022 0.000 1.039 648 T CA 0.826 62.819 62.100 -0.178 0.000 1.141 648 T CB -0.366 68.355 68.868 -0.246 0.000 0.869 648 T HN 0.137 nan 8.240 nan 0.000 0.437 649 M N 2.451 122.072 119.600 0.035 0.000 2.073 649 M HA -0.058 4.423 4.480 0.003 0.000 0.258 649 M C 2.484 178.828 176.300 0.074 0.000 1.070 649 M CA 2.076 57.416 55.300 0.067 0.000 1.103 649 M CB -0.538 32.096 32.600 0.057 0.000 1.321 649 M HN 0.399 nan 8.290 nan 0.000 0.405 650 R N -0.227 120.316 120.500 0.071 0.000 2.075 650 R HA -0.012 4.329 4.340 0.003 0.000 0.232 650 R C 2.046 178.367 176.300 0.034 0.000 1.126 650 R CA 1.606 57.748 56.100 0.071 0.000 0.963 650 R CB -0.833 29.523 30.300 0.095 0.000 0.858 650 R HN 0.396 nan 8.270 nan 0.000 0.435 651 A N 0.900 123.740 122.820 0.033 0.000 1.865 651 A HA -0.166 4.155 4.320 0.003 0.000 0.217 651 A C 2.307 179.806 177.584 -0.142 0.000 1.191 651 A CA 2.215 54.059 52.037 -0.320 0.000 0.623 651 A CB -1.352 17.606 19.000 -0.071 0.000 0.826 651 A HN 0.521 nan 8.150 nan 0.000 0.444 652 T N -0.689 113.980 114.554 0.192 0.000 2.737 652 T HA -0.199 4.152 4.350 0.003 0.000 0.269 652 T C 2.051 176.854 174.700 0.171 0.000 1.040 652 T CA 1.560 63.843 62.100 0.306 0.000 1.142 652 T CB -0.303 68.729 68.868 0.274 0.000 0.861 652 T HN 0.543 nan 8.240 nan 0.000 0.456 653 R N 0.986 121.530 120.500 0.073 0.000 2.081 653 R HA -0.044 4.297 4.340 0.003 0.000 0.235 653 R C 2.575 178.858 176.300 -0.027 0.000 1.131 653 R CA 1.589 57.711 56.100 0.037 0.000 0.960 653 R CB -0.538 29.782 30.300 0.033 0.000 0.856 653 R HN 0.387 nan 8.270 nan 0.000 0.436 654 A N 0.527 123.257 122.820 -0.150 0.000 1.902 654 A HA -0.134 4.188 4.320 0.003 0.000 0.217 654 A C 2.057 179.469 177.584 -0.287 0.000 1.181 654 A CA 1.264 53.147 52.037 -0.257 0.000 0.623 654 A CB -0.769 17.971 19.000 -0.433 0.000 0.818 654 A HN 0.389 nan 8.150 nan 0.000 0.443 655 F N 0.183 120.002 119.950 -0.217 0.000 2.069 655 F HA -0.207 4.321 4.527 0.003 0.000 0.298 655 F C 2.810 178.541 175.800 -0.116 0.000 1.113 655 F CA 1.498 59.391 58.000 -0.179 0.000 1.214 655 F CB -0.643 38.231 39.000 -0.210 0.000 0.978 655 F HN 0.300 nan 8.300 nan 0.000 0.474 656 S N 0.865 116.622 115.700 0.095 0.000 2.412 656 S HA -0.455 4.016 4.470 0.003 0.000 0.311 656 S C 1.857 176.471 174.600 0.022 0.000 1.182 656 S CA 2.606 60.831 58.200 0.042 0.000 1.365 656 S CB -1.120 62.102 63.200 0.037 0.000 1.295 656 S HN 0.632 nan 8.310 nan 0.000 0.463 657 Q N 0.553 120.361 119.800 0.013 0.000 2.624 657 Q HA 0.116 4.458 4.340 0.003 0.000 0.219 657 Q C 1.079 177.083 176.000 0.008 0.000 0.973 657 Q CA 0.751 56.557 55.803 0.006 0.000 0.983 657 Q CB -0.802 27.935 28.738 -0.002 0.000 0.992 657 Q HN 0.786 nan 8.270 nan 0.000 0.574 658 I N 1.758 122.340 120.570 0.020 0.000 3.184 658 I HA 0.089 4.260 4.170 0.003 0.000 0.311 658 I C -0.504 175.616 176.117 0.005 0.000 1.243 658 I CA -0.606 60.709 61.300 0.026 0.000 1.393 658 I CB -0.144 37.904 38.000 0.080 0.000 1.471 658 I HN 0.120 nan 8.210 nan 0.000 0.540 659 K N 3.024 123.424 120.400 -0.001 0.000 2.585 659 K HA -0.221 4.101 4.320 0.003 0.000 0.271 659 K C 0.444 177.039 176.600 -0.009 0.000 0.994 659 K CA 1.114 57.398 56.287 -0.005 0.000 1.085 659 K CB 0.067 32.565 32.500 -0.003 0.000 0.802 659 K HN 0.509 nan 8.250 nan 0.000 0.476 660 D N -1.820 118.574 120.400 -0.009 0.000 3.028 660 D HA -0.201 4.441 4.640 0.003 0.000 0.207 660 D C -0.603 175.688 176.300 -0.015 0.000 1.100 660 D CA 1.859 55.854 54.000 -0.009 0.000 0.995 660 D CB -1.023 39.773 40.800 -0.006 0.000 1.108 660 D HN 0.701 nan 8.370 nan 0.000 0.421 661 A N -0.406 122.396 122.820 -0.030 0.000 2.547 661 A HA 0.679 5.001 4.320 0.003 0.000 0.297 661 A C -0.534 176.986 177.584 -0.107 0.000 1.056 661 A CA -0.552 51.455 52.037 -0.050 0.000 0.688 661 A CB 1.663 20.636 19.000 -0.045 0.000 1.282 661 A HN 0.085 nan 8.150 nan 0.000 0.400 662 M N 2.682 122.198 119.600 -0.139 0.000 2.216 662 M HA 0.633 5.115 4.480 0.003 0.000 0.356 662 M C -1.392 174.577 176.300 -0.552 0.000 1.205 662 M CA -0.081 55.033 55.300 -0.309 0.000 1.122 662 M CB 0.765 33.260 32.600 -0.175 0.000 1.571 662 M HN 0.540 nan 8.290 nan 0.000 0.464 663 V N 5.035 124.393 119.914 -0.927 0.000 3.114 663 V HA 0.752 4.873 4.120 0.003 0.000 0.308 663 V C -1.317 173.976 176.094 -1.335 0.000 1.168 663 V CA -0.551 61.172 62.300 -0.960 0.000 1.015 663 V CB 2.441 33.829 31.823 -0.726 0.000 1.050 663 V HN 0.937 nan 8.190 nan 0.000 0.433 664 F N -0.673 119.145 119.950 -0.220 0.000 2.878 664 F HA 0.888 5.416 4.527 0.003 0.000 0.322 664 F C -0.247 175.491 175.800 -0.103 0.000 1.154 664 F CA -0.709 57.242 58.000 -0.082 0.000 0.896 664 F CB 0.499 39.539 39.000 0.067 0.000 1.313 664 F HN 0.803 nan 8.300 nan 0.000 0.451 665 A N 0.288 123.246 122.820 0.229 0.000 2.486 665 A HA 1.060 5.382 4.320 0.003 0.000 0.277 665 A C -1.757 175.780 177.584 -0.078 0.000 1.282 665 A CA -0.627 51.409 52.037 -0.001 0.000 0.784 665 A CB 2.170 21.476 19.000 0.510 0.000 1.350 665 A HN 1.726 nan 8.150 nan 0.000 0.454 666 F N -2.720 117.387 119.950 0.262 0.000 2.822 666 F HA 0.436 4.965 4.527 0.003 0.000 0.323 666 F C -1.093 174.790 175.800 0.138 0.000 1.133 666 F CA -1.388 56.673 58.000 0.102 0.000 0.941 666 F CB -0.173 38.871 39.000 0.073 0.000 1.263 666 F HN 0.558 nan 8.300 nan 0.000 0.451 667 N N 0.936 119.847 118.700 0.352 0.000 2.340 667 N HA 0.332 5.074 4.740 0.003 0.000 0.236 667 N C -0.807 174.907 175.510 0.341 0.000 1.296 667 N CA -0.134 53.092 53.050 0.293 0.000 0.896 667 N CB 0.581 39.181 38.487 0.189 0.000 1.127 667 N HN 0.781 nan 8.380 nan 0.000 0.442 668 L N 2.632 124.012 121.223 0.261 0.000 2.334 668 L HA 0.293 4.634 4.340 0.003 0.000 0.277 668 L C -1.193 175.742 176.870 0.109 0.000 1.075 668 L CA -1.748 53.200 54.840 0.179 0.000 0.804 668 L CB 1.268 43.425 42.059 0.163 0.000 1.174 668 L HN 0.561 nan 8.230 nan 0.000 0.438 669 P HA -0.240 nan 4.420 nan 0.000 0.223 669 P C 0.606 177.956 177.300 0.084 0.000 1.140 669 P CA 1.267 64.381 63.100 0.023 0.000 0.783 669 P CB 0.134 31.802 31.700 -0.052 0.000 0.759 670 A N -2.527 120.345 122.820 0.087 0.000 2.945 670 A HA -0.135 4.186 4.320 0.003 0.000 0.251 670 A C 0.294 177.947 177.584 0.115 0.000 1.355 670 A CA 0.855 52.965 52.037 0.122 0.000 0.905 670 A CB -2.294 16.818 19.000 0.185 0.000 1.104 670 A HN 0.239 nan 8.150 nan 0.000 0.733 671 I N -2.437 118.153 120.570 0.034 0.000 2.565 671 I HA 0.053 4.225 4.170 0.003 0.000 0.300 671 I C -0.049 175.982 176.117 -0.143 0.000 1.842 671 I CA -0.776 60.496 61.300 -0.045 0.000 1.043 671 I CB 0.694 38.771 38.000 0.130 0.000 1.628 671 I HN 0.120 nan 8.210 nan 0.000 0.523 672 V N 6.214 125.933 119.914 -0.325 0.000 2.521 672 V HA 0.229 4.351 4.120 0.003 0.000 0.286 672 V C 0.615 176.591 176.094 -0.196 0.000 1.034 672 V CA 0.354 62.495 62.300 -0.264 0.000 1.045 672 V CB 0.833 32.453 31.823 -0.338 0.000 0.974 672 V HN 0.722 nan 8.190 nan 0.000 0.480 681 D N 1.687 122.159 120.400 0.120 0.000 2.274 681 D HA 0.262 4.903 4.640 0.003 0.000 0.239 681 D C -1.518 174.908 176.300 0.210 0.000 1.104 681 D CA 0.109 54.113 54.000 0.006 0.000 0.840 681 D CB 0.820 41.674 40.800 0.089 0.000 1.100 681 D HN 0.156 nan 8.370 nan 0.000 0.477 682 F N 3.108 123.010 119.950 -0.080 0.000 2.493 682 F HA 0.297 4.825 4.527 0.003 0.000 0.329 682 F C -0.295 175.345 175.800 -0.267 0.000 1.126 682 F CA -0.711 57.167 58.000 -0.204 0.000 0.937 682 F CB 1.401 40.252 39.000 -0.249 0.000 1.146 682 F HN 0.115 nan 8.300 nan 0.000 0.442 683 E N 6.106 125.784 120.200 -0.871 0.000 2.175 683 E HA 0.304 4.655 4.350 0.003 0.000 0.278 683 E C -1.260 174.956 176.600 -0.640 0.000 0.969 683 E CA -0.802 55.181 56.400 -0.696 0.000 0.796 683 E CB 2.695 31.782 29.700 -1.021 0.000 1.104 683 E HN 0.574 nan 8.360 nan 0.000 0.395 684 L N 3.196 124.255 121.223 -0.273 0.000 2.387 684 L HA 0.547 4.889 4.340 0.003 0.000 0.266 684 L C -0.681 176.107 176.870 -0.137 0.000 1.059 684 L CA -0.409 54.363 54.840 -0.114 0.000 0.801 684 L CB 0.995 43.064 42.059 0.017 0.000 1.223 684 L HN 0.487 nan 8.230 nan 0.000 0.456 685 I N 1.295 121.816 120.570 -0.082 0.000 2.828 685 I HA 0.294 4.466 4.170 0.003 0.000 0.302 685 I C -1.142 174.961 176.117 -0.023 0.000 1.101 685 I CA -0.725 60.541 61.300 -0.055 0.000 1.031 685 I CB 2.078 40.037 38.000 -0.068 0.000 1.231 685 I HN 0.502 nan 8.210 nan 0.000 0.427 686 D N 4.179 124.575 120.400 -0.007 0.000 2.518 686 D HA 0.136 4.778 4.640 0.003 0.000 0.230 686 D C 0.155 176.451 176.300 -0.005 0.000 1.138 686 D CA 0.142 54.142 54.000 -0.000 0.000 0.964 686 D CB 1.100 41.908 40.800 0.013 0.000 1.011 686 D HN 0.572 nan 8.370 nan 0.000 0.517 687 Q N 1.902 121.695 119.800 -0.013 0.000 2.304 687 Q HA 0.134 4.476 4.340 0.003 0.000 0.204 687 Q C 1.500 177.492 176.000 -0.013 0.000 0.936 687 Q CA 0.197 55.990 55.803 -0.017 0.000 0.878 687 Q CB 0.340 29.061 28.738 -0.029 0.000 0.983 687 Q HN 0.503 nan 8.270 nan 0.000 0.516 688 A N -0.198 122.616 122.820 -0.011 0.000 2.265 688 A HA 0.276 4.597 4.320 0.003 0.000 0.213 688 A C 1.169 178.749 177.584 -0.007 0.000 1.255 688 A CA 0.893 52.925 52.037 -0.009 0.000 0.862 688 A CB -0.674 18.321 19.000 -0.008 0.000 0.852 688 A HN 0.554 nan 8.150 nan 0.000 0.484 689 G N -1.519 107.278 108.800 -0.005 0.000 2.175 689 G HA2 -0.243 3.719 3.960 0.003 0.000 0.244 689 G HA3 -0.243 3.719 3.960 0.003 0.000 0.244 689 G C 0.497 175.397 174.900 -0.001 0.000 0.982 689 G CA 0.316 45.414 45.100 -0.003 0.000 0.641 689 G HN 0.394 nan 8.290 nan 0.000 0.527 690 L N -0.042 121.180 121.223 -0.002 0.000 2.238 690 L HA 0.476 4.818 4.340 0.003 0.000 0.163 690 L C 1.653 178.526 176.870 0.005 0.000 0.795 690 L CA 0.936 55.774 54.840 -0.003 0.000 1.402 690 L CB -0.513 41.541 42.059 -0.009 0.000 1.595 690 L HN 0.429 nan 8.230 nan 0.000 0.431 691 G N -3.502 105.300 108.800 0.004 0.000 2.725 691 G HA2 0.342 4.304 3.960 0.003 0.000 0.288 691 G HA3 0.342 4.304 3.960 0.003 0.000 0.288 691 G C -0.220 174.703 174.900 0.038 0.000 1.399 691 G CA -0.070 45.047 45.100 0.027 0.000 0.859 691 G HN 0.633 nan 8.290 nan 0.000 0.479 692 H N -0.328 118.739 119.070 -0.004 0.000 2.265 692 H HA -0.145 4.412 4.556 0.003 0.000 0.295 692 H C 2.089 177.413 175.328 -0.006 0.000 1.084 692 H CA 2.867 58.913 56.048 -0.002 0.000 1.261 692 H CB -0.075 29.690 29.762 0.004 0.000 1.360 692 H HN 0.607 nan 8.280 nan 0.000 0.487 693 E N 0.100 120.100 120.200 -0.333 0.000 2.086 693 E HA -0.210 4.141 4.350 0.003 0.000 0.200 693 E C 2.266 178.726 176.600 -0.232 0.000 1.012 693 E CA 1.367 57.556 56.400 -0.352 0.000 0.812 693 E CB 0.014 29.634 29.700 -0.133 0.000 0.743 693 E HN 0.384 nan 8.360 nan 0.000 0.453 694 K N 0.657 120.979 120.400 -0.131 0.000 2.062 694 K HA -0.063 4.259 4.320 0.003 0.000 0.205 694 K C 2.119 178.666 176.600 -0.089 0.000 1.051 694 K CA 0.405 56.639 56.287 -0.090 0.000 0.941 694 K CB -0.394 32.076 32.500 -0.051 0.000 0.719 694 K HN 0.187 nan 8.250 nan 0.000 0.440 695 L N 1.427 122.599 121.223 -0.085 0.000 2.141 695 L HA -0.103 4.239 4.340 0.003 0.000 0.209 695 L C 1.355 178.178 176.870 -0.078 0.000 1.094 695 L CA 1.820 56.627 54.840 -0.055 0.000 0.763 695 L CB -0.827 41.227 42.059 -0.010 0.000 0.908 695 L HN 0.089 nan 8.230 nan 0.000 0.437 696 T N -0.699 113.751 114.554 -0.173 0.000 3.067 696 T HA -0.106 4.246 4.350 0.003 0.000 0.261 696 T C 1.699 176.319 174.700 -0.134 0.000 1.110 696 T CA 0.659 62.655 62.100 -0.174 0.000 1.113 696 T CB 0.220 68.863 68.868 -0.375 0.000 0.917 696 T HN 0.434 nan 8.240 nan 0.000 0.499 697 Q N 0.265 119.985 119.800 -0.133 0.000 2.187 697 Q HA 0.063 4.405 4.340 0.003 0.000 0.199 697 Q C 2.323 178.284 176.000 -0.066 0.000 0.957 697 Q CA 0.984 56.728 55.803 -0.098 0.000 0.857 697 Q CB -0.053 28.629 28.738 -0.094 0.000 0.929 697 Q HN 0.528 nan 8.270 nan 0.000 0.453 698 A N 1.414 124.200 122.820 -0.056 0.000 1.878 698 A HA -0.155 4.167 4.320 0.003 0.000 0.213 698 A C 1.946 179.510 177.584 -0.034 0.000 1.192 698 A CA 1.126 53.140 52.037 -0.038 0.000 0.619 698 A CB -0.440 18.544 19.000 -0.027 0.000 0.837 698 A HN 0.447 nan 8.150 nan 0.000 0.446 699 R N 0.855 121.337 120.500 -0.030 0.000 2.261 699 R HA -0.130 4.211 4.340 0.003 0.000 0.236 699 R C 1.378 177.659 176.300 -0.032 0.000 1.141 699 R CA 1.864 57.950 56.100 -0.023 0.000 1.001 699 R CB -1.084 29.209 30.300 -0.012 0.000 0.866 699 R HN 0.520 nan 8.270 nan 0.000 0.468 700 N N 0.673 119.351 118.700 -0.037 0.000 2.085 700 N HA -0.131 4.611 4.740 0.003 0.000 0.191 700 N C 1.548 177.037 175.510 -0.035 0.000 1.058 700 N CA 1.788 54.816 53.050 -0.037 0.000 0.849 700 N CB -0.244 38.216 38.487 -0.046 0.000 1.038 700 N HN 0.392 nan 8.380 nan 0.000 0.434 701 Q N -0.503 119.276 119.800 -0.035 0.000 2.156 701 Q HA -0.226 4.115 4.340 0.003 0.000 0.211 701 Q C 1.839 177.818 176.000 -0.036 0.000 0.995 701 Q CA 1.589 57.373 55.803 -0.032 0.000 0.877 701 Q CB -0.286 28.433 28.738 -0.031 0.000 0.920 701 Q HN 0.340 nan 8.270 nan 0.000 0.416 702 L N 0.258 121.452 121.223 -0.047 0.000 1.961 702 L HA -0.142 4.199 4.340 0.003 0.000 0.209 702 L C 2.131 178.957 176.870 -0.075 0.000 1.075 702 L CA 1.535 56.332 54.840 -0.072 0.000 0.749 702 L CB -1.009 40.995 42.059 -0.092 0.000 0.890 702 L HN 0.280 nan 8.230 nan 0.000 0.433 703 L N -0.024 121.159 121.223 -0.068 0.000 2.151 703 L HA -0.236 4.106 4.340 0.003 0.000 0.215 703 L C 2.317 179.164 176.870 -0.039 0.000 1.084 703 L CA 2.243 57.047 54.840 -0.060 0.000 0.764 703 L CB -0.846 41.188 42.059 -0.041 0.000 0.891 703 L HN 0.384 nan 8.230 nan 0.000 0.435 704 A N -0.911 121.892 122.820 -0.029 0.000 1.872 704 A HA -0.200 4.121 4.320 0.003 0.000 0.214 704 A C 2.289 179.870 177.584 -0.004 0.000 1.187 704 A CA 1.399 53.427 52.037 -0.015 0.000 0.614 704 A CB -0.650 18.340 19.000 -0.016 0.000 0.826 704 A HN 0.625 nan 8.150 nan 0.000 0.442 705 E N 0.062 120.259 120.200 -0.006 0.000 2.028 705 E HA -0.090 4.261 4.350 0.003 0.000 0.191 705 E C 2.087 178.735 176.600 0.079 0.000 0.988 705 E CA 1.193 57.610 56.400 0.029 0.000 0.799 705 E CB -0.374 29.338 29.700 0.021 0.000 0.755 705 E HN 0.444 nan 8.360 nan 0.000 0.447 706 A N 1.247 124.064 122.820 -0.004 0.000 2.023 706 A HA -0.255 4.067 4.320 0.003 0.000 0.223 706 A C 2.315 179.938 177.584 0.065 0.000 1.180 706 A CA 1.985 53.983 52.037 -0.065 0.000 0.659 706 A CB -1.073 17.833 19.000 -0.156 0.000 0.817 706 A HN 0.465 nan 8.150 nan 0.000 0.466 707 A N -0.588 122.264 122.820 0.053 0.000 2.277 707 A HA 0.020 4.341 4.320 0.003 0.000 0.208 707 A C 1.004 178.636 177.584 0.081 0.000 1.202 707 A CA 1.134 53.203 52.037 0.054 0.000 0.762 707 A CB -0.254 18.758 19.000 0.020 0.000 0.770 707 A HN 0.477 nan 8.150 nan 0.000 0.487 708 K N -0.078 120.417 120.400 0.159 0.000 3.205 708 K HA 0.398 4.720 4.320 0.003 0.000 0.202 708 K C -0.995 175.463 176.600 -0.236 0.000 1.160 708 K CA -0.330 55.943 56.287 -0.023 0.000 0.995 708 K CB -0.338 32.081 32.500 -0.135 0.000 1.041 708 K HN 0.480 nan 8.250 nan 0.000 0.507 709 H N -0.878 118.174 119.070 -0.029 0.000 3.652 709 H HA 0.117 4.674 4.556 0.003 0.000 0.262 709 H C -2.211 173.103 175.328 -0.024 0.000 1.104 709 H CA -0.830 55.202 56.048 -0.027 0.000 1.182 709 H CB -0.339 29.401 29.762 -0.035 0.000 1.756 709 H HN 0.347 nan 8.280 nan 0.000 0.867 710 P HA 0.308 nan 4.420 nan 0.000 0.280 710 P C -0.571 176.749 177.300 0.033 0.000 1.272 710 P CA -0.232 62.901 63.100 0.054 0.000 0.819 710 P CB 1.944 33.667 31.700 0.038 0.000 1.122 711 D N 1.014 121.428 120.400 0.024 0.000 2.381 711 D HA 0.377 5.018 4.640 0.003 0.000 0.235 711 D C 0.415 176.726 176.300 0.018 0.000 1.068 711 D CA -0.194 53.817 54.000 0.018 0.000 0.832 711 D CB 0.885 41.695 40.800 0.016 0.000 1.101 711 D HN 0.594 nan 8.370 nan 0.000 0.515 717 R N 4.553 125.013 120.500 -0.066 0.000 2.668 717 R HA 0.754 5.095 4.340 0.003 0.000 0.272 717 R C -3.262 173.007 176.300 -0.051 0.000 1.019 717 R CA -1.833 54.239 56.100 -0.047 0.000 0.894 717 R CB 2.645 32.923 30.300 -0.038 0.000 1.228 717 R HN 0.395 nan 8.270 nan 0.000 0.460 718 P HA 0.050 nan 4.420 nan 0.000 0.271 718 P C -0.802 176.488 177.300 -0.016 0.000 1.216 718 P CA -0.166 62.925 63.100 -0.016 0.000 0.776 718 P CB 1.116 32.817 31.700 0.002 0.000 0.881 719 N N 1.687 120.375 118.700 -0.021 0.000 2.402 719 N HA 0.030 4.772 4.740 0.003 0.000 0.174 719 N C 1.285 176.806 175.510 0.018 0.000 1.027 719 N CA 0.509 53.551 53.050 -0.014 0.000 0.891 719 N CB -0.344 38.124 38.487 -0.033 0.000 1.016 719 N HN 0.515 nan 8.380 nan 0.000 0.439 720 G N 0.156 108.970 108.800 0.024 0.000 2.593 720 G HA2 0.238 4.200 3.960 0.003 0.000 0.279 720 G HA3 0.238 4.200 3.960 0.003 0.000 0.279 720 G C -0.201 174.726 174.900 0.046 0.000 1.329 720 G CA -0.300 44.822 45.100 0.037 0.000 1.036 720 G HN 0.200 nan 8.290 nan 0.000 0.555 721 L N -0.919 120.334 121.223 0.050 0.000 2.400 721 L HA 0.457 4.799 4.340 0.003 0.000 0.264 721 L C 0.484 177.397 176.870 0.072 0.000 1.061 721 L CA -0.608 54.267 54.840 0.059 0.000 0.799 721 L CB 1.233 43.325 42.059 0.054 0.000 1.240 721 L HN 0.535 nan 8.230 nan 0.000 0.461 722 E N -0.396 119.852 120.200 0.080 0.000 2.239 722 E HA 0.182 4.533 4.350 0.003 0.000 0.261 722 E C -1.286 175.387 176.600 0.122 0.000 1.016 722 E CA -0.996 55.463 56.400 0.098 0.000 0.882 722 E CB 0.893 30.644 29.700 0.085 0.000 1.190 722 E HN 0.401 nan 8.360 nan 0.000 0.415 723 D N 1.587 122.083 120.400 0.160 0.000 2.583 723 D HA 0.006 4.648 4.640 0.003 0.000 0.232 723 D C -0.474 175.955 176.300 0.215 0.000 1.128 723 D CA 0.851 54.976 54.000 0.209 0.000 0.859 723 D CB 0.494 41.453 40.800 0.266 0.000 1.169 723 D HN 0.158 nan 8.370 nan 0.000 0.481 724 T N 2.872 117.539 114.554 0.189 0.000 2.918 724 T HA 0.467 4.818 4.350 0.003 0.000 0.286 724 T C -2.358 172.442 174.700 0.167 0.000 1.026 724 T CA -1.488 60.709 62.100 0.161 0.000 1.031 724 T CB 1.924 70.866 68.868 0.123 0.000 1.046 724 T HN 0.210 nan 8.240 nan 0.000 0.479 725 P HA 0.200 nan 4.420 nan 0.000 0.271 725 P C -0.978 176.507 177.300 0.308 0.000 1.216 725 P CA -0.211 63.011 63.100 0.203 0.000 0.776 725 P CB 0.673 32.478 31.700 0.175 0.000 0.881 726 Q N 0.896 120.836 119.800 0.234 0.000 2.528 726 Q HA 0.559 4.900 4.340 0.003 0.000 0.289 726 Q C -1.391 174.437 176.000 -0.287 0.000 1.091 726 Q CA -0.703 55.105 55.803 0.008 0.000 0.797 726 Q CB 1.993 30.742 28.738 0.019 0.000 1.466 726 Q HN 0.343 nan 8.270 nan 0.000 0.436 727 F N 1.741 121.346 119.950 -0.575 0.000 2.325 727 F HA 0.369 4.898 4.527 0.003 0.000 0.369 727 F C -0.444 175.096 175.800 -0.433 0.000 1.095 727 F CA -0.818 56.717 58.000 -0.776 0.000 1.082 727 F CB 0.794 39.308 39.000 -0.810 0.000 1.289 727 F HN 0.239 nan 8.300 nan 0.000 0.462 728 K N 4.973 124.971 120.400 -0.669 0.000 2.218 728 K HA 0.332 4.653 4.320 0.003 0.000 0.276 728 K C 0.209 176.458 176.600 -0.585 0.000 1.022 728 K CA -0.047 55.962 56.287 -0.462 0.000 0.946 728 K CB 0.516 32.834 32.500 -0.305 0.000 1.000 728 K HN 0.614 nan 8.250 nan 0.000 0.468 729 I N 1.267 121.630 120.570 -0.345 0.000 3.194 729 I HA 0.025 4.196 4.170 0.003 0.000 0.271 729 I C -0.546 175.461 176.117 -0.184 0.000 1.150 729 I CA 0.510 61.644 61.300 -0.277 0.000 1.440 729 I CB -0.548 37.355 38.000 -0.162 0.000 1.276 729 I HN 0.718 nan 8.210 nan 0.000 0.457 730 D N 2.558 122.881 120.400 -0.128 0.000 3.620 730 D HA -0.154 4.488 4.640 0.003 0.000 0.237 730 D C -0.238 176.030 176.300 -0.052 0.000 1.111 730 D CA 0.351 54.301 54.000 -0.083 0.000 1.070 730 D CB -0.814 39.932 40.800 -0.088 0.000 0.891 730 D HN 0.011 nan 8.370 nan 0.000 0.412 731 I N 1.662 122.220 120.570 -0.020 0.000 2.505 731 I HA -0.026 4.146 4.170 0.003 0.000 0.287 731 I C 1.187 177.349 176.117 0.075 0.000 1.104 731 I CA 0.176 61.508 61.300 0.054 0.000 1.387 731 I CB 0.460 38.502 38.000 0.069 0.000 1.404 731 I HN 0.217 nan 8.210 nan 0.000 0.528 732 D N 7.761 128.241 120.400 0.133 0.000 2.455 732 D HA -0.016 4.625 4.640 0.003 0.000 0.234 732 D C 1.261 177.584 176.300 0.039 0.000 1.224 732 D CA -0.216 53.832 54.000 0.080 0.000 0.999 732 D CB 0.821 41.671 40.800 0.082 0.000 1.072 732 D HN 0.374 nan 8.370 nan 0.000 0.514 733 Q N 2.479 122.274 119.800 -0.009 0.000 2.028 733 Q HA -0.285 4.057 4.340 0.003 0.000 0.213 733 Q C 1.614 177.575 176.000 -0.066 0.000 1.017 733 Q CA 1.689 57.459 55.803 -0.055 0.000 0.875 733 Q CB -0.390 28.324 28.738 -0.041 0.000 0.962 733 Q HN 0.726 nan 8.270 nan 0.000 0.413 734 E N 0.838 121.017 120.200 -0.034 0.000 2.026 734 E HA -0.241 4.111 4.350 0.003 0.000 0.206 734 E C 2.024 178.602 176.600 -0.037 0.000 1.028 734 E CA 1.695 58.076 56.400 -0.031 0.000 0.845 734 E CB -0.061 29.631 29.700 -0.013 0.000 0.772 734 E HN 0.257 nan 8.360 nan 0.000 0.462 735 K N -0.190 120.205 120.400 -0.008 0.000 2.127 735 K HA -0.235 4.087 4.320 0.003 0.000 0.208 735 K C 2.079 178.646 176.600 -0.056 0.000 1.047 735 K CA 1.268 57.561 56.287 0.011 0.000 0.927 735 K CB -0.239 32.307 32.500 0.077 0.000 0.716 735 K HN 0.295 nan 8.250 nan 0.000 0.450 736 A N 0.917 123.645 122.820 -0.153 0.000 1.877 736 A HA -0.233 4.089 4.320 0.003 0.000 0.216 736 A C 1.998 179.414 177.584 -0.279 0.000 1.186 736 A CA 1.438 53.219 52.037 -0.427 0.000 0.620 736 A CB -0.417 18.271 19.000 -0.520 0.000 0.822 736 A HN 0.331 nan 8.150 nan 0.000 0.443 737 Q N -0.969 118.731 119.800 -0.167 0.000 2.123 737 Q HA 0.003 4.345 4.340 0.003 0.000 0.199 737 Q C 2.383 178.336 176.000 -0.078 0.000 0.966 737 Q CA 0.951 56.686 55.803 -0.114 0.000 0.845 737 Q CB -0.329 28.361 28.738 -0.080 0.000 0.907 737 Q HN 0.679 nan 8.270 nan 0.000 0.439 738 A N 0.791 123.575 122.820 -0.061 0.000 1.986 738 A HA -0.177 4.144 4.320 0.003 0.000 0.220 738 A C 1.904 179.471 177.584 -0.029 0.000 1.171 738 A CA 1.217 53.235 52.037 -0.032 0.000 0.640 738 A CB -0.507 18.484 19.000 -0.015 0.000 0.811 738 A HN 0.316 nan 8.150 nan 0.000 0.451 739 L N -1.661 119.534 121.223 -0.048 0.000 2.446 739 L HA 0.203 4.545 4.340 0.003 0.000 0.219 739 L C 1.444 178.290 176.870 -0.040 0.000 1.116 739 L CA 0.495 55.317 54.840 -0.030 0.000 0.844 739 L CB -0.212 41.832 42.059 -0.024 0.000 0.970 739 L HN 0.584 nan 8.230 nan 0.000 0.457 740 G N 1.421 110.180 108.800 -0.068 0.000 2.341 740 G HA2 -0.177 3.784 3.960 0.003 0.000 0.278 740 G HA3 -0.177 3.784 3.960 0.003 0.000 0.278 740 G C -0.174 174.686 174.900 -0.067 0.000 1.111 740 G CA 0.107 45.173 45.100 -0.057 0.000 0.982 740 G HN 0.221 nan 8.290 nan 0.000 0.502 741 V N -1.697 118.141 119.914 -0.126 0.000 2.483 741 V HA 0.860 4.982 4.120 0.003 0.000 0.297 741 V C 0.604 176.608 176.094 -0.151 0.000 1.027 741 V CA -0.521 61.698 62.300 -0.135 0.000 0.855 741 V CB 1.327 33.019 31.823 -0.219 0.000 0.995 741 V HN 1.520 nan 8.190 nan 0.000 0.424 742 S N 4.366 120.017 115.700 -0.082 0.000 2.555 742 S HA 0.106 4.578 4.470 0.003 0.000 0.293 742 S C 0.986 175.535 174.600 -0.086 0.000 1.248 742 S CA 0.006 58.165 58.200 -0.068 0.000 1.096 742 S CB 0.183 63.367 63.200 -0.027 0.000 0.881 742 S HN 1.148 nan 8.310 nan 0.000 0.498 743 I N 2.044 122.555 120.570 -0.099 0.000 3.055 743 I HA -0.233 3.939 4.170 0.003 0.000 0.277 743 I C 1.006 177.101 176.117 -0.037 0.000 1.306 743 I CA 0.930 62.174 61.300 -0.093 0.000 1.426 743 I CB -0.293 37.662 38.000 -0.075 0.000 1.081 743 I HN 0.661 nan 8.210 nan 0.000 0.502 744 N N 0.509 119.197 118.700 -0.020 0.000 2.418 744 N HA -0.088 4.653 4.740 0.003 0.000 0.199 744 N C 1.261 176.790 175.510 0.033 0.000 1.044 744 N CA 0.744 53.800 53.050 0.010 0.000 0.943 744 N CB -0.502 37.992 38.487 0.011 0.000 1.154 744 N HN 0.236 nan 8.380 nan 0.000 0.467 745 D N 1.635 122.055 120.400 0.033 0.000 2.244 745 D HA -0.174 4.468 4.640 0.003 0.000 0.197 745 D C 1.900 178.266 176.300 0.111 0.000 1.006 745 D CA 0.780 54.821 54.000 0.068 0.000 0.888 745 D CB -0.089 40.751 40.800 0.066 0.000 0.912 745 D HN 0.308 nan 8.370 nan 0.000 0.452 746 I N 0.905 121.522 120.570 0.077 0.000 2.102 746 I HA -0.262 3.910 4.170 0.003 0.000 0.228 746 I C 2.197 178.411 176.117 0.161 0.000 1.057 746 I CA 0.609 61.979 61.300 0.117 0.000 1.334 746 I CB -0.455 37.542 38.000 -0.005 0.000 1.096 746 I HN -0.089 nan 8.210 nan 0.000 0.396 747 N N 0.736 119.494 118.700 0.096 0.000 2.139 747 N HA -0.221 4.520 4.740 0.003 0.000 0.199 747 N C 1.709 177.287 175.510 0.114 0.000 1.003 747 N CA 2.420 55.531 53.050 0.102 0.000 0.892 747 N CB -0.890 37.636 38.487 0.064 0.000 1.039 747 N HN 0.478 nan 8.380 nan 0.000 0.461 748 T N -0.540 114.072 114.554 0.098 0.000 2.698 748 T HA -0.114 4.238 4.350 0.003 0.000 0.260 748 T C 1.933 176.686 174.700 0.087 0.000 1.044 748 T CA 1.662 63.809 62.100 0.079 0.000 1.149 748 T CB -0.882 68.023 68.868 0.061 0.000 0.864 748 T HN 0.283 nan 8.240 nan 0.000 0.419 749 T N 1.463 116.093 114.554 0.128 0.000 2.969 749 T HA -0.056 4.295 4.350 0.003 0.000 0.271 749 T C 1.409 176.146 174.700 0.063 0.000 1.127 749 T CA 0.674 62.844 62.100 0.118 0.000 1.102 749 T CB -0.448 68.570 68.868 0.250 0.000 0.855 749 T HN 0.173 nan 8.240 nan 0.000 0.536 750 L N 0.234 121.565 121.223 0.179 0.000 2.562 750 L HA 0.533 4.875 4.340 0.003 0.000 0.188 750 L C 2.671 179.645 176.870 0.172 0.000 1.342 750 L CA 1.777 56.717 54.840 0.166 0.000 1.104 750 L CB -1.378 40.830 42.059 0.248 0.000 1.257 750 L HN 0.142 nan 8.230 nan 0.000 0.632 751 G N -0.028 108.842 108.800 0.117 0.000 2.663 751 G HA2 -0.417 3.544 3.960 0.003 0.000 0.222 751 G HA3 -0.417 3.544 3.960 0.003 0.000 0.222 751 G C 1.527 176.484 174.900 0.096 0.000 1.146 751 G CA 2.084 47.253 45.100 0.115 0.000 0.764 751 G HN 0.873 nan 8.290 nan 0.000 0.608 752 A N 1.241 124.088 122.820 0.046 0.000 1.870 752 A HA 0.045 4.366 4.320 0.003 0.000 0.219 752 A C 2.860 180.411 177.584 -0.055 0.000 1.224 752 A CA 3.295 55.331 52.037 -0.002 0.000 0.650 752 A CB -1.176 17.809 19.000 -0.024 0.000 0.836 752 A HN 1.249 nan 8.150 nan 0.000 0.454 753 A N -2.995 119.708 122.820 -0.196 0.000 2.119 753 A HA 0.032 4.354 4.320 0.003 0.000 0.217 753 A C 1.699 179.023 177.584 -0.432 0.000 1.153 753 A CA 1.290 53.061 52.037 -0.443 0.000 0.692 753 A CB -0.641 17.642 19.000 -1.195 0.000 0.799 753 A HN 0.773 nan 8.150 nan 0.000 0.458 754 W N -2.000 119.173 121.300 -0.211 0.000 2.842 754 W HA 0.338 5.000 4.660 0.003 0.000 0.267 754 W C 2.127 178.618 176.519 -0.045 0.000 1.219 754 W CA 0.496 57.773 57.345 -0.113 0.000 1.458 754 W CB -0.063 29.317 29.460 -0.133 0.000 1.006 754 W HN 0.256 nan 8.180 nan 0.000 0.603 755 G N -0.628 108.274 108.800 0.169 0.000 2.781 755 G HA2 0.438 4.399 3.960 0.003 0.000 0.208 755 G HA3 0.438 4.399 3.960 0.003 0.000 0.208 755 G C 0.566 175.503 174.900 0.061 0.000 1.099 755 G CA 0.344 45.509 45.100 0.110 0.000 0.776 755 G HN 0.379 nan 8.290 nan 0.000 0.532 756 G N -0.416 108.416 108.800 0.054 0.000 3.209 756 G HA2 0.148 4.110 3.960 0.003 0.000 0.686 756 G HA3 0.148 4.110 3.960 0.003 0.000 0.686 756 G C -0.478 174.502 174.900 0.135 0.000 1.065 756 G CA -0.204 44.930 45.100 0.057 0.000 0.812 756 G HN 0.642 nan 8.290 nan 0.000 0.573 757 S N 0.683 116.475 115.700 0.154 0.000 2.593 757 S HA 0.628 5.099 4.470 0.003 0.000 0.297 757 S C -0.472 174.254 174.600 0.210 0.000 1.112 757 S CA -0.516 57.773 58.200 0.148 0.000 1.043 757 S CB 1.602 64.831 63.200 0.048 0.000 1.054 757 S HN 1.042 nan 8.310 nan 0.000 0.516 758 Y N 3.822 124.106 120.300 -0.026 0.000 2.594 758 Y HA 0.387 4.939 4.550 0.003 0.000 0.342 758 Y C 0.571 176.359 175.900 -0.187 0.000 1.010 758 Y CA -0.475 57.459 58.100 -0.278 0.000 1.270 758 Y CB -0.525 37.786 38.460 -0.249 0.000 1.125 758 Y HN 0.434 nan 8.280 nan 0.000 0.513 759 V N 4.496 124.137 119.914 -0.456 0.000 2.283 759 V HA -0.131 3.991 4.120 0.003 0.000 0.222 759 V C 1.167 177.012 176.094 -0.413 0.000 1.035 759 V CA 0.996 63.097 62.300 -0.331 0.000 1.028 759 V CB -0.470 31.211 31.823 -0.237 0.000 0.659 759 V HN 0.671 nan 8.190 nan 0.000 0.468 760 N N -0.517 117.959 118.700 -0.374 0.000 2.849 760 N HA 0.352 5.094 4.740 0.003 0.000 0.307 760 N C -0.963 174.340 175.510 -0.344 0.000 1.370 760 N CA -0.267 52.631 53.050 -0.254 0.000 0.790 760 N CB 0.416 38.867 38.487 -0.059 0.000 1.117 760 N HN 0.404 nan 8.380 nan 0.000 0.495 761 D N -1.274 119.082 120.400 -0.073 0.000 2.599 761 D HA 0.506 5.147 4.640 0.003 0.000 0.252 761 D C -1.433 175.024 176.300 0.261 0.000 1.232 761 D CA -0.294 53.736 54.000 0.049 0.000 0.819 761 D CB 2.112 42.924 40.800 0.020 0.000 1.401 761 D HN 0.380 nan 8.370 nan 0.000 0.429 762 F N -0.780 119.187 119.950 0.029 0.000 2.665 762 F HA 0.598 5.126 4.527 0.003 0.000 0.308 762 F C -1.842 173.988 175.800 0.049 0.000 1.112 762 F CA -1.148 56.893 58.000 0.067 0.000 0.972 762 F CB 0.582 39.709 39.000 0.211 0.000 1.295 762 F HN 0.045 nan 8.300 nan 0.000 0.440 763 I N 2.708 123.129 120.570 -0.248 0.000 2.371 763 I HA 0.235 4.407 4.170 0.003 0.000 0.290 763 I C -0.526 175.339 176.117 -0.420 0.000 1.028 763 I CA -0.005 61.082 61.300 -0.355 0.000 1.345 763 I CB 0.910 38.828 38.000 -0.137 0.000 1.407 763 I HN 0.625 nan 8.210 nan 0.000 0.501 764 D N 6.528 126.605 120.400 -0.537 0.000 2.441 764 D HA 0.358 5.000 4.640 0.003 0.000 0.231 764 D C -0.176 176.087 176.300 -0.062 0.000 1.073 764 D CA -0.491 53.379 54.000 -0.218 0.000 0.850 764 D CB 0.371 41.045 40.800 -0.210 0.000 1.062 764 D HN 0.420 nan 8.370 nan 0.000 0.524 765 R N 3.363 123.869 120.500 0.009 0.000 3.205 765 R HA -0.149 4.192 4.340 0.003 0.000 0.249 765 R C 0.973 177.265 176.300 -0.013 0.000 0.937 765 R CA 0.636 56.749 56.100 0.022 0.000 0.641 765 R CB -1.853 28.485 30.300 0.062 0.000 1.114 765 R HN 0.975 nan 8.270 nan 0.000 0.451 766 G N -0.342 108.438 108.800 -0.034 0.000 2.155 766 G HA2 -0.380 3.581 3.960 0.003 0.000 0.257 766 G HA3 -0.380 3.581 3.960 0.003 0.000 0.257 766 G C 0.095 174.954 174.900 -0.068 0.000 0.983 766 G CA 0.647 45.721 45.100 -0.044 0.000 0.676 766 G HN 0.547 nan 8.290 nan 0.000 0.528 767 R N -0.567 119.871 120.500 -0.103 0.000 2.673 767 R HA 0.580 4.922 4.340 0.003 0.000 0.281 767 R C -0.036 176.144 176.300 -0.200 0.000 0.991 767 R CA -0.686 55.343 56.100 -0.120 0.000 0.896 767 R CB 1.895 32.137 30.300 -0.096 0.000 1.201 767 R HN 0.082 nan 8.270 nan 0.000 0.457 768 V N 3.575 123.393 119.914 -0.160 0.000 2.775 768 V HA 0.314 4.436 4.120 0.003 0.000 0.299 768 V C 0.288 176.256 176.094 -0.210 0.000 1.062 768 V CA 0.154 62.339 62.300 -0.192 0.000 1.063 768 V CB 1.317 33.087 31.823 -0.088 0.000 0.994 768 V HN 0.758 nan 8.190 nan 0.000 0.483 769 K N 1.863 122.088 120.400 -0.292 0.000 2.466 769 K HA 0.589 4.911 4.320 0.003 0.000 0.277 769 K C -1.220 175.451 176.600 0.118 0.000 1.039 769 K CA -1.166 55.058 56.287 -0.105 0.000 0.904 769 K CB 1.920 34.318 32.500 -0.170 0.000 1.506 769 K HN 0.426 nan 8.250 nan 0.000 0.441 770 K N 0.220 120.757 120.400 0.228 0.000 2.148 770 K HA 0.509 4.831 4.320 0.003 0.000 0.239 770 K C -0.982 175.638 176.600 0.033 0.000 1.018 770 K CA -0.547 55.775 56.287 0.058 0.000 0.923 770 K CB 1.162 33.626 32.500 -0.060 0.000 1.117 770 K HN 0.174 nan 8.250 nan 0.000 0.477 771 V N 2.249 121.959 119.914 -0.341 0.000 2.439 771 V HA 0.286 4.408 4.120 0.003 0.000 0.277 771 V C -1.431 174.395 176.094 -0.447 0.000 1.008 771 V CA -0.854 61.193 62.300 -0.422 0.000 0.846 771 V CB 0.059 31.625 31.823 -0.430 0.000 1.031 771 V HN 0.539 nan 8.190 nan 0.000 0.441 772 Y N 2.695 122.810 120.300 -0.308 0.000 2.376 772 Y HA 0.751 5.302 4.550 0.003 0.000 0.325 772 Y C 0.246 175.939 175.900 -0.344 0.000 1.199 772 Y CA -0.704 57.244 58.100 -0.253 0.000 1.206 772 Y CB 2.106 40.456 38.460 -0.184 0.000 1.229 772 Y HN 0.384 nan 8.280 nan 0.000 0.480 773 V N 3.791 123.673 119.914 -0.053 0.000 2.638 773 V HA 0.618 4.739 4.120 0.003 0.000 0.306 773 V C -0.596 175.455 176.094 -0.071 0.000 1.052 773 V CA -0.972 61.248 62.300 -0.133 0.000 0.885 773 V CB 1.788 33.548 31.823 -0.104 0.000 0.999 773 V HN 0.818 nan 8.190 nan 0.000 0.424 774 M N 3.283 122.846 119.600 -0.061 0.000 2.490 774 M HA 0.498 4.980 4.480 0.003 0.000 0.286 774 M C -0.494 175.896 176.300 0.149 0.000 1.185 774 M CA -0.222 55.099 55.300 0.034 0.000 0.912 774 M CB 2.346 35.009 32.600 0.105 0.000 1.744 774 M HN 0.845 nan 8.290 nan 0.000 0.494 775 S N 2.831 118.564 115.700 0.055 0.000 2.549 775 S HA 0.253 4.725 4.470 0.003 0.000 0.279 775 S C -0.209 174.506 174.600 0.191 0.000 1.321 775 S CA -0.268 58.037 58.200 0.175 0.000 1.054 775 S CB 0.291 63.653 63.200 0.270 0.000 0.899 775 S HN 0.718 nan 8.310 nan 0.000 0.497 776 E N 3.328 123.669 120.200 0.234 0.000 2.459 776 E HA 0.232 4.583 4.350 0.003 0.000 0.264 776 E C 1.428 177.978 176.600 -0.083 0.000 1.055 776 E CA -0.061 56.347 56.400 0.013 0.000 0.957 776 E CB 0.209 29.921 29.700 0.021 0.000 0.952 776 E HN 0.696 nan 8.360 nan 0.000 0.448 777 A N 3.092 125.746 122.820 -0.277 0.000 1.869 777 A HA -0.350 3.971 4.320 0.003 0.000 0.218 777 A C 2.116 179.595 177.584 -0.174 0.000 1.203 777 A CA 2.405 54.307 52.037 -0.225 0.000 0.638 777 A CB -0.844 17.992 19.000 -0.273 0.000 0.831 777 A HN 0.875 nan 8.150 nan 0.000 0.450 778 K N -1.835 118.435 120.400 -0.217 0.000 2.206 778 K HA -0.261 4.061 4.320 0.003 0.000 0.211 778 K C 0.805 177.135 176.600 -0.451 0.000 1.047 778 K CA 2.378 58.456 56.287 -0.349 0.000 0.933 778 K CB -0.356 31.866 32.500 -0.464 0.000 0.721 778 K HN 0.679 nan 8.250 nan 0.000 0.471 779 Y N -0.250 119.950 120.300 -0.167 0.000 2.607 779 Y HA 0.175 4.726 4.550 0.003 0.000 0.266 779 Y C 0.275 176.032 175.900 -0.238 0.000 1.178 779 Y CA -0.322 57.658 58.100 -0.199 0.000 1.226 779 Y CB 0.660 38.953 38.460 -0.278 0.000 1.144 779 Y HN 0.056 nan 8.280 nan 0.000 0.528 780 R N -1.342 119.076 120.500 -0.138 0.000 2.522 780 R HA 0.257 4.598 4.340 0.003 0.000 0.314 780 R C -0.459 175.856 176.300 0.025 0.000 1.178 780 R CA -0.022 55.925 56.100 -0.254 0.000 1.294 780 R CB -0.399 29.531 30.300 -0.617 0.000 1.345 780 R HN 0.108 nan 8.270 nan 0.000 0.710 781 M N 0.434 120.055 119.600 0.034 0.000 2.491 781 M HA 0.380 4.862 4.480 0.003 0.000 0.259 781 M C 0.044 176.376 176.300 0.053 0.000 1.163 781 M CA 0.370 55.687 55.300 0.028 0.000 1.109 781 M CB 0.118 32.700 32.600 -0.029 0.000 1.353 781 M HN 0.262 nan 8.290 nan 0.000 0.500 782 L N -1.449 119.820 121.223 0.078 0.000 2.409 782 L HA 0.378 4.720 4.340 0.003 0.000 0.262 782 L C -1.841 175.038 176.870 0.015 0.000 0.992 782 L CA -1.961 52.901 54.840 0.036 0.000 0.817 782 L CB 1.485 43.561 42.059 0.027 0.000 1.350 782 L HN -0.219 nan 8.230 nan 0.000 0.411 783 P HA -0.225 nan 4.420 nan 0.000 0.216 783 P C 0.591 177.897 177.300 0.010 0.000 1.167 783 P CA 1.646 64.580 63.100 -0.277 0.000 0.933 783 P CB 0.206 31.843 31.700 -0.104 0.000 0.793 784 D N -0.840 119.604 120.400 0.073 0.000 2.154 784 D HA -0.208 4.434 4.640 0.003 0.000 0.190 784 D C 1.466 177.835 176.300 0.116 0.000 1.003 784 D CA 1.519 55.575 54.000 0.092 0.000 0.849 784 D CB -0.833 40.008 40.800 0.068 0.000 0.942 784 D HN 0.228 nan 8.370 nan 0.000 0.446 785 D N -0.223 120.265 120.400 0.147 0.000 2.332 785 D HA -0.184 4.458 4.640 0.003 0.000 0.209 785 D C 1.873 178.410 176.300 0.394 0.000 0.988 785 D CA 0.420 54.556 54.000 0.228 0.000 0.912 785 D CB -0.167 40.790 40.800 0.262 0.000 0.899 785 D HN 0.281 nan 8.370 nan 0.000 0.477 786 I N 1.112 121.883 120.570 0.334 0.000 2.179 786 I HA -0.166 4.006 4.170 0.003 0.000 0.242 786 I C 2.545 178.745 176.117 0.139 0.000 1.088 786 I CA 1.385 62.841 61.300 0.261 0.000 1.357 786 I CB -0.653 37.365 38.000 0.030 0.000 1.051 786 I HN 0.010 nan 8.210 nan 0.000 0.409 787 G N -0.174 108.670 108.800 0.074 0.000 2.553 787 G HA2 -0.360 3.601 3.960 0.003 0.000 0.218 787 G HA3 -0.360 3.601 3.960 0.003 0.000 0.218 787 G C 1.482 176.306 174.900 -0.127 0.000 1.195 787 G CA 1.229 46.314 45.100 -0.025 0.000 0.779 787 G HN 0.372 nan 8.290 nan 0.000 0.577 788 D N 0.316 120.669 120.400 -0.079 0.000 2.585 788 D HA -0.154 4.487 4.640 0.003 0.000 0.190 788 D C 0.521 176.612 176.300 -0.349 0.000 1.057 788 D CA 1.072 54.959 54.000 -0.189 0.000 0.900 788 D CB -0.200 40.481 40.800 -0.199 0.000 0.900 788 D HN 0.481 nan 8.370 nan 0.000 0.463 789 W N -0.148 121.059 121.300 -0.155 0.000 2.311 789 W HA 0.249 4.910 4.660 0.003 0.000 0.310 789 W C -0.169 176.286 176.519 -0.108 0.000 1.274 789 W CA -0.576 56.683 57.345 -0.143 0.000 1.215 789 W CB 0.265 29.567 29.460 -0.263 0.000 1.227 789 W HN -0.141 nan 8.180 nan 0.000 0.523 790 Y N 2.654 123.160 120.300 0.343 0.000 2.335 790 Y HA 0.468 5.020 4.550 0.003 0.000 0.338 790 Y C 0.347 176.474 175.900 0.379 0.000 0.977 790 Y CA -0.947 57.349 58.100 0.327 0.000 1.114 790 Y CB 0.957 39.523 38.460 0.175 0.000 1.182 790 Y HN 0.016 nan 8.280 nan 0.000 0.463 791 V N 3.784 124.034 119.914 0.560 0.000 2.973 791 V HA 0.493 4.615 4.120 0.003 0.000 0.314 791 V C -0.202 176.075 176.094 0.305 0.000 1.066 791 V CA -1.196 61.359 62.300 0.425 0.000 1.021 791 V CB 1.768 33.835 31.823 0.408 0.000 1.076 791 V HN 0.678 nan 8.190 nan 0.000 0.462 792 R N 1.324 121.950 120.500 0.210 0.000 2.460 792 R HA 0.729 5.071 4.340 0.003 0.000 0.303 792 R C -0.484 175.873 176.300 0.096 0.000 0.968 792 R CA -0.240 55.947 56.100 0.145 0.000 0.889 792 R CB 1.374 31.744 30.300 0.117 0.000 1.123 792 R HN 0.913 nan 8.270 nan 0.000 0.455 793 A N 2.758 125.622 122.820 0.074 0.000 2.320 793 A HA 0.580 4.902 4.320 0.003 0.000 0.334 793 A C 0.911 178.512 177.584 0.028 0.000 1.147 793 A CA -0.116 51.942 52.037 0.035 0.000 0.820 793 A CB 1.288 20.304 19.000 0.028 0.000 1.218 793 A HN 0.989 nan 8.150 nan 0.000 0.482 794 A N 0.465 123.292 122.820 0.011 0.000 1.927 794 A HA -0.245 4.077 4.320 0.003 0.000 0.220 794 A C 1.694 179.287 177.584 0.015 0.000 1.185 794 A CA 2.402 54.446 52.037 0.011 0.000 0.639 794 A CB -0.754 18.247 19.000 0.001 0.000 0.820 794 A HN 0.891 nan 8.150 nan 0.000 0.451 795 D N -1.000 119.408 120.400 0.014 0.000 2.220 795 D HA -0.125 4.517 4.640 0.003 0.000 0.198 795 D C 1.405 177.718 176.300 0.021 0.000 1.001 795 D CA 2.035 56.045 54.000 0.017 0.000 0.875 795 D CB -0.386 40.425 40.800 0.019 0.000 0.921 795 D HN 0.837 nan 8.370 nan 0.000 0.454 796 G N 0.308 109.125 108.800 0.028 0.000 2.131 796 G HA2 -0.237 3.725 3.960 0.003 0.000 0.201 796 G HA3 -0.237 3.725 3.960 0.003 0.000 0.201 796 G C -0.118 174.801 174.900 0.032 0.000 1.000 796 G CA 0.371 45.489 45.100 0.030 0.000 0.680 796 G HN 0.573 nan 8.290 nan 0.000 0.514 797 Q N -0.118 119.705 119.800 0.039 0.000 2.304 797 Q HA 0.785 5.126 4.340 0.003 0.000 0.270 797 Q C 0.300 176.340 176.000 0.067 0.000 1.035 797 Q CA -1.466 54.360 55.803 0.040 0.000 0.781 797 Q CB 1.599 30.358 28.738 0.034 0.000 1.261 797 Q HN 0.079 nan 8.270 nan 0.000 0.444 798 M N 1.841 121.476 119.600 0.058 0.000 2.247 798 M HA 0.184 4.665 4.480 0.003 0.000 0.318 798 M C -0.362 176.073 176.300 0.225 0.000 1.054 798 M CA 0.104 55.473 55.300 0.115 0.000 1.117 798 M CB 0.253 32.838 32.600 -0.025 0.000 1.515 798 M HN 0.620 nan 8.290 nan 0.000 0.442 799 V N 3.271 123.430 119.914 0.408 0.000 2.733 799 V HA 0.399 4.521 4.120 0.003 0.000 0.306 799 V C -2.357 174.069 176.094 0.554 0.000 1.084 799 V CA -1.597 60.980 62.300 0.462 0.000 0.905 799 V CB 2.436 34.450 31.823 0.318 0.000 1.010 799 V HN 0.657 nan 8.190 nan 0.000 0.424 800 P HA 0.301 nan 4.420 nan 0.000 0.272 800 P C 0.559 177.927 177.300 0.113 0.000 1.230 800 P CA -0.051 62.975 63.100 -0.122 0.000 0.788 800 P CB 0.717 32.309 31.700 -0.179 0.000 0.949 801 F N 0.523 120.336 119.950 -0.228 0.000 2.113 801 F HA -0.220 4.308 4.527 0.003 0.000 0.297 801 F C 2.603 178.024 175.800 -0.632 0.000 1.103 801 F CA 1.684 59.391 58.000 -0.488 0.000 1.248 801 F CB -0.356 38.456 39.000 -0.314 0.000 0.999 801 F HN 0.300 nan 8.300 nan 0.000 0.475 802 S N 0.568 116.209 115.700 -0.099 0.000 2.461 802 S HA -0.256 4.216 4.470 0.003 0.000 0.246 802 S C 1.840 176.404 174.600 -0.059 0.000 1.007 802 S CA 0.998 59.148 58.200 -0.084 0.000 0.976 802 S CB -0.564 62.621 63.200 -0.025 0.000 0.763 802 S HN 0.316 nan 8.310 nan 0.000 0.508 803 A N 0.308 123.121 122.820 -0.013 0.000 2.167 803 A HA 0.341 4.663 4.320 0.003 0.000 0.214 803 A C 1.305 179.004 177.584 0.191 0.000 1.151 803 A CA 0.807 52.916 52.037 0.120 0.000 0.735 803 A CB -0.580 18.555 19.000 0.225 0.000 0.802 803 A HN 1.246 nan 8.150 nan 0.000 0.467 804 F N -3.884 116.059 119.950 -0.012 0.000 3.033 804 F HA 0.499 5.028 4.527 0.003 0.000 0.332 804 F C -0.404 175.352 175.800 -0.074 0.000 1.266 804 F CA -0.523 57.448 58.000 -0.048 0.000 0.998 804 F CB -0.213 38.741 39.000 -0.077 0.000 1.438 804 F HN -0.123 nan 8.300 nan 0.000 0.501 805 S N 0.827 116.277 115.700 -0.418 0.000 2.568 805 S HA 0.778 5.250 4.470 0.003 0.000 0.293 805 S C -0.573 173.940 174.600 -0.145 0.000 1.089 805 S CA -0.458 57.555 58.200 -0.312 0.000 0.945 805 S CB 2.036 64.988 63.200 -0.413 0.000 1.077 805 S HN 0.484 nan 8.310 nan 0.000 0.485 806 S N 1.122 116.750 115.700 -0.121 0.000 2.569 806 S HA 0.792 5.264 4.470 0.003 0.000 0.280 806 S C -0.307 174.186 174.600 -0.180 0.000 1.111 806 S CA -0.506 57.632 58.200 -0.103 0.000 0.887 806 S CB 1.680 64.836 63.200 -0.074 0.000 1.095 806 S HN 0.514 nan 8.310 nan 0.000 0.476 807 S N 1.725 117.307 115.700 -0.197 0.000 2.496 807 S HA 0.880 5.351 4.470 0.003 0.000 0.260 807 S C -0.596 173.783 174.600 -0.368 0.000 1.122 807 S CA -0.674 57.268 58.200 -0.431 0.000 1.019 807 S CB 0.273 63.265 63.200 -0.346 0.000 1.226 807 S HN 1.208 nan 8.310 nan 0.000 0.502 808 R N -0.935 119.320 120.500 -0.408 0.000 7.812 808 R HA -0.066 4.276 4.340 0.003 0.000 0.239 808 R C -2.542 173.612 176.300 -0.243 0.000 0.853 808 R CA -0.541 55.458 56.100 -0.169 0.000 1.884 808 R CB -1.304 28.921 30.300 -0.125 0.000 1.172 808 R HN 0.511 nan 8.270 nan 0.000 0.934 809 W N 2.499 123.736 121.300 -0.106 0.000 2.512 809 W HA 0.578 5.239 4.660 0.003 0.000 0.335 809 W C 0.169 176.653 176.519 -0.057 0.000 1.088 809 W CA 0.185 57.492 57.345 -0.064 0.000 1.236 809 W CB 1.558 31.002 29.460 -0.026 0.000 1.307 809 W HN 0.787 nan 8.180 nan 0.000 0.567 810 E N 0.380 120.686 120.200 0.176 0.000 2.445 810 E HA 0.456 4.808 4.350 0.003 0.000 0.279 810 E C -1.706 174.995 176.600 0.169 0.000 1.018 810 E CA -1.057 55.446 56.400 0.172 0.000 0.816 810 E CB 1.459 31.233 29.700 0.123 0.000 1.356 810 E HN 0.291 nan 8.360 nan 0.000 0.462 811 Y N -0.313 120.067 120.300 0.134 0.000 2.374 811 Y HA 0.718 5.269 4.550 0.003 0.000 0.322 811 Y C 0.983 176.952 175.900 0.116 0.000 1.275 811 Y CA 0.527 58.710 58.100 0.138 0.000 1.307 811 Y CB 1.717 40.248 38.460 0.119 0.000 1.282 811 Y HN 0.787 nan 8.280 nan 0.000 0.509 812 G N -0.675 108.297 108.800 0.286 0.000 2.815 812 G HA2 0.461 4.423 3.960 0.003 0.000 0.305 812 G HA3 0.461 4.423 3.960 0.003 0.000 0.305 812 G C -1.561 173.422 174.900 0.138 0.000 1.277 812 G CA -0.847 44.352 45.100 0.165 0.000 0.795 812 G HN 0.472 nan 8.290 nan 0.000 0.528 813 S N 0.399 116.103 115.700 0.007 0.000 2.774 813 S HA 0.589 5.060 4.470 0.003 0.000 0.297 813 S C -1.615 172.977 174.600 -0.014 0.000 1.143 813 S CA -1.049 57.133 58.200 -0.029 0.000 1.090 813 S CB 1.687 64.721 63.200 -0.276 0.000 1.019 813 S HN 0.183 nan 8.310 nan 0.000 0.482 814 P HA -0.210 nan 4.420 nan 0.000 0.208 814 P C 0.159 177.468 177.300 0.015 0.000 0.999 814 P CA 1.372 64.493 63.100 0.036 0.000 0.988 814 P CB 0.035 31.766 31.700 0.052 0.000 0.745 815 R N -0.239 120.270 120.500 0.014 0.000 2.549 815 R HA 0.544 4.886 4.340 0.003 0.000 0.267 815 R C -1.154 175.134 176.300 -0.019 0.000 1.045 815 R CA -0.508 55.595 56.100 0.005 0.000 1.115 815 R CB 0.439 30.748 30.300 0.016 0.000 1.121 815 R HN 0.062 nan 8.270 nan 0.000 0.543 816 L N 1.151 122.358 121.223 -0.027 0.000 2.472 816 L HA 0.419 4.761 4.340 0.003 0.000 0.260 816 L C -1.499 175.361 176.870 -0.015 0.000 0.963 816 L CA -0.354 54.453 54.840 -0.054 0.000 0.829 816 L CB 2.160 44.156 42.059 -0.105 0.000 1.348 816 L HN 0.999 nan 8.230 nan 0.000 0.408 817 E N 3.610 123.813 120.200 0.005 0.000 2.416 817 E HA 0.846 5.198 4.350 0.003 0.000 0.273 817 E C -1.432 175.191 176.600 0.039 0.000 0.935 817 E CA -1.203 55.213 56.400 0.027 0.000 0.784 817 E CB 2.431 32.157 29.700 0.044 0.000 1.301 817 E HN 0.515 nan 8.360 nan 0.000 0.454 818 R N 0.758 121.289 120.500 0.053 0.000 2.566 818 R HA 0.291 4.632 4.340 0.003 0.000 0.271 818 R C -1.817 174.546 176.300 0.106 0.000 1.071 818 R CA -0.921 55.217 56.100 0.063 0.000 0.915 818 R CB 1.479 31.795 30.300 0.026 0.000 1.228 818 R HN 0.585 nan 8.270 nan 0.000 0.449 819 Y N 2.873 123.147 120.300 -0.043 0.000 2.335 819 Y HA 0.197 4.749 4.550 0.003 0.000 0.339 819 Y C 0.093 175.958 175.900 -0.059 0.000 0.987 819 Y CA -0.472 57.594 58.100 -0.055 0.000 1.140 819 Y CB 0.950 39.359 38.460 -0.084 0.000 1.173 819 Y HN 0.683 nan 8.280 nan 0.000 0.486 820 N N 4.348 122.897 118.700 -0.251 0.000 2.708 820 N HA -0.207 4.535 4.740 0.003 0.000 0.255 820 N C 0.930 176.391 175.510 -0.082 0.000 1.046 820 N CA 1.066 54.005 53.050 -0.187 0.000 0.715 820 N CB -1.010 37.381 38.487 -0.159 0.000 0.895 820 N HN 1.217 nan 8.380 nan 0.000 0.545 821 G N -1.032 107.726 108.800 -0.070 0.000 2.205 821 G HA2 -0.338 3.624 3.960 0.003 0.000 0.269 821 G HA3 -0.338 3.624 3.960 0.003 0.000 0.269 821 G C 0.137 175.026 174.900 -0.019 0.000 0.977 821 G CA 1.037 46.112 45.100 -0.042 0.000 0.652 821 G HN 0.477 nan 8.290 nan 0.000 0.539 822 L N 0.600 121.821 121.223 -0.003 0.000 2.329 822 L HA 0.479 4.821 4.340 0.003 0.000 0.279 822 L C -2.205 174.684 176.870 0.033 0.000 1.014 822 L CA -2.570 52.278 54.840 0.014 0.000 0.814 822 L CB 2.027 44.096 42.059 0.017 0.000 1.257 822 L HN -0.226 nan 8.230 nan 0.000 0.424 823 P HA 0.057 nan 4.420 nan 0.000 0.258 823 P C -0.978 176.346 177.300 0.040 0.000 1.187 823 P CA 0.487 63.609 63.100 0.036 0.000 0.767 823 P CB 0.581 32.303 31.700 0.037 0.000 0.770 824 S N 2.938 118.668 115.700 0.050 0.000 2.607 824 S HA 0.681 5.152 4.470 0.003 0.000 0.273 824 S C -0.759 173.856 174.600 0.025 0.000 1.148 824 S CA -0.696 57.522 58.200 0.029 0.000 0.833 824 S CB 1.391 64.616 63.200 0.041 0.000 1.130 824 S HN 0.275 nan 8.310 nan 0.000 0.470 825 M N 1.825 121.419 119.600 -0.010 0.000 2.327 825 M HA 0.397 4.879 4.480 0.003 0.000 0.298 825 M C -0.676 175.598 176.300 -0.043 0.000 1.065 825 M CA -0.394 54.906 55.300 -0.001 0.000 0.916 825 M CB 2.255 34.869 32.600 0.024 0.000 1.630 825 M HN 0.712 nan 8.290 nan 0.000 0.442 826 E N 3.446 123.625 120.200 -0.035 0.000 2.313 826 E HA 0.636 4.988 4.350 0.003 0.000 0.272 826 E C -1.481 175.100 176.600 -0.032 0.000 1.038 826 E CA -0.328 56.036 56.400 -0.059 0.000 0.863 826 E CB 1.186 30.860 29.700 -0.042 0.000 1.060 826 E HN 0.591 nan 8.360 nan 0.000 0.402 827 I N 3.440 123.995 120.570 -0.025 0.000 2.934 827 I HA 0.238 4.409 4.170 0.003 0.000 0.306 827 I C -0.514 175.553 176.117 -0.082 0.000 1.110 827 I CA -1.048 60.240 61.300 -0.020 0.000 1.019 827 I CB 1.867 39.896 38.000 0.048 0.000 1.227 827 I HN 0.485 nan 8.210 nan 0.000 0.434 828 L N 3.949 125.090 121.223 -0.137 0.000 2.679 828 L HA 0.393 4.734 4.340 0.003 0.000 0.238 828 L C 0.358 177.123 176.870 -0.175 0.000 1.330 828 L CA -0.391 54.289 54.840 -0.266 0.000 0.935 828 L CB 0.741 42.592 42.059 -0.346 0.000 1.243 828 L HN 0.706 nan 8.230 nan 0.000 0.484 829 G N 1.486 110.235 108.800 -0.084 0.000 2.372 829 G HA2 0.384 4.346 3.960 0.003 0.000 0.286 829 G HA3 0.384 4.346 3.960 0.003 0.000 0.286 829 G C -0.193 174.708 174.900 0.001 0.000 1.153 829 G CA -0.074 44.996 45.100 -0.049 0.000 0.985 829 G HN 0.510 nan 8.290 nan 0.000 0.429 830 Q N 0.876 120.668 119.800 -0.013 0.000 2.333 830 Q HA 0.566 4.908 4.340 0.003 0.000 0.268 830 Q C -0.495 175.512 176.000 0.012 0.000 1.007 830 Q CA -0.747 55.073 55.803 0.028 0.000 0.810 830 Q CB 2.553 31.308 28.738 0.029 0.000 1.264 830 Q HN 0.561 nan 8.270 nan 0.000 0.452 831 A N 1.703 124.535 122.820 0.019 0.000 2.399 831 A HA 0.609 4.931 4.320 0.003 0.000 0.327 831 A C 0.214 177.803 177.584 0.008 0.000 1.367 831 A CA -0.540 51.500 52.037 0.005 0.000 0.842 831 A CB 0.463 19.461 19.000 -0.004 0.000 1.142 831 A HN 0.776 nan 8.150 nan 0.000 0.495 832 A N 3.581 126.406 122.820 0.009 0.000 2.734 832 A HA 0.489 4.811 4.320 0.003 0.000 0.279 832 A C -0.755 176.830 177.584 0.002 0.000 1.386 832 A CA -0.676 51.366 52.037 0.008 0.000 0.987 832 A CB -0.783 18.224 19.000 0.012 0.000 1.041 832 A HN 0.582 nan 8.150 nan 0.000 0.569 833 P HA 0.016 nan 4.420 nan 0.000 0.215 833 P C 1.322 178.615 177.300 -0.012 0.000 1.153 833 P CA 2.093 65.188 63.100 -0.008 0.000 0.853 833 P CB 0.246 31.940 31.700 -0.011 0.000 0.788 834 G N -2.278 106.514 108.800 -0.013 0.000 2.541 834 G HA2 -0.145 3.816 3.960 0.003 0.000 0.201 834 G HA3 -0.145 3.816 3.960 0.003 0.000 0.201 834 G C 0.052 174.937 174.900 -0.025 0.000 1.026 834 G CA -0.403 44.688 45.100 -0.015 0.000 0.687 834 G HN 0.342 nan 8.290 nan 0.000 0.492 835 K N 1.735 122.114 120.400 -0.036 0.000 2.172 835 K HA 0.519 4.840 4.320 0.003 0.000 0.276 835 K C 0.542 177.119 176.600 -0.038 0.000 1.013 835 K CA 0.407 56.666 56.287 -0.047 0.000 0.913 835 K CB 1.449 33.911 32.500 -0.063 0.000 1.055 835 K HN 1.395 nan 8.250 nan 0.000 0.461 836 S N 0.485 116.161 115.700 -0.040 0.000 3.391 836 S HA -0.150 4.321 4.470 0.003 0.000 0.458 836 S C 0.309 174.888 174.600 -0.035 0.000 0.812 836 S CA 0.765 58.943 58.200 -0.036 0.000 1.366 836 S CB -2.031 61.150 63.200 -0.032 0.000 0.943 836 S HN 0.782 nan 8.310 nan 0.000 0.680 837 T N 1.394 115.922 114.554 -0.043 0.000 3.065 837 T HA 0.275 4.627 4.350 0.003 0.000 0.252 837 T C 2.047 176.709 174.700 -0.063 0.000 1.099 837 T CA 0.457 62.529 62.100 -0.047 0.000 1.063 837 T CB -0.175 68.660 68.868 -0.055 0.000 0.948 837 T HN 1.028 nan 8.240 nan 0.000 0.506 838 G N 1.307 110.066 108.800 -0.068 0.000 2.653 838 G HA2 -0.142 3.820 3.960 0.003 0.000 0.212 838 G HA3 -0.142 3.820 3.960 0.003 0.000 0.212 838 G C 1.184 176.062 174.900 -0.037 0.000 1.138 838 G CA 0.570 45.626 45.100 -0.073 0.000 0.782 838 G HN 0.586 nan 8.290 nan 0.000 0.535 839 E N -0.352 119.831 120.200 -0.027 0.000 2.290 839 E HA 0.252 4.604 4.350 0.003 0.000 0.199 839 E C 2.598 179.190 176.600 -0.014 0.000 0.912 839 E CA 0.504 56.895 56.400 -0.016 0.000 0.924 839 E CB -0.099 29.591 29.700 -0.016 0.000 0.901 839 E HN 0.188 nan 8.360 nan 0.000 0.487 840 A N 1.789 124.600 122.820 -0.015 0.000 1.948 840 A HA -0.198 4.124 4.320 0.003 0.000 0.220 840 A C 2.198 179.799 177.584 0.028 0.000 1.177 840 A CA 1.717 53.748 52.037 -0.011 0.000 0.636 840 A CB -0.438 18.561 19.000 -0.003 0.000 0.815 840 A HN 0.304 nan 8.150 nan 0.000 0.449 841 M N -0.821 118.829 119.600 0.083 0.000 2.123 841 M HA -0.089 4.393 4.480 0.003 0.000 0.263 841 M C 1.858 178.274 176.300 0.192 0.000 1.069 841 M CA 1.342 56.823 55.300 0.301 0.000 1.133 841 M CB -1.561 31.160 32.600 0.201 0.000 1.356 841 M HN 0.498 nan 8.290 nan 0.000 0.415 842 E N 0.767 121.018 120.200 0.085 0.000 2.130 842 E HA -0.236 4.116 4.350 0.003 0.000 0.196 842 E C 2.044 178.610 176.600 -0.058 0.000 0.998 842 E CA 1.174 57.589 56.400 0.025 0.000 0.806 842 E CB -0.297 29.409 29.700 0.010 0.000 0.738 842 E HN 0.242 nan 8.360 nan 0.000 0.459 843 L N 0.710 121.879 121.223 -0.090 0.000 1.955 843 L HA -0.260 4.081 4.340 0.003 0.000 0.213 843 L C 2.182 178.909 176.870 -0.239 0.000 1.072 843 L CA 1.781 56.520 54.840 -0.168 0.000 0.755 843 L CB -0.488 41.435 42.059 -0.227 0.000 0.888 843 L HN 0.120 nan 8.230 nan 0.000 0.432 844 M N -0.408 119.003 119.600 -0.316 0.000 2.706 844 M HA -0.350 4.132 4.480 0.003 0.000 0.266 844 M C 2.141 178.125 176.300 -0.527 0.000 1.060 844 M CA 2.257 57.221 55.300 -0.559 0.000 1.070 844 M CB -1.837 30.237 32.600 -0.876 0.000 1.241 844 M HN 0.361 nan 8.290 nan 0.000 0.488 845 E N 0.199 120.092 120.200 -0.512 0.000 2.136 845 E HA -0.271 4.080 4.350 0.003 0.000 0.202 845 E C 2.101 178.461 176.600 -0.399 0.000 1.019 845 E CA 1.963 57.903 56.400 -0.767 0.000 0.819 845 E CB -0.323 29.013 29.700 -0.607 0.000 0.739 845 E HN 0.753 nan 8.360 nan 0.000 0.458 846 Q N 0.350 120.018 119.800 -0.219 0.000 2.134 846 Q HA -0.049 4.293 4.340 0.003 0.000 0.195 846 Q C 2.399 178.335 176.000 -0.107 0.000 0.958 846 Q CA 0.383 56.120 55.803 -0.111 0.000 0.840 846 Q CB -0.498 28.201 28.738 -0.067 0.000 0.918 846 Q HN 0.183 nan 8.270 nan 0.000 0.467 847 L N 2.068 123.203 121.223 -0.147 0.000 1.991 847 L HA -0.212 4.130 4.340 0.003 0.000 0.221 847 L C 2.371 179.167 176.870 -0.124 0.000 1.079 847 L CA 2.664 57.419 54.840 -0.141 0.000 0.778 847 L CB -0.799 41.127 42.059 -0.223 0.000 0.893 847 L HN 0.367 nan 8.230 nan 0.000 0.437 848 A N -2.376 120.341 122.820 -0.171 0.000 2.208 848 A HA 0.010 4.332 4.320 0.003 0.000 0.209 848 A C 2.172 179.729 177.584 -0.045 0.000 1.161 848 A CA 0.997 52.967 52.037 -0.113 0.000 0.782 848 A CB -0.547 18.375 19.000 -0.131 0.000 0.816 848 A HN 0.499 nan 8.150 nan 0.000 0.477 849 S N 0.350 116.023 115.700 -0.045 0.000 2.500 849 S HA -0.113 4.359 4.470 0.003 0.000 0.239 849 S C 1.483 176.088 174.600 0.007 0.000 0.989 849 S CA 1.308 59.513 58.200 0.007 0.000 0.951 849 S CB -0.159 63.046 63.200 0.008 0.000 0.759 849 S HN 0.713 nan 8.310 nan 0.000 0.523 850 K N 0.690 121.084 120.400 -0.010 0.000 2.487 850 K HA 0.192 4.514 4.320 0.003 0.000 0.192 850 K C 0.312 176.909 176.600 -0.005 0.000 1.027 850 K CA 0.082 56.365 56.287 -0.006 0.000 1.054 850 K CB -0.072 32.421 32.500 -0.011 0.000 0.824 850 K HN 0.313 nan 8.250 nan 0.000 0.510 851 L N 1.588 122.809 121.223 -0.003 0.000 2.476 851 L HA 0.094 4.436 4.340 0.003 0.000 0.255 851 L C -1.486 175.386 176.870 0.002 0.000 1.218 851 L CA -1.800 53.038 54.840 -0.002 0.000 0.819 851 L CB -0.306 41.754 42.059 0.002 0.000 1.119 851 L HN -0.088 nan 8.230 nan 0.000 0.485 852 P HA 0.005 nan 4.420 nan 0.000 0.295 852 P C -0.745 176.555 177.300 0.001 0.000 1.300 852 P CA -0.016 63.081 63.100 -0.004 0.000 0.801 852 P CB 0.253 31.947 31.700 -0.010 0.000 1.420 853 T N -1.037 113.516 114.554 -0.002 0.000 2.794 853 T HA 0.507 4.859 4.350 0.003 0.000 0.280 853 T C 0.725 175.422 174.700 -0.004 0.000 0.987 853 T CA 0.355 62.454 62.100 -0.001 0.000 0.993 853 T CB 1.038 69.905 68.868 -0.002 0.000 0.939 853 T HN 0.736 nan 8.240 nan 0.000 0.449 854 G N 2.229 111.027 108.800 -0.004 0.000 2.339 854 G HA2 -0.231 3.731 3.960 0.003 0.000 0.209 854 G HA3 -0.231 3.731 3.960 0.003 0.000 0.209 854 G C 0.126 175.021 174.900 -0.008 0.000 1.015 854 G CA -0.379 44.716 45.100 -0.008 0.000 0.635 854 G HN 0.753 nan 8.290 nan 0.000 0.499 855 V N 2.665 122.578 119.914 -0.001 0.000 2.421 855 V HA 0.565 4.686 4.120 0.003 0.000 0.271 855 V C 1.208 177.314 176.094 0.019 0.000 1.031 855 V CA 0.737 63.041 62.300 0.006 0.000 1.032 855 V CB 0.514 32.345 31.823 0.013 0.000 1.009 855 V HN 0.811 nan 8.190 nan 0.000 0.477 856 G N 4.031 112.828 108.800 -0.005 0.000 3.016 856 G HA2 0.775 4.737 3.960 0.003 0.000 0.270 856 G HA3 0.775 4.737 3.960 0.003 0.000 0.270 856 G C -1.222 173.673 174.900 -0.009 0.000 1.352 856 G CA -0.620 44.462 45.100 -0.030 0.000 1.060 856 G HN 0.734 nan 8.290 nan 0.000 0.538 857 Y N -2.137 118.062 120.300 -0.169 0.000 2.705 857 Y HA 0.828 5.380 4.550 0.003 0.000 0.332 857 Y C -1.010 174.580 175.900 -0.517 0.000 1.157 857 Y CA -1.244 56.628 58.100 -0.381 0.000 1.091 857 Y CB 2.220 40.562 38.460 -0.197 0.000 1.301 857 Y HN 0.659 nan 8.280 nan 0.000 0.488 858 D N -0.911 119.048 120.400 -0.734 0.000 2.913 858 D HA 0.141 4.783 4.640 0.003 0.000 0.293 858 D C -2.478 173.289 176.300 -0.887 0.000 1.238 858 D CA -0.676 52.933 54.000 -0.653 0.000 0.738 858 D CB 0.920 41.466 40.800 -0.424 0.000 1.254 858 D HN 0.672 nan 8.370 nan 0.000 0.429 859 W N 0.761 121.940 121.300 -0.203 0.000 2.475 859 W HA 0.568 5.229 4.660 0.003 0.000 0.317 859 W C 0.172 176.574 176.519 -0.195 0.000 1.046 859 W CA -0.356 56.891 57.345 -0.164 0.000 1.215 859 W CB 2.055 31.542 29.460 0.044 0.000 1.335 859 W HN 0.004 nan 8.180 nan 0.000 0.471 860 T N 1.424 115.971 114.554 -0.012 0.000 2.940 860 T HA 0.702 5.054 4.350 0.003 0.000 0.288 860 T C 0.774 175.473 174.700 -0.001 0.000 1.045 860 T CA 0.404 62.417 62.100 -0.146 0.000 1.018 860 T CB 1.358 70.141 68.868 -0.140 0.000 1.151 860 T HN 0.863 nan 8.240 nan 0.000 0.529 861 G N 1.433 110.173 108.800 -0.101 0.000 2.622 861 G HA2 -0.358 3.604 3.960 0.003 0.000 0.307 861 G HA3 -0.358 3.604 3.960 0.003 0.000 0.307 861 G C 0.999 175.959 174.900 0.100 0.000 1.226 861 G CA 1.002 46.167 45.100 0.108 0.000 0.997 861 G HN 0.701 nan 8.290 nan 0.000 0.551 862 M N 0.372 120.023 119.600 0.086 0.000 2.213 862 M HA 0.079 4.560 4.480 0.003 0.000 0.263 862 M C 2.672 178.948 176.300 -0.039 0.000 1.062 862 M CA 2.816 58.068 55.300 -0.080 0.000 1.105 862 M CB -0.612 31.745 32.600 -0.405 0.000 1.385 862 M HN 0.505 nan 8.290 nan 0.000 0.417 863 S N -1.181 114.582 115.700 0.105 0.000 2.382 863 S HA -0.162 4.310 4.470 0.003 0.000 0.228 863 S C 1.740 176.299 174.600 -0.069 0.000 1.027 863 S CA 1.103 59.324 58.200 0.034 0.000 0.991 863 S CB -0.535 62.893 63.200 0.381 0.000 0.823 863 S HN 0.694 nan 8.310 nan 0.000 0.469 864 Y N 1.891 122.158 120.300 -0.055 0.000 2.421 864 Y HA 0.117 4.668 4.550 0.003 0.000 0.292 864 Y C 1.528 177.370 175.900 -0.096 0.000 1.136 864 Y CA 0.941 59.001 58.100 -0.068 0.000 1.255 864 Y CB -0.150 38.215 38.460 -0.159 0.000 0.991 864 Y HN 0.214 nan 8.280 nan 0.000 0.552 865 Q N 1.524 121.278 119.800 -0.078 0.000 3.223 865 Q HA -0.031 4.311 4.340 0.003 0.000 0.299 865 Q C 0.824 176.681 176.000 -0.238 0.000 1.385 865 Q CA -0.264 55.449 55.803 -0.150 0.000 0.942 865 Q CB 0.122 28.816 28.738 -0.073 0.000 1.748 865 Q HN 0.426 nan 8.270 nan 0.000 0.523 866 E N 1.314 121.321 120.200 -0.323 0.000 2.094 866 E HA -0.256 4.096 4.350 0.003 0.000 0.232 866 E C 0.028 176.480 176.600 -0.248 0.000 1.055 866 E CA 1.519 57.733 56.400 -0.311 0.000 0.923 866 E CB -0.168 29.354 29.700 -0.296 0.000 0.815 866 E HN 0.523 nan 8.360 nan 0.000 0.502 867 R N 1.382 121.742 120.500 -0.233 0.000 2.402 867 R HA 0.104 4.446 4.340 0.003 0.000 0.331 867 R C 0.446 176.593 176.300 -0.255 0.000 1.040 867 R CA -0.080 55.880 56.100 -0.233 0.000 0.980 867 R CB -0.057 30.086 30.300 -0.262 0.000 0.967 867 R HN 0.059 nan 8.270 nan 0.000 0.440 868 L N 1.741 122.849 121.223 -0.193 0.000 2.578 868 L HA 0.311 4.652 4.340 0.003 0.000 0.259 868 L C 0.017 176.840 176.870 -0.078 0.000 1.082 868 L CA -0.271 54.483 54.840 -0.144 0.000 0.843 868 L CB 1.364 43.362 42.059 -0.101 0.000 1.535 868 L HN 0.560 nan 8.230 nan 0.000 0.510 869 S N -0.035 115.697 115.700 0.053 0.000 2.474 869 S HA 0.555 5.027 4.470 0.003 0.000 0.276 869 S C 0.570 175.307 174.600 0.228 0.000 1.227 869 S CA -0.026 58.313 58.200 0.231 0.000 1.050 869 S CB 0.444 63.712 63.200 0.112 0.000 0.939 869 S HN 1.428 nan 8.310 nan 0.000 0.490 870 G N 3.808 112.788 108.800 0.299 0.000 2.313 870 G HA2 -0.310 3.652 3.960 0.003 0.000 0.215 870 G HA3 -0.310 3.652 3.960 0.003 0.000 0.215 870 G C 0.807 175.787 174.900 0.134 0.000 1.023 870 G CA 0.231 45.445 45.100 0.191 0.000 0.626 870 G HN 0.771 nan 8.290 nan 0.000 0.503 871 N N 0.520 119.276 118.700 0.093 0.000 2.422 871 N HA 0.152 4.893 4.740 0.003 0.000 0.181 871 N C 1.683 177.226 175.510 0.055 0.000 1.080 871 N CA 1.784 54.854 53.050 0.034 0.000 0.893 871 N CB -0.025 38.442 38.487 -0.033 0.000 0.973 871 N HN 0.599 nan 8.380 nan 0.000 0.456 872 Q N -1.459 118.424 119.800 0.139 0.000 2.210 872 Q HA 0.317 4.658 4.340 0.003 0.000 0.252 872 Q C 1.525 177.820 176.000 0.493 0.000 0.811 872 Q CA 0.267 56.189 55.803 0.198 0.000 0.953 872 Q CB 0.178 28.847 28.738 -0.115 0.000 1.136 872 Q HN 0.313 nan 8.270 nan 0.000 0.491 873 A N 2.062 125.218 122.820 0.559 0.000 1.927 873 A HA -0.153 4.168 4.320 0.003 0.000 0.220 873 A C -0.684 177.019 177.584 0.198 0.000 1.185 873 A CA 1.536 53.775 52.037 0.336 0.000 0.639 873 A CB -1.403 17.722 19.000 0.209 0.000 0.820 873 A HN 0.367 nan 8.150 nan 0.000 0.451 874 P HA -0.032 nan 4.420 nan 0.000 0.225 874 P C 1.431 178.833 177.300 0.170 0.000 1.148 874 P CA 1.419 64.608 63.100 0.149 0.000 0.779 874 P CB 0.056 31.828 31.700 0.121 0.000 0.780 875 S N -0.720 115.094 115.700 0.190 0.000 2.362 875 S HA 0.005 4.477 4.470 0.003 0.000 0.221 875 S C 1.750 176.440 174.600 0.150 0.000 1.032 875 S CA 0.920 59.219 58.200 0.164 0.000 0.973 875 S CB -0.873 62.437 63.200 0.183 0.000 0.849 875 S HN 0.146 nan 8.310 nan 0.000 0.465 876 L N -0.190 121.139 121.223 0.177 0.000 2.240 876 L HA -0.009 4.333 4.340 0.003 0.000 0.211 876 L C 2.301 179.197 176.870 0.044 0.000 1.106 876 L CA 0.984 55.878 54.840 0.091 0.000 0.793 876 L CB -0.497 41.582 42.059 0.034 0.000 0.927 876 L HN 0.292 nan 8.230 nan 0.000 0.446 877 Y N 1.445 121.710 120.300 -0.059 0.000 2.049 877 Y HA -0.320 4.231 4.550 0.003 0.000 0.277 877 Y C 2.591 178.450 175.900 -0.068 0.000 1.143 877 Y CA 1.557 59.602 58.100 -0.092 0.000 1.115 877 Y CB -0.479 37.925 38.460 -0.092 0.000 0.975 877 Y HN 0.094 nan 8.280 nan 0.000 0.487 878 A N 0.201 123.034 122.820 0.022 0.000 2.093 878 A HA -0.214 4.108 4.320 0.003 0.000 0.222 878 A C 2.265 179.778 177.584 -0.118 0.000 1.162 878 A CA 1.960 53.957 52.037 -0.067 0.000 0.655 878 A CB -1.252 17.764 19.000 0.027 0.000 0.805 878 A HN 0.646 nan 8.150 nan 0.000 0.461 879 I N -0.758 119.758 120.570 -0.090 0.000 2.133 879 I HA -0.199 3.972 4.170 0.003 0.000 0.238 879 I C 2.566 178.607 176.117 -0.127 0.000 1.074 879 I CA 1.492 62.742 61.300 -0.082 0.000 1.342 879 I CB -0.544 37.430 38.000 -0.044 0.000 1.053 879 I HN 0.213 nan 8.210 nan 0.000 0.404 880 S N 1.075 116.669 115.700 -0.178 0.000 2.440 880 S HA -0.183 4.289 4.470 0.003 0.000 0.240 880 S C 1.739 176.226 174.600 -0.189 0.000 1.014 880 S CA 1.006 59.094 58.200 -0.187 0.000 0.980 880 S CB -0.504 62.547 63.200 -0.247 0.000 0.775 880 S HN 0.323 nan 8.310 nan 0.000 0.499 881 L N 0.660 121.738 121.223 -0.241 0.000 2.700 881 L HA 0.183 4.524 4.340 0.003 0.000 0.240 881 L C 1.005 177.812 176.870 -0.105 0.000 1.162 881 L CA 1.172 55.898 54.840 -0.191 0.000 0.874 881 L CB -0.369 41.556 42.059 -0.223 0.000 1.001 881 L HN 0.296 nan 8.230 nan 0.000 0.447 882 I N -3.496 117.029 120.570 -0.075 0.000 3.650 882 I HA 0.011 4.182 4.170 0.003 0.000 0.261 882 I C 1.662 177.795 176.117 0.027 0.000 1.154 882 I CA 0.182 61.467 61.300 -0.026 0.000 1.418 882 I CB 0.085 38.054 38.000 -0.051 0.000 1.539 882 I HN -0.230 nan 8.210 nan 0.000 0.449 883 V N 1.220 121.123 119.914 -0.018 0.000 3.078 883 V HA -0.098 4.023 4.120 0.003 0.000 0.265 883 V C 1.902 177.987 176.094 -0.014 0.000 1.122 883 V CA 1.099 63.389 62.300 -0.016 0.000 1.141 883 V CB -0.078 31.721 31.823 -0.041 0.000 0.735 883 V HN 0.240 nan 8.190 nan 0.000 0.498 884 V N -1.468 118.437 119.914 -0.014 0.000 2.806 884 V HA 0.023 4.145 4.120 0.003 0.000 0.239 884 V C 1.877 177.968 176.094 -0.004 0.000 1.113 884 V CA 1.043 63.326 62.300 -0.029 0.000 1.137 884 V CB -0.407 31.377 31.823 -0.064 0.000 0.865 884 V HN 0.497 nan 8.190 nan 0.000 0.482 885 F N 1.013 120.895 119.950 -0.113 0.000 2.126 885 F HA -0.247 4.281 4.527 0.003 0.000 0.299 885 F C 2.037 177.798 175.800 -0.066 0.000 1.096 885 F CA 2.070 60.000 58.000 -0.116 0.000 1.255 885 F CB -0.173 38.737 39.000 -0.151 0.000 0.997 885 F HN 0.135 nan 8.300 nan 0.000 0.479 886 L N -0.058 121.288 121.223 0.205 0.000 2.017 886 L HA -0.213 4.129 4.340 0.003 0.000 0.208 886 L C 2.550 179.400 176.870 -0.032 0.000 1.073 886 L CA 1.902 56.822 54.840 0.132 0.000 0.745 886 L CB -1.207 40.925 42.059 0.121 0.000 0.894 886 L HN 0.446 nan 8.230 nan 0.000 0.432 887 C N -0.861 118.409 119.300 -0.051 0.000 2.453 887 C HA -0.084 4.378 4.460 0.003 0.000 0.277 887 C C 2.694 177.602 174.990 -0.137 0.000 1.262 887 C CA 0.624 59.593 59.018 -0.083 0.000 1.718 887 C CB -0.925 26.780 27.740 -0.059 0.000 2.031 887 C HN 0.570 nan 8.230 nan 0.000 0.480 888 L N 0.880 122.004 121.223 -0.165 0.000 2.191 888 L HA -0.092 4.249 4.340 0.003 0.000 0.212 888 L C 2.723 179.429 176.870 -0.274 0.000 1.103 888 L CA 1.356 56.073 54.840 -0.206 0.000 0.769 888 L CB -0.717 41.218 42.059 -0.207 0.000 0.908 888 L HN 0.367 nan 8.230 nan 0.000 0.438 889 A N 0.147 122.758 122.820 -0.349 0.000 2.119 889 A HA 0.028 4.350 4.320 0.003 0.000 0.217 889 A C 2.450 179.847 177.584 -0.310 0.000 1.153 889 A CA 1.168 52.983 52.037 -0.370 0.000 0.692 889 A CB -0.395 18.378 19.000 -0.378 0.000 0.799 889 A HN 0.370 nan 8.150 nan 0.000 0.458 890 A N -0.292 122.372 122.820 -0.261 0.000 2.172 890 A HA 0.236 4.557 4.320 0.003 0.000 0.216 890 A C 0.974 178.368 177.584 -0.317 0.000 1.154 890 A CA 0.059 51.930 52.037 -0.276 0.000 0.701 890 A CB -0.555 18.308 19.000 -0.227 0.000 0.789 890 A HN 0.479 nan 8.150 nan 0.000 0.465 891 L N 0.231 121.296 121.223 -0.264 0.000 2.525 891 L HA 0.020 4.362 4.340 0.003 0.000 0.278 891 L C -0.189 176.553 176.870 -0.215 0.000 1.218 891 L CA -0.607 54.094 54.840 -0.231 0.000 0.878 891 L CB -0.194 41.777 42.059 -0.147 0.000 1.127 891 L HN 0.357 nan 8.230 nan 0.000 0.492 892 Y N 2.821 123.037 120.300 -0.139 0.000 2.954 892 Y HA -0.228 4.323 4.550 0.003 0.000 0.351 892 Y C 1.342 177.161 175.900 -0.135 0.000 1.282 892 Y CA 1.185 59.206 58.100 -0.132 0.000 1.614 892 Y CB -0.357 38.039 38.460 -0.106 0.000 1.183 892 Y HN 0.720 nan 8.280 nan 0.000 0.566 893 E N 0.524 120.701 120.200 -0.039 0.000 3.673 893 E HA -0.383 3.968 4.350 0.003 0.000 0.309 893 E C 1.468 178.001 176.600 -0.112 0.000 0.819 893 E CA 0.527 56.874 56.400 -0.088 0.000 1.111 893 E CB -0.865 28.807 29.700 -0.047 0.000 1.561 893 E HN 0.862 nan 8.360 nan 0.000 0.450 894 S N -0.280 115.325 115.700 -0.159 0.000 2.402 894 S HA -0.277 4.194 4.470 0.003 0.000 0.281 894 S C 0.768 175.402 174.600 0.056 0.000 1.097 894 S CA 1.608 59.732 58.200 -0.127 0.000 1.368 894 S CB -1.130 61.910 63.200 -0.266 0.000 1.255 894 S HN 0.391 nan 8.310 nan 0.000 0.450 895 W N 2.412 123.665 121.300 -0.078 0.000 2.711 895 W HA 0.208 4.870 4.660 0.003 0.000 0.323 895 W C 1.702 178.275 176.519 0.091 0.000 1.012 895 W CA 0.545 57.917 57.345 0.045 0.000 1.223 895 W CB -1.409 28.109 29.460 0.097 0.000 1.120 895 W HN 0.806 nan 8.180 nan 0.000 0.550 896 S N -0.438 115.536 115.700 0.457 0.000 1.762 896 S HA -0.277 4.195 4.470 0.003 0.000 0.244 896 S C 0.968 175.824 174.600 0.426 0.000 0.965 896 S CA 1.055 59.502 58.200 0.411 0.000 1.348 896 S CB -1.350 62.015 63.200 0.274 0.000 1.653 896 S HN 0.525 nan 8.310 nan 0.000 0.536 897 I N 1.827 122.604 120.570 0.345 0.000 2.927 897 I HA 0.056 4.228 4.170 0.003 0.000 0.268 897 I C -1.158 175.121 176.117 0.270 0.000 1.153 897 I CA 0.026 61.521 61.300 0.324 0.000 1.459 897 I CB -0.741 37.401 38.000 0.235 0.000 1.149 897 I HN 0.176 nan 8.210 nan 0.000 0.443 898 P HA -0.217 nan 4.420 nan 0.000 0.216 898 P C 1.500 178.780 177.300 -0.033 0.000 1.154 898 P CA 1.735 64.742 63.100 -0.155 0.000 0.865 898 P CB -0.194 31.128 31.700 -0.630 0.000 0.789 899 F N 0.501 120.543 119.950 0.153 0.000 2.184 899 F HA -0.261 4.267 4.527 0.003 0.000 0.301 899 F C 2.589 178.404 175.800 0.024 0.000 1.076 899 F CA 1.851 59.920 58.000 0.114 0.000 1.295 899 F CB -1.641 37.415 39.000 0.094 0.000 1.026 899 F HN 0.025 nan 8.300 nan 0.000 0.494 900 S N 0.130 115.988 115.700 0.263 0.000 2.348 900 S HA -0.180 4.292 4.470 0.003 0.000 0.221 900 S C 2.060 176.772 174.600 0.186 0.000 1.033 900 S CA 1.562 59.904 58.200 0.237 0.000 1.010 900 S CB -1.237 62.184 63.200 0.368 0.000 0.891 900 S HN 0.161 nan 8.310 nan 0.000 0.442 901 V N 2.059 122.042 119.914 0.116 0.000 2.255 901 V HA -0.192 3.930 4.120 0.003 0.000 0.247 901 V C 2.662 178.794 176.094 0.063 0.000 1.051 901 V CA 2.259 64.603 62.300 0.074 0.000 1.018 901 V CB -1.036 30.788 31.823 0.001 0.000 0.641 901 V HN 0.428 nan 8.190 nan 0.000 0.445 902 M N -0.045 119.579 119.600 0.040 0.000 2.226 902 M HA -0.259 4.223 4.480 0.003 0.000 0.257 902 M C 2.023 178.342 176.300 0.033 0.000 1.070 902 M CA 2.096 57.417 55.300 0.035 0.000 1.087 902 M CB -0.872 31.767 32.600 0.064 0.000 1.278 902 M HN 0.212 nan 8.290 nan 0.000 0.426 903 L N -1.160 120.042 121.223 -0.034 0.000 2.051 903 L HA -0.288 4.054 4.340 0.003 0.000 0.214 903 L C 2.219 179.100 176.870 0.018 0.000 1.076 903 L CA 1.330 56.051 54.840 -0.199 0.000 0.758 903 L CB -0.995 40.423 42.059 -1.068 0.000 0.890 903 L HN 0.237 nan 8.230 nan 0.000 0.433 904 V N -0.569 119.462 119.914 0.194 0.000 2.546 904 V HA -0.289 3.833 4.120 0.003 0.000 0.254 904 V C 2.486 178.690 176.094 0.184 0.000 1.076 904 V CA 1.495 63.991 62.300 0.326 0.000 1.087 904 V CB -0.500 31.465 31.823 0.238 0.000 0.674 904 V HN 0.232 nan 8.190 nan 0.000 0.470 905 V N 0.277 120.261 119.914 0.116 0.000 2.220 905 V HA -0.265 3.857 4.120 0.003 0.000 0.250 905 V C 0.392 176.530 176.094 0.073 0.000 1.056 905 V CA 3.011 65.351 62.300 0.067 0.000 1.016 905 V CB -2.194 29.653 31.823 0.040 0.000 0.639 905 V HN 0.539 nan 8.190 nan 0.000 0.446 906 P HA -0.196 nan 4.420 nan 0.000 0.218 906 P C 1.737 179.069 177.300 0.053 0.000 1.150 906 P CA 1.578 64.718 63.100 0.066 0.000 0.841 906 P CB -0.134 31.619 31.700 0.089 0.000 0.784 907 L N -0.987 120.290 121.223 0.090 0.000 1.915 907 L HA -0.153 4.189 4.340 0.003 0.000 0.225 907 L C 2.695 179.567 176.870 0.003 0.000 1.084 907 L CA 2.458 57.313 54.840 0.024 0.000 0.788 907 L CB -2.194 39.862 42.059 -0.005 0.000 0.892 907 L HN 0.088 nan 8.230 nan 0.000 0.434 908 G N -0.353 108.447 108.800 -0.001 0.000 2.562 908 G HA2 -0.216 3.745 3.960 0.003 0.000 0.223 908 G HA3 -0.216 3.745 3.960 0.003 0.000 0.223 908 G C 1.551 176.434 174.900 -0.029 0.000 1.102 908 G CA 1.186 46.273 45.100 -0.022 0.000 0.742 908 G HN 0.252 nan 8.290 nan 0.000 0.587 909 V N 0.958 120.854 119.914 -0.029 0.000 2.270 909 V HA -0.129 3.992 4.120 0.003 0.000 0.245 909 V C 2.503 178.586 176.094 -0.018 0.000 1.043 909 V CA 1.476 63.747 62.300 -0.049 0.000 1.014 909 V CB -0.466 31.309 31.823 -0.079 0.000 0.645 909 V HN 0.414 nan 8.190 nan 0.000 0.447 910 I N 1.327 121.889 120.570 -0.012 0.000 2.916 910 I HA -0.013 4.159 4.170 0.003 0.000 0.267 910 I C 1.876 177.988 176.117 -0.008 0.000 1.263 910 I CA 1.277 62.576 61.300 -0.001 0.000 1.471 910 I CB -0.785 37.215 38.000 -0.000 0.000 1.089 910 I HN 0.153 nan 8.210 nan 0.000 0.468 911 G N 0.035 108.831 108.800 -0.007 0.000 2.473 911 G HA2 -0.073 3.889 3.960 0.003 0.000 0.212 911 G HA3 -0.073 3.889 3.960 0.003 0.000 0.212 911 G C 1.725 176.630 174.900 0.009 0.000 1.211 911 G CA 0.529 45.622 45.100 -0.012 0.000 0.813 911 G HN 0.507 nan 8.290 nan 0.000 0.541 912 A N 0.476 123.321 122.820 0.041 0.000 1.958 912 A HA -0.050 4.272 4.320 0.003 0.000 0.221 912 A C 2.441 180.137 177.584 0.186 0.000 1.178 912 A CA 1.551 53.664 52.037 0.128 0.000 0.642 912 A CB -0.533 18.547 19.000 0.132 0.000 0.816 912 A HN 0.367 nan 8.150 nan 0.000 0.453 913 L N -0.951 120.363 121.223 0.151 0.000 1.948 913 L HA -0.209 4.133 4.340 0.003 0.000 0.212 913 L C 2.627 179.495 176.870 -0.004 0.000 1.074 913 L CA 1.626 56.546 54.840 0.132 0.000 0.753 913 L CB -0.603 41.527 42.059 0.117 0.000 0.888 913 L HN 0.411 nan 8.230 nan 0.000 0.432 914 L N -0.547 120.631 121.223 -0.075 0.000 2.085 914 L HA -0.356 3.986 4.340 0.003 0.000 0.218 914 L C 2.784 179.511 176.870 -0.238 0.000 1.080 914 L CA 1.466 56.162 54.840 -0.240 0.000 0.776 914 L CB -0.811 41.053 42.059 -0.325 0.000 0.891 914 L HN 0.406 nan 8.230 nan 0.000 0.437 915 A N -0.064 122.690 122.820 -0.109 0.000 1.849 915 A HA -0.265 4.057 4.320 0.003 0.000 0.217 915 A C 2.454 180.030 177.584 -0.012 0.000 1.202 915 A CA 2.253 54.270 52.037 -0.033 0.000 0.629 915 A CB -0.983 18.032 19.000 0.025 0.000 0.834 915 A HN 0.448 nan 8.150 nan 0.000 0.447 916 A N -1.414 121.366 122.820 -0.066 0.000 2.067 916 A HA 0.022 4.344 4.320 0.003 0.000 0.219 916 A C 2.191 179.706 177.584 -0.115 0.000 1.158 916 A CA 2.123 54.054 52.037 -0.177 0.000 0.661 916 A CB -1.032 17.637 19.000 -0.551 0.000 0.801 916 A HN 0.523 nan 8.150 nan 0.000 0.452 917 T N -0.822 113.696 114.554 -0.059 0.000 2.668 917 T HA -0.055 4.297 4.350 0.003 0.000 0.258 917 T C 1.668 176.470 174.700 0.169 0.000 1.051 917 T CA 1.235 63.342 62.100 0.012 0.000 1.155 917 T CB -0.546 68.325 68.868 0.005 0.000 0.864 917 T HN 0.476 nan 8.240 nan 0.000 0.413 918 F N 1.237 121.174 119.950 -0.022 0.000 2.065 918 F HA -0.160 4.369 4.527 0.003 0.000 0.298 918 F C 2.789 178.579 175.800 -0.016 0.000 1.112 918 F CA 0.802 58.797 58.000 -0.008 0.000 1.212 918 F CB -0.120 38.885 39.000 0.007 0.000 0.975 918 F HN -0.016 nan 8.300 nan 0.000 0.476 919 R N 1.195 121.808 120.500 0.189 0.000 2.397 919 R HA -0.054 4.288 4.340 0.003 0.000 0.213 919 R C 1.093 177.414 176.300 0.036 0.000 1.102 919 R CA 0.790 56.939 56.100 0.082 0.000 1.040 919 R CB -1.115 29.215 30.300 0.049 0.000 0.844 919 R HN 0.358 nan 8.270 nan 0.000 0.478 920 G N -0.192 108.631 108.800 0.037 0.000 2.249 920 G HA2 -0.279 3.682 3.960 0.003 0.000 0.273 920 G HA3 -0.279 3.682 3.960 0.003 0.000 0.273 920 G C -0.119 174.767 174.900 -0.024 0.000 1.036 920 G CA 0.565 45.668 45.100 0.006 0.000 0.824 920 G HN 0.278 nan 8.290 nan 0.000 0.504 921 L N 0.170 121.357 121.223 -0.059 0.000 2.375 921 L HA 0.663 5.005 4.340 0.003 0.000 0.268 921 L C 1.276 178.047 176.870 -0.165 0.000 1.058 921 L CA -0.294 54.483 54.840 -0.105 0.000 0.803 921 L CB 1.423 43.398 42.059 -0.141 0.000 1.212 921 L HN 0.362 nan 8.230 nan 0.000 0.451 922 T N -2.470 111.994 114.554 -0.149 0.000 2.944 922 T HA 0.172 4.524 4.350 0.003 0.000 0.284 922 T C 0.154 174.729 174.700 -0.209 0.000 1.010 922 T CA -0.809 61.204 62.100 -0.144 0.000 1.025 922 T CB 1.332 70.169 68.868 -0.052 0.000 1.079 922 T HN 0.485 nan 8.240 nan 0.000 0.516 923 N N 1.771 120.404 118.700 -0.111 0.000 2.671 923 N HA 0.067 4.809 4.740 0.003 0.000 0.274 923 N C -1.008 174.622 175.510 0.201 0.000 1.188 923 N CA -0.040 53.080 53.050 0.117 0.000 1.065 923 N CB -0.508 38.081 38.487 0.169 0.000 1.415 923 N HN 0.549 nan 8.380 nan 0.000 0.511 924 D N 0.151 120.684 120.400 0.221 0.000 2.423 924 D HA 0.085 4.727 4.640 0.003 0.000 0.255 924 D C 1.730 178.132 176.300 0.170 0.000 1.174 924 D CA -0.689 53.416 54.000 0.175 0.000 1.008 924 D CB 1.280 42.197 40.800 0.195 0.000 1.101 924 D HN -0.044 nan 8.370 nan 0.000 0.516 925 V N -0.064 119.844 119.914 -0.009 0.000 2.255 925 V HA -0.296 3.826 4.120 0.003 0.000 0.247 925 V C 1.637 177.637 176.094 -0.156 0.000 1.051 925 V CA 1.704 63.931 62.300 -0.120 0.000 1.018 925 V CB -0.765 30.808 31.823 -0.415 0.000 0.641 925 V HN 0.590 nan 8.190 nan 0.000 0.445 926 Y N -1.062 119.223 120.300 -0.024 0.000 2.207 926 Y HA -0.272 4.280 4.550 0.003 0.000 0.287 926 Y C 2.234 178.168 175.900 0.056 0.000 1.156 926 Y CA 2.142 60.270 58.100 0.047 0.000 1.182 926 Y CB -0.716 37.857 38.460 0.189 0.000 0.979 926 Y HN 0.285 nan 8.280 nan 0.000 0.521 927 F N 1.301 121.327 119.950 0.125 0.000 2.084 927 F HA -0.215 4.313 4.527 0.003 0.000 0.296 927 F C 2.552 178.345 175.800 -0.012 0.000 1.111 927 F CA 1.772 59.806 58.000 0.056 0.000 1.224 927 F CB -0.821 38.211 39.000 0.054 0.000 0.991 927 F HN 0.011 nan 8.300 nan 0.000 0.471 928 Q N 0.605 120.334 119.800 -0.119 0.000 2.268 928 Q HA -0.158 4.184 4.340 0.003 0.000 0.210 928 Q C 1.839 177.597 176.000 -0.402 0.000 0.988 928 Q CA 2.150 57.785 55.803 -0.281 0.000 0.883 928 Q CB -0.776 27.892 28.738 -0.117 0.000 0.911 928 Q HN 0.403 nan 8.270 nan 0.000 0.430 929 V N -0.519 119.208 119.914 -0.312 0.000 2.255 929 V HA -0.104 4.017 4.120 0.003 0.000 0.243 929 V C 2.153 178.131 176.094 -0.194 0.000 1.038 929 V CA 1.589 63.739 62.300 -0.250 0.000 1.008 929 V CB -1.515 30.266 31.823 -0.070 0.000 0.645 929 V HN 0.578 nan 8.190 nan 0.000 0.449 930 G N 1.799 110.508 108.800 -0.151 0.000 2.875 930 G HA2 -0.386 3.575 3.960 0.003 0.000 0.220 930 G HA3 -0.386 3.575 3.960 0.003 0.000 0.220 930 G C 1.526 176.291 174.900 -0.225 0.000 1.293 930 G CA 2.135 47.152 45.100 -0.138 0.000 0.789 930 G HN 0.643 nan 8.290 nan 0.000 0.677 931 L N -0.766 120.217 121.223 -0.400 0.000 2.085 931 L HA -0.220 4.122 4.340 0.003 0.000 0.218 931 L C 2.872 179.594 176.870 -0.248 0.000 1.080 931 L CA 1.840 56.487 54.840 -0.322 0.000 0.776 931 L CB -1.003 40.804 42.059 -0.420 0.000 0.891 931 L HN 0.272 nan 8.230 nan 0.000 0.437 932 L N -0.010 121.038 121.223 -0.292 0.000 1.971 932 L HA -0.228 4.114 4.340 0.003 0.000 0.215 932 L C 2.824 179.525 176.870 -0.281 0.000 1.072 932 L CA 2.276 56.914 54.840 -0.336 0.000 0.758 932 L CB -1.149 40.626 42.059 -0.474 0.000 0.889 932 L HN 0.385 nan 8.230 nan 0.000 0.433 933 T N -1.019 113.447 114.554 -0.146 0.000 2.536 933 T HA -0.303 4.048 4.350 0.003 0.000 0.263 933 T C 1.786 176.466 174.700 -0.033 0.000 1.115 933 T CA 2.348 64.485 62.100 0.062 0.000 1.180 933 T CB -0.710 68.244 68.868 0.143 0.000 0.864 933 T HN 0.386 nan 8.240 nan 0.000 0.419 934 T N 2.177 116.666 114.554 -0.109 0.000 2.592 934 T HA -0.151 4.200 4.350 0.003 0.000 0.267 934 T C 1.974 176.609 174.700 -0.108 0.000 1.060 934 T CA 1.761 63.773 62.100 -0.146 0.000 1.167 934 T CB -0.724 68.061 68.868 -0.138 0.000 0.863 934 T HN 0.348 nan 8.240 nan 0.000 0.431 935 I N 1.061 121.565 120.570 -0.109 0.000 2.248 935 I HA -0.205 3.967 4.170 0.003 0.000 0.248 935 I C 2.811 178.889 176.117 -0.064 0.000 1.107 935 I CA 1.363 62.613 61.300 -0.083 0.000 1.373 935 I CB -0.822 37.120 38.000 -0.096 0.000 1.055 935 I HN 0.359 nan 8.210 nan 0.000 0.418 936 G N 1.041 109.805 108.800 -0.060 0.000 2.421 936 G HA2 -0.201 3.761 3.960 0.003 0.000 0.216 936 G HA3 -0.201 3.761 3.960 0.003 0.000 0.216 936 G C 1.689 176.600 174.900 0.017 0.000 1.171 936 G CA 0.564 45.677 45.100 0.021 0.000 0.775 936 G HN 0.275 nan 8.290 nan 0.000 0.543 937 L N 0.783 121.994 121.223 -0.020 0.000 2.027 937 L HA -0.081 4.261 4.340 0.003 0.000 0.206 937 L C 3.259 180.107 176.870 -0.037 0.000 1.074 937 L CA 1.246 56.058 54.840 -0.048 0.000 0.745 937 L CB -0.439 41.531 42.059 -0.149 0.000 0.898 937 L HN 0.190 nan 8.230 nan 0.000 0.433 938 S N 0.230 115.905 115.700 -0.042 0.000 2.380 938 S HA -0.273 4.199 4.470 0.003 0.000 0.229 938 S C 2.124 176.729 174.600 0.009 0.000 1.043 938 S CA 1.454 59.646 58.200 -0.013 0.000 1.038 938 S CB -0.436 62.758 63.200 -0.009 0.000 0.872 938 S HN 0.534 nan 8.310 nan 0.000 0.456 939 A N 1.672 124.491 122.820 -0.000 0.000 1.872 939 A HA -0.017 4.305 4.320 0.003 0.000 0.214 939 A C 1.912 179.499 177.584 0.005 0.000 1.187 939 A CA 1.748 53.787 52.037 0.004 0.000 0.614 939 A CB -0.599 18.396 19.000 -0.008 0.000 0.826 939 A HN 0.348 nan 8.150 nan 0.000 0.442 940 K N 0.960 121.364 120.400 0.007 0.000 1.974 940 K HA -0.248 4.074 4.320 0.003 0.000 0.232 940 K C 1.725 178.332 176.600 0.013 0.000 1.027 940 K CA 2.400 58.694 56.287 0.011 0.000 1.049 940 K CB -0.658 31.852 32.500 0.016 0.000 0.732 940 K HN 0.505 nan 8.250 nan 0.000 0.452 941 N N 0.436 119.144 118.700 0.013 0.000 2.049 941 N HA -0.293 4.448 4.740 0.003 0.000 0.198 941 N C 1.760 177.285 175.510 0.026 0.000 1.030 941 N CA 1.946 55.008 53.050 0.020 0.000 0.870 941 N CB -0.916 37.575 38.487 0.007 0.000 1.045 941 N HN 0.457 nan 8.380 nan 0.000 0.434 942 A N 1.863 124.699 122.820 0.026 0.000 1.896 942 A HA -0.208 4.113 4.320 0.003 0.000 0.220 942 A C 2.410 179.992 177.584 -0.003 0.000 1.206 942 A CA 1.663 53.718 52.037 0.031 0.000 0.647 942 A CB -1.000 18.033 19.000 0.055 0.000 0.828 942 A HN 0.284 nan 8.150 nan 0.000 0.455 943 I N -0.354 120.207 120.570 -0.016 0.000 2.053 943 I HA -0.338 3.833 4.170 0.003 0.000 0.236 943 I C 2.203 178.300 176.117 -0.035 0.000 1.038 943 I CA 1.824 63.094 61.300 -0.051 0.000 1.304 943 I CB -0.619 37.354 38.000 -0.045 0.000 1.023 943 I HN 0.309 nan 8.210 nan 0.000 0.395 944 L N 0.268 121.507 121.223 0.027 0.000 2.563 944 L HA -0.236 4.106 4.340 0.003 0.000 0.230 944 L C 2.052 179.080 176.870 0.264 0.000 1.162 944 L CA 1.148 56.075 54.840 0.144 0.000 0.812 944 L CB -0.584 41.581 42.059 0.175 0.000 0.935 944 L HN 0.402 nan 8.230 nan 0.000 0.451 945 I N -2.245 118.392 120.570 0.112 0.000 3.136 945 I HA -0.077 4.095 4.170 0.003 0.000 0.262 945 I C 2.124 178.237 176.117 -0.007 0.000 1.132 945 I CA 0.242 61.604 61.300 0.102 0.000 1.450 945 I CB -0.091 37.940 38.000 0.050 0.000 1.315 945 I HN -0.125 nan 8.210 nan 0.000 0.460 946 V N 1.155 120.955 119.914 -0.189 0.000 2.720 946 V HA -0.206 3.915 4.120 0.003 0.000 0.256 946 V C 2.292 178.140 176.094 -0.410 0.000 1.082 946 V CA 1.669 63.620 62.300 -0.582 0.000 1.101 946 V CB -0.870 30.545 31.823 -0.680 0.000 0.693 946 V HN 0.387 nan 8.190 nan 0.000 0.479 947 E N 1.199 121.272 120.200 -0.211 0.000 1.996 947 E HA -0.182 4.169 4.350 0.003 0.000 0.197 947 E C 1.848 178.329 176.600 -0.198 0.000 1.002 947 E CA 1.812 58.068 56.400 -0.241 0.000 0.840 947 E CB -0.558 28.940 29.700 -0.338 0.000 0.786 947 E HN 0.460 nan 8.360 nan 0.000 0.469 948 F N 0.882 120.794 119.950 -0.064 0.000 2.184 948 F HA -0.234 4.295 4.527 0.003 0.000 0.301 948 F C 2.317 178.109 175.800 -0.013 0.000 1.076 948 F CA 1.111 59.093 58.000 -0.030 0.000 1.295 948 F CB -0.904 38.086 39.000 -0.018 0.000 1.026 948 F HN 0.185 nan 8.300 nan 0.000 0.494 949 A N 0.087 122.989 122.820 0.136 0.000 1.865 949 A HA -0.263 4.059 4.320 0.003 0.000 0.217 949 A C 2.287 179.970 177.584 0.166 0.000 1.191 949 A CA 2.053 54.187 52.037 0.162 0.000 0.623 949 A CB -0.812 18.244 19.000 0.093 0.000 0.826 949 A HN 0.376 nan 8.150 nan 0.000 0.444 950 K N -0.352 120.065 120.400 0.028 0.000 1.985 950 K HA -0.235 4.086 4.320 0.003 0.000 0.210 950 K C 1.598 178.217 176.600 0.033 0.000 1.047 950 K CA 1.949 58.274 56.287 0.063 0.000 0.932 950 K CB -0.455 32.027 32.500 -0.031 0.000 0.716 950 K HN 0.388 nan 8.250 nan 0.000 0.439 951 D N 1.009 121.395 120.400 -0.023 0.000 2.380 951 D HA -0.257 4.385 4.640 0.003 0.000 0.198 951 D C 1.934 178.243 176.300 0.016 0.000 1.027 951 D CA 1.828 55.808 54.000 -0.032 0.000 0.880 951 D CB -0.442 40.324 40.800 -0.058 0.000 1.064 951 D HN 0.080 nan 8.370 nan 0.000 0.465 952 L N 0.008 121.267 121.223 0.060 0.000 2.040 952 L HA -0.310 4.032 4.340 0.003 0.000 0.228 952 L C 2.477 179.375 176.870 0.047 0.000 1.092 952 L CA 1.825 56.703 54.840 0.063 0.000 0.805 952 L CB -0.874 41.239 42.059 0.089 0.000 0.905 952 L HN 0.351 nan 8.230 nan 0.000 0.443 953 M N -1.278 118.361 119.600 0.065 0.000 2.337 953 M HA -0.229 4.252 4.480 0.003 0.000 0.261 953 M C 1.276 177.591 176.300 0.026 0.000 1.067 953 M CA 1.566 56.898 55.300 0.053 0.000 1.074 953 M CB -0.346 32.303 32.600 0.083 0.000 1.395 953 M HN 0.396 nan 8.290 nan 0.000 0.431 954 D N -1.291 119.114 120.400 0.009 0.000 2.932 954 D HA -0.017 4.625 4.640 0.003 0.000 0.294 954 D C 1.599 177.879 176.300 -0.033 0.000 1.119 954 D CA 0.355 54.343 54.000 -0.019 0.000 0.980 954 D CB -0.472 40.303 40.800 -0.042 0.000 1.361 954 D HN 0.032 nan 8.370 nan 0.000 0.466 955 K N 1.862 122.238 120.400 -0.040 0.000 2.189 955 K HA -0.217 4.105 4.320 0.003 0.000 0.207 955 K C 0.807 177.393 176.600 -0.024 0.000 1.046 955 K CA 1.654 57.915 56.287 -0.044 0.000 0.928 955 K CB 0.067 32.548 32.500 -0.032 0.000 0.720 955 K HN 0.535 nan 8.250 nan 0.000 0.458 956 E N -3.362 116.832 120.200 -0.009 0.000 2.233 956 E HA 0.382 4.734 4.350 0.003 0.000 0.223 956 E C -0.244 176.358 176.600 0.003 0.000 1.048 956 E CA -0.775 55.624 56.400 -0.003 0.000 0.883 956 E CB -0.263 29.440 29.700 0.005 0.000 1.925 956 E HN -0.021 nan 8.360 nan 0.000 0.460 957 G N 0.997 109.800 108.800 0.005 0.000 2.460 957 G HA2 0.026 3.988 3.960 0.003 0.000 0.230 957 G HA3 0.026 3.988 3.960 0.003 0.000 0.230 957 G C -0.135 174.772 174.900 0.012 0.000 1.248 957 G CA 0.451 45.555 45.100 0.007 0.000 0.863 957 G HN 0.590 nan 8.290 nan 0.000 0.549 958 K N 0.937 121.344 120.400 0.012 0.000 2.368 958 K HA 0.517 4.839 4.320 0.003 0.000 0.282 958 K C 0.217 176.826 176.600 0.015 0.000 1.035 958 K CA -0.068 56.229 56.287 0.016 0.000 0.973 958 K CB 1.233 33.743 32.500 0.017 0.000 0.957 958 K HN 0.608 nan 8.250 nan 0.000 0.474 959 G N 3.932 112.744 108.800 0.020 0.000 3.743 959 G HA2 0.151 4.112 3.960 0.003 0.000 0.289 959 G HA3 0.151 4.112 3.960 0.003 0.000 0.289 959 G C -0.352 174.557 174.900 0.016 0.000 2.097 959 G CA -0.621 44.487 45.100 0.014 0.000 0.624 959 G HN 0.590 nan 8.290 nan 0.000 0.402 960 L N 2.189 123.414 121.223 0.003 0.000 1.884 960 L HA 0.092 4.433 4.340 0.003 0.000 0.236 960 L C 2.825 179.689 176.870 -0.009 0.000 1.088 960 L CA 1.673 56.505 54.840 -0.013 0.000 0.841 960 L CB -0.646 41.384 42.059 -0.050 0.000 0.900 960 L HN 0.489 nan 8.230 nan 0.000 0.427 961 I N -0.012 120.538 120.570 -0.033 0.000 2.210 961 I HA -0.425 3.747 4.170 0.003 0.000 0.249 961 I C 2.427 178.529 176.117 -0.024 0.000 1.047 961 I CA 2.237 63.516 61.300 -0.035 0.000 1.323 961 I CB -0.736 37.238 38.000 -0.044 0.000 1.017 961 I HN 0.703 nan 8.210 nan 0.000 0.427 962 E N 1.151 121.341 120.200 -0.017 0.000 2.358 962 E HA -0.052 4.299 4.350 0.003 0.000 0.195 962 E C 2.006 178.606 176.600 -0.001 0.000 1.010 962 E CA 0.887 57.277 56.400 -0.018 0.000 0.856 962 E CB -0.021 29.669 29.700 -0.017 0.000 0.795 962 E HN 0.520 nan 8.360 nan 0.000 0.504 963 A N 1.651 124.484 122.820 0.023 0.000 1.859 963 A HA -0.080 4.241 4.320 0.003 0.000 0.212 963 A C 2.505 180.133 177.584 0.073 0.000 1.238 963 A CA 1.544 53.613 52.037 0.053 0.000 0.613 963 A CB -1.163 17.885 19.000 0.079 0.000 0.904 963 A HN 0.352 nan 8.150 nan 0.000 0.457 964 T N 0.150 114.767 114.554 0.104 0.000 2.624 964 T HA -0.226 4.125 4.350 0.003 0.000 0.268 964 T C 1.855 176.586 174.700 0.052 0.000 1.041 964 T CA 2.029 64.210 62.100 0.135 0.000 1.159 964 T CB -0.775 68.200 68.868 0.177 0.000 0.863 964 T HN 0.288 nan 8.240 nan 0.000 0.434 965 L N 1.042 122.264 121.223 -0.003 0.000 1.951 965 L HA -0.179 4.163 4.340 0.003 0.000 0.222 965 L C 2.892 179.741 176.870 -0.036 0.000 1.078 965 L CA 2.250 57.058 54.840 -0.053 0.000 0.778 965 L CB -1.094 40.914 42.059 -0.085 0.000 0.893 965 L HN 0.385 nan 8.230 nan 0.000 0.436 966 D N -0.215 120.167 120.400 -0.030 0.000 2.242 966 D HA -0.288 4.354 4.640 0.003 0.000 0.190 966 D C 1.951 178.229 176.300 -0.036 0.000 1.012 966 D CA 2.099 56.081 54.000 -0.031 0.000 0.875 966 D CB 0.168 40.961 40.800 -0.011 0.000 0.922 966 D HN 0.411 nan 8.370 nan 0.000 0.448 967 A N 0.218 123.036 122.820 -0.004 0.000 1.832 967 A HA -0.093 4.228 4.320 0.003 0.000 0.214 967 A C 2.601 180.168 177.584 -0.028 0.000 1.204 967 A CA 1.782 53.808 52.037 -0.018 0.000 0.606 967 A CB -0.982 18.072 19.000 0.090 0.000 0.849 967 A HN 0.166 nan 8.150 nan 0.000 0.445 968 V N 0.555 120.483 119.914 0.023 0.000 2.708 968 V HA -0.331 3.790 4.120 0.003 0.000 0.264 968 V C 2.484 178.641 176.094 0.106 0.000 1.124 968 V CA 2.530 64.873 62.300 0.072 0.000 1.138 968 V CB -1.182 30.663 31.823 0.036 0.000 0.706 968 V HN 0.633 nan 8.190 nan 0.000 0.493 969 R N -0.358 120.155 120.500 0.022 0.000 2.033 969 R HA 0.014 4.356 4.340 0.003 0.000 0.219 969 R C 2.457 178.718 176.300 -0.065 0.000 1.223 969 R CA 1.127 57.228 56.100 0.001 0.000 0.971 969 R CB -0.276 30.001 30.300 -0.039 0.000 0.855 969 R HN 0.324 nan 8.270 nan 0.000 0.452 970 M N 0.331 119.859 119.600 -0.120 0.000 2.128 970 M HA -0.259 4.223 4.480 0.003 0.000 0.253 970 M C 2.280 178.455 176.300 -0.208 0.000 1.079 970 M CA 1.810 56.994 55.300 -0.194 0.000 1.082 970 M CB -0.301 32.097 32.600 -0.337 0.000 1.335 970 M HN 0.053 nan 8.290 nan 0.000 0.401 971 R N 0.392 120.766 120.500 -0.211 0.000 2.276 971 R HA 0.023 4.365 4.340 0.003 0.000 0.203 971 R C 1.654 177.914 176.300 -0.066 0.000 1.017 971 R CA 0.529 56.542 56.100 -0.145 0.000 1.010 971 R CB -0.477 29.768 30.300 -0.092 0.000 0.900 971 R HN 0.300 nan 8.270 nan 0.000 0.469 972 L N 0.527 121.704 121.223 -0.076 0.000 2.017 972 L HA -0.065 4.277 4.340 0.003 0.000 0.208 972 L C 2.231 179.118 176.870 0.027 0.000 1.073 972 L CA 1.845 56.613 54.840 -0.120 0.000 0.745 972 L CB -0.549 41.340 42.059 -0.283 0.000 0.894 972 L HN 0.125 nan 8.230 nan 0.000 0.432 973 R N -0.490 120.095 120.500 0.143 0.000 2.113 973 R HA -0.187 4.155 4.340 0.003 0.000 0.244 973 R C -0.460 175.964 176.300 0.207 0.000 1.142 973 R CA 2.212 58.508 56.100 0.326 0.000 0.953 973 R CB -1.383 29.072 30.300 0.258 0.000 0.860 973 R HN 0.357 nan 8.270 nan 0.000 0.438 974 P HA -0.131 nan 4.420 nan 0.000 0.210 974 P C 1.302 178.639 177.300 0.062 0.000 1.191 974 P CA 1.444 64.587 63.100 0.071 0.000 0.917 974 P CB -0.140 31.584 31.700 0.039 0.000 0.778 975 I N -1.130 119.461 120.570 0.035 0.000 2.130 975 I HA -0.349 3.823 4.170 0.003 0.000 0.241 975 I C 2.383 178.515 176.117 0.025 0.000 1.023 975 I CA 1.858 63.166 61.300 0.012 0.000 1.293 975 I CB -1.262 36.722 38.000 -0.027 0.000 1.001 975 I HN -0.077 nan 8.210 nan 0.000 0.407 976 L N -0.803 120.457 121.223 0.063 0.000 2.012 976 L HA -0.264 4.078 4.340 0.003 0.000 0.210 976 L C 2.673 179.588 176.870 0.075 0.000 1.073 976 L CA 1.498 56.407 54.840 0.114 0.000 0.748 976 L CB -0.513 41.708 42.059 0.270 0.000 0.891 976 L HN 0.344 nan 8.230 nan 0.000 0.431 977 M N -0.113 119.541 119.600 0.089 0.000 2.399 977 M HA -0.254 4.228 4.480 0.003 0.000 0.263 977 M C 2.286 178.502 176.300 -0.141 0.000 1.067 977 M CA 2.602 57.824 55.300 -0.131 0.000 1.084 977 M CB -0.512 32.085 32.600 -0.006 0.000 1.252 977 M HN 0.132 nan 8.290 nan 0.000 0.454 978 T N -0.056 114.471 114.554 -0.045 0.000 2.564 978 T HA -0.273 4.078 4.350 0.003 0.000 0.264 978 T C 1.925 176.637 174.700 0.020 0.000 1.100 978 T CA 2.281 64.379 62.100 -0.002 0.000 1.171 978 T CB -0.995 67.895 68.868 0.036 0.000 0.863 978 T HN 0.522 nan 8.240 nan 0.000 0.430 979 S N 0.799 116.509 115.700 0.017 0.000 2.381 979 S HA -0.136 4.336 4.470 0.003 0.000 0.230 979 S C 2.013 176.626 174.600 0.022 0.000 1.052 979 S CA 1.390 59.605 58.200 0.026 0.000 1.068 979 S CB -0.683 62.519 63.200 0.004 0.000 0.918 979 S HN 0.382 nan 8.310 nan 0.000 0.448 980 L N 0.430 121.627 121.223 -0.044 0.000 2.081 980 L HA -0.227 4.115 4.340 0.003 0.000 0.212 980 L C 2.586 179.419 176.870 -0.063 0.000 1.080 980 L CA 1.322 56.113 54.840 -0.080 0.000 0.754 980 L CB -0.712 41.212 42.059 -0.226 0.000 0.893 980 L HN 0.369 nan 8.230 nan 0.000 0.433 981 A N -0.113 122.671 122.820 -0.060 0.000 1.832 981 A HA -0.196 4.126 4.320 0.003 0.000 0.214 981 A C 2.144 179.747 177.584 0.031 0.000 1.242 981 A CA 1.041 53.052 52.037 -0.043 0.000 0.603 981 A CB -1.078 17.887 19.000 -0.059 0.000 0.902 981 A HN 0.275 nan 8.150 nan 0.000 0.455 982 F N 0.900 120.815 119.950 -0.058 0.000 2.043 982 F HA -0.249 4.280 4.527 0.003 0.000 0.297 982 F C 1.902 177.682 175.800 -0.033 0.000 1.118 982 F CA 2.112 60.089 58.000 -0.039 0.000 1.202 982 F CB -0.195 38.789 39.000 -0.027 0.000 0.965 982 F HN 0.188 nan 8.300 nan 0.000 0.482 983 I N 0.180 120.941 120.570 0.319 0.000 3.102 983 I HA -0.232 3.940 4.170 0.003 0.000 0.278 983 I C 1.367 177.546 176.117 0.102 0.000 1.316 983 I CA 0.333 61.742 61.300 0.182 0.000 1.425 983 I CB -0.396 37.657 38.000 0.087 0.000 1.073 983 I HN 0.310 nan 8.210 nan 0.000 0.503 984 L N -0.119 121.144 121.223 0.067 0.000 2.653 984 L HA 0.337 4.678 4.340 0.003 0.000 0.230 984 L C 1.966 178.826 176.870 -0.017 0.000 1.055 984 L CA 0.790 55.638 54.840 0.013 0.000 0.880 984 L CB -0.086 41.964 42.059 -0.016 0.000 1.195 984 L HN 0.044 nan 8.230 nan 0.000 0.492 985 G N -1.289 107.480 108.800 -0.050 0.000 3.474 985 G HA2 0.378 4.340 3.960 0.003 0.000 0.269 985 G HA3 0.378 4.340 3.960 0.003 0.000 0.269 985 G C 0.372 175.199 174.900 -0.122 0.000 1.339 985 G CA 0.653 45.679 45.100 -0.122 0.000 1.258 985 G HN 0.190 nan 8.290 nan 0.000 0.560 986 V N -0.609 119.289 119.914 -0.026 0.000 3.188 986 V HA 0.122 4.244 4.120 0.003 0.000 0.258 986 V C 2.030 178.134 176.094 0.017 0.000 1.702 986 V CA 0.352 62.659 62.300 0.012 0.000 1.020 986 V CB -0.304 31.602 31.823 0.139 0.000 0.884 986 V HN 0.438 nan 8.190 nan 0.000 0.399 987 M N 1.188 120.801 119.600 0.021 0.000 2.149 987 M HA -0.105 4.377 4.480 0.003 0.000 0.261 987 M C -0.487 175.814 176.300 0.002 0.000 1.064 987 M CA 2.471 57.782 55.300 0.019 0.000 1.102 987 M CB -0.764 31.847 32.600 0.019 0.000 1.369 987 M HN 0.244 nan 8.290 nan 0.000 0.408 988 P HA -0.224 nan 4.420 nan 0.000 0.214 988 P C 1.509 178.795 177.300 -0.023 0.000 1.172 988 P CA 1.681 64.768 63.100 -0.023 0.000 0.925 988 P CB -0.307 31.369 31.700 -0.040 0.000 0.793 989 L N -1.447 119.754 121.223 -0.036 0.000 2.046 989 L HA -0.137 4.205 4.340 0.003 0.000 0.208 989 L C 2.457 179.306 176.870 -0.034 0.000 1.077 989 L CA 1.234 56.045 54.840 -0.048 0.000 0.747 989 L CB -1.356 40.641 42.059 -0.104 0.000 0.896 989 L HN -0.147 nan 8.230 nan 0.000 0.432 990 V N 0.357 120.260 119.914 -0.018 0.000 2.392 990 V HA -0.285 3.837 4.120 0.003 0.000 0.249 990 V C 2.297 178.395 176.094 0.008 0.000 1.059 990 V CA 1.794 64.094 62.300 0.000 0.000 1.051 990 V CB -0.375 31.460 31.823 0.019 0.000 0.658 990 V HN 0.307 nan 8.190 nan 0.000 0.455 991 I N -0.227 120.348 120.570 0.008 0.000 2.130 991 I HA -0.096 4.076 4.170 0.003 0.000 0.232 991 I C 1.280 177.403 176.117 0.010 0.000 1.064 991 I CA 0.444 61.752 61.300 0.013 0.000 1.338 991 I CB -0.613 37.395 38.000 0.014 0.000 1.084 991 I HN 0.213 nan 8.210 nan 0.000 0.404 992 S N 1.333 117.035 115.700 0.002 0.000 3.129 992 S HA -0.109 4.363 4.470 0.003 0.000 0.371 992 S C 0.404 175.005 174.600 0.001 0.000 1.196 992 S CA 0.413 58.611 58.200 -0.003 0.000 0.989 992 S CB -0.033 63.156 63.200 -0.019 0.000 0.695 992 S HN 0.429 nan 8.310 nan 0.000 0.499 993 T N 1.794 116.355 114.554 0.011 0.000 3.541 993 T HA 0.297 4.649 4.350 0.003 0.000 0.309 993 T C 1.514 176.242 174.700 0.046 0.000 0.973 993 T CA 0.031 62.150 62.100 0.031 0.000 0.993 993 T CB 0.500 69.400 68.868 0.053 0.000 1.206 993 T HN 0.692 nan 8.240 nan 0.000 0.489 994 G N 1.630 110.428 108.800 -0.002 0.000 2.439 994 G HA2 0.464 4.426 3.960 0.003 0.000 0.212 994 G HA3 0.464 4.426 3.960 0.003 0.000 0.212 994 G C 0.564 175.319 174.900 -0.242 0.000 1.199 994 G CA 0.448 45.553 45.100 0.007 0.000 0.807 994 G HN 0.617 nan 8.290 nan 0.000 0.537 995 A N -0.678 121.814 122.820 -0.547 0.000 2.317 995 A HA 0.655 4.977 4.320 0.003 0.000 0.327 995 A C 1.385 178.552 177.584 -0.695 0.000 1.178 995 A CA 0.575 51.834 52.037 -1.297 0.000 0.817 995 A CB 0.615 18.994 19.000 -1.035 0.000 1.189 995 A HN 1.584 nan 8.150 nan 0.000 0.489 996 G N 2.339 110.791 108.800 -0.579 0.000 2.674 996 G HA2 -0.288 3.674 3.960 0.003 0.000 0.367 996 G HA3 -0.288 3.674 3.960 0.003 0.000 0.367 996 G C 1.592 176.480 174.900 -0.020 0.000 1.087 996 G CA 3.536 48.584 45.100 -0.087 0.000 0.898 996 G HN 2.683 nan 8.290 nan 0.000 0.652 997 S N -2.681 113.009 115.700 -0.016 0.000 2.194 997 S HA -0.312 4.160 4.470 0.003 0.000 0.225 997 S C 3.105 177.721 174.600 0.028 0.000 1.176 997 S CA 2.839 61.046 58.200 0.012 0.000 1.694 997 S CB -2.057 61.125 63.200 -0.029 0.000 2.249 997 S HN 2.591 nan 8.310 nan 0.000 0.601 998 G N 2.205 111.037 108.800 0.053 0.000 2.556 998 G HA2 0.001 3.963 3.960 0.003 0.000 0.220 998 G HA3 0.001 3.963 3.960 0.003 0.000 0.220 998 G C 1.761 176.656 174.900 -0.008 0.000 1.156 998 G CA 2.546 47.677 45.100 0.051 0.000 0.766 998 G HN 1.777 nan 8.290 nan 0.000 0.583 999 A N 0.563 123.348 122.820 -0.059 0.000 1.877 999 A HA -0.095 4.226 4.320 0.003 0.000 0.216 999 A C 2.335 179.734 177.584 -0.308 0.000 1.186 999 A CA 1.901 53.700 52.037 -0.397 0.000 0.620 999 A CB -0.476 18.141 19.000 -0.639 0.000 0.822 999 A HN 0.519 nan 8.150 nan 0.000 0.443 1000 Q N -0.253 119.521 119.800 -0.043 0.000 2.439 1000 Q HA -0.112 4.230 4.340 0.003 0.000 0.211 1000 Q C 1.280 177.195 176.000 -0.142 0.000 0.978 1000 Q CA 0.883 56.593 55.803 -0.154 0.000 0.897 1000 Q CB -0.230 28.539 28.738 0.051 0.000 0.956 1000 Q HN 0.599 nan 8.270 nan 0.000 0.483 1001 N N 1.052 119.703 118.700 -0.082 0.000 2.182 1001 N HA -0.018 4.724 4.740 0.003 0.000 0.186 1001 N C 1.779 177.274 175.510 -0.025 0.000 1.036 1001 N CA 1.251 54.279 53.050 -0.036 0.000 0.850 1001 N CB -0.387 38.097 38.487 -0.004 0.000 1.010 1001 N HN 0.213 nan 8.380 nan 0.000 0.432 1002 A N 1.224 124.038 122.820 -0.010 0.000 1.908 1002 A HA -0.105 4.217 4.320 0.003 0.000 0.218 1002 A C 2.442 180.094 177.584 0.114 0.000 1.181 1002 A CA 1.491 53.575 52.037 0.079 0.000 0.627 1002 A CB -0.847 18.250 19.000 0.163 0.000 0.818 1002 A HN 0.100 nan 8.150 nan 0.000 0.445 1003 V N -0.202 119.698 119.914 -0.023 0.000 2.222 1003 V HA -0.140 3.981 4.120 0.003 0.000 0.240 1003 V C 2.884 178.971 176.094 -0.012 0.000 1.040 1003 V CA 1.997 64.268 62.300 -0.048 0.000 0.988 1003 V CB -1.802 29.795 31.823 -0.377 0.000 0.633 1003 V HN 0.575 nan 8.190 nan 0.000 0.452 1004 G N -0.180 108.568 108.800 -0.086 0.000 2.681 1004 G HA2 -0.376 3.585 3.960 0.003 0.000 0.220 1004 G HA3 -0.376 3.585 3.960 0.003 0.000 0.220 1004 G C 1.651 176.578 174.900 0.044 0.000 1.210 1004 G CA 2.149 47.239 45.100 -0.017 0.000 0.783 1004 G HN 0.473 nan 8.290 nan 0.000 0.609 1005 T N 1.023 115.603 114.554 0.042 0.000 2.778 1005 T HA -0.081 4.271 4.350 0.003 0.000 0.269 1005 T C 2.425 177.191 174.700 0.111 0.000 1.050 1005 T CA 1.687 63.825 62.100 0.064 0.000 1.137 1005 T CB -0.707 68.189 68.868 0.048 0.000 0.860 1005 T HN 0.469 nan 8.240 nan 0.000 0.468 1006 G N 1.171 110.069 108.800 0.164 0.000 2.491 1006 G HA2 -0.213 3.748 3.960 0.003 0.000 0.218 1006 G HA3 -0.213 3.748 3.960 0.003 0.000 0.218 1006 G C 1.653 176.632 174.900 0.132 0.000 1.180 1006 G CA 1.363 46.617 45.100 0.256 0.000 0.774 1006 G HN 0.494 nan 8.290 nan 0.000 0.562 1007 V N 1.825 121.793 119.914 0.089 0.000 2.488 1007 V HA -0.115 4.006 4.120 0.003 0.000 0.246 1007 V C 2.763 178.859 176.094 0.005 0.000 1.046 1007 V CA 2.117 64.433 62.300 0.026 0.000 1.053 1007 V CB -0.619 31.255 31.823 0.085 0.000 0.679 1007 V HN 0.572 nan 8.190 nan 0.000 0.458 1008 M N 2.833 122.467 119.600 0.057 0.000 2.255 1008 M HA -0.049 4.433 4.480 0.003 0.000 0.260 1008 M C 2.171 178.483 176.300 0.020 0.000 1.069 1008 M CA 2.735 58.063 55.300 0.046 0.000 1.089 1008 M CB -2.036 30.600 32.600 0.060 0.000 1.269 1008 M HN 0.110 nan 8.290 nan 0.000 0.434 1009 G N -0.847 107.974 108.800 0.035 0.000 2.562 1009 G HA2 -0.075 3.887 3.960 0.003 0.000 0.223 1009 G HA3 -0.075 3.887 3.960 0.003 0.000 0.223 1009 G C 1.411 176.315 174.900 0.006 0.000 1.102 1009 G CA 1.189 46.304 45.100 0.024 0.000 0.742 1009 G HN 0.767 nan 8.290 nan 0.000 0.587 1010 G N 0.043 108.839 108.800 -0.007 0.000 2.473 1010 G HA2 -0.035 3.927 3.960 0.003 0.000 0.212 1010 G HA3 -0.035 3.927 3.960 0.003 0.000 0.212 1010 G C 1.741 176.596 174.900 -0.075 0.000 1.211 1010 G CA 0.769 45.842 45.100 -0.045 0.000 0.813 1010 G HN 0.194 nan 8.290 nan 0.000 0.541 1011 M N 0.711 120.237 119.600 -0.124 0.000 2.260 1011 M HA -0.052 4.430 4.480 0.003 0.000 0.261 1011 M C 2.534 178.796 176.300 -0.064 0.000 1.066 1011 M CA 0.653 55.863 55.300 -0.149 0.000 1.082 1011 M CB -0.819 31.648 32.600 -0.221 0.000 1.388 1011 M HN 0.106 nan 8.290 nan 0.000 0.419 1012 V N -0.529 119.369 119.914 -0.026 0.000 2.232 1012 V HA -0.200 3.922 4.120 0.003 0.000 0.239 1012 V C 2.049 178.150 176.094 0.012 0.000 1.040 1012 V CA 2.014 64.317 62.300 0.006 0.000 0.996 1012 V CB -1.025 30.810 31.823 0.021 0.000 0.638 1012 V HN 0.342 nan 8.190 nan 0.000 0.453 1013 T N 0.566 115.125 114.554 0.009 0.000 3.118 1013 T HA -0.070 4.282 4.350 0.003 0.000 0.269 1013 T C 1.386 176.091 174.700 0.009 0.000 1.166 1013 T CA 1.101 63.211 62.100 0.017 0.000 1.073 1013 T CB -0.313 68.557 68.868 0.004 0.000 0.884 1013 T HN 0.512 nan 8.240 nan 0.000 0.550 1014 A N -0.020 122.795 122.820 -0.010 0.000 2.308 1014 A HA 0.284 4.606 4.320 0.003 0.000 0.217 1014 A C 2.061 179.639 177.584 -0.010 0.000 1.216 1014 A CA 0.343 52.369 52.037 -0.019 0.000 0.864 1014 A CB 0.087 19.052 19.000 -0.060 0.000 0.902 1014 A HN 0.401 nan 8.150 nan 0.000 0.499 1015 T N -1.507 113.049 114.554 0.003 0.000 3.174 1015 T HA 0.040 4.392 4.350 0.003 0.000 0.252 1015 T C 1.967 176.677 174.700 0.017 0.000 0.984 1015 T CA 1.104 63.201 62.100 -0.005 0.000 1.113 1015 T CB -0.536 68.323 68.868 -0.015 0.000 1.088 1015 T HN 0.407 nan 8.240 nan 0.000 0.442 1016 V N 1.060 121.012 119.914 0.064 0.000 2.261 1016 V HA -0.022 4.099 4.120 0.003 0.000 0.246 1016 V C 2.291 178.550 176.094 0.275 0.000 1.047 1016 V CA 1.500 63.888 62.300 0.147 0.000 1.015 1016 V CB -1.034 30.886 31.823 0.163 0.000 0.642 1016 V HN 0.295 nan 8.190 nan 0.000 0.446 1017 L N 1.058 122.413 121.223 0.220 0.000 2.095 1017 L HA 0.354 4.695 4.340 0.003 0.000 0.204 1017 L C 2.613 179.631 176.870 0.248 0.000 1.080 1017 L CA 1.993 56.995 54.840 0.270 0.000 0.759 1017 L CB -0.935 41.191 42.059 0.112 0.000 0.914 1017 L HN 0.338 nan 8.230 nan 0.000 0.439 1018 A N -0.057 122.835 122.820 0.120 0.000 2.015 1018 A HA -0.105 4.217 4.320 0.003 0.000 0.219 1018 A C 2.119 179.774 177.584 0.117 0.000 1.163 1018 A CA 1.565 53.654 52.037 0.087 0.000 0.646 1018 A CB -0.869 18.158 19.000 0.046 0.000 0.806 1018 A HN 0.616 nan 8.150 nan 0.000 0.448 1019 I N -4.109 116.512 120.570 0.085 0.000 2.130 1019 I HA -0.145 4.027 4.170 0.003 0.000 0.234 1019 I C 2.167 178.311 176.117 0.045 0.000 1.067 1019 I CA 1.478 62.788 61.300 0.016 0.000 1.339 1019 I CB -1.185 36.745 38.000 -0.116 0.000 1.073 1019 I HN 0.149 nan 8.210 nan 0.000 0.405 1020 F N 1.112 121.156 119.950 0.158 0.000 2.135 1020 F HA -0.271 4.257 4.527 0.003 0.000 0.300 1020 F C 2.253 177.849 175.800 -0.341 0.000 1.074 1020 F CA 1.953 59.875 58.000 -0.131 0.000 1.262 1020 F CB -0.867 37.991 39.000 -0.238 0.000 1.013 1020 F HN 0.015 nan 8.300 nan 0.000 0.489 1021 F N -0.845 118.983 119.950 -0.203 0.000 2.259 1021 F HA -0.104 4.425 4.527 0.003 0.000 0.298 1021 F C 2.234 177.576 175.800 -0.764 0.000 1.088 1021 F CA 0.582 58.169 58.000 -0.688 0.000 1.358 1021 F CB -1.189 37.160 39.000 -1.085 0.000 1.040 1021 F HN -0.265 nan 8.300 nan 0.000 0.505 1022 V N 0.942 120.754 119.914 -0.169 0.000 2.255 1022 V HA -0.228 3.894 4.120 0.003 0.000 0.247 1022 V C -0.362 175.777 176.094 0.077 0.000 1.051 1022 V CA 2.002 64.319 62.300 0.029 0.000 1.018 1022 V CB -1.742 30.132 31.823 0.085 0.000 0.641 1022 V HN 0.161 nan 8.190 nan 0.000 0.445 1023 P HA -0.084 nan 4.420 nan 0.000 0.221 1023 P C 1.649 178.948 177.300 -0.002 0.000 1.145 1023 P CA 1.070 64.193 63.100 0.039 0.000 0.795 1023 P CB -0.001 31.663 31.700 -0.061 0.000 0.775 1024 V N -1.628 118.219 119.914 -0.112 0.000 2.283 1024 V HA -0.144 3.978 4.120 0.003 0.000 0.239 1024 V C 2.106 178.256 176.094 0.093 0.000 1.035 1024 V CA 1.332 63.563 62.300 -0.116 0.000 1.018 1024 V CB -1.371 30.259 31.823 -0.322 0.000 0.658 1024 V HN 0.034 nan 8.190 nan 0.000 0.459 1025 F N -0.299 119.689 119.950 0.064 0.000 2.027 1025 F HA -0.342 4.187 4.527 0.003 0.000 0.297 1025 F C 2.433 178.328 175.800 0.158 0.000 1.129 1025 F CA 2.276 60.328 58.000 0.087 0.000 1.195 1025 F CB -0.667 38.384 39.000 0.085 0.000 0.960 1025 F HN 0.197 nan 8.300 nan 0.000 0.485 1026 F N 1.194 121.295 119.950 0.252 0.000 2.087 1026 F HA -0.238 4.290 4.527 0.003 0.000 0.299 1026 F C 2.217 178.084 175.800 0.112 0.000 1.100 1026 F CA 1.333 59.426 58.000 0.156 0.000 1.226 1026 F CB -1.049 38.018 39.000 0.112 0.000 0.983 1026 F HN -0.254 nan 8.300 nan 0.000 0.479 1027 V N -0.435 119.415 119.914 -0.107 0.000 2.287 1027 V HA -0.305 3.816 4.120 0.003 0.000 0.248 1027 V C 2.462 178.479 176.094 -0.129 0.000 1.053 1027 V CA 1.810 63.969 62.300 -0.236 0.000 1.027 1027 V CB -0.773 30.985 31.823 -0.109 0.000 0.646 1027 V HN 0.274 nan 8.190 nan 0.000 0.447 1028 V N -0.443 119.469 119.914 -0.005 0.000 2.667 1028 V HA -0.143 3.979 4.120 0.003 0.000 0.252 1028 V C 2.269 178.381 176.094 0.031 0.000 1.065 1028 V CA 1.406 63.721 62.300 0.026 0.000 1.083 1028 V CB 0.056 31.928 31.823 0.081 0.000 0.692 1028 V HN 0.436 nan 8.190 nan 0.000 0.468 1029 V N 0.048 120.000 119.914 0.064 0.000 2.809 1029 V HA -0.134 3.988 4.120 0.003 0.000 0.256 1029 V C 2.490 178.623 176.094 0.066 0.000 1.080 1029 V CA 1.711 64.071 62.300 0.099 0.000 1.102 1029 V CB -0.685 31.278 31.823 0.233 0.000 0.705 1029 V HN 0.456 nan 8.190 nan 0.000 0.475 1030 R N 0.668 121.131 120.500 -0.062 0.000 2.100 1030 R HA 0.053 4.395 4.340 0.003 0.000 0.220 1030 R C 2.193 178.508 176.300 0.025 0.000 1.091 1030 R CA 1.000 57.054 56.100 -0.077 0.000 0.986 1030 R CB -0.302 29.800 30.300 -0.330 0.000 0.888 1030 R HN 0.214 nan 8.270 nan 0.000 0.444 1031 R N 0.425 120.919 120.500 -0.011 0.000 2.328 1031 R HA -0.028 4.314 4.340 0.003 0.000 0.207 1031 R C 1.658 177.979 176.300 0.035 0.000 1.056 1031 R CA 0.656 56.762 56.100 0.010 0.000 1.016 1031 R CB -0.399 29.894 30.300 -0.011 0.000 0.872 1031 R HN 0.270 nan 8.270 nan 0.000 0.471 1032 R N -0.196 120.340 120.500 0.061 0.000 2.313 1032 R HA -0.037 4.304 4.340 0.003 0.000 0.199 1032 R C 1.280 177.660 176.300 0.134 0.000 0.958 1032 R CA 0.331 56.469 56.100 0.064 0.000 1.047 1032 R CB 0.012 30.338 30.300 0.043 0.000 0.955 1032 R HN 0.083 nan 8.270 nan 0.000 0.481 1033 F N -0.210 119.747 119.950 0.011 0.000 2.315 1033 F HA 0.179 4.708 4.527 0.003 0.000 0.284 1033 F C 1.883 177.694 175.800 0.018 0.000 1.049 1033 F CA 0.862 58.879 58.000 0.029 0.000 1.323 1033 F CB -0.411 38.614 39.000 0.041 0.000 1.113 1033 F HN -0.108 nan 8.300 nan 0.000 0.544 1034 S N 0.702 116.288 115.700 -0.189 0.000 2.723 1034 S HA 0.002 4.474 4.470 0.003 0.000 0.231 1034 S C 1.386 175.864 174.600 -0.203 0.000 0.967 1034 S CA 0.101 58.129 58.200 -0.287 0.000 0.958 1034 S CB -0.715 62.436 63.200 -0.081 0.000 0.778 1034 S HN 0.235 nan 8.310 nan 0.000 0.537 1035 R N 0.869 121.269 120.500 -0.167 0.000 2.388 1035 R HA 0.328 4.670 4.340 0.003 0.000 0.247 1035 R C -0.001 176.229 176.300 -0.118 0.000 0.931 1035 R CA 0.103 56.140 56.100 -0.106 0.000 1.082 1035 R CB 0.130 30.395 30.300 -0.058 0.000 1.135 1035 R HN 0.275 nan 8.270 nan 0.000 0.525 1036 K N 0.000 120.288 120.400 -0.187 0.000 2.780 1036 K HA 0.000 4.322 4.320 0.003 0.000 0.191 1036 K CA 0.000 56.197 56.287 -0.149 0.000 0.838 1036 K CB 0.000 32.424 32.500 -0.127 0.000 1.064 1036 K HN 0.000 nan 8.250 nan 0.000 0.543