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 2bzr_1_B DATA FIRST_RESID 21 DATA SEQUENCE DIHTTAGKLA ELHKRREESL HPVGEDAVEK VHAKGKLTAR ERIYALLDED DATA SEQUENCE SFVELDALAK HRSTNFNLGE KRPLGDGVVT GYGTIDGRDV CIFSQDATVF DATA SEQUENCE GGSLGEVYGE KIVKVQELAI KTGRPLIGIN DGAGARIQEG VVSLGLYSRI DATA SEQUENCE FRNNILASGV IPQISLIMGA AAGGHVYSPA LTDFVIMVDQ TSQMFITGPD DATA SEQUENCE VIKTVTGEEV TMEELGGAHT HMAKSGTAHY AASGEQDAFD YVRELLSYLP DATA SEQUENCE PNNSTDAPRY QAAAPTGPIE ENLTDEDLEL DTLIPDSPNQ PYDMHEVITR DATA SEQUENCE LLDDEFLEIQ AGYAQNIVVG FGRIDGRPVG IVANQPTHFA GCLDINASEK DATA SEQUENCE AARFVRTCDC FNIPIVMLVD VPGFLPGTDQ EYNGIIRRGA KLLYAYGEAT DATA SEQUENCE VPKITVITRK AYGGAYCVMG SKDMGCDVNL AWPTAQIAVM GASGAVGFVY DATA SEQUENCE XXXXXXXXXX XXXXXXXXLR LQQEYEDTLV NPYVAAERGY VGAVIPPSHT DATA SEQUENCE RGYIGTALRL LERKXXXXXX KKHGNVPL 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 21 D HA 0.000 nan 4.640 nan 0.000 0.175 21 D C 0.000 176.260 176.300 -0.066 0.000 2.045 21 D CA 0.000 53.989 54.000 -0.018 0.000 0.868 21 D CB 0.000 40.807 40.800 0.012 0.000 0.688 22 I N -1.651 118.842 120.570 -0.127 0.000 5.473 22 I HA 0.177 4.359 4.170 0.020 0.000 0.357 22 I C -0.046 175.887 176.117 -0.308 0.000 1.098 22 I CA 0.427 61.576 61.300 -0.251 0.000 1.647 22 I CB 0.094 37.874 38.000 -0.366 0.000 2.069 22 I HN 0.286 nan 8.210 nan 0.000 0.703 23 H N 1.899 120.973 119.070 0.006 0.000 2.529 23 H HA 0.377 4.935 4.556 0.002 0.000 0.277 23 H C 0.300 175.631 175.328 0.005 0.000 1.004 23 H CA 0.704 56.755 56.048 0.005 0.000 1.167 23 H CB 0.080 29.844 29.762 0.003 0.000 1.445 23 H HN 0.436 nan 8.280 nan 0.000 0.554 24 T N -3.629 110.964 114.554 0.065 0.000 2.918 24 T HA 0.143 4.505 4.350 0.020 0.000 0.286 24 T C 1.396 176.113 174.700 0.028 0.000 1.026 24 T CA -0.673 61.456 62.100 0.047 0.000 1.031 24 T CB 1.946 70.835 68.868 0.036 0.000 1.046 24 T HN -0.026 nan 8.240 nan 0.000 0.479 25 T N 1.719 116.289 114.554 0.027 0.000 2.699 25 T HA -0.103 4.258 4.350 0.020 0.000 0.268 25 T C 2.323 177.036 174.700 0.021 0.000 1.036 25 T CA 1.751 63.864 62.100 0.022 0.000 1.147 25 T CB -0.767 68.113 68.868 0.020 0.000 0.862 25 T HN 0.847 nan 8.240 nan 0.000 0.446 26 A N 1.179 124.010 122.820 0.019 0.000 1.930 26 A HA 0.176 4.507 4.320 0.020 0.000 0.217 26 A C 2.623 180.218 177.584 0.019 0.000 1.175 26 A CA 1.717 53.766 52.037 0.019 0.000 0.627 26 A CB -1.215 17.792 19.000 0.012 0.000 0.815 26 A HN 0.516 nan 8.150 nan 0.000 0.443 27 G N -0.285 108.521 108.800 0.009 0.000 2.402 27 G HA2 -0.189 3.783 3.960 0.020 0.000 0.216 27 G HA3 -0.189 3.783 3.960 0.020 0.000 0.216 27 G C 1.662 176.560 174.900 -0.002 0.000 1.162 27 G CA 1.030 46.128 45.100 -0.003 0.000 0.777 27 G HN 0.562 nan 8.290 nan 0.000 0.539 28 K N -0.527 119.873 120.400 -0.001 0.000 2.097 28 K HA 0.038 4.370 4.320 0.020 0.000 0.205 28 K C 2.298 178.908 176.600 0.017 0.000 1.050 28 K CA 0.784 57.070 56.287 -0.001 0.000 0.938 28 K CB -0.224 32.276 32.500 0.000 0.000 0.718 28 K HN 0.260 nan 8.250 nan 0.000 0.442 29 L N 0.884 122.132 121.223 0.041 0.000 2.056 29 L HA -0.045 4.307 4.340 0.020 0.000 0.207 29 L C 2.141 179.113 176.870 0.171 0.000 1.078 29 L CA 1.668 56.563 54.840 0.093 0.000 0.749 29 L CB -0.648 41.476 42.059 0.108 0.000 0.901 29 L HN 0.109 nan 8.230 nan 0.000 0.433 30 A N -0.802 122.085 122.820 0.111 0.000 1.972 30 A HA -0.265 4.067 4.320 0.020 0.000 0.219 30 A C 2.318 179.953 177.584 0.086 0.000 1.169 30 A CA 1.787 53.885 52.037 0.101 0.000 0.635 30 A CB -0.691 18.331 19.000 0.037 0.000 0.810 30 A HN 0.655 nan 8.150 nan 0.000 0.446 31 E N -0.465 119.761 120.200 0.043 0.000 2.072 31 E HA -0.183 4.179 4.350 0.020 0.000 0.191 31 E C 1.919 178.524 176.600 0.008 0.000 0.985 31 E CA 1.222 57.632 56.400 0.017 0.000 0.801 31 E CB -0.235 29.459 29.700 -0.009 0.000 0.750 31 E HN 0.429 nan 8.360 nan 0.000 0.452 32 L N 1.536 122.753 121.223 -0.010 0.000 2.013 32 L HA -0.244 4.108 4.340 0.020 0.000 0.212 32 L C 2.274 179.084 176.870 -0.100 0.000 1.073 32 L CA 2.056 56.851 54.840 -0.075 0.000 0.753 32 L CB -0.792 41.189 42.059 -0.130 0.000 0.890 32 L HN 0.286 nan 8.230 nan 0.000 0.432 33 H N -0.268 118.795 119.070 -0.012 0.000 2.387 33 H HA -0.177 4.388 4.556 0.016 0.000 0.299 33 H C 2.219 177.542 175.328 -0.008 0.000 1.090 33 H CA 1.771 57.813 56.048 -0.009 0.000 1.332 33 H CB 0.050 29.809 29.762 -0.006 0.000 1.386 33 H HN 0.453 nan 8.280 nan 0.000 0.516 34 K N 1.312 121.770 120.400 0.097 0.000 2.057 34 K HA -0.117 4.214 4.320 0.020 0.000 0.206 34 K C 2.259 178.868 176.600 0.014 0.000 1.050 34 K CA 0.910 57.229 56.287 0.052 0.000 0.935 34 K CB 0.147 32.671 32.500 0.041 0.000 0.715 34 K HN 0.173 nan 8.250 nan 0.000 0.439 35 R N 0.096 120.591 120.500 -0.008 0.000 2.092 35 R HA -0.025 4.326 4.340 0.020 0.000 0.231 35 R C 2.452 178.722 176.300 -0.050 0.000 1.119 35 R CA 1.169 57.251 56.100 -0.031 0.000 0.970 35 R CB -0.134 30.145 30.300 -0.035 0.000 0.864 35 R HN 0.178 nan 8.270 nan 0.000 0.440 36 R N 0.729 121.197 120.500 -0.054 0.000 2.081 36 R HA -0.110 4.241 4.340 0.020 0.000 0.235 36 R C 1.975 178.243 176.300 -0.054 0.000 1.131 36 R CA 0.947 57.013 56.100 -0.057 0.000 0.960 36 R CB -0.314 29.944 30.300 -0.070 0.000 0.856 36 R HN 0.287 nan 8.270 nan 0.000 0.436 37 E N 1.106 121.288 120.200 -0.031 0.000 2.038 37 E HA -0.224 4.138 4.350 0.020 0.000 0.195 37 E C 1.885 178.331 176.600 -0.257 0.000 1.000 37 E CA 1.184 57.555 56.400 -0.048 0.000 0.803 37 E CB -0.111 29.615 29.700 0.043 0.000 0.750 37 E HN 0.438 nan 8.360 nan 0.000 0.448 38 E N 0.577 120.649 120.200 -0.213 0.000 2.153 38 E HA -0.157 4.205 4.350 0.020 0.000 0.194 38 E C 1.953 178.327 176.600 -0.378 0.000 0.988 38 E CA 1.396 57.601 56.400 -0.324 0.000 0.811 38 E CB -0.014 29.635 29.700 -0.085 0.000 0.746 38 E HN 0.157 nan 8.360 nan 0.000 0.466 39 S N 0.158 115.729 115.700 -0.216 0.000 2.447 39 S HA -0.083 4.399 4.470 0.020 0.000 0.233 39 S C 1.911 176.430 174.600 -0.135 0.000 1.006 39 S CA 0.584 58.707 58.200 -0.129 0.000 0.957 39 S CB -0.342 62.819 63.200 -0.065 0.000 0.773 39 S HN 0.348 nan 8.310 nan 0.000 0.507 40 L N 0.782 121.872 121.223 -0.221 0.000 2.395 40 L HA 0.106 4.457 4.340 0.020 0.000 0.218 40 L C 0.409 177.242 176.870 -0.061 0.000 1.130 40 L CA 0.670 55.445 54.840 -0.108 0.000 0.826 40 L CB -0.532 41.507 42.059 -0.034 0.000 0.941 40 L HN 0.654 nan 8.230 nan 0.000 0.451 41 H N -3.977 115.105 119.070 0.021 0.000 2.600 41 H HA 0.234 4.802 4.556 0.019 0.000 0.224 41 H C -2.418 172.906 175.328 -0.007 0.000 1.413 41 H CA -1.910 54.140 56.048 0.002 0.000 1.401 41 H CB -0.323 29.441 29.762 0.003 0.000 1.772 41 H HN -0.165 nan 8.280 nan 0.000 0.528 42 P HA -0.122 nan 4.420 nan 0.000 0.226 42 P C 0.855 178.159 177.300 0.005 0.000 1.153 42 P CA 0.939 64.031 63.100 -0.012 0.000 0.777 42 P CB 0.398 32.085 31.700 -0.022 0.000 0.794 43 V N -4.605 115.314 119.914 0.008 0.000 3.006 43 V HA 0.720 4.852 4.120 0.020 0.000 0.357 43 V C 0.406 176.507 176.094 0.012 0.000 1.377 43 V CA -0.250 62.038 62.300 -0.019 0.000 1.198 43 V CB -0.322 31.449 31.823 -0.085 0.000 1.216 43 V HN 0.266 nan 8.190 nan 0.000 0.520 44 G N 0.376 109.219 108.800 0.072 0.000 2.697 44 G HA2 -0.126 3.846 3.960 0.020 0.000 0.686 44 G HA3 -0.126 3.846 3.960 0.020 0.000 0.686 44 G C -0.092 174.808 174.900 0.001 0.000 1.179 44 G CA 0.009 45.133 45.100 0.040 0.000 0.765 44 G HN 0.332 nan 8.290 nan 0.000 0.649 45 E N -0.355 119.764 120.200 -0.135 0.000 2.204 45 E HA -0.120 4.241 4.350 0.020 0.000 0.195 45 E C 1.864 178.414 176.600 -0.084 0.000 0.990 45 E CA 1.069 57.361 56.400 -0.180 0.000 0.821 45 E CB 0.055 29.570 29.700 -0.308 0.000 0.750 45 E HN 0.568 nan 8.360 nan 0.000 0.477 46 D N -0.124 120.238 120.400 -0.063 0.000 2.097 46 D HA -0.156 4.496 4.640 0.020 0.000 0.195 46 D C 1.939 178.213 176.300 -0.043 0.000 0.989 46 D CA 1.183 55.157 54.000 -0.043 0.000 0.827 46 D CB 0.092 40.872 40.800 -0.033 0.000 0.966 46 D HN 0.172 nan 8.370 nan 0.000 0.456 47 A N 0.575 123.370 122.820 -0.041 0.000 1.940 47 A HA -0.142 4.190 4.320 0.020 0.000 0.219 47 A C 2.493 180.030 177.584 -0.078 0.000 1.176 47 A CA 1.163 53.173 52.037 -0.046 0.000 0.631 47 A CB -0.619 18.359 19.000 -0.036 0.000 0.814 47 A HN 0.179 nan 8.150 nan 0.000 0.446 48 V N -0.054 119.804 119.914 -0.093 0.000 2.379 48 V HA -0.228 3.904 4.120 0.020 0.000 0.245 48 V C 2.315 178.229 176.094 -0.300 0.000 1.044 48 V CA 2.126 64.310 62.300 -0.194 0.000 1.036 48 V CB -0.843 30.915 31.823 -0.107 0.000 0.664 48 V HN 0.646 nan 8.190 nan 0.000 0.453 49 E N 0.031 120.154 120.200 -0.129 0.000 2.150 49 E HA -0.231 4.131 4.350 0.020 0.000 0.193 49 E C 2.223 178.803 176.600 -0.033 0.000 0.985 49 E CA 1.021 57.394 56.400 -0.046 0.000 0.814 49 E CB -0.142 29.559 29.700 0.001 0.000 0.752 49 E HN 0.527 nan 8.360 nan 0.000 0.466 50 K N 0.463 120.834 120.400 -0.048 0.000 2.026 50 K HA -0.142 4.190 4.320 0.020 0.000 0.208 50 K C 2.125 178.708 176.600 -0.030 0.000 1.048 50 K CA 1.115 57.386 56.287 -0.026 0.000 0.929 50 K CB -0.096 32.389 32.500 -0.024 0.000 0.713 50 K HN -0.047 nan 8.250 nan 0.000 0.439 51 V N 1.054 120.916 119.914 -0.087 0.000 2.287 51 V HA -0.288 3.844 4.120 0.020 0.000 0.248 51 V C 2.137 178.238 176.094 0.012 0.000 1.053 51 V CA 1.885 64.141 62.300 -0.075 0.000 1.027 51 V CB -0.617 31.117 31.823 -0.148 0.000 0.646 51 V HN 0.380 nan 8.190 nan 0.000 0.447 52 H N 0.156 119.242 119.070 0.026 0.000 2.423 52 H HA 0.062 4.630 4.556 0.019 0.000 0.297 52 H C 2.302 177.643 175.328 0.020 0.000 1.075 52 H CA 1.317 57.381 56.048 0.026 0.000 1.342 52 H CB -0.632 29.146 29.762 0.027 0.000 1.395 52 H HN 0.460 nan 8.280 nan 0.000 0.530 53 A N 1.139 124.034 122.820 0.125 0.000 2.067 53 A HA -0.113 4.219 4.320 0.020 0.000 0.219 53 A C 1.960 179.577 177.584 0.056 0.000 1.158 53 A CA 1.025 53.106 52.037 0.073 0.000 0.661 53 A CB -0.168 18.860 19.000 0.046 0.000 0.801 53 A HN 0.297 nan 8.150 nan 0.000 0.452 54 K N -1.119 119.316 120.400 0.057 0.000 2.417 54 K HA 0.240 4.571 4.320 0.020 0.000 0.196 54 K C 0.928 177.558 176.600 0.050 0.000 1.023 54 K CA 0.408 56.722 56.287 0.044 0.000 1.122 54 K CB 0.016 32.537 32.500 0.035 0.000 0.850 54 K HN 0.579 nan 8.250 nan 0.000 0.521 55 G N 2.303 111.143 108.800 0.066 0.000 2.153 55 G HA2 -0.303 3.669 3.960 0.020 0.000 0.252 55 G HA3 -0.303 3.669 3.960 0.020 0.000 0.252 55 G C -0.227 174.716 174.900 0.072 0.000 0.994 55 G CA 0.377 45.513 45.100 0.060 0.000 0.698 55 G HN 0.282 nan 8.290 nan 0.000 0.521 56 K N -0.794 119.667 120.400 0.102 0.000 2.166 56 K HA 0.710 5.041 4.320 0.020 0.000 0.245 56 K C -0.067 176.638 176.600 0.175 0.000 0.967 56 K CA -1.165 55.184 56.287 0.103 0.000 0.863 56 K CB 1.276 33.820 32.500 0.074 0.000 1.107 56 K HN -0.014 nan 8.250 nan 0.000 0.436 57 L N 1.512 122.829 121.223 0.157 0.000 2.357 57 L HA 0.238 4.589 4.340 0.020 0.000 0.273 57 L C 0.816 177.767 176.870 0.136 0.000 1.080 57 L CA -0.074 54.883 54.840 0.195 0.000 0.803 57 L CB 0.996 43.171 42.059 0.192 0.000 1.174 57 L HN 0.825 nan 8.230 nan 0.000 0.443 58 T N -0.852 113.780 114.554 0.129 0.000 2.802 58 T HA 0.333 4.695 4.350 0.020 0.000 0.305 58 T C 1.435 176.136 174.700 0.001 0.000 1.053 58 T CA -0.030 62.092 62.100 0.037 0.000 1.058 58 T CB 0.563 69.442 68.868 0.020 0.000 0.988 58 T HN 0.642 nan 8.240 nan 0.000 0.539 59 A N 1.402 124.206 122.820 -0.026 0.000 1.884 59 A HA -0.211 4.120 4.320 0.020 0.000 0.219 59 A C 2.492 179.962 177.584 -0.190 0.000 1.197 59 A CA 2.341 54.337 52.037 -0.067 0.000 0.637 59 A CB -1.038 17.932 19.000 -0.049 0.000 0.827 59 A HN 0.998 nan 8.150 nan 0.000 0.450 60 R N -0.376 119.981 120.500 -0.238 0.000 2.081 60 R HA -0.150 4.201 4.340 0.020 0.000 0.235 60 R C 2.075 177.934 176.300 -0.736 0.000 1.131 60 R CA 1.757 57.553 56.100 -0.506 0.000 0.960 60 R CB -0.337 29.802 30.300 -0.269 0.000 0.856 60 R HN 0.680 nan 8.270 nan 0.000 0.436 61 E N -0.098 119.934 120.200 -0.280 0.000 2.110 61 E HA -0.195 4.167 4.350 0.020 0.000 0.193 61 E C 2.187 178.691 176.600 -0.161 0.000 0.988 61 E CA 1.310 57.655 56.400 -0.092 0.000 0.804 61 E CB 0.058 29.827 29.700 0.114 0.000 0.745 61 E HN 0.356 nan 8.360 nan 0.000 0.458 62 R N 0.294 120.699 120.500 -0.159 0.000 2.081 62 R HA -0.127 4.225 4.340 0.020 0.000 0.235 62 R C 2.386 178.358 176.300 -0.546 0.000 1.131 62 R CA 1.211 57.199 56.100 -0.187 0.000 0.960 62 R CB -0.331 29.997 30.300 0.047 0.000 0.856 62 R HN 0.206 nan 8.270 nan 0.000 0.436 63 I N -0.266 119.972 120.570 -0.553 0.000 2.163 63 I HA -0.330 3.852 4.170 0.020 0.000 0.243 63 I C 1.900 177.685 176.117 -0.554 0.000 1.085 63 I CA 1.653 62.549 61.300 -0.673 0.000 1.347 63 I CB -0.426 36.968 38.000 -1.011 0.000 1.044 63 I HN 0.208 nan 8.210 nan 0.000 0.408 64 Y N 0.594 120.661 120.300 -0.388 0.000 2.224 64 Y HA -0.208 4.354 4.550 0.019 0.000 0.289 64 Y C 2.700 178.446 175.900 -0.256 0.000 1.146 64 Y CA 0.446 58.390 58.100 -0.260 0.000 1.182 64 Y CB -0.481 37.886 38.460 -0.156 0.000 0.983 64 Y HN 0.150 nan 8.280 nan 0.000 0.524 65 A N 0.133 122.832 122.820 -0.202 0.000 1.902 65 A HA -0.174 4.158 4.320 0.020 0.000 0.217 65 A C 2.114 179.439 177.584 -0.431 0.000 1.181 65 A CA 1.623 53.498 52.037 -0.270 0.000 0.623 65 A CB -0.829 18.024 19.000 -0.245 0.000 0.818 65 A HN 0.441 nan 8.150 nan 0.000 0.443 66 L N -0.252 120.535 121.223 -0.727 0.000 2.049 66 L HA 0.201 4.552 4.340 0.020 0.000 0.203 66 L C 0.888 177.624 176.870 -0.224 0.000 1.074 66 L CA 1.013 55.531 54.840 -0.537 0.000 0.749 66 L CB -0.479 41.221 42.059 -0.599 0.000 0.907 66 L HN 0.326 nan 8.230 nan 0.000 0.439 67 L N 1.049 122.159 121.223 -0.190 0.000 2.467 67 L HA 0.060 4.412 4.340 0.020 0.000 0.270 67 L C -0.050 176.802 176.870 -0.031 0.000 1.205 67 L CA -0.642 54.156 54.840 -0.071 0.000 0.828 67 L CB -0.261 41.786 42.059 -0.020 0.000 1.101 67 L HN 0.172 nan 8.230 nan 0.000 0.479 68 D N 1.697 122.095 120.400 -0.004 0.000 2.571 68 D HA -0.081 4.571 4.640 0.020 0.000 0.231 68 D C 0.349 176.657 176.300 0.013 0.000 1.133 68 D CA 0.478 54.480 54.000 0.003 0.000 0.862 68 D CB 0.331 41.137 40.800 0.010 0.000 1.179 68 D HN 0.436 nan 8.370 nan 0.000 0.474 69 E N 1.358 121.558 120.200 -0.000 0.000 2.608 69 E HA -0.163 4.199 4.350 0.020 0.000 0.259 69 E C -0.060 176.539 176.600 -0.002 0.000 0.951 69 E CA 0.275 56.671 56.400 -0.008 0.000 0.945 69 E CB 0.232 29.920 29.700 -0.020 0.000 0.916 69 E HN 0.317 nan 8.360 nan 0.000 0.477 70 D N 1.722 122.117 120.400 -0.008 0.000 3.046 70 D HA -0.206 4.446 4.640 0.020 0.000 0.210 70 D C 0.794 177.113 176.300 0.032 0.000 1.124 70 D CA 1.348 55.345 54.000 -0.005 0.000 0.986 70 D CB -1.521 39.267 40.800 -0.021 0.000 1.118 70 D HN 0.499 nan 8.370 nan 0.000 0.416 71 S N -0.918 114.823 115.700 0.069 0.000 2.528 71 S HA 0.048 4.530 4.470 0.020 0.000 0.219 71 S C 0.550 175.213 174.600 0.104 0.000 0.985 71 S CA -0.436 57.809 58.200 0.075 0.000 0.914 71 S CB 0.063 63.310 63.200 0.079 0.000 0.776 71 S HN 0.230 nan 8.310 nan 0.000 0.526 72 F N 3.237 123.175 119.950 -0.020 0.000 2.495 72 F HA 0.506 5.045 4.527 0.020 0.000 0.365 72 F C -0.515 175.202 175.800 -0.138 0.000 1.090 72 F CA -1.106 56.865 58.000 -0.048 0.000 1.235 72 F CB 0.905 39.955 39.000 0.083 0.000 1.119 72 F HN -0.096 nan 8.300 nan 0.000 0.562 73 V N 6.567 125.895 119.914 -0.977 0.000 2.407 73 V HA 0.230 4.362 4.120 0.020 0.000 0.291 73 V C -0.208 175.012 176.094 -1.456 0.000 1.018 73 V CA -0.998 60.667 62.300 -1.057 0.000 0.842 73 V CB 1.306 32.451 31.823 -1.129 0.000 0.996 73 V HN 0.744 nan 8.190 nan 0.000 0.426 74 E N 4.277 123.777 120.200 -1.167 0.000 2.331 74 E HA 0.544 4.905 4.350 0.020 0.000 0.272 74 E C -1.156 175.230 176.600 -0.356 0.000 1.036 74 E CA -0.446 55.479 56.400 -0.791 0.000 0.864 74 E CB 1.045 30.557 29.700 -0.313 0.000 1.035 74 E HN 0.580 nan 8.360 nan 0.000 0.408 75 L N 3.432 124.552 121.223 -0.172 0.000 2.331 75 L HA 0.270 4.622 4.340 0.020 0.000 0.275 75 L C -0.282 176.580 176.870 -0.014 0.000 1.022 75 L CA -0.820 53.990 54.840 -0.050 0.000 0.812 75 L CB 1.426 43.501 42.059 0.027 0.000 1.257 75 L HN 0.695 nan 8.230 nan 0.000 0.435 76 D N 1.263 121.658 120.400 -0.009 0.000 2.737 76 D HA -0.248 4.404 4.640 0.020 0.000 0.233 76 D C 1.240 177.541 176.300 0.002 0.000 1.155 76 D CA 1.041 55.042 54.000 0.001 0.000 0.667 76 D CB -0.760 40.049 40.800 0.014 0.000 1.060 76 D HN 0.752 nan 8.370 nan 0.000 0.427 77 A N -0.362 122.451 122.820 -0.011 0.000 1.940 77 A HA -0.098 4.234 4.320 0.020 0.000 0.219 77 A C 2.080 179.660 177.584 -0.006 0.000 1.176 77 A CA 1.274 53.308 52.037 -0.005 0.000 0.631 77 A CB -0.176 18.813 19.000 -0.019 0.000 0.814 77 A HN 0.462 nan 8.150 nan 0.000 0.446 78 L N -0.938 120.278 121.223 -0.012 0.000 2.818 78 L HA 0.378 4.729 4.340 0.020 0.000 0.243 78 L C 0.920 177.789 176.870 -0.001 0.000 1.185 78 L CA -0.259 54.573 54.840 -0.013 0.000 0.988 78 L CB -0.299 41.745 42.059 -0.025 0.000 1.292 78 L HN 0.290 nan 8.230 nan 0.000 0.519 79 A N 1.125 123.951 122.820 0.010 0.000 2.483 79 A HA 0.372 4.704 4.320 0.020 0.000 0.238 79 A C 0.129 177.736 177.584 0.038 0.000 1.070 79 A CA 0.531 52.581 52.037 0.023 0.000 0.770 79 A CB 0.278 19.297 19.000 0.032 0.000 1.008 79 A HN 0.344 nan 8.150 nan 0.000 0.497 80 K N 0.652 121.073 120.400 0.034 0.000 2.469 80 K HA 0.305 4.637 4.320 0.020 0.000 0.254 80 K C -0.377 176.252 176.600 0.047 0.000 0.939 80 K CA -0.760 55.547 56.287 0.032 0.000 0.812 80 K CB 1.659 34.137 32.500 -0.037 0.000 1.301 80 K HN 1.009 nan 8.250 nan 0.000 0.433 81 H N 1.715 120.830 119.070 0.075 0.000 2.757 81 H HA 0.126 4.694 4.556 0.021 0.000 0.370 81 H C -0.209 175.130 175.328 0.018 0.000 1.172 81 H CA 0.105 56.177 56.048 0.040 0.000 1.426 81 H CB 0.977 30.755 29.762 0.026 0.000 1.438 81 H HN 0.719 nan 8.280 nan 0.000 0.612 82 R N 1.804 122.402 120.500 0.163 0.000 2.629 82 R HA 0.241 4.593 4.340 0.020 0.000 0.408 82 R C -0.458 175.919 176.300 0.128 0.000 1.057 82 R CA -0.532 55.606 56.100 0.062 0.000 1.119 82 R CB 0.168 30.485 30.300 0.028 0.000 1.403 82 R HN 0.319 nan 8.270 nan 0.000 0.576 83 S N 0.961 116.876 115.700 0.358 0.000 2.562 83 S HA 0.170 4.652 4.470 0.020 0.000 0.275 83 S C 0.884 175.577 174.600 0.156 0.000 1.281 83 S CA -0.153 58.151 58.200 0.173 0.000 1.045 83 S CB 1.323 64.524 63.200 0.003 0.000 0.962 83 S HN 0.439 nan 8.310 nan 0.000 0.503 84 T N 0.863 115.441 114.554 0.040 0.000 3.040 84 T HA 0.265 4.626 4.350 0.020 0.000 0.266 84 T C 0.208 174.881 174.700 -0.045 0.000 1.005 84 T CA -0.424 61.687 62.100 0.018 0.000 0.906 84 T CB -0.664 68.199 68.868 -0.008 0.000 1.082 84 T HN 0.614 nan 8.240 nan 0.000 0.531 85 N N 1.872 120.515 118.700 -0.096 0.000 2.454 85 N HA 0.253 5.005 4.740 0.020 0.000 0.254 85 N C -0.832 174.611 175.510 -0.112 0.000 1.228 85 N CA -0.458 52.446 53.050 -0.242 0.000 0.900 85 N CB -0.134 38.206 38.487 -0.245 0.000 1.089 85 N HN 0.116 nan 8.380 nan 0.000 0.449 86 F N 1.374 121.309 119.950 -0.026 0.000 2.943 86 F HA -0.317 4.222 4.527 0.019 0.000 0.258 86 F C 0.460 176.257 175.800 -0.005 0.000 0.995 86 F CA 0.154 58.141 58.000 -0.021 0.000 0.896 86 F CB -2.158 36.819 39.000 -0.038 0.000 0.821 86 F HN 0.686 nan 8.300 nan 0.000 0.828 87 N N -2.480 116.302 118.700 0.136 0.000 2.863 87 N HA -0.274 4.478 4.740 0.020 0.000 0.245 87 N C 1.169 176.760 175.510 0.134 0.000 1.001 87 N CA 1.214 54.335 53.050 0.118 0.000 0.901 87 N CB -1.350 37.207 38.487 0.117 0.000 1.124 87 N HN 0.588 nan 8.380 nan 0.000 0.582 88 L N 0.363 121.664 121.223 0.130 0.000 2.127 88 L HA -0.122 4.230 4.340 0.020 0.000 0.211 88 L C 2.560 179.616 176.870 0.309 0.000 1.089 88 L CA 1.902 56.826 54.840 0.140 0.000 0.757 88 L CB -0.660 41.377 42.059 -0.037 0.000 0.899 88 L HN 0.420 nan 8.230 nan 0.000 0.434 89 G N -0.587 108.346 108.800 0.223 0.000 2.479 89 G HA2 -0.244 3.728 3.960 0.020 0.000 0.220 89 G HA3 -0.244 3.728 3.960 0.020 0.000 0.220 89 G C 1.359 176.325 174.900 0.110 0.000 1.115 89 G CA 0.440 45.629 45.100 0.148 0.000 0.757 89 G HN 0.443 nan 8.290 nan 0.000 0.560 90 E N -0.703 119.578 120.200 0.134 0.000 2.358 90 E HA 0.080 4.442 4.350 0.020 0.000 0.195 90 E C 0.570 177.246 176.600 0.126 0.000 1.010 90 E CA 0.398 56.862 56.400 0.106 0.000 0.856 90 E CB 0.163 29.920 29.700 0.095 0.000 0.795 90 E HN 0.200 nan 8.360 nan 0.000 0.504 91 K N 0.682 121.211 120.400 0.215 0.000 2.640 91 K HA 0.309 4.640 4.320 0.020 0.000 0.245 91 K C -1.040 175.781 176.600 0.368 0.000 0.962 91 K CA -0.339 56.093 56.287 0.242 0.000 0.896 91 K CB 1.159 33.801 32.500 0.237 0.000 1.147 91 K HN -0.138 nan 8.250 nan 0.000 0.445 92 R N 3.431 124.029 120.500 0.162 0.000 2.651 92 R HA 0.245 4.597 4.340 0.020 0.000 0.282 92 R C -2.622 173.735 176.300 0.095 0.000 1.565 92 R CA -1.881 54.274 56.100 0.092 0.000 1.661 92 R CB 0.760 30.941 30.300 -0.198 0.000 1.189 92 R HN 0.275 nan 8.270 nan 0.000 0.621 93 P HA -0.011 nan 4.420 nan 0.000 0.268 93 P C 0.044 177.380 177.300 0.061 0.000 1.204 93 P CA -0.061 63.069 63.100 0.051 0.000 0.768 93 P CB 0.687 32.380 31.700 -0.012 0.000 0.842 94 L N 2.374 123.609 121.223 0.021 0.000 2.540 94 L HA 0.171 4.523 4.340 0.020 0.000 0.276 94 L C 1.816 178.700 176.870 0.022 0.000 1.212 94 L CA 1.179 56.027 54.840 0.013 0.000 0.893 94 L CB -0.777 41.272 42.059 -0.017 0.000 1.138 94 L HN 0.842 nan 8.230 nan 0.000 0.491 95 G N 1.774 110.594 108.800 0.034 0.000 2.241 95 G HA2 -0.340 3.632 3.960 0.020 0.000 0.244 95 G HA3 -0.340 3.632 3.960 0.020 0.000 0.244 95 G C 0.503 175.444 174.900 0.068 0.000 0.998 95 G CA 0.329 45.451 45.100 0.035 0.000 0.621 95 G HN 0.834 nan 8.290 nan 0.000 0.519 96 D N -1.488 118.988 120.400 0.127 0.000 2.945 96 D HA 0.124 4.776 4.640 0.020 0.000 0.225 96 D C 1.841 178.318 176.300 0.295 0.000 1.158 96 D CA 3.309 57.453 54.000 0.241 0.000 0.805 96 D CB -1.293 39.657 40.800 0.249 0.000 1.098 96 D HN 2.231 nan 8.370 nan 0.000 0.426 97 G N -2.669 106.233 108.800 0.170 0.000 2.163 97 G HA2 -0.031 3.941 3.960 0.020 0.000 0.213 97 G HA3 -0.031 3.941 3.960 0.020 0.000 0.213 97 G C 0.115 174.965 174.900 -0.084 0.000 0.991 97 G CA 0.241 45.450 45.100 0.181 0.000 0.653 97 G HN 1.223 nan 8.290 nan 0.000 0.518 98 V N 0.116 119.899 119.914 -0.218 0.000 2.932 98 V HA 0.717 4.849 4.120 0.020 0.000 0.307 98 V C -0.741 175.280 176.094 -0.121 0.000 1.147 98 V CA -0.590 61.509 62.300 -0.334 0.000 0.951 98 V CB 2.382 33.714 31.823 -0.819 0.000 1.031 98 V HN 0.598 nan 8.190 nan 0.000 0.426 99 V N 5.382 125.264 119.914 -0.052 0.000 2.417 99 V HA 0.771 4.902 4.120 0.020 0.000 0.291 99 V C 0.196 176.354 176.094 0.107 0.000 1.024 99 V CA -0.023 62.290 62.300 0.022 0.000 0.861 99 V CB 1.720 33.523 31.823 -0.034 0.000 0.985 99 V HN 1.070 nan 8.190 nan 0.000 0.436 100 T N 1.154 115.821 114.554 0.187 0.000 2.906 100 T HA 0.990 5.351 4.350 0.020 0.000 0.295 100 T C -0.033 174.849 174.700 0.303 0.000 1.075 100 T CA -0.054 62.192 62.100 0.243 0.000 1.005 100 T CB 2.348 71.306 68.868 0.150 0.000 1.136 100 T HN 1.375 nan 8.240 nan 0.000 0.498 101 G N 0.371 109.358 108.800 0.312 0.000 2.455 101 G HA2 0.469 4.440 3.960 0.020 0.000 0.223 101 G HA3 0.469 4.440 3.960 0.020 0.000 0.223 101 G C -1.988 173.077 174.900 0.275 0.000 1.226 101 G CA -0.256 44.906 45.100 0.102 0.000 0.948 101 G HN 1.459 nan 8.290 nan 0.000 0.478 102 Y N -1.700 118.622 120.300 0.037 0.000 2.655 102 Y HA 0.908 5.469 4.550 0.019 0.000 0.336 102 Y C 0.371 176.359 175.900 0.147 0.000 1.154 102 Y CA -0.483 57.678 58.100 0.103 0.000 1.055 102 Y CB 1.378 39.856 38.460 0.031 0.000 1.295 102 Y HN 1.792 nan 8.280 nan 0.000 0.465 103 G N -0.128 108.858 108.800 0.311 0.000 2.450 103 G HA2 0.519 4.490 3.960 0.020 0.000 0.273 103 G HA3 0.519 4.490 3.960 0.020 0.000 0.273 103 G C -1.456 173.543 174.900 0.165 0.000 1.221 103 G CA -0.359 44.870 45.100 0.213 0.000 0.900 103 G HN 1.237 nan 8.290 nan 0.000 0.483 104 T N -1.857 112.761 114.554 0.107 0.000 2.906 104 T HA 0.765 5.126 4.350 0.020 0.000 0.295 104 T C -0.965 173.754 174.700 0.032 0.000 1.061 104 T CA -0.600 61.539 62.100 0.065 0.000 1.000 104 T CB 1.978 70.876 68.868 0.051 0.000 1.103 104 T HN 0.593 nan 8.240 nan 0.000 0.486 105 I N 2.089 122.667 120.570 0.012 0.000 2.439 105 I HA 0.287 4.469 4.170 0.020 0.000 0.285 105 I C -0.582 175.525 176.117 -0.017 0.000 1.021 105 I CA -0.666 60.628 61.300 -0.010 0.000 1.091 105 I CB 1.526 39.512 38.000 -0.023 0.000 1.242 105 I HN 0.786 nan 8.210 nan 0.000 0.439 106 D N 5.614 126.003 120.400 -0.018 0.000 2.686 106 D HA -0.211 4.440 4.640 0.020 0.000 0.235 106 D C 1.122 177.412 176.300 -0.016 0.000 1.160 106 D CA 1.599 55.586 54.000 -0.022 0.000 0.645 106 D CB -0.801 39.979 40.800 -0.032 0.000 1.039 106 D HN 1.159 nan 8.370 nan 0.000 0.423 107 G N -0.597 108.199 108.800 -0.006 0.000 2.176 107 G HA2 -0.368 3.604 3.960 0.020 0.000 0.253 107 G HA3 -0.368 3.604 3.960 0.020 0.000 0.253 107 G C 0.359 175.262 174.900 0.005 0.000 0.979 107 G CA 0.433 45.533 45.100 -0.000 0.000 0.641 107 G HN 0.523 nan 8.290 nan 0.000 0.530 108 R N 0.732 121.233 120.500 0.003 0.000 2.514 108 R HA 0.500 4.852 4.340 0.020 0.000 0.301 108 R C -0.854 175.457 176.300 0.018 0.000 0.962 108 R CA -0.912 55.191 56.100 0.004 0.000 0.882 108 R CB 0.944 31.238 30.300 -0.011 0.000 1.143 108 R HN 0.111 nan 8.270 nan 0.000 0.452 109 D N 1.239 121.655 120.400 0.026 0.000 2.414 109 D HA 0.193 4.844 4.640 0.020 0.000 0.242 109 D C -0.609 175.718 176.300 0.046 0.000 1.129 109 D CA 0.278 54.309 54.000 0.051 0.000 0.885 109 D CB 1.374 42.198 40.800 0.040 0.000 1.198 109 D HN -0.003 nan 8.370 nan 0.000 0.437 110 V N 1.962 121.926 119.914 0.083 0.000 2.932 110 V HA 0.224 4.356 4.120 0.020 0.000 0.307 110 V C -0.535 175.638 176.094 0.132 0.000 1.147 110 V CA -0.703 61.641 62.300 0.073 0.000 0.951 110 V CB 2.176 34.027 31.823 0.046 0.000 1.031 110 V HN 0.747 nan 8.190 nan 0.000 0.426 111 C N 5.370 124.739 119.300 0.116 0.000 2.364 111 C HA 0.799 5.271 4.460 0.020 0.000 0.356 111 C C 0.008 175.082 174.990 0.140 0.000 1.201 111 C CA -0.627 58.492 59.018 0.168 0.000 2.227 111 C CB 0.763 28.594 27.740 0.152 0.000 2.387 111 C HN 0.802 nan 8.230 nan 0.000 0.546 112 I N 1.676 122.357 120.570 0.184 0.000 2.841 112 I HA 0.686 4.867 4.170 0.020 0.000 0.298 112 I C -1.387 174.837 176.117 0.179 0.000 1.304 112 I CA -0.560 60.794 61.300 0.090 0.000 1.019 112 I CB 1.503 39.515 38.000 0.020 0.000 1.282 112 I HN 0.800 nan 8.210 nan 0.000 0.432 113 F N 4.014 123.985 119.950 0.035 0.000 2.588 113 F HA 0.839 5.378 4.527 0.019 0.000 0.314 113 F C -1.072 174.705 175.800 -0.039 0.000 1.069 113 F CA -0.876 57.124 58.000 0.000 0.000 0.931 113 F CB 1.893 40.893 39.000 0.001 0.000 1.260 113 F HN 0.297 nan 8.300 nan 0.000 0.465 114 S N 1.877 117.667 115.700 0.151 0.000 2.750 114 S HA 0.338 4.820 4.470 0.020 0.000 0.276 114 S C -1.354 173.281 174.600 0.058 0.000 1.165 114 S CA -0.546 57.673 58.200 0.031 0.000 1.047 114 S CB 0.998 64.131 63.200 -0.111 0.000 1.056 114 S HN 0.813 nan 8.310 nan 0.000 0.481 115 Q N 2.342 122.213 119.800 0.119 0.000 2.327 115 Q HA 0.276 4.628 4.340 0.020 0.000 0.254 115 Q C -0.862 175.178 176.000 0.066 0.000 0.952 115 Q CA -0.278 55.569 55.803 0.073 0.000 0.884 115 Q CB 0.812 29.680 28.738 0.218 0.000 1.224 115 Q HN 0.529 nan 8.270 nan 0.000 0.422 116 D N 1.024 121.459 120.400 0.058 0.000 2.454 116 D HA 0.266 4.917 4.640 0.020 0.000 0.225 116 D C -0.127 176.227 176.300 0.090 0.000 1.081 116 D CA -0.330 53.702 54.000 0.053 0.000 0.864 116 D CB 1.259 42.072 40.800 0.020 0.000 1.040 116 D HN 0.634 nan 8.370 nan 0.000 0.517 117 A N 2.693 125.560 122.820 0.079 0.000 2.239 117 A HA -0.061 4.271 4.320 0.020 0.000 0.209 117 A C 1.815 179.430 177.584 0.052 0.000 1.171 117 A CA 1.308 53.395 52.037 0.084 0.000 0.768 117 A CB -0.393 18.653 19.000 0.076 0.000 0.790 117 A HN 0.583 nan 8.150 nan 0.000 0.478 118 T N -3.493 111.075 114.554 0.023 0.000 3.067 118 T HA 0.199 4.561 4.350 0.020 0.000 0.257 118 T C 0.351 175.019 174.700 -0.054 0.000 1.105 118 T CA 0.430 62.522 62.100 -0.013 0.000 1.104 118 T CB -0.273 68.579 68.868 -0.027 0.000 0.925 118 T HN -0.011 nan 8.240 nan 0.000 0.498 119 V N 3.007 122.901 119.914 -0.033 0.000 2.333 119 V HA 0.385 4.517 4.120 0.020 0.000 0.274 119 V C -0.228 175.852 176.094 -0.025 0.000 1.028 119 V CA -1.034 61.186 62.300 -0.134 0.000 0.851 119 V CB -0.735 31.063 31.823 -0.041 0.000 1.000 119 V HN 0.520 nan 8.190 nan 0.000 0.456 120 F N 3.416 123.393 119.950 0.045 0.000 2.970 120 F HA -0.234 4.305 4.527 0.019 0.000 0.251 120 F C 1.714 177.521 175.800 0.012 0.000 0.993 120 F CA 1.005 59.014 58.000 0.015 0.000 0.869 120 F CB -1.839 37.150 39.000 -0.017 0.000 0.762 120 F HN 0.894 nan 8.300 nan 0.000 0.817 121 G N -0.921 107.954 108.800 0.125 0.000 2.212 121 G HA2 0.083 4.055 3.960 0.020 0.000 0.267 121 G HA3 0.083 4.055 3.960 0.020 0.000 0.267 121 G C 1.552 176.521 174.900 0.116 0.000 1.002 121 G CA 1.175 46.336 45.100 0.101 0.000 0.729 121 G HN 2.286 nan 8.290 nan 0.000 0.517 122 G N -2.018 106.879 108.800 0.162 0.000 2.148 122 G HA2 -0.091 3.880 3.960 0.020 0.000 0.254 122 G HA3 -0.091 3.880 3.960 0.020 0.000 0.254 122 G C 0.512 175.503 174.900 0.152 0.000 0.981 122 G CA 0.849 46.083 45.100 0.224 0.000 0.670 122 G HN 1.695 nan 8.290 nan 0.000 0.528 123 S N -0.259 115.455 115.700 0.024 0.000 2.549 123 S HA 0.434 4.916 4.470 0.020 0.000 0.283 123 S C 0.586 174.853 174.600 -0.555 0.000 1.320 123 S CA -0.291 57.792 58.200 -0.194 0.000 1.058 123 S CB 1.395 64.526 63.200 -0.114 0.000 0.882 123 S HN 0.726 nan 8.310 nan 0.000 0.498 124 L N 3.879 124.627 121.223 -0.792 0.000 2.360 124 L HA 0.543 4.895 4.340 0.020 0.000 0.276 124 L C 0.641 177.078 176.870 -0.721 0.000 1.121 124 L CA 0.011 54.117 54.840 -1.223 0.000 0.845 124 L CB -0.004 41.624 42.059 -0.718 0.000 1.143 124 L HN 0.688 nan 8.230 nan 0.000 0.452 125 G N 2.640 111.081 108.800 -0.597 0.000 2.667 125 G HA2 0.186 4.158 3.960 0.020 0.000 0.310 125 G HA3 0.186 4.158 3.960 0.020 0.000 0.310 125 G C 0.217 175.005 174.900 -0.187 0.000 1.259 125 G CA -0.115 44.785 45.100 -0.333 0.000 1.019 125 G HN 0.810 nan 8.290 nan 0.000 0.496 126 E N -1.017 119.102 120.200 -0.135 0.000 2.065 126 E HA -0.200 4.161 4.350 0.020 0.000 0.201 126 E C 2.347 178.948 176.600 0.002 0.000 1.016 126 E CA 1.927 58.284 56.400 -0.071 0.000 0.818 126 E CB -0.098 29.569 29.700 -0.056 0.000 0.749 126 E HN 0.194 nan 8.360 nan 0.000 0.453 127 V N 0.324 120.268 119.914 0.049 0.000 2.270 127 V HA -0.241 3.891 4.120 0.020 0.000 0.245 127 V C 2.166 178.343 176.094 0.138 0.000 1.043 127 V CA 1.965 64.317 62.300 0.087 0.000 1.014 127 V CB -0.875 31.012 31.823 0.106 0.000 0.645 127 V HN 0.446 nan 8.190 nan 0.000 0.447 128 Y N 2.213 122.514 120.300 0.002 0.000 2.132 128 Y HA -0.303 4.258 4.550 0.019 0.000 0.280 128 Y C 2.229 178.094 175.900 -0.059 0.000 1.193 128 Y CA 1.833 59.926 58.100 -0.011 0.000 1.157 128 Y CB -0.989 37.469 38.460 -0.004 0.000 0.966 128 Y HN 0.187 nan 8.280 nan 0.000 0.511 129 G N -0.717 108.238 108.800 0.259 0.000 2.394 129 G HA2 -0.195 3.777 3.960 0.020 0.000 0.215 129 G HA3 -0.195 3.777 3.960 0.020 0.000 0.215 129 G C 1.517 176.433 174.900 0.026 0.000 1.165 129 G CA 0.691 45.858 45.100 0.112 0.000 0.784 129 G HN 0.511 nan 8.290 nan 0.000 0.535 130 E N 0.431 120.647 120.200 0.027 0.000 2.130 130 E HA -0.156 4.206 4.350 0.020 0.000 0.196 130 E C 2.494 179.098 176.600 0.007 0.000 0.998 130 E CA 1.084 57.490 56.400 0.011 0.000 0.806 130 E CB -0.061 29.649 29.700 0.017 0.000 0.738 130 E HN 0.389 nan 8.360 nan 0.000 0.459 131 K N 0.322 120.728 120.400 0.010 0.000 2.057 131 K HA -0.114 4.218 4.320 0.020 0.000 0.207 131 K C 2.157 178.737 176.600 -0.034 0.000 1.049 131 K CA 1.056 57.339 56.287 -0.006 0.000 0.931 131 K CB -0.091 32.398 32.500 -0.017 0.000 0.714 131 K HN 0.129 nan 8.250 nan 0.000 0.440 132 I N 0.628 121.132 120.570 -0.110 0.000 2.179 132 I HA -0.275 3.907 4.170 0.020 0.000 0.242 132 I C 2.218 178.285 176.117 -0.083 0.000 1.088 132 I CA 1.010 62.179 61.300 -0.219 0.000 1.357 132 I CB -0.341 37.357 38.000 -0.503 0.000 1.051 132 I HN -0.069 nan 8.210 nan 0.000 0.409 133 V N 1.200 121.082 119.914 -0.054 0.000 2.324 133 V HA -0.362 3.770 4.120 0.020 0.000 0.250 133 V C 2.568 178.671 176.094 0.014 0.000 1.060 133 V CA 2.194 64.485 62.300 -0.015 0.000 1.042 133 V CB -0.760 31.054 31.823 -0.015 0.000 0.650 133 V HN 0.444 nan 8.190 nan 0.000 0.450 134 K N 0.280 120.691 120.400 0.018 0.000 2.032 134 K HA -0.196 4.136 4.320 0.020 0.000 0.209 134 K C 2.028 178.662 176.600 0.057 0.000 1.048 134 K CA 2.200 58.507 56.287 0.034 0.000 0.927 134 K CB -0.197 32.324 32.500 0.035 0.000 0.712 134 K HN 0.518 nan 8.250 nan 0.000 0.441 135 V N -1.322 118.642 119.914 0.083 0.000 2.719 135 V HA -0.129 4.003 4.120 0.020 0.000 0.252 135 V C 1.951 178.120 176.094 0.125 0.000 1.065 135 V CA 1.065 63.441 62.300 0.127 0.000 1.086 135 V CB -0.596 31.345 31.823 0.197 0.000 0.700 135 V HN 0.293 nan 8.190 nan 0.000 0.467 136 Q N 0.745 120.612 119.800 0.112 0.000 2.050 136 Q HA -0.181 4.171 4.340 0.020 0.000 0.202 136 Q C 2.332 178.377 176.000 0.075 0.000 0.980 136 Q CA 2.127 57.996 55.803 0.110 0.000 0.840 136 Q CB -0.277 28.518 28.738 0.094 0.000 0.898 136 Q HN 0.748 nan 8.270 nan 0.000 0.424 137 E N 0.549 120.781 120.200 0.054 0.000 2.110 137 E HA -0.193 4.168 4.350 0.020 0.000 0.193 137 E C 1.980 178.596 176.600 0.028 0.000 0.988 137 E CA 0.703 57.125 56.400 0.037 0.000 0.804 137 E CB -0.077 29.639 29.700 0.026 0.000 0.745 137 E HN 0.150 nan 8.360 nan 0.000 0.458 138 L N 1.068 122.308 121.223 0.029 0.000 2.046 138 L HA -0.114 4.238 4.340 0.020 0.000 0.208 138 L C 2.243 179.116 176.870 0.006 0.000 1.077 138 L CA 1.943 56.785 54.840 0.004 0.000 0.747 138 L CB -0.674 41.388 42.059 0.005 0.000 0.896 138 L HN 0.026 nan 8.230 nan 0.000 0.432 139 A N -0.477 122.367 122.820 0.041 0.000 1.902 139 A HA -0.193 4.138 4.320 0.020 0.000 0.217 139 A C 2.294 179.901 177.584 0.039 0.000 1.181 139 A CA 2.161 54.225 52.037 0.046 0.000 0.623 139 A CB -0.831 18.216 19.000 0.078 0.000 0.818 139 A HN 0.491 nan 8.150 nan 0.000 0.443 140 I N -0.834 119.764 120.570 0.045 0.000 2.252 140 I HA -0.219 3.962 4.170 0.020 0.000 0.245 140 I C 2.540 178.674 176.117 0.028 0.000 1.102 140 I CA 1.654 62.982 61.300 0.045 0.000 1.385 140 I CB -0.186 37.843 38.000 0.048 0.000 1.064 140 I HN 0.345 nan 8.210 nan 0.000 0.414 141 K N 0.561 120.970 120.400 0.016 0.000 2.063 141 K HA -0.209 4.123 4.320 0.020 0.000 0.208 141 K C 1.987 178.583 176.600 -0.006 0.000 1.048 141 K CA 2.124 58.413 56.287 0.002 0.000 0.928 141 K CB -0.089 32.406 32.500 -0.008 0.000 0.713 141 K HN 0.437 nan 8.250 nan 0.000 0.442 142 T N -3.220 111.325 114.554 -0.014 0.000 3.081 142 T HA 0.144 4.506 4.350 0.020 0.000 0.255 142 T C 1.085 175.781 174.700 -0.007 0.000 1.113 142 T CA 0.440 62.525 62.100 -0.026 0.000 1.082 142 T CB 0.155 68.988 68.868 -0.058 0.000 0.939 142 T HN 0.359 nan 8.240 nan 0.000 0.506 143 G N 2.127 110.934 108.800 0.012 0.000 2.272 143 G HA2 -0.195 3.777 3.960 0.020 0.000 0.280 143 G HA3 -0.195 3.777 3.960 0.020 0.000 0.280 143 G C -0.178 174.737 174.900 0.025 0.000 1.067 143 G CA -0.389 44.729 45.100 0.029 0.000 0.902 143 G HN 0.585 nan 8.290 nan 0.000 0.500 144 R N -0.761 119.751 120.500 0.021 0.000 2.803 144 R HA 0.570 4.921 4.340 0.020 0.000 0.276 144 R C -2.660 173.650 176.300 0.017 0.000 0.978 144 R CA -2.445 53.663 56.100 0.012 0.000 0.939 144 R CB 1.070 31.374 30.300 0.006 0.000 1.179 144 R HN 0.046 nan 8.270 nan 0.000 0.472 145 P HA 0.079 nan 4.420 nan 0.000 0.269 145 P C -0.650 176.664 177.300 0.024 0.000 1.209 145 P CA -0.338 62.753 63.100 -0.014 0.000 0.776 145 P CB 0.492 32.161 31.700 -0.051 0.000 0.876 146 L N 4.207 125.453 121.223 0.038 0.000 2.305 146 L HA 0.484 4.836 4.340 0.020 0.000 0.284 146 L C -1.020 175.860 176.870 0.017 0.000 1.013 146 L CA -0.336 54.540 54.840 0.060 0.000 0.819 146 L CB 0.556 42.685 42.059 0.116 0.000 1.227 146 L HN 0.158 nan 8.230 nan 0.000 0.417 147 I N 4.493 125.041 120.570 -0.037 0.000 2.385 147 I HA 0.654 4.836 4.170 0.020 0.000 0.294 147 I C 0.725 176.609 176.117 -0.389 0.000 0.988 147 I CA 0.034 61.257 61.300 -0.129 0.000 1.265 147 I CB 1.686 39.623 38.000 -0.105 0.000 1.388 147 I HN 0.727 nan 8.210 nan 0.000 0.480 148 G N 6.490 114.966 108.800 -0.539 0.000 2.530 148 G HA2 0.739 4.711 3.960 0.020 0.000 0.316 148 G HA3 0.739 4.711 3.960 0.020 0.000 0.316 148 G C -0.823 173.681 174.900 -0.661 0.000 1.298 148 G CA -0.437 43.851 45.100 -1.353 0.000 0.948 148 G HN 0.479 nan 8.290 nan 0.000 0.486 149 I N 2.052 122.267 120.570 -0.592 0.000 2.359 149 I HA 0.205 4.387 4.170 0.020 0.000 0.284 149 I C -0.745 175.393 176.117 0.035 0.000 1.018 149 I CA -0.811 60.400 61.300 -0.149 0.000 1.173 149 I CB 1.469 39.423 38.000 -0.075 0.000 1.326 149 I HN 0.329 nan 8.210 nan 0.000 0.462 150 N N 5.021 123.776 118.700 0.091 0.000 2.438 150 N HA 0.509 5.261 4.740 0.020 0.000 0.282 150 N C -0.941 174.662 175.510 0.154 0.000 1.037 150 N CA -0.519 52.649 53.050 0.195 0.000 0.942 150 N CB 1.165 39.758 38.487 0.176 0.000 1.136 150 N HN 0.456 nan 8.380 nan 0.000 0.481 151 D N 0.966 121.492 120.400 0.210 0.000 2.484 151 D HA 0.385 5.037 4.640 0.020 0.000 0.223 151 D C -1.268 175.150 176.300 0.197 0.000 1.350 151 D CA -0.233 53.861 54.000 0.157 0.000 0.940 151 D CB -0.049 40.818 40.800 0.111 0.000 1.525 151 D HN 0.670 nan 8.370 nan 0.000 0.504 152 G N 0.555 109.492 108.800 0.229 0.000 2.519 152 G HA2 0.675 4.647 3.960 0.020 0.000 0.292 152 G HA3 0.675 4.647 3.960 0.020 0.000 0.292 152 G C -0.680 174.316 174.900 0.159 0.000 1.507 152 G CA -0.112 45.092 45.100 0.173 0.000 0.806 152 G HN 0.519 nan 8.290 nan 0.000 0.523 153 A N -0.116 122.754 122.820 0.082 0.000 2.262 153 A HA 0.842 5.174 4.320 0.020 0.000 0.273 153 A C 1.433 179.040 177.584 0.039 0.000 1.202 153 A CA 0.622 52.709 52.037 0.083 0.000 0.811 153 A CB -0.328 18.714 19.000 0.070 0.000 1.159 153 A HN 2.067 nan 8.150 nan 0.000 0.505 154 G N -1.649 107.203 108.800 0.086 0.000 2.590 154 G HA2 0.513 4.485 3.960 0.020 0.000 0.276 154 G HA3 0.513 4.485 3.960 0.020 0.000 0.276 154 G C 0.608 175.507 174.900 -0.001 0.000 1.337 154 G CA 0.109 45.282 45.100 0.122 0.000 1.030 154 G HN 1.633 nan 8.290 nan 0.000 0.534 155 A N -0.640 122.186 122.820 0.011 0.000 2.555 155 A HA 0.240 4.572 4.320 0.020 0.000 0.233 155 A C 0.958 178.401 177.584 -0.234 0.000 1.060 155 A CA 0.094 51.959 52.037 -0.286 0.000 0.759 155 A CB 0.032 18.752 19.000 -0.468 0.000 0.995 155 A HN 0.612 nan 8.150 nan 0.000 0.506 156 R N 2.114 122.429 120.500 -0.309 0.000 2.402 156 R HA 0.099 4.451 4.340 0.020 0.000 0.331 156 R C 0.620 176.789 176.300 -0.219 0.000 1.040 156 R CA -0.017 55.917 56.100 -0.275 0.000 0.980 156 R CB -0.027 30.045 30.300 -0.381 0.000 0.967 156 R HN 0.755 nan 8.270 nan 0.000 0.440 157 I N 2.578 123.054 120.570 -0.157 0.000 2.163 157 I HA -0.351 3.830 4.170 0.020 0.000 0.243 157 I C 1.878 177.953 176.117 -0.070 0.000 1.085 157 I CA 1.466 62.700 61.300 -0.109 0.000 1.347 157 I CB -0.058 37.883 38.000 -0.098 0.000 1.044 157 I HN 0.538 nan 8.210 nan 0.000 0.408 158 Q N 0.652 120.407 119.800 -0.076 0.000 2.197 158 Q HA -0.228 4.124 4.340 0.020 0.000 0.207 158 Q C 1.993 178.017 176.000 0.040 0.000 0.984 158 Q CA 1.450 57.309 55.803 0.093 0.000 0.869 158 Q CB -0.272 28.482 28.738 0.026 0.000 0.906 158 Q HN 0.515 nan 8.270 nan 0.000 0.426 159 E N -0.501 119.627 120.200 -0.120 0.000 2.208 159 E HA 0.042 4.404 4.350 0.020 0.000 0.193 159 E C 0.888 177.429 176.600 -0.098 0.000 0.988 159 E CA 0.469 56.780 56.400 -0.148 0.000 0.828 159 E CB 0.016 29.580 29.700 -0.228 0.000 0.763 159 E HN 0.372 nan 8.360 nan 0.000 0.478 160 G N 0.176 108.931 108.800 -0.075 0.000 2.568 160 G HA2 -0.299 3.673 3.960 0.020 0.000 0.222 160 G HA3 -0.299 3.673 3.960 0.020 0.000 0.222 160 G C 0.678 175.524 174.900 -0.091 0.000 1.321 160 G CA -0.253 44.815 45.100 -0.053 0.000 0.893 160 G HN 0.054 nan 8.290 nan 0.000 0.569 161 V N 0.478 120.351 119.914 -0.068 0.000 2.720 161 V HA -0.137 3.995 4.120 0.020 0.000 0.256 161 V C 2.986 179.023 176.094 -0.095 0.000 1.082 161 V CA 2.164 64.421 62.300 -0.072 0.000 1.101 161 V CB -0.362 31.438 31.823 -0.038 0.000 0.693 161 V HN 1.110 nan 8.190 nan 0.000 0.479 162 V N 1.385 121.240 119.914 -0.099 0.000 2.370 162 V HA -0.321 3.811 4.120 0.020 0.000 0.252 162 V C 2.693 178.688 176.094 -0.165 0.000 1.068 162 V CA 2.887 65.121 62.300 -0.109 0.000 1.061 162 V CB -0.386 31.380 31.823 -0.095 0.000 0.656 162 V HN 0.851 nan 8.190 nan 0.000 0.455 163 S N -0.278 115.282 115.700 -0.233 0.000 2.382 163 S HA -0.143 4.339 4.470 0.020 0.000 0.228 163 S C 1.891 176.195 174.600 -0.493 0.000 1.027 163 S CA 1.839 59.812 58.200 -0.378 0.000 0.991 163 S CB -0.661 62.270 63.200 -0.449 0.000 0.823 163 S HN 0.602 nan 8.310 nan 0.000 0.469 164 L N 1.493 122.507 121.223 -0.348 0.000 2.056 164 L HA 0.074 4.426 4.340 0.020 0.000 0.207 164 L C 3.045 179.873 176.870 -0.070 0.000 1.078 164 L CA 1.093 55.813 54.840 -0.201 0.000 0.749 164 L CB -1.534 40.492 42.059 -0.055 0.000 0.901 164 L HN 0.501 nan 8.230 nan 0.000 0.433 165 G N 0.617 109.370 108.800 -0.079 0.000 2.469 165 G HA2 -0.235 3.737 3.960 0.020 0.000 0.219 165 G HA3 -0.235 3.737 3.960 0.020 0.000 0.219 165 G C 1.583 176.444 174.900 -0.064 0.000 1.150 165 G CA 0.488 45.559 45.100 -0.048 0.000 0.763 165 G HN 0.098 nan 8.290 nan 0.000 0.561 166 L N -0.479 120.681 121.223 -0.105 0.000 2.027 166 L HA -0.008 4.344 4.340 0.020 0.000 0.206 166 L C 2.717 179.531 176.870 -0.093 0.000 1.074 166 L CA 1.205 55.988 54.840 -0.096 0.000 0.745 166 L CB -1.445 40.550 42.059 -0.105 0.000 0.898 166 L HN 0.202 nan 8.230 nan 0.000 0.433 167 Y N 0.693 120.807 120.300 -0.310 0.000 2.062 167 Y HA -0.291 4.270 4.550 0.019 0.000 0.276 167 Y C 3.052 178.377 175.900 -0.958 0.000 1.189 167 Y CA 1.377 59.094 58.100 -0.637 0.000 1.130 167 Y CB -1.171 37.071 38.460 -0.363 0.000 0.959 167 Y HN 0.189 nan 8.280 nan 0.000 0.499 168 S N -0.484 115.091 115.700 -0.208 0.000 2.368 168 S HA -0.167 4.315 4.470 0.020 0.000 0.225 168 S C 2.075 176.642 174.600 -0.056 0.000 1.030 168 S CA 1.132 59.309 58.200 -0.038 0.000 0.999 168 S CB -0.160 63.086 63.200 0.078 0.000 0.844 168 S HN 0.423 nan 8.310 nan 0.000 0.459 169 R N 0.618 121.071 120.500 -0.078 0.000 2.073 169 R HA -0.010 4.342 4.340 0.020 0.000 0.234 169 R C 2.207 178.474 176.300 -0.055 0.000 1.134 169 R CA 1.421 57.495 56.100 -0.044 0.000 0.952 169 R CB -0.553 29.723 30.300 -0.040 0.000 0.850 169 R HN 0.379 nan 8.270 nan 0.000 0.433 170 I N 0.226 120.709 120.570 -0.146 0.000 2.163 170 I HA -0.299 3.883 4.170 0.020 0.000 0.243 170 I C 1.896 178.010 176.117 -0.004 0.000 1.085 170 I CA 1.388 62.613 61.300 -0.125 0.000 1.347 170 I CB -0.287 37.586 38.000 -0.212 0.000 1.044 170 I HN 0.023 nan 8.210 nan 0.000 0.408 171 F N 0.731 120.713 119.950 0.053 0.000 2.102 171 F HA -0.203 4.336 4.527 0.020 0.000 0.298 171 F C 2.692 178.508 175.800 0.026 0.000 1.105 171 F CA 1.425 59.445 58.000 0.035 0.000 1.239 171 F CB -1.207 37.802 39.000 0.016 0.000 0.991 171 F HN -0.024 nan 8.300 nan 0.000 0.474 172 R N 0.580 121.200 120.500 0.200 0.000 2.105 172 R HA -0.159 4.192 4.340 0.020 0.000 0.239 172 R C 2.048 178.400 176.300 0.087 0.000 1.135 172 R CA 1.641 57.811 56.100 0.116 0.000 0.967 172 R CB -0.278 30.069 30.300 0.079 0.000 0.861 172 R HN 0.147 nan 8.270 nan 0.000 0.442 173 N N 0.627 119.375 118.700 0.080 0.000 2.120 173 N HA -0.137 4.615 4.740 0.020 0.000 0.188 173 N C 1.228 176.796 175.510 0.097 0.000 1.024 173 N CA 1.713 54.809 53.050 0.075 0.000 0.852 173 N CB -0.510 38.015 38.487 0.063 0.000 1.003 173 N HN 0.398 nan 8.380 nan 0.000 0.424 174 N N 0.524 119.301 118.700 0.128 0.000 2.137 174 N HA -0.085 4.667 4.740 0.020 0.000 0.190 174 N C 1.690 177.259 175.510 0.098 0.000 1.017 174 N CA 0.933 54.065 53.050 0.136 0.000 0.859 174 N CB -0.093 38.500 38.487 0.178 0.000 1.002 174 N HN 0.233 nan 8.380 nan 0.000 0.428 175 I N 0.029 120.650 120.570 0.084 0.000 2.286 175 I HA -0.172 4.009 4.170 0.020 0.000 0.245 175 I C 2.085 178.223 176.117 0.036 0.000 1.104 175 I CA 0.538 61.864 61.300 0.044 0.000 1.397 175 I CB -0.102 37.915 38.000 0.028 0.000 1.072 175 I HN 0.123 nan 8.210 nan 0.000 0.417 176 L N 0.948 122.198 121.223 0.046 0.000 2.083 176 L HA -0.157 4.195 4.340 0.020 0.000 0.209 176 L C 2.403 179.302 176.870 0.048 0.000 1.083 176 L CA 1.989 56.853 54.840 0.041 0.000 0.752 176 L CB -0.442 41.642 42.059 0.043 0.000 0.899 176 L HN 0.213 nan 8.230 nan 0.000 0.433 177 A N -1.968 120.891 122.820 0.066 0.000 2.169 177 A HA 0.045 4.376 4.320 0.020 0.000 0.212 177 A C 1.476 179.116 177.584 0.093 0.000 1.153 177 A CA 0.552 52.639 52.037 0.084 0.000 0.756 177 A CB -0.533 18.528 19.000 0.102 0.000 0.813 177 A HN 0.349 nan 8.150 nan 0.000 0.471 178 S N -0.027 115.713 115.700 0.066 0.000 2.546 178 S HA 0.358 4.839 4.470 0.020 0.000 0.290 178 S C 1.458 176.064 174.600 0.009 0.000 1.262 178 S CA 0.859 59.089 58.200 0.050 0.000 1.083 178 S CB -0.296 62.913 63.200 0.016 0.000 0.859 178 S HN 1.786 nan 8.310 nan 0.000 0.495 179 G N 3.098 111.900 108.800 0.003 0.000 2.175 179 G HA2 -0.251 3.721 3.960 0.020 0.000 0.265 179 G HA3 -0.251 3.721 3.960 0.020 0.000 0.265 179 G C 0.624 175.375 174.900 -0.248 0.000 0.979 179 G CA 0.513 45.449 45.100 -0.273 0.000 0.663 179 G HN 0.787 nan 8.290 nan 0.000 0.533 180 V N 0.322 120.271 119.914 0.058 0.000 2.627 180 V HA 0.377 4.508 4.120 0.020 0.000 0.239 180 V C 1.326 177.607 176.094 0.312 0.000 1.077 180 V CA 1.698 64.067 62.300 0.115 0.000 1.103 180 V CB 0.008 31.877 31.823 0.076 0.000 0.802 180 V HN 0.682 nan 8.190 nan 0.000 0.482 181 I N -1.715 119.053 120.570 0.330 0.000 2.569 181 I HA 0.603 4.785 4.170 0.020 0.000 0.296 181 I C -2.990 173.246 176.117 0.199 0.000 1.028 181 I CA -2.808 58.647 61.300 0.258 0.000 1.082 181 I CB 1.795 39.866 38.000 0.119 0.000 1.264 181 I HN -0.047 nan 8.210 nan 0.000 0.429 182 P HA 0.109 nan 4.420 nan 0.000 0.264 182 P C -1.345 175.924 177.300 -0.051 0.000 1.193 182 P CA 0.187 63.052 63.100 -0.392 0.000 0.763 182 P CB 0.390 31.744 31.700 -0.578 0.000 0.810 183 Q N 2.626 122.450 119.800 0.041 0.000 2.327 183 Q HA 0.552 4.904 4.340 0.020 0.000 0.270 183 Q C -0.569 175.491 176.000 0.100 0.000 1.022 183 Q CA -0.389 55.460 55.803 0.077 0.000 0.773 183 Q CB 1.734 30.535 28.738 0.106 0.000 1.251 183 Q HN 0.419 nan 8.270 nan 0.000 0.457 184 I N 1.317 121.941 120.570 0.091 0.000 2.433 184 I HA 0.400 4.582 4.170 0.020 0.000 0.292 184 I C -0.394 175.764 176.117 0.069 0.000 1.001 184 I CA -0.692 60.685 61.300 0.129 0.000 1.119 184 I CB 2.116 40.190 38.000 0.123 0.000 1.289 184 I HN 0.446 nan 8.210 nan 0.000 0.438 185 S N 6.834 122.593 115.700 0.098 0.000 2.498 185 S HA 0.574 5.056 4.470 0.020 0.000 0.317 185 S C -0.434 174.205 174.600 0.065 0.000 1.090 185 S CA -0.598 57.634 58.200 0.052 0.000 1.089 185 S CB 1.304 64.549 63.200 0.075 0.000 0.997 185 S HN 0.360 nan 8.310 nan 0.000 0.470 186 L N 4.197 125.437 121.223 0.029 0.000 2.264 186 L HA 0.463 4.814 4.340 0.020 0.000 0.289 186 L C -0.613 176.279 176.870 0.036 0.000 1.044 186 L CA -0.575 54.296 54.840 0.051 0.000 0.807 186 L CB 0.652 42.760 42.059 0.081 0.000 1.192 186 L HN 0.488 nan 8.230 nan 0.000 0.425 187 I N 5.163 125.750 120.570 0.028 0.000 2.312 187 I HA 0.235 4.416 4.170 0.020 0.000 0.290 187 I C 0.473 176.598 176.117 0.013 0.000 1.008 187 I CA 0.032 61.341 61.300 0.016 0.000 1.226 187 I CB 1.279 39.274 38.000 -0.008 0.000 1.371 187 I HN 0.819 nan 8.210 nan 0.000 0.468 188 M N 4.213 123.829 119.600 0.027 0.000 2.347 188 M HA 0.344 4.836 4.480 0.020 0.000 0.324 188 M C 0.663 176.981 176.300 0.030 0.000 1.028 188 M CA -0.054 55.258 55.300 0.020 0.000 0.988 188 M CB 1.618 34.240 32.600 0.037 0.000 1.528 188 M HN 0.701 nan 8.290 nan 0.000 0.550 189 G N 0.467 109.289 108.800 0.037 0.000 2.706 189 G HA2 0.686 4.658 3.960 0.020 0.000 0.307 189 G HA3 0.686 4.658 3.960 0.020 0.000 0.307 189 G C -1.656 173.264 174.900 0.033 0.000 1.307 189 G CA -0.607 44.518 45.100 0.043 0.000 0.790 189 G HN 0.124 nan 8.290 nan 0.000 0.503 190 A N -0.358 122.486 122.820 0.040 0.000 2.438 190 A HA 0.620 4.951 4.320 0.020 0.000 0.280 190 A C 0.613 178.155 177.584 -0.069 0.000 1.160 190 A CA 0.640 52.678 52.037 0.001 0.000 0.821 190 A CB -0.455 18.595 19.000 0.082 0.000 1.101 190 A HN 1.924 nan 8.150 nan 0.000 0.515 191 A N 2.897 125.607 122.820 -0.183 0.000 2.253 191 A HA 0.699 5.030 4.320 0.020 0.000 0.316 191 A C 0.309 177.601 177.584 -0.487 0.000 1.327 191 A CA 0.243 52.166 52.037 -0.189 0.000 0.917 191 A CB 0.260 19.138 19.000 -0.203 0.000 1.162 191 A HN 1.952 nan 8.150 nan 0.000 0.535 192 A N 2.222 124.883 122.820 -0.265 0.000 2.401 192 A HA 0.981 5.312 4.320 0.020 0.000 0.310 192 A C 0.460 178.050 177.584 0.010 0.000 1.075 192 A CA 0.106 51.906 52.037 -0.394 0.000 0.746 192 A CB 1.071 19.902 19.000 -0.283 0.000 1.277 192 A HN 2.805 nan 8.150 nan 0.000 0.425 193 G N 0.149 108.944 108.800 -0.009 0.000 2.582 193 G HA2 0.308 4.280 3.960 0.020 0.000 0.222 193 G HA3 0.308 4.280 3.960 0.020 0.000 0.222 193 G C 0.899 175.828 174.900 0.049 0.000 1.311 193 G CA 0.218 45.395 45.100 0.128 0.000 0.915 193 G HN 1.890 nan 8.290 nan 0.000 0.528 194 G N -0.940 107.963 108.800 0.171 0.000 2.443 194 G HA2 0.053 4.025 3.960 0.020 0.000 0.219 194 G HA3 0.053 4.025 3.960 0.020 0.000 0.219 194 G C 1.324 176.158 174.900 -0.109 0.000 1.131 194 G CA 1.924 47.063 45.100 0.066 0.000 0.775 194 G HN 1.691 nan 8.290 nan 0.000 0.547 195 H N -0.191 118.620 119.070 -0.432 0.000 2.518 195 H HA 0.039 4.607 4.556 0.020 0.000 0.289 195 H C 2.225 177.516 175.328 -0.063 0.000 1.051 195 H CA 0.926 56.782 56.048 -0.320 0.000 1.280 195 H CB -0.362 29.242 29.762 -0.263 0.000 1.380 195 H HN 0.229 nan 8.280 nan 0.000 0.566 196 V N -1.823 117.759 119.914 -0.554 0.000 3.026 196 V HA -0.242 3.890 4.120 0.020 0.000 0.265 196 V C 1.525 177.421 176.094 -0.330 0.000 1.121 196 V CA 1.119 63.120 62.300 -0.499 0.000 1.142 196 V CB -1.277 30.223 31.823 -0.538 0.000 0.730 196 V HN 0.291 nan 8.190 nan 0.000 0.503 197 Y N 1.197 121.364 120.300 -0.221 0.000 2.373 197 Y HA -0.023 4.539 4.550 0.019 0.000 0.293 197 Y C 3.056 178.848 175.900 -0.180 0.000 1.129 197 Y CA 1.089 58.994 58.100 -0.325 0.000 1.226 197 Y CB -0.792 37.223 38.460 -0.742 0.000 1.000 197 Y HN 0.408 nan 8.280 nan 0.000 0.549 198 S N 0.077 115.912 115.700 0.225 0.000 2.343 198 S HA -0.106 4.376 4.470 0.020 0.000 0.219 198 S C -0.425 174.277 174.600 0.170 0.000 1.033 198 S CA 1.319 59.702 58.200 0.304 0.000 1.014 198 S CB -1.156 62.278 63.200 0.390 0.000 0.915 198 S HN 0.165 nan 8.310 nan 0.000 0.435 199 P HA -0.104 nan 4.420 nan 0.000 0.217 199 P C 1.434 178.761 177.300 0.045 0.000 1.151 199 P CA 1.808 64.948 63.100 0.066 0.000 0.849 199 P CB -0.287 31.411 31.700 -0.005 0.000 0.787 200 A N -1.020 121.810 122.820 0.016 0.000 1.933 200 A HA -0.152 4.180 4.320 0.020 0.000 0.218 200 A C 2.158 179.759 177.584 0.028 0.000 1.175 200 A CA 1.386 53.431 52.037 0.015 0.000 0.628 200 A CB -1.581 17.437 19.000 0.029 0.000 0.814 200 A HN 0.146 nan 8.150 nan 0.000 0.444 201 L N 0.372 121.619 121.223 0.040 0.000 2.201 201 L HA -0.041 4.310 4.340 0.020 0.000 0.212 201 L C 1.896 178.796 176.870 0.050 0.000 1.105 201 L CA 0.870 55.733 54.840 0.038 0.000 0.775 201 L CB -0.922 41.175 42.059 0.063 0.000 0.913 201 L HN 0.578 nan 8.230 nan 0.000 0.440 202 T N -3.726 110.870 114.554 0.069 0.000 2.726 202 T HA -0.007 4.355 4.350 0.020 0.000 0.294 202 T C 0.845 175.533 174.700 -0.020 0.000 1.013 202 T CA -0.442 61.693 62.100 0.058 0.000 0.996 202 T CB 0.793 69.716 68.868 0.092 0.000 1.016 202 T HN 0.050 nan 8.240 nan 0.000 0.529 203 D N -0.385 119.957 120.400 -0.097 0.000 2.213 203 D HA 0.119 4.771 4.640 0.020 0.000 0.205 203 D C -0.147 175.645 176.300 -0.846 0.000 0.961 203 D CA 1.084 54.822 54.000 -0.436 0.000 0.853 203 D CB 0.045 40.558 40.800 -0.479 0.000 0.967 203 D HN 0.472 nan 8.370 nan 0.000 0.496 204 F N 0.099 119.993 119.950 -0.093 0.000 2.574 204 F HA 0.333 4.872 4.527 0.019 0.000 0.313 204 F C -0.422 175.418 175.800 0.066 0.000 1.130 204 F CA -1.051 56.806 58.000 -0.238 0.000 0.936 204 F CB 2.188 41.111 39.000 -0.128 0.000 1.219 204 F HN -0.437 nan 8.300 nan 0.000 0.445 205 V N 4.803 125.025 119.914 0.513 0.000 2.378 205 V HA 0.484 4.616 4.120 0.020 0.000 0.288 205 V C -0.518 175.739 176.094 0.272 0.000 1.016 205 V CA -0.538 61.954 62.300 0.321 0.000 0.840 205 V CB 1.459 33.407 31.823 0.209 0.000 0.994 205 V HN 0.511 nan 8.190 nan 0.000 0.431 206 I N 6.003 126.678 120.570 0.176 0.000 2.362 206 I HA 0.505 4.687 4.170 0.020 0.000 0.289 206 I C 0.110 176.258 176.117 0.052 0.000 0.994 206 I CA 0.099 61.474 61.300 0.126 0.000 1.158 206 I CB 1.545 39.641 38.000 0.161 0.000 1.315 206 I HN 0.463 nan 8.210 nan 0.000 0.451 207 M N 5.267 124.863 119.600 -0.006 0.000 2.644 207 M HA 0.593 5.085 4.480 0.020 0.000 0.316 207 M C -0.891 175.357 176.300 -0.087 0.000 1.200 207 M CA -1.093 54.185 55.300 -0.036 0.000 0.944 207 M CB 2.334 34.916 32.600 -0.030 0.000 1.691 207 M HN 0.126 nan 8.290 nan 0.000 0.471 208 V N 0.934 120.804 119.914 -0.073 0.000 2.370 208 V HA 0.146 4.277 4.120 0.020 0.000 0.279 208 V C -0.468 175.579 176.094 -0.079 0.000 1.029 208 V CA -0.758 61.484 62.300 -0.096 0.000 0.870 208 V CB 1.260 33.031 31.823 -0.086 0.000 0.984 208 V HN 0.749 nan 8.190 nan 0.000 0.451 209 D N 4.823 125.160 120.400 -0.106 0.000 2.487 209 D HA 0.117 4.769 4.640 0.020 0.000 0.243 209 D C 0.952 177.224 176.300 -0.046 0.000 1.154 209 D CA 0.942 54.895 54.000 -0.079 0.000 0.876 209 D CB 0.553 41.293 40.800 -0.101 0.000 1.161 209 D HN 0.615 nan 8.370 nan 0.000 0.478 210 Q N 1.207 120.993 119.800 -0.024 0.000 3.505 210 Q HA -0.236 4.116 4.340 0.020 0.000 0.190 210 Q C 1.235 177.237 176.000 0.002 0.000 1.642 210 Q CA 2.207 58.004 55.803 -0.011 0.000 0.959 210 Q CB -2.176 26.550 28.738 -0.020 0.000 0.844 210 Q HN 0.724 nan 8.270 nan 0.000 0.983 211 T N -2.051 112.501 114.554 -0.003 0.000 3.092 211 T HA 0.416 4.778 4.350 0.020 0.000 0.258 211 T C 0.502 175.213 174.700 0.018 0.000 1.031 211 T CA 0.629 62.734 62.100 0.009 0.000 0.925 211 T CB 0.298 69.167 68.868 0.001 0.000 1.036 211 T HN 0.402 nan 8.240 nan 0.000 0.544 212 S N 0.332 116.044 115.700 0.019 0.000 2.549 212 S HA 0.817 5.299 4.470 0.020 0.000 0.280 212 S C -1.583 173.050 174.600 0.056 0.000 1.109 212 S CA -0.817 57.400 58.200 0.028 0.000 0.905 212 S CB 2.549 65.754 63.200 0.008 0.000 1.081 212 S HN 0.227 nan 8.310 nan 0.000 0.477 213 Q N 0.858 120.696 119.800 0.064 0.000 2.456 213 Q HA 0.663 5.015 4.340 0.020 0.000 0.284 213 Q C -1.326 174.676 176.000 0.003 0.000 1.061 213 Q CA -0.353 55.526 55.803 0.126 0.000 0.799 213 Q CB 2.472 31.379 28.738 0.282 0.000 1.445 213 Q HN 0.830 nan 8.270 nan 0.000 0.411 214 M N 2.485 122.142 119.600 0.094 0.000 2.267 214 M HA 0.716 5.207 4.480 0.020 0.000 0.289 214 M C -1.675 174.683 176.300 0.097 0.000 1.043 214 M CA -0.597 54.631 55.300 -0.120 0.000 0.928 214 M CB 1.431 33.907 32.600 -0.206 0.000 1.613 214 M HN 0.690 nan 8.290 nan 0.000 0.450 215 F N 0.500 120.450 119.950 -0.001 0.000 2.665 215 F HA 0.524 5.063 4.527 0.020 0.000 0.308 215 F C -0.138 175.617 175.800 -0.076 0.000 1.112 215 F CA -1.204 56.792 58.000 -0.007 0.000 0.972 215 F CB 0.320 39.334 39.000 0.023 0.000 1.295 215 F HN 0.318 nan 8.300 nan 0.000 0.440 216 I N 0.423 121.042 120.570 0.081 0.000 2.163 216 I HA -0.042 4.140 4.170 0.020 0.000 0.240 216 I C 0.864 177.080 176.117 0.164 0.000 1.081 216 I CA 1.361 62.664 61.300 0.005 0.000 1.353 216 I CB -1.090 36.890 38.000 -0.033 0.000 1.054 216 I HN 0.655 nan 8.210 nan 0.000 0.407 217 T N 1.187 115.883 114.554 0.237 0.000 2.841 217 T HA 0.608 4.970 4.350 0.020 0.000 0.283 217 T C 0.271 175.085 174.700 0.190 0.000 1.000 217 T CA -0.533 61.687 62.100 0.199 0.000 0.977 217 T CB 2.170 71.094 68.868 0.093 0.000 0.979 217 T HN 0.339 nan 8.240 nan 0.000 0.446 218 G N 2.331 111.219 108.800 0.146 0.000 2.580 218 G HA2 0.400 4.372 3.960 0.020 0.000 0.278 218 G HA3 0.400 4.372 3.960 0.020 0.000 0.278 218 G C -1.682 173.081 174.900 -0.229 0.000 1.212 218 G CA -1.463 43.540 45.100 -0.162 0.000 0.939 218 G HN 0.396 nan 8.290 nan 0.000 0.513 219 P HA -0.069 nan 4.420 nan 0.000 0.216 219 P C 1.102 178.338 177.300 -0.107 0.000 1.150 219 P CA 1.058 64.031 63.100 -0.211 0.000 0.837 219 P CB 0.260 31.829 31.700 -0.219 0.000 0.786 220 D N -0.961 119.395 120.400 -0.074 0.000 2.144 220 D HA -0.091 4.560 4.640 0.020 0.000 0.200 220 D C 1.999 178.284 176.300 -0.024 0.000 0.978 220 D CA 1.008 54.986 54.000 -0.036 0.000 0.833 220 D CB -0.680 40.111 40.800 -0.015 0.000 0.961 220 D HN 0.015 nan 8.370 nan 0.000 0.470 221 V N 1.251 121.155 119.914 -0.017 0.000 2.379 221 V HA -0.162 3.969 4.120 0.020 0.000 0.245 221 V C 2.555 178.641 176.094 -0.013 0.000 1.044 221 V CA 0.868 63.165 62.300 -0.004 0.000 1.036 221 V CB -0.261 31.572 31.823 0.017 0.000 0.664 221 V HN 0.164 nan 8.190 nan 0.000 0.453 222 I N 0.175 120.727 120.570 -0.031 0.000 2.208 222 I HA -0.290 3.892 4.170 0.020 0.000 0.245 222 I C 2.595 178.694 176.117 -0.030 0.000 1.097 222 I CA 1.838 63.118 61.300 -0.034 0.000 1.363 222 I CB -0.355 37.609 38.000 -0.059 0.000 1.051 222 I HN 0.296 nan 8.210 nan 0.000 0.413 223 K N 1.253 121.631 120.400 -0.037 0.000 1.987 223 K HA -0.247 4.085 4.320 0.020 0.000 0.216 223 K C 2.163 178.752 176.600 -0.018 0.000 1.051 223 K CA 2.732 59.002 56.287 -0.029 0.000 0.942 223 K CB -0.823 31.658 32.500 -0.031 0.000 0.722 223 K HN 0.414 nan 8.250 nan 0.000 0.444 224 T N -1.575 112.970 114.554 -0.015 0.000 2.788 224 T HA -0.102 4.259 4.350 0.020 0.000 0.268 224 T C 1.907 176.603 174.700 -0.006 0.000 1.044 224 T CA 1.678 63.773 62.100 -0.009 0.000 1.139 224 T CB -0.598 68.266 68.868 -0.006 0.000 0.867 224 T HN 0.011 nan 8.240 nan 0.000 0.454 225 V N 2.228 122.139 119.914 -0.005 0.000 2.346 225 V HA -0.017 4.114 4.120 0.020 0.000 0.244 225 V C 3.056 179.148 176.094 -0.004 0.000 1.037 225 V CA 2.057 64.356 62.300 -0.002 0.000 1.029 225 V CB -0.751 31.073 31.823 0.002 0.000 0.663 225 V HN 0.874 nan 8.190 nan 0.000 0.454 226 T N -3.978 110.572 114.554 -0.007 0.000 2.985 226 T HA 0.362 4.724 4.350 0.020 0.000 0.254 226 T C 1.597 176.291 174.700 -0.010 0.000 1.021 226 T CA 1.049 63.145 62.100 -0.008 0.000 0.957 226 T CB 0.958 69.821 68.868 -0.009 0.000 1.047 226 T HN 0.880 nan 8.240 nan 0.000 0.511 227 G N 1.577 110.370 108.800 -0.012 0.000 2.245 227 G HA2 -0.275 3.697 3.960 0.020 0.000 0.264 227 G HA3 -0.275 3.697 3.960 0.020 0.000 0.264 227 G C -0.131 174.759 174.900 -0.017 0.000 0.985 227 G CA 0.283 45.375 45.100 -0.013 0.000 0.625 227 G HN 0.687 nan 8.290 nan 0.000 0.536 228 E N 0.941 121.128 120.200 -0.020 0.000 2.384 228 E HA 0.433 4.795 4.350 0.020 0.000 0.266 228 E C 0.056 176.636 176.600 -0.033 0.000 1.012 228 E CA 0.284 56.669 56.400 -0.025 0.000 0.901 228 E CB 0.571 30.255 29.700 -0.027 0.000 0.967 228 E HN 0.528 nan 8.360 nan 0.000 0.435 229 E N 1.659 121.839 120.200 -0.033 0.000 2.145 229 E HA 0.448 4.810 4.350 0.020 0.000 0.270 229 E C -1.457 175.115 176.600 -0.046 0.000 0.906 229 E CA -0.492 55.885 56.400 -0.039 0.000 0.761 229 E CB 2.010 31.692 29.700 -0.030 0.000 1.116 229 E HN 0.084 nan 8.360 nan 0.000 0.408 230 V N 2.813 122.689 119.914 -0.063 0.000 2.969 230 V HA 0.398 4.530 4.120 0.020 0.000 0.304 230 V C -0.546 175.492 176.094 -0.093 0.000 1.192 230 V CA -0.530 61.724 62.300 -0.076 0.000 0.962 230 V CB 2.424 34.192 31.823 -0.091 0.000 1.045 230 V HN 0.854 nan 8.190 nan 0.000 0.428 231 T N 3.301 117.806 114.554 -0.081 0.000 2.899 231 T HA 0.355 4.717 4.350 0.020 0.000 0.284 231 T C 1.293 175.919 174.700 -0.122 0.000 1.004 231 T CA -0.287 61.764 62.100 -0.082 0.000 1.043 231 T CB 1.138 69.977 68.868 -0.048 0.000 1.013 231 T HN 0.646 nan 8.240 nan 0.000 0.518 232 M N 0.234 119.760 119.600 -0.123 0.000 2.106 232 M HA -0.135 4.356 4.480 0.020 0.000 0.259 232 M C 2.368 178.660 176.300 -0.013 0.000 1.068 232 M CA 2.123 57.344 55.300 -0.132 0.000 1.100 232 M CB -0.475 32.142 32.600 0.027 0.000 1.351 232 M HN 0.890 nan 8.290 nan 0.000 0.404 233 E N 0.660 120.861 120.200 0.002 0.000 2.106 233 E HA -0.168 4.194 4.350 0.020 0.000 0.192 233 E C 1.557 178.149 176.600 -0.013 0.000 0.984 233 E CA 1.594 58.003 56.400 0.015 0.000 0.806 233 E CB -0.021 29.683 29.700 0.008 0.000 0.750 233 E HN 0.505 nan 8.360 nan 0.000 0.458 234 E N -0.311 119.867 120.200 -0.037 0.000 2.072 234 E HA -0.147 4.215 4.350 0.020 0.000 0.191 234 E C 2.017 178.574 176.600 -0.072 0.000 0.985 234 E CA 1.013 57.388 56.400 -0.043 0.000 0.801 234 E CB -0.179 29.494 29.700 -0.045 0.000 0.750 234 E HN 0.212 nan 8.360 nan 0.000 0.452 235 L N -0.375 120.788 121.223 -0.100 0.000 1.994 235 L HA -0.040 4.312 4.340 0.020 0.000 0.208 235 L C 1.648 178.458 176.870 -0.101 0.000 1.071 235 L CA 2.231 56.998 54.840 -0.122 0.000 0.745 235 L CB -0.167 41.749 42.059 -0.238 0.000 0.892 235 L HN 0.136 nan 8.230 nan 0.000 0.431 236 G N -1.670 107.122 108.800 -0.014 0.000 4.530 236 G HA2 0.384 4.356 3.960 0.020 0.000 0.284 236 G HA3 0.384 4.356 3.960 0.020 0.000 0.284 236 G C 0.461 175.381 174.900 0.033 0.000 1.008 236 G CA 0.157 45.264 45.100 0.013 0.000 0.770 236 G HN 0.631 nan 8.290 nan 0.000 0.424 237 G N -0.390 108.398 108.800 -0.020 0.000 2.653 237 G HA2 0.471 4.443 3.960 0.020 0.000 0.265 237 G HA3 0.471 4.443 3.960 0.020 0.000 0.265 237 G C 1.352 176.256 174.900 0.008 0.000 1.237 237 G CA 0.389 45.507 45.100 0.030 0.000 0.946 237 G HN 0.473 nan 8.290 nan 0.000 0.522 238 A N -0.951 121.883 122.820 0.024 0.000 1.877 238 A HA -0.133 4.199 4.320 0.020 0.000 0.216 238 A C 2.057 179.628 177.584 -0.022 0.000 1.186 238 A CA 2.351 54.389 52.037 0.001 0.000 0.620 238 A CB -1.041 17.932 19.000 -0.046 0.000 0.822 238 A HN 0.905 nan 8.150 nan 0.000 0.443 239 H N -0.236 118.789 119.070 -0.076 0.000 2.352 239 H HA -0.105 4.463 4.556 0.019 0.000 0.299 239 H C 2.109 177.392 175.328 -0.076 0.000 1.097 239 H CA 2.439 58.443 56.048 -0.073 0.000 1.311 239 H CB -0.427 29.295 29.762 -0.066 0.000 1.377 239 H HN 0.373 nan 8.280 nan 0.000 0.504 240 T N 0.060 114.513 114.554 -0.168 0.000 2.684 240 T HA -0.170 4.191 4.350 0.020 0.000 0.267 240 T C 1.594 176.113 174.700 -0.302 0.000 1.036 240 T CA 1.691 63.630 62.100 -0.268 0.000 1.148 240 T CB -0.298 68.383 68.868 -0.312 0.000 0.863 240 T HN 0.548 nan 8.240 nan 0.000 0.436 241 H N -0.380 118.613 119.070 -0.128 0.000 2.502 241 H HA 0.211 4.779 4.556 0.020 0.000 0.283 241 H C 2.081 177.263 175.328 -0.244 0.000 1.015 241 H CA 0.859 56.810 56.048 -0.162 0.000 1.298 241 H CB -0.277 29.412 29.762 -0.122 0.000 1.411 241 H HN 0.264 nan 8.280 nan 0.000 0.556 242 M N 0.710 120.232 119.600 -0.130 0.000 2.074 242 M HA 0.022 4.514 4.480 0.020 0.000 0.258 242 M C 2.352 178.559 176.300 -0.155 0.000 1.083 242 M CA 2.087 57.282 55.300 -0.176 0.000 1.128 242 M CB -0.601 31.915 32.600 -0.140 0.000 1.301 242 M HN 0.090 nan 8.290 nan 0.000 0.417 243 A N -0.590 122.106 122.820 -0.206 0.000 1.970 243 A HA -0.039 4.293 4.320 0.020 0.000 0.216 243 A C 2.090 179.732 177.584 0.097 0.000 1.170 243 A CA 1.402 53.403 52.037 -0.060 0.000 0.645 243 A CB -0.448 18.358 19.000 -0.325 0.000 0.816 243 A HN 0.604 nan 8.150 nan 0.000 0.447 244 K N -0.143 120.232 120.400 -0.042 0.000 2.121 244 K HA -0.008 4.324 4.320 0.020 0.000 0.203 244 K C 2.095 178.747 176.600 0.086 0.000 1.041 244 K CA 1.344 57.653 56.287 0.036 0.000 0.969 244 K CB -0.138 32.339 32.500 -0.039 0.000 0.799 244 K HN 0.525 nan 8.250 nan 0.000 0.456 245 S N -0.253 115.434 115.700 -0.021 0.000 2.548 245 S HA 0.138 4.620 4.470 0.020 0.000 0.215 245 S C 1.288 175.764 174.600 -0.206 0.000 0.976 245 S CA 0.317 58.509 58.200 -0.014 0.000 0.908 245 S CB 0.435 63.699 63.200 0.106 0.000 0.781 245 S HN 0.450 nan 8.310 nan 0.000 0.519 246 G N 0.728 109.119 108.800 -0.682 0.000 2.221 246 G HA2 -0.260 3.711 3.960 0.020 0.000 0.265 246 G HA3 -0.260 3.711 3.960 0.020 0.000 0.265 246 G C 0.477 175.002 174.900 -0.624 0.000 1.041 246 G CA 0.686 45.009 45.100 -1.294 0.000 0.807 246 G HN 0.573 nan 8.290 nan 0.000 0.502 247 T N -0.960 113.333 114.554 -0.434 0.000 3.018 247 T HA 0.550 4.912 4.350 0.020 0.000 0.246 247 T C 1.347 175.842 174.700 -0.342 0.000 1.026 247 T CA 1.047 62.958 62.100 -0.315 0.000 1.081 247 T CB 0.509 69.222 68.868 -0.258 0.000 0.970 247 T HN 1.365 nan 8.240 nan 0.000 0.475 248 A N 0.987 123.629 122.820 -0.298 0.000 2.290 248 A HA 0.549 4.881 4.320 0.020 0.000 0.310 248 A C 0.114 177.543 177.584 -0.258 0.000 1.202 248 A CA -0.388 51.541 52.037 -0.179 0.000 0.837 248 A CB 0.326 19.276 19.000 -0.083 0.000 1.139 248 A HN 0.439 nan 8.150 nan 0.000 0.509 249 H N 0.014 119.120 119.070 0.060 0.000 2.547 249 H HA 0.223 4.791 4.556 0.020 0.000 0.272 249 H C -0.749 174.627 175.328 0.079 0.000 0.971 249 H CA 1.295 57.421 56.048 0.130 0.000 1.245 249 H CB 0.257 30.216 29.762 0.329 0.000 1.440 249 H HN 0.660 nan 8.280 nan 0.000 0.540 250 Y N 0.063 120.292 120.300 -0.119 0.000 2.519 250 Y HA 0.560 5.122 4.550 0.019 0.000 0.336 250 Y C -1.663 174.093 175.900 -0.240 0.000 1.089 250 Y CA -1.790 56.097 58.100 -0.356 0.000 1.025 250 Y CB 1.329 39.173 38.460 -1.026 0.000 1.318 250 Y HN -0.056 nan 8.280 nan 0.000 0.452 251 A N 4.525 126.853 122.820 -0.819 0.000 2.316 251 A HA 0.820 5.152 4.320 0.020 0.000 0.324 251 A C -0.547 176.473 177.584 -0.940 0.000 1.375 251 A CA -0.022 51.644 52.037 -0.620 0.000 0.882 251 A CB -0.406 18.392 19.000 -0.337 0.000 1.152 251 A HN 1.087 nan 8.150 nan 0.000 0.512 252 A N 1.753 124.167 122.820 -0.677 0.000 2.322 252 A HA 0.538 4.870 4.320 0.020 0.000 0.269 252 A C 1.401 178.851 177.584 -0.223 0.000 1.094 252 A CA 0.217 52.007 52.037 -0.411 0.000 0.807 252 A CB 0.249 19.218 19.000 -0.051 0.000 1.047 252 A HN 1.634 nan 8.150 nan 0.000 0.487 253 S N 0.819 116.449 115.700 -0.115 0.000 2.489 253 S HA 0.395 4.877 4.470 0.020 0.000 0.228 253 S C 0.878 175.440 174.600 -0.065 0.000 0.995 253 S CA 0.569 58.723 58.200 -0.078 0.000 0.934 253 S CB -0.270 62.910 63.200 -0.034 0.000 0.771 253 S HN 1.816 nan 8.310 nan 0.000 0.522 254 G N -0.006 108.750 108.800 -0.072 0.000 2.554 254 G HA2 0.420 4.391 3.960 0.020 0.000 0.306 254 G HA3 0.420 4.391 3.960 0.020 0.000 0.306 254 G C -0.306 174.497 174.900 -0.163 0.000 1.320 254 G CA -0.503 44.544 45.100 -0.088 0.000 0.800 254 G HN 0.024 nan 8.290 nan 0.000 0.481 255 E N -0.236 119.842 120.200 -0.205 0.000 2.058 255 E HA -0.176 4.186 4.350 0.020 0.000 0.194 255 E C 2.352 178.502 176.600 -0.750 0.000 0.997 255 E CA 1.264 57.390 56.400 -0.458 0.000 0.801 255 E CB 0.029 29.564 29.700 -0.275 0.000 0.746 255 E HN 0.398 nan 8.360 nan 0.000 0.450 256 Q N 0.721 120.346 119.800 -0.291 0.000 2.119 256 Q HA -0.168 4.184 4.340 0.020 0.000 0.201 256 Q C 1.811 177.779 176.000 -0.054 0.000 0.972 256 Q CA 1.267 57.026 55.803 -0.073 0.000 0.847 256 Q CB -0.391 28.395 28.738 0.080 0.000 0.903 256 Q HN 0.288 nan 8.270 nan 0.000 0.433 257 D N 0.646 121.018 120.400 -0.046 0.000 2.149 257 D HA -0.140 4.512 4.640 0.020 0.000 0.198 257 D C 1.771 178.122 176.300 0.085 0.000 0.990 257 D CA 1.556 55.587 54.000 0.052 0.000 0.839 257 D CB 0.016 40.864 40.800 0.081 0.000 0.948 257 D HN 0.224 nan 8.370 nan 0.000 0.460 258 A N -0.451 122.325 122.820 -0.074 0.000 1.877 258 A HA -0.124 4.208 4.320 0.020 0.000 0.216 258 A C 2.232 179.834 177.584 0.029 0.000 1.186 258 A CA 1.341 53.351 52.037 -0.046 0.000 0.620 258 A CB -1.245 17.608 19.000 -0.245 0.000 0.822 258 A HN 0.417 nan 8.150 nan 0.000 0.443 259 F N 0.310 120.312 119.950 0.086 0.000 2.134 259 F HA -0.212 4.327 4.527 0.020 0.000 0.299 259 F C 2.205 178.031 175.800 0.044 0.000 1.097 259 F CA 0.826 58.855 58.000 0.049 0.000 1.264 259 F CB -0.378 38.636 39.000 0.023 0.000 1.001 259 F HN 0.173 nan 8.300 nan 0.000 0.479 260 D N -0.380 120.147 120.400 0.212 0.000 2.123 260 D HA -0.238 4.414 4.640 0.020 0.000 0.196 260 D C 1.832 178.168 176.300 0.061 0.000 0.992 260 D CA 1.351 55.422 54.000 0.117 0.000 0.833 260 D CB -0.697 40.160 40.800 0.096 0.000 0.954 260 D HN 0.329 nan 8.370 nan 0.000 0.455 261 Y N 1.120 121.376 120.300 -0.074 0.000 2.200 261 Y HA -0.190 4.372 4.550 0.019 0.000 0.290 261 Y C 2.296 178.112 175.900 -0.140 0.000 1.137 261 Y CA 1.351 59.315 58.100 -0.227 0.000 1.163 261 Y CB -0.210 37.938 38.460 -0.520 0.000 0.988 261 Y HN -0.097 nan 8.280 nan 0.000 0.518 262 V N 0.774 120.766 119.914 0.129 0.000 2.427 262 V HA -0.243 3.889 4.120 0.020 0.000 0.248 262 V C 2.160 178.228 176.094 -0.043 0.000 1.051 262 V CA 2.076 64.409 62.300 0.055 0.000 1.048 262 V CB -0.463 31.434 31.823 0.124 0.000 0.666 262 V HN 0.426 nan 8.190 nan 0.000 0.456 263 R N -0.401 120.087 120.500 -0.020 0.000 2.096 263 R HA -0.101 4.251 4.340 0.020 0.000 0.235 263 R C 2.411 178.637 176.300 -0.123 0.000 1.127 263 R CA 1.655 57.721 56.100 -0.056 0.000 0.968 263 R CB -0.418 29.869 30.300 -0.022 0.000 0.861 263 R HN 0.537 nan 8.270 nan 0.000 0.440 264 E N 0.955 121.058 120.200 -0.162 0.000 2.051 264 E HA -0.176 4.185 4.350 0.020 0.000 0.192 264 E C 2.006 178.484 176.600 -0.204 0.000 0.991 264 E CA 0.819 57.095 56.400 -0.206 0.000 0.799 264 E CB -0.272 29.280 29.700 -0.246 0.000 0.748 264 E HN 0.107 nan 8.360 nan 0.000 0.449 265 L N 1.050 122.093 121.223 -0.301 0.000 1.989 265 L HA -0.174 4.178 4.340 0.020 0.000 0.211 265 L C 2.358 179.078 176.870 -0.251 0.000 1.071 265 L CA 1.543 56.200 54.840 -0.306 0.000 0.749 265 L CB -0.862 40.950 42.059 -0.412 0.000 0.890 265 L HN 0.099 nan 8.230 nan 0.000 0.431 266 L N -0.612 120.483 121.223 -0.213 0.000 2.079 266 L HA -0.227 4.125 4.340 0.020 0.000 0.210 266 L C 2.653 179.397 176.870 -0.210 0.000 1.081 266 L CA 1.484 56.210 54.840 -0.190 0.000 0.752 266 L CB -0.814 41.167 42.059 -0.130 0.000 0.896 266 L HN 0.546 nan 8.230 nan 0.000 0.433 267 S N -1.069 114.481 115.700 -0.250 0.000 2.442 267 S HA -0.204 4.277 4.470 0.020 0.000 0.236 267 S C 1.810 176.128 174.600 -0.469 0.000 1.007 267 S CA 0.902 58.911 58.200 -0.318 0.000 0.965 267 S CB -0.553 62.441 63.200 -0.343 0.000 0.773 267 S HN 0.437 nan 8.310 nan 0.000 0.504 268 Y N 1.315 121.416 120.300 -0.331 0.000 2.420 268 Y HA 0.430 4.992 4.550 0.020 0.000 0.292 268 Y C 1.117 176.797 175.900 -0.366 0.000 1.119 268 Y CA -0.088 57.769 58.100 -0.405 0.000 1.229 268 Y CB -0.087 37.978 38.460 -0.659 0.000 1.026 268 Y HN 0.208 nan 8.280 nan 0.000 0.554 269 L N 2.732 123.821 121.223 -0.224 0.000 2.357 269 L HA 0.301 4.653 4.340 0.020 0.000 0.273 269 L C -2.056 174.732 176.870 -0.138 0.000 1.080 269 L CA -2.282 52.431 54.840 -0.211 0.000 0.803 269 L CB 0.970 42.847 42.059 -0.304 0.000 1.174 269 L HN -0.145 nan 8.230 nan 0.000 0.443 270 P HA 0.104 nan 4.420 nan 0.000 0.273 270 P C -2.295 174.965 177.300 -0.067 0.000 1.250 270 P CA -1.279 61.804 63.100 -0.028 0.000 0.793 270 P CB 0.093 31.830 31.700 0.061 0.000 1.011 271 P HA -0.088 nan 4.420 nan 0.000 0.223 271 P C -0.073 177.230 177.300 0.006 0.000 1.151 271 P CA 1.426 64.507 63.100 -0.032 0.000 0.787 271 P CB 0.010 31.706 31.700 -0.008 0.000 0.788 272 N N -1.663 117.087 118.700 0.083 0.000 3.116 272 N HA 0.027 4.779 4.740 0.020 0.000 0.244 272 N C 0.238 175.913 175.510 0.274 0.000 1.485 272 N CA -0.791 52.373 53.050 0.190 0.000 0.884 272 N CB -0.710 37.846 38.487 0.115 0.000 1.415 272 N HN -0.339 nan 8.380 nan 0.000 0.524 273 N N -0.971 117.880 118.700 0.251 0.000 2.550 273 N HA -0.097 4.655 4.740 0.020 0.000 0.186 273 N C 0.172 175.718 175.510 0.061 0.000 1.110 273 N CA 1.125 54.245 53.050 0.117 0.000 0.912 273 N CB -0.414 38.035 38.487 -0.064 0.000 0.968 273 N HN 0.614 nan 8.380 nan 0.000 0.448 274 S N -2.307 113.432 115.700 0.065 0.000 2.572 274 S HA 0.223 4.705 4.470 0.020 0.000 0.228 274 S C -0.018 174.605 174.600 0.039 0.000 0.963 274 S CA -0.605 57.617 58.200 0.037 0.000 0.939 274 S CB -0.253 62.963 63.200 0.027 0.000 0.804 274 S HN 0.109 nan 8.310 nan 0.000 0.480 275 T N 2.603 117.191 114.554 0.056 0.000 2.841 275 T HA 0.404 4.766 4.350 0.020 0.000 0.283 275 T C -1.169 173.561 174.700 0.050 0.000 1.000 275 T CA -0.686 61.442 62.100 0.046 0.000 0.977 275 T CB 1.394 70.287 68.868 0.042 0.000 0.979 275 T HN 0.114 nan 8.240 nan 0.000 0.446 276 D N 2.391 122.812 120.400 0.034 0.000 2.455 276 D HA 0.321 4.973 4.640 0.020 0.000 0.241 276 D C 0.502 176.819 176.300 0.028 0.000 1.138 276 D CA 0.074 54.093 54.000 0.031 0.000 0.877 276 D CB 0.610 41.424 40.800 0.023 0.000 1.187 276 D HN 0.722 nan 8.370 nan 0.000 0.451 277 A N 4.311 127.149 122.820 0.031 0.000 2.531 277 A HA 0.248 4.580 4.320 0.020 0.000 0.236 277 A C -1.966 175.610 177.584 -0.014 0.000 1.062 277 A CA -0.788 51.253 52.037 0.006 0.000 0.760 277 A CB -0.260 18.749 19.000 0.015 0.000 0.995 277 A HN 0.363 nan 8.150 nan 0.000 0.501 278 P HA 0.313 nan 4.420 nan 0.000 0.280 278 P C -0.763 176.499 177.300 -0.064 0.000 1.244 278 P CA -0.111 62.971 63.100 -0.030 0.000 0.784 278 P CB 0.802 32.488 31.700 -0.023 0.000 0.913 279 R N 2.377 122.879 120.500 0.004 0.000 2.532 279 R HA 0.440 4.792 4.340 0.020 0.000 0.295 279 R C 0.147 176.556 176.300 0.181 0.000 0.968 279 R CA -0.681 55.425 56.100 0.011 0.000 0.916 279 R CB 1.328 31.649 30.300 0.035 0.000 1.124 279 R HN 0.517 nan 8.270 nan 0.000 0.463 280 Y N 0.640 120.933 120.300 -0.011 0.000 2.340 280 Y HA 0.057 4.618 4.550 0.019 0.000 0.327 280 Y C 0.868 176.768 175.900 -0.000 0.000 1.321 280 Y CA -1.068 57.024 58.100 -0.013 0.000 1.433 280 Y CB 0.793 39.243 38.460 -0.017 0.000 1.373 280 Y HN 0.317 nan 8.280 nan 0.000 0.538 281 Q N 1.536 121.434 119.800 0.164 0.000 2.247 281 Q HA 0.152 4.504 4.340 0.020 0.000 0.288 281 Q C -0.682 175.368 176.000 0.084 0.000 1.079 281 Q CA -0.161 55.693 55.803 0.084 0.000 0.932 281 Q CB 0.489 29.249 28.738 0.038 0.000 1.133 281 Q HN 0.576 nan 8.270 nan 0.000 0.377 282 A N 3.507 126.365 122.820 0.063 0.000 2.386 282 A HA 0.617 4.949 4.320 0.020 0.000 0.248 282 A C -0.036 177.571 177.584 0.039 0.000 1.082 282 A CA 0.113 52.181 52.037 0.052 0.000 0.789 282 A CB 0.190 19.214 19.000 0.041 0.000 1.025 282 A HN 0.940 nan 8.150 nan 0.000 0.490 283 A N 0.539 123.381 122.820 0.036 0.000 2.280 283 A HA 0.656 4.988 4.320 0.020 0.000 0.268 283 A C 0.656 178.250 177.584 0.016 0.000 1.111 283 A CA 0.174 52.226 52.037 0.025 0.000 0.814 283 A CB 0.013 19.028 19.000 0.025 0.000 1.093 283 A HN 2.140 nan 8.150 nan 0.000 0.498 284 A N 0.790 123.616 122.820 0.010 0.000 2.303 284 A HA 0.728 5.059 4.320 0.020 0.000 0.317 284 A C -2.104 175.479 177.584 -0.001 0.000 1.149 284 A CA -1.312 50.727 52.037 0.004 0.000 0.822 284 A CB -0.210 18.791 19.000 0.003 0.000 1.131 284 A HN 0.758 nan 8.150 nan 0.000 0.493 285 P HA 0.396 nan 4.420 nan 0.000 0.286 285 P C 0.376 177.667 177.300 -0.015 0.000 1.261 285 P CA -0.265 62.826 63.100 -0.015 0.000 0.821 285 P CB 1.421 33.109 31.700 -0.020 0.000 1.013 286 T N -0.040 114.503 114.554 -0.019 0.000 2.770 286 T HA 0.206 4.567 4.350 0.020 0.000 0.263 286 T C 0.994 175.680 174.700 -0.023 0.000 1.039 286 T CA 1.788 63.877 62.100 -0.019 0.000 1.142 286 T CB -0.484 68.371 68.868 -0.021 0.000 0.868 286 T HN 0.847 nan 8.240 nan 0.000 0.435 287 G N 0.899 109.680 108.800 -0.032 0.000 2.341 287 G HA2 0.147 4.119 3.960 0.020 0.000 0.059 287 G HA3 0.147 4.119 3.960 0.020 0.000 0.059 287 G C -2.641 172.226 174.900 -0.055 0.000 0.897 287 G CA -0.689 44.389 45.100 -0.037 0.000 1.142 287 G HN 0.239 nan 8.290 nan 0.000 0.433 288 P HA 0.345 nan 4.420 nan 0.000 0.268 288 P C 1.350 178.580 177.300 -0.117 0.000 1.205 288 P CA -0.319 62.733 63.100 -0.079 0.000 0.771 288 P CB 0.702 32.369 31.700 -0.054 0.000 0.858 289 I N 2.458 122.924 120.570 -0.173 0.000 2.143 289 I HA -0.286 3.896 4.170 0.020 0.000 0.245 289 I C 2.135 178.068 176.117 -0.307 0.000 1.068 289 I CA 2.089 63.240 61.300 -0.247 0.000 1.326 289 I CB -1.424 36.376 38.000 -0.334 0.000 1.028 289 I HN 0.520 nan 8.210 nan 0.000 0.412 290 E N 1.356 121.354 120.200 -0.338 0.000 2.409 290 E HA -0.191 4.171 4.350 0.020 0.000 0.198 290 E C 1.298 177.837 176.600 -0.102 0.000 1.024 290 E CA 0.883 57.130 56.400 -0.255 0.000 0.861 290 E CB -0.423 29.230 29.700 -0.079 0.000 0.788 290 E HN 0.620 nan 8.360 nan 0.000 0.521 291 E N 0.263 120.410 120.200 -0.088 0.000 2.474 291 E HA 0.107 4.469 4.350 0.020 0.000 0.195 291 E C 0.358 176.931 176.600 -0.046 0.000 1.039 291 E CA -0.088 56.282 56.400 -0.049 0.000 0.881 291 E CB 0.238 29.916 29.700 -0.038 0.000 0.970 291 E HN 0.250 nan 8.360 nan 0.000 0.486 292 N N 0.846 119.508 118.700 -0.064 0.000 2.416 292 N HA 0.154 4.906 4.740 0.020 0.000 0.267 292 N C -0.602 174.885 175.510 -0.038 0.000 1.294 292 N CA 0.044 53.067 53.050 -0.045 0.000 0.891 292 N CB 1.050 39.509 38.487 -0.048 0.000 1.238 292 N HN 0.032 nan 8.380 nan 0.000 0.508 293 L N 1.608 122.810 121.223 -0.036 0.000 2.260 293 L HA 0.239 4.591 4.340 0.020 0.000 0.289 293 L C 1.337 178.205 176.870 -0.004 0.000 1.057 293 L CA -0.371 54.459 54.840 -0.017 0.000 0.811 293 L CB 0.760 42.815 42.059 -0.006 0.000 1.184 293 L HN 0.067 nan 8.230 nan 0.000 0.429 294 T N -2.224 112.332 114.554 0.004 0.000 2.754 294 T HA 0.099 4.461 4.350 0.020 0.000 0.286 294 T C 0.779 175.483 174.700 0.007 0.000 0.997 294 T CA -0.702 61.403 62.100 0.008 0.000 0.982 294 T CB 1.118 69.995 68.868 0.014 0.000 1.027 294 T HN 0.463 nan 8.240 nan 0.000 0.529 295 D N -0.256 120.148 120.400 0.007 0.000 2.144 295 D HA -0.088 4.564 4.640 0.020 0.000 0.199 295 D C 1.911 178.214 176.300 0.005 0.000 0.984 295 D CA 1.201 55.204 54.000 0.005 0.000 0.834 295 D CB -0.234 40.570 40.800 0.007 0.000 0.955 295 D HN 0.803 nan 8.370 nan 0.000 0.465 296 E N 0.345 120.552 120.200 0.013 0.000 2.077 296 E HA -0.173 4.189 4.350 0.020 0.000 0.193 296 E C 1.262 177.870 176.600 0.013 0.000 0.989 296 E CA 0.945 57.356 56.400 0.017 0.000 0.800 296 E CB 0.200 29.917 29.700 0.028 0.000 0.746 296 E HN 0.181 nan 8.360 nan 0.000 0.452 297 D N 0.533 120.941 120.400 0.014 0.000 2.104 297 D HA -0.177 4.475 4.640 0.020 0.000 0.194 297 D C 2.108 178.396 176.300 -0.019 0.000 0.994 297 D CA 0.924 54.931 54.000 0.011 0.000 0.830 297 D CB -0.262 40.551 40.800 0.022 0.000 0.959 297 D HN 0.260 nan 8.370 nan 0.000 0.452 298 L N 0.717 121.930 121.223 -0.017 0.000 2.201 298 L HA -0.097 4.255 4.340 0.020 0.000 0.212 298 L C 2.219 179.054 176.870 -0.058 0.000 1.105 298 L CA 0.778 55.596 54.840 -0.036 0.000 0.775 298 L CB -0.333 41.714 42.059 -0.019 0.000 0.913 298 L HN -0.038 nan 8.230 nan 0.000 0.440 299 E N -0.027 120.149 120.200 -0.041 0.000 2.219 299 E HA -0.243 4.119 4.350 0.020 0.000 0.198 299 E C 2.015 178.566 176.600 -0.081 0.000 0.998 299 E CA 0.850 57.223 56.400 -0.044 0.000 0.818 299 E CB -0.044 29.647 29.700 -0.015 0.000 0.741 299 E HN 0.253 nan 8.360 nan 0.000 0.477 300 L N 1.166 122.319 121.223 -0.117 0.000 2.201 300 L HA -0.158 4.193 4.340 0.020 0.000 0.212 300 L C 1.536 178.188 176.870 -0.362 0.000 1.105 300 L CA 1.572 56.278 54.840 -0.224 0.000 0.775 300 L CB -0.569 41.327 42.059 -0.272 0.000 0.913 300 L HN 0.048 nan 8.230 nan 0.000 0.440 301 D N -0.965 119.265 120.400 -0.283 0.000 2.178 301 D HA -0.124 4.528 4.640 0.020 0.000 0.201 301 D C 1.835 178.016 176.300 -0.199 0.000 0.980 301 D CA 1.752 55.587 54.000 -0.275 0.000 0.842 301 D CB 0.051 40.739 40.800 -0.186 0.000 0.948 301 D HN 0.433 nan 8.370 nan 0.000 0.472 302 T N -2.384 112.084 114.554 -0.142 0.000 3.085 302 T HA 0.207 4.569 4.350 0.020 0.000 0.264 302 T C 1.797 176.446 174.700 -0.085 0.000 1.019 302 T CA -0.304 61.739 62.100 -0.095 0.000 0.910 302 T CB -0.077 68.755 68.868 -0.061 0.000 1.059 302 T HN 0.020 nan 8.240 nan 0.000 0.542 303 L N 0.788 121.944 121.223 -0.112 0.000 2.046 303 L HA 0.191 4.543 4.340 0.020 0.000 0.208 303 L C 0.487 177.267 176.870 -0.150 0.000 1.077 303 L CA 1.054 55.832 54.840 -0.102 0.000 0.747 303 L CB -0.095 41.908 42.059 -0.093 0.000 0.896 303 L HN 0.258 nan 8.230 nan 0.000 0.432 304 I N 1.556 122.029 120.570 -0.161 0.000 2.452 304 I HA 0.130 4.312 4.170 0.020 0.000 0.287 304 I C -1.830 174.249 176.117 -0.063 0.000 1.079 304 I CA -1.738 59.453 61.300 -0.181 0.000 1.387 304 I CB -0.216 37.734 38.000 -0.084 0.000 1.404 304 I HN 0.031 nan 8.210 nan 0.000 0.522 305 P HA 0.058 nan 4.420 nan 0.000 0.268 305 P C 0.478 177.798 177.300 0.032 0.000 1.208 305 P CA -0.146 62.974 63.100 0.034 0.000 0.777 305 P CB 0.859 32.609 31.700 0.084 0.000 0.875 306 D N -0.510 119.906 120.400 0.028 0.000 2.117 306 D HA -0.094 4.558 4.640 0.020 0.000 0.197 306 D C 0.787 177.111 176.300 0.041 0.000 0.987 306 D CA 1.317 55.334 54.000 0.028 0.000 0.829 306 D CB -0.333 40.480 40.800 0.022 0.000 0.961 306 D HN 0.299 nan 8.370 nan 0.000 0.460 307 S N 1.344 117.072 115.700 0.047 0.000 2.510 307 S HA 0.087 4.569 4.470 0.020 0.000 0.279 307 S C -1.438 173.203 174.600 0.067 0.000 1.284 307 S CA -1.369 56.863 58.200 0.053 0.000 1.059 307 S CB 1.362 64.592 63.200 0.049 0.000 0.901 307 S HN -0.094 nan 8.310 nan 0.000 0.491 308 P HA -0.054 nan 4.420 nan 0.000 0.220 308 P C 0.271 177.621 177.300 0.083 0.000 1.148 308 P CA 1.049 64.197 63.100 0.080 0.000 0.803 308 P CB 0.091 31.842 31.700 0.085 0.000 0.782 309 N N -0.987 117.756 118.700 0.072 0.000 2.205 309 N HA 0.022 4.773 4.740 0.020 0.000 0.201 309 N C 0.735 176.280 175.510 0.059 0.000 1.128 309 N CA 0.043 53.130 53.050 0.062 0.000 0.867 309 N CB 0.230 38.749 38.487 0.053 0.000 0.996 309 N HN 0.338 nan 8.380 nan 0.000 0.503 310 Q N 2.449 122.293 119.800 0.074 0.000 2.286 310 Q HA 0.185 4.537 4.340 0.020 0.000 0.267 310 Q C -2.414 173.652 176.000 0.109 0.000 1.028 310 Q CA -1.449 54.402 55.803 0.080 0.000 0.901 310 Q CB 0.855 29.643 28.738 0.083 0.000 1.183 310 Q HN -0.007 nan 8.270 nan 0.000 0.392 311 P HA 0.090 nan 4.420 nan 0.000 0.274 311 P C -1.591 175.772 177.300 0.104 0.000 1.237 311 P CA 0.086 63.188 63.100 0.003 0.000 0.793 311 P CB 0.283 31.961 31.700 -0.037 0.000 0.977 312 Y N -2.235 118.078 120.300 0.022 0.000 2.581 312 Y HA 0.588 5.150 4.550 0.020 0.000 0.345 312 Y C -0.651 175.266 175.900 0.028 0.000 1.036 312 Y CA -1.793 56.325 58.100 0.030 0.000 1.042 312 Y CB 0.561 39.044 38.460 0.038 0.000 1.289 312 Y HN 0.120 nan 8.280 nan 0.000 0.471 313 D N 2.356 122.828 120.400 0.120 0.000 2.339 313 D HA 0.041 4.693 4.640 0.020 0.000 0.256 313 D C 0.697 177.078 176.300 0.136 0.000 1.214 313 D CA -0.063 53.985 54.000 0.080 0.000 0.877 313 D CB 1.399 42.283 40.800 0.139 0.000 1.111 313 D HN 0.801 nan 8.370 nan 0.000 0.478 314 M N 4.625 124.206 119.600 -0.030 0.000 2.374 314 M HA -0.119 4.373 4.480 0.020 0.000 0.264 314 M C 1.416 177.675 176.300 -0.069 0.000 1.067 314 M CA 1.401 56.690 55.300 -0.019 0.000 1.103 314 M CB -0.287 32.212 32.600 -0.169 0.000 1.402 314 M HN 0.468 nan 8.290 nan 0.000 0.444 315 H N 0.059 119.121 119.070 -0.014 0.000 2.426 315 H HA -0.144 4.424 4.556 0.020 0.000 0.298 315 H C 1.724 177.050 175.328 -0.002 0.000 1.107 315 H CA 1.714 57.740 56.048 -0.036 0.000 1.298 315 H CB -0.196 29.576 29.762 0.017 0.000 1.377 315 H HN 0.448 nan 8.280 nan 0.000 0.519 316 E N 0.536 120.837 120.200 0.168 0.000 2.153 316 E HA -0.094 4.268 4.350 0.020 0.000 0.194 316 E C 2.529 179.193 176.600 0.106 0.000 0.988 316 E CA 0.502 56.982 56.400 0.134 0.000 0.811 316 E CB -0.161 29.630 29.700 0.153 0.000 0.746 316 E HN 0.299 nan 8.360 nan 0.000 0.466 317 V N 1.186 121.165 119.914 0.108 0.000 2.346 317 V HA -0.167 3.964 4.120 0.020 0.000 0.244 317 V C 2.420 178.530 176.094 0.027 0.000 1.037 317 V CA 1.040 63.405 62.300 0.108 0.000 1.029 317 V CB -0.423 31.474 31.823 0.123 0.000 0.663 317 V HN 0.137 nan 8.190 nan 0.000 0.454 318 I N 1.404 121.925 120.570 -0.082 0.000 2.127 318 I HA -0.290 3.892 4.170 0.020 0.000 0.241 318 I C 2.838 178.884 176.117 -0.118 0.000 1.075 318 I CA 2.276 63.450 61.300 -0.209 0.000 1.334 318 I CB -0.834 36.837 38.000 -0.548 0.000 1.040 318 I HN 0.523 nan 8.210 nan 0.000 0.405 319 T N -0.976 113.549 114.554 -0.049 0.000 2.833 319 T HA -0.164 4.198 4.350 0.020 0.000 0.269 319 T C 1.954 176.684 174.700 0.049 0.000 1.054 319 T CA 0.983 63.099 62.100 0.028 0.000 1.135 319 T CB -0.406 68.507 68.868 0.076 0.000 0.869 319 T HN 0.315 nan 8.240 nan 0.000 0.466 320 R N 0.445 120.975 120.500 0.050 0.000 2.189 320 R HA 0.264 4.616 4.340 0.020 0.000 0.218 320 R C 2.329 178.669 176.300 0.066 0.000 1.074 320 R CA 0.698 56.834 56.100 0.059 0.000 0.991 320 R CB -0.387 29.951 30.300 0.063 0.000 0.883 320 R HN 0.420 nan 8.270 nan 0.000 0.457 321 L N 0.430 121.690 121.223 0.061 0.000 2.270 321 L HA 0.059 4.411 4.340 0.020 0.000 0.210 321 L C 0.785 177.698 176.870 0.073 0.000 1.104 321 L CA 0.420 55.303 54.840 0.073 0.000 0.804 321 L CB -0.027 42.072 42.059 0.066 0.000 0.937 321 L HN 0.058 nan 8.230 nan 0.000 0.450 322 L N -0.468 120.796 121.223 0.069 0.000 2.360 322 L HA 0.170 4.521 4.340 0.020 0.000 0.271 322 L C 0.970 177.903 176.870 0.104 0.000 1.057 322 L CA -0.682 54.216 54.840 0.096 0.000 0.803 322 L CB 0.951 43.081 42.059 0.118 0.000 1.207 322 L HN -0.072 nan 8.230 nan 0.000 0.445 323 D N 0.109 120.579 120.400 0.117 0.000 2.104 323 D HA -0.132 4.519 4.640 0.020 0.000 0.194 323 D C 0.503 176.873 176.300 0.117 0.000 0.994 323 D CA 1.593 55.660 54.000 0.113 0.000 0.830 323 D CB 0.309 41.184 40.800 0.126 0.000 0.959 323 D HN 0.541 nan 8.370 nan 0.000 0.452 324 D N -0.977 119.508 120.400 0.142 0.000 3.808 324 D HA 0.138 4.790 4.640 0.020 0.000 0.179 324 D C -0.064 176.334 176.300 0.163 0.000 1.365 324 D CA -0.471 53.613 54.000 0.140 0.000 1.305 324 D CB 0.617 41.504 40.800 0.144 0.000 1.303 324 D HN -0.099 nan 8.370 nan 0.000 0.438 325 E N 0.197 120.505 120.200 0.180 0.000 2.392 325 E HA 0.226 4.588 4.350 0.020 0.000 0.256 325 E C -0.772 176.008 176.600 0.300 0.000 1.145 325 E CA -0.060 56.464 56.400 0.206 0.000 0.929 325 E CB 0.914 30.710 29.700 0.160 0.000 0.998 325 E HN 0.107 nan 8.360 nan 0.000 0.442 326 F N 2.144 122.156 119.950 0.103 0.000 2.426 326 F HA 0.296 4.835 4.527 0.020 0.000 0.348 326 F C -1.056 174.778 175.800 0.057 0.000 1.124 326 F CA -1.203 56.843 58.000 0.076 0.000 1.008 326 F CB 0.708 39.761 39.000 0.087 0.000 1.139 326 F HN 0.203 nan 8.300 nan 0.000 0.452 327 L N 6.576 127.566 121.223 -0.388 0.000 2.288 327 L HA 0.349 4.700 4.340 0.020 0.000 0.283 327 L C -0.102 176.283 176.870 -0.810 0.000 1.072 327 L CA -0.008 54.556 54.840 -0.461 0.000 0.862 327 L CB 0.203 42.076 42.059 -0.310 0.000 1.245 327 L HN 0.697 nan 8.230 nan 0.000 0.432 328 E N 4.106 123.855 120.200 -0.752 0.000 2.338 328 E HA 0.230 4.591 4.350 0.020 0.000 0.272 328 E C -0.774 175.741 176.600 -0.142 0.000 1.029 328 E CA -0.446 55.583 56.400 -0.618 0.000 0.872 328 E CB 0.714 30.284 29.700 -0.217 0.000 1.015 328 E HN 0.467 nan 8.360 nan 0.000 0.417 329 I N 4.152 124.626 120.570 -0.159 0.000 2.412 329 I HA 0.065 4.247 4.170 0.020 0.000 0.296 329 I C 0.222 176.386 176.117 0.079 0.000 0.987 329 I CA -0.098 61.239 61.300 0.062 0.000 1.180 329 I CB 1.359 39.363 38.000 0.007 0.000 1.340 329 I HN 0.861 nan 8.210 nan 0.000 0.455 330 Q N 3.107 122.998 119.800 0.152 0.000 2.451 330 Q HA -0.250 4.102 4.340 0.020 0.000 0.305 330 Q C 1.228 177.285 176.000 0.095 0.000 1.345 330 Q CA 0.641 56.503 55.803 0.098 0.000 0.854 330 Q CB -1.024 27.781 28.738 0.112 0.000 1.162 330 Q HN 0.863 nan 8.270 nan 0.000 0.440 331 A N -0.314 122.559 122.820 0.087 0.000 1.972 331 A HA -0.034 4.297 4.320 0.020 0.000 0.219 331 A C 1.900 179.513 177.584 0.049 0.000 1.169 331 A CA 1.620 53.707 52.037 0.083 0.000 0.635 331 A CB -0.135 18.928 19.000 0.105 0.000 0.810 331 A HN 0.645 nan 8.150 nan 0.000 0.446 332 G N -2.946 105.876 108.800 0.037 0.000 3.284 332 G HA2 0.345 4.317 3.960 0.020 0.000 0.236 332 G HA3 0.345 4.317 3.960 0.020 0.000 0.236 332 G C -0.121 174.808 174.900 0.048 0.000 1.158 332 G CA 0.031 45.139 45.100 0.013 0.000 0.774 332 G HN 0.379 nan 8.290 nan 0.000 0.545 333 Y N 0.226 120.471 120.300 -0.091 0.000 2.462 333 Y HA 0.487 5.048 4.550 0.020 0.000 0.346 333 Y C 0.293 176.148 175.900 -0.076 0.000 0.976 333 Y CA -1.226 56.821 58.100 -0.089 0.000 1.044 333 Y CB 2.037 40.452 38.460 -0.075 0.000 1.230 333 Y HN 0.365 nan 8.280 nan 0.000 0.455 334 A N 4.690 127.138 122.820 -0.620 0.000 2.312 334 A HA -0.286 4.046 4.320 0.020 0.000 0.286 334 A C 0.826 178.266 177.584 -0.240 0.000 1.425 334 A CA 1.421 53.160 52.037 -0.497 0.000 0.748 334 A CB -1.771 16.843 19.000 -0.643 0.000 1.126 334 A HN 0.942 nan 8.150 nan 0.000 0.368 335 Q N 0.072 119.695 119.800 -0.294 0.000 2.515 335 Q HA -0.154 4.198 4.340 0.020 0.000 0.212 335 Q C 1.880 177.799 176.000 -0.136 0.000 0.970 335 Q CA 0.845 56.498 55.803 -0.250 0.000 0.941 335 Q CB -0.122 28.375 28.738 -0.400 0.000 0.998 335 Q HN 1.047 nan 8.270 nan 0.000 0.518 336 N N 0.415 119.093 118.700 -0.037 0.000 2.520 336 N HA -0.101 4.651 4.740 0.020 0.000 0.185 336 N C 0.461 175.948 175.510 -0.037 0.000 1.068 336 N CA 0.660 53.715 53.050 0.008 0.000 0.911 336 N CB 0.333 38.875 38.487 0.091 0.000 0.961 336 N HN 0.236 nan 8.380 nan 0.000 0.446 337 I N 0.170 120.708 120.570 -0.054 0.000 2.647 337 I HA 0.333 4.515 4.170 0.020 0.000 0.295 337 I C -1.390 174.681 176.117 -0.075 0.000 1.078 337 I CA -0.956 60.304 61.300 -0.067 0.000 1.048 337 I CB 2.580 40.555 38.000 -0.041 0.000 1.239 337 I HN -0.305 nan 8.210 nan 0.000 0.421 338 V N 7.228 127.080 119.914 -0.103 0.000 2.487 338 V HA 0.574 4.705 4.120 0.020 0.000 0.298 338 V C -0.627 175.409 176.094 -0.098 0.000 1.028 338 V CA -0.596 61.650 62.300 -0.090 0.000 0.860 338 V CB 1.790 33.490 31.823 -0.205 0.000 0.991 338 V HN 0.440 nan 8.190 nan 0.000 0.427 339 V N 3.488 123.318 119.914 -0.140 0.000 2.789 339 V HA 1.042 5.173 4.120 0.020 0.000 0.311 339 V C 0.316 176.067 176.094 -0.572 0.000 1.073 339 V CA 0.500 62.511 62.300 -0.482 0.000 0.921 339 V CB 1.955 33.403 31.823 -0.624 0.000 1.009 339 V HN 1.169 nan 8.190 nan 0.000 0.426 340 G N 3.150 111.511 108.800 -0.732 0.000 2.317 340 G HA2 0.451 4.423 3.960 0.020 0.000 0.293 340 G HA3 0.451 4.423 3.960 0.020 0.000 0.293 340 G C -2.030 172.644 174.900 -0.378 0.000 1.287 340 G CA -0.641 43.995 45.100 -0.774 0.000 0.850 340 G HN 0.340 nan 8.290 nan 0.000 0.515 341 F N 0.328 120.102 119.950 -0.293 0.000 2.458 341 F HA 0.832 5.371 4.527 0.020 0.000 0.330 341 F C 0.968 176.532 175.800 -0.395 0.000 1.082 341 F CA 0.388 58.126 58.000 -0.437 0.000 0.995 341 F CB 2.238 40.564 39.000 -1.123 0.000 1.170 341 F HN 0.842 nan 8.300 nan 0.000 0.478 342 G N 1.547 110.361 108.800 0.023 0.000 2.749 342 G HA2 0.687 4.659 3.960 0.020 0.000 0.300 342 G HA3 0.687 4.659 3.960 0.020 0.000 0.300 342 G C -1.673 173.414 174.900 0.313 0.000 1.352 342 G CA -1.095 44.142 45.100 0.229 0.000 0.789 342 G HN 0.463 nan 8.290 nan 0.000 0.509 343 R N -0.774 119.895 120.500 0.282 0.000 2.670 343 R HA 0.641 4.992 4.340 0.020 0.000 0.289 343 R C -1.085 175.297 176.300 0.136 0.000 0.965 343 R CA -0.702 55.506 56.100 0.180 0.000 0.899 343 R CB 2.411 32.765 30.300 0.090 0.000 1.173 343 R HN 0.354 nan 8.270 nan 0.000 0.456 344 I N 1.748 122.383 120.570 0.109 0.000 2.447 344 I HA 0.102 4.284 4.170 0.020 0.000 0.287 344 I C -0.449 175.716 176.117 0.080 0.000 1.023 344 I CA -0.480 60.877 61.300 0.095 0.000 1.083 344 I CB 1.887 39.944 38.000 0.095 0.000 1.245 344 I HN 0.698 nan 8.210 nan 0.000 0.434 345 D N 5.309 125.755 120.400 0.077 0.000 2.708 345 D HA -0.200 4.451 4.640 0.020 0.000 0.236 345 D C 1.105 177.448 176.300 0.071 0.000 1.146 345 D CA 1.712 55.753 54.000 0.068 0.000 0.662 345 D CB -0.666 40.167 40.800 0.056 0.000 1.059 345 D HN 1.111 nan 8.370 nan 0.000 0.428 346 G N -0.130 108.720 108.800 0.083 0.000 2.205 346 G HA2 -0.348 3.624 3.960 0.020 0.000 0.261 346 G HA3 -0.348 3.624 3.960 0.020 0.000 0.261 346 G C 0.240 175.142 174.900 0.003 0.000 0.980 346 G CA 0.454 45.603 45.100 0.082 0.000 0.632 346 G HN 0.781 nan 8.290 nan 0.000 0.533 347 R N 0.164 120.680 120.500 0.025 0.000 2.338 347 R HA 0.550 4.901 4.340 0.020 0.000 0.317 347 R C -3.153 173.177 176.300 0.051 0.000 0.968 347 R CA -2.292 53.820 56.100 0.020 0.000 0.849 347 R CB 1.510 31.834 30.300 0.040 0.000 1.128 347 R HN 0.028 nan 8.270 nan 0.000 0.448 348 P HA -0.096 nan 4.420 nan 0.000 0.262 348 P C -0.407 176.995 177.300 0.170 0.000 1.182 348 P CA 0.048 63.250 63.100 0.170 0.000 0.761 348 P CB 0.747 32.533 31.700 0.143 0.000 0.795 349 V N 0.968 121.012 119.914 0.217 0.000 3.007 349 V HA 0.918 5.050 4.120 0.020 0.000 0.311 349 V C -0.100 176.175 176.094 0.301 0.000 1.120 349 V CA -1.038 61.388 62.300 0.211 0.000 0.980 349 V CB 2.127 34.046 31.823 0.160 0.000 1.033 349 V HN 0.549 nan 8.190 nan 0.000 0.429 350 G N 3.667 112.634 108.800 0.279 0.000 2.384 350 G HA2 0.633 4.605 3.960 0.020 0.000 0.316 350 G HA3 0.633 4.605 3.960 0.020 0.000 0.316 350 G C -0.606 174.498 174.900 0.340 0.000 1.160 350 G CA -0.609 44.694 45.100 0.338 0.000 0.936 350 G HN 0.618 nan 8.290 nan 0.000 0.455 351 I N 2.538 123.290 120.570 0.303 0.000 2.365 351 I HA 0.270 4.452 4.170 0.020 0.000 0.291 351 I C -0.193 175.990 176.117 0.110 0.000 1.004 351 I CA -0.548 60.846 61.300 0.157 0.000 1.311 351 I CB 1.457 39.490 38.000 0.054 0.000 1.401 351 I HN 0.021 nan 8.210 nan 0.000 0.491 352 V N 5.754 125.713 119.914 0.075 0.000 2.443 352 V HA 0.736 4.868 4.120 0.020 0.000 0.293 352 V C -0.053 176.008 176.094 -0.055 0.000 1.021 352 V CA -0.548 61.765 62.300 0.022 0.000 0.848 352 V CB 1.607 33.498 31.823 0.113 0.000 0.998 352 V HN 0.887 nan 8.190 nan 0.000 0.424 353 A N 4.069 126.828 122.820 -0.102 0.000 2.408 353 A HA 0.711 5.043 4.320 0.020 0.000 0.295 353 A C -0.514 176.982 177.584 -0.147 0.000 1.040 353 A CA -0.789 51.161 52.037 -0.144 0.000 0.707 353 A CB 0.967 19.850 19.000 -0.195 0.000 1.235 353 A HN 0.836 nan 8.150 nan 0.000 0.418 354 N N 1.328 119.939 118.700 -0.149 0.000 2.492 354 N HA 0.355 5.107 4.740 0.020 0.000 0.262 354 N C -0.207 175.197 175.510 -0.176 0.000 1.202 354 N CA 0.059 53.020 53.050 -0.147 0.000 0.926 354 N CB 0.605 39.001 38.487 -0.153 0.000 1.078 354 N HN 0.640 nan 8.380 nan 0.000 0.454 355 Q N 3.189 122.893 119.800 -0.159 0.000 2.431 355 Q HA 0.338 4.690 4.340 0.020 0.000 0.249 355 Q C -2.304 173.585 176.000 -0.186 0.000 1.025 355 Q CA -2.145 53.550 55.803 -0.180 0.000 0.835 355 Q CB 1.465 30.131 28.738 -0.121 0.000 1.207 355 Q HN 0.346 nan 8.270 nan 0.000 0.490 356 P HA -0.104 nan 4.420 nan 0.000 0.221 356 P C 0.574 177.762 177.300 -0.186 0.000 1.145 356 P CA 1.091 64.014 63.100 -0.294 0.000 0.795 356 P CB 0.409 31.755 31.700 -0.591 0.000 0.775 357 T N -2.358 112.100 114.554 -0.159 0.000 3.072 357 T HA -0.089 4.273 4.350 0.020 0.000 0.266 357 T C 0.445 175.149 174.700 0.006 0.000 1.127 357 T CA 0.834 62.895 62.100 -0.065 0.000 1.107 357 T CB -0.558 68.282 68.868 -0.047 0.000 0.910 357 T HN 0.189 nan 8.240 nan 0.000 0.513 358 H N -0.960 118.022 119.070 -0.146 0.000 2.934 358 H HA 0.188 4.756 4.556 0.020 0.000 0.340 358 H C -0.474 174.768 175.328 -0.143 0.000 1.008 358 H CA -0.761 55.150 56.048 -0.229 0.000 1.317 358 H CB 0.342 29.893 29.762 -0.351 0.000 1.670 358 H HN 0.262 nan 8.280 nan 0.000 0.516 359 F N 2.931 122.600 119.950 -0.467 0.000 3.093 359 F HA -0.364 4.174 4.527 0.020 0.000 0.287 359 F C 1.266 176.962 175.800 -0.172 0.000 0.882 359 F CA 0.372 58.184 58.000 -0.313 0.000 1.063 359 F CB -1.542 37.283 39.000 -0.292 0.000 1.097 359 F HN 0.809 nan 8.300 nan 0.000 0.604 360 A N -1.084 121.746 122.820 0.018 0.000 2.816 360 A HA -0.013 4.319 4.320 0.020 0.000 0.270 360 A C 1.824 179.378 177.584 -0.051 0.000 1.413 360 A CA 1.736 53.760 52.037 -0.022 0.000 0.866 360 A CB -1.944 17.053 19.000 -0.004 0.000 1.032 360 A HN 2.429 nan 8.150 nan 0.000 0.642 361 G N -3.313 105.458 108.800 -0.048 0.000 2.162 361 G HA2 -0.219 3.753 3.960 0.020 0.000 0.260 361 G HA3 -0.219 3.753 3.960 0.020 0.000 0.260 361 G C 0.695 175.559 174.900 -0.061 0.000 0.976 361 G CA 0.592 45.647 45.100 -0.076 0.000 0.655 361 G HN 1.776 nan 8.290 nan 0.000 0.533 362 C N 1.029 120.319 119.300 -0.017 0.000 2.634 362 C HA 0.389 4.861 4.460 0.020 0.000 0.417 362 C C 1.607 176.589 174.990 -0.012 0.000 1.334 362 C CA -0.341 58.648 59.018 -0.048 0.000 1.829 362 C CB -0.634 27.088 27.740 -0.029 0.000 2.665 362 C HN 0.499 nan 8.230 nan 0.000 0.614 363 L N 4.745 125.904 121.223 -0.107 0.000 2.452 363 L HA 0.345 4.697 4.340 0.020 0.000 0.267 363 L C 0.439 177.401 176.870 0.153 0.000 1.188 363 L CA 0.506 55.351 54.840 0.009 0.000 0.821 363 L CB 0.403 42.433 42.059 -0.049 0.000 1.102 363 L HN 0.793 nan 8.230 nan 0.000 0.470 364 D N 1.012 121.514 120.400 0.170 0.000 2.812 364 D HA 0.233 4.885 4.640 0.020 0.000 0.318 364 D C 0.827 177.199 176.300 0.121 0.000 1.234 364 D CA -0.659 53.425 54.000 0.141 0.000 0.989 364 D CB 0.656 41.514 40.800 0.097 0.000 1.442 364 D HN 0.293 nan 8.370 nan 0.000 0.537 365 I N -0.010 120.605 120.570 0.075 0.000 2.118 365 I HA -0.301 3.881 4.170 0.020 0.000 0.241 365 I C 1.792 177.955 176.117 0.078 0.000 1.070 365 I CA 1.493 62.832 61.300 0.065 0.000 1.327 365 I CB -0.437 37.592 38.000 0.049 0.000 1.034 365 I HN 0.311 nan 8.210 nan 0.000 0.405 366 N N 0.880 119.608 118.700 0.047 0.000 2.142 366 N HA -0.088 4.663 4.740 0.020 0.000 0.186 366 N C 1.846 177.357 175.510 0.001 0.000 1.023 366 N CA 1.550 54.603 53.050 0.005 0.000 0.852 366 N CB -0.505 37.842 38.487 -0.234 0.000 0.998 366 N HN 0.352 nan 8.380 nan 0.000 0.424 367 A N 0.520 123.329 122.820 -0.017 0.000 1.908 367 A HA -0.116 4.216 4.320 0.020 0.000 0.218 367 A C 2.437 180.068 177.584 0.079 0.000 1.181 367 A CA 1.875 53.924 52.037 0.019 0.000 0.627 367 A CB -0.845 18.172 19.000 0.028 0.000 0.818 367 A HN 0.269 nan 8.150 nan 0.000 0.445 368 S N -0.254 115.506 115.700 0.100 0.000 2.370 368 S HA -0.196 4.286 4.470 0.020 0.000 0.226 368 S C 1.857 176.532 174.600 0.126 0.000 1.033 368 S CA 1.694 59.965 58.200 0.118 0.000 1.011 368 S CB -0.309 62.967 63.200 0.128 0.000 0.852 368 S HN 0.719 nan 8.310 nan 0.000 0.457 369 E N 0.812 121.093 120.200 0.135 0.000 2.076 369 E HA -0.106 4.256 4.350 0.020 0.000 0.190 369 E C 2.167 178.875 176.600 0.180 0.000 0.979 369 E CA 0.718 57.206 56.400 0.147 0.000 0.807 369 E CB -0.112 29.678 29.700 0.150 0.000 0.761 369 E HN 0.461 nan 8.360 nan 0.000 0.454 370 K N 1.281 121.815 120.400 0.224 0.000 2.032 370 K HA -0.165 4.167 4.320 0.020 0.000 0.209 370 K C 2.102 178.829 176.600 0.212 0.000 1.048 370 K CA 1.515 57.946 56.287 0.240 0.000 0.927 370 K CB -0.131 32.534 32.500 0.276 0.000 0.712 370 K HN 0.064 nan 8.250 nan 0.000 0.441 371 A N 0.848 123.770 122.820 0.171 0.000 1.929 371 A HA 0.069 4.401 4.320 0.020 0.000 0.216 371 A C 2.339 180.066 177.584 0.238 0.000 1.176 371 A CA 1.397 53.551 52.037 0.194 0.000 0.628 371 A CB -0.692 18.381 19.000 0.122 0.000 0.816 371 A HN 0.511 nan 8.150 nan 0.000 0.444 372 A N -0.328 122.606 122.820 0.190 0.000 1.883 372 A HA -0.194 4.137 4.320 0.020 0.000 0.217 372 A C 2.297 179.987 177.584 0.177 0.000 1.186 372 A CA 1.682 53.825 52.037 0.178 0.000 0.624 372 A CB -0.512 18.577 19.000 0.149 0.000 0.822 372 A HN 0.364 nan 8.150 nan 0.000 0.444 373 R N -1.759 118.849 120.500 0.181 0.000 2.115 373 R HA -0.080 4.272 4.340 0.020 0.000 0.230 373 R C 1.917 178.328 176.300 0.185 0.000 1.111 373 R CA 1.348 57.541 56.100 0.155 0.000 0.976 373 R CB -0.690 29.702 30.300 0.153 0.000 0.870 373 R HN 0.587 nan 8.270 nan 0.000 0.445 374 F N 0.912 120.929 119.950 0.111 0.000 2.095 374 F HA -0.216 4.323 4.527 0.019 0.000 0.298 374 F C 2.138 178.000 175.800 0.103 0.000 1.104 374 F CA 1.323 59.390 58.000 0.110 0.000 1.232 374 F CB -0.349 38.702 39.000 0.085 0.000 0.987 374 F HN -0.259 nan 8.300 nan 0.000 0.475 375 V N 1.136 121.112 119.914 0.103 0.000 2.407 375 V HA -0.282 3.850 4.120 0.020 0.000 0.248 375 V C 2.581 178.650 176.094 -0.041 0.000 1.055 375 V CA 2.042 64.356 62.300 0.024 0.000 1.049 375 V CB -0.645 31.275 31.823 0.163 0.000 0.662 375 V HN 0.288 nan 8.190 nan 0.000 0.455 376 R N -0.268 120.233 120.500 0.002 0.000 2.075 376 R HA -0.094 4.257 4.340 0.020 0.000 0.232 376 R C 2.357 178.610 176.300 -0.078 0.000 1.126 376 R CA 1.798 57.887 56.100 -0.018 0.000 0.963 376 R CB -0.944 29.372 30.300 0.027 0.000 0.858 376 R HN 0.519 nan 8.270 nan 0.000 0.435 377 T N 0.935 115.445 114.554 -0.073 0.000 2.708 377 T HA -0.162 4.200 4.350 0.020 0.000 0.266 377 T C 2.194 176.915 174.700 0.034 0.000 1.037 377 T CA 1.445 63.532 62.100 -0.021 0.000 1.146 377 T CB -0.438 68.430 68.868 -0.000 0.000 0.865 377 T HN 0.292 nan 8.240 nan 0.000 0.435 378 C N 1.385 120.620 119.300 -0.109 0.000 2.393 378 C HA -0.136 4.336 4.460 0.020 0.000 0.276 378 C C 2.672 177.645 174.990 -0.028 0.000 1.215 378 C CA 0.880 59.870 59.018 -0.047 0.000 1.743 378 C CB -1.132 26.488 27.740 -0.201 0.000 2.044 378 C HN 0.645 nan 8.230 nan 0.000 0.464 379 D N -0.444 119.904 120.400 -0.087 0.000 2.123 379 D HA -0.139 4.513 4.640 0.020 0.000 0.196 379 D C 2.049 178.258 176.300 -0.151 0.000 0.992 379 D CA 1.547 55.487 54.000 -0.101 0.000 0.833 379 D CB -0.254 40.481 40.800 -0.108 0.000 0.954 379 D HN 0.494 nan 8.370 nan 0.000 0.455 380 C N -0.431 118.715 119.300 -0.257 0.000 2.413 380 C HA -0.116 4.356 4.460 0.020 0.000 0.276 380 C C 1.806 176.446 174.990 -0.584 0.000 1.248 380 C CA 0.402 59.112 59.018 -0.514 0.000 1.742 380 C CB -1.319 25.905 27.740 -0.859 0.000 2.017 380 C HN 0.300 nan 8.230 nan 0.000 0.481 381 F N 1.410 121.359 119.950 -0.002 0.000 2.730 381 F HA 0.237 4.775 4.527 0.020 0.000 0.295 381 F C 0.922 176.722 175.800 -0.001 0.000 1.143 381 F CA -0.352 57.650 58.000 0.004 0.000 1.367 381 F CB -1.166 37.845 39.000 0.019 0.000 0.970 381 F HN 0.209 nan 8.300 nan 0.000 0.514 382 N N 0.297 119.038 118.700 0.069 0.000 2.741 382 N HA -0.187 4.564 4.740 0.020 0.000 0.251 382 N C -0.536 175.013 175.510 0.064 0.000 1.112 382 N CA 0.532 53.611 53.050 0.049 0.000 0.750 382 N CB -1.243 37.276 38.487 0.054 0.000 1.119 382 N HN 0.143 nan 8.380 nan 0.000 0.561 383 I N 1.143 121.766 120.570 0.087 0.000 2.352 383 I HA 0.244 4.426 4.170 0.020 0.000 0.290 383 I C -1.818 174.344 176.117 0.075 0.000 1.036 383 I CA -2.118 59.246 61.300 0.107 0.000 1.336 383 I CB 0.264 38.381 38.000 0.194 0.000 1.407 383 I HN -0.261 nan 8.210 nan 0.000 0.497 384 P HA 0.145 nan 4.420 nan 0.000 0.266 384 P C -0.368 176.982 177.300 0.083 0.000 1.195 384 P CA 0.155 63.292 63.100 0.061 0.000 0.768 384 P CB 0.559 32.300 31.700 0.069 0.000 0.838 385 I N 2.674 123.285 120.570 0.068 0.000 2.312 385 I HA 0.195 4.376 4.170 0.020 0.000 0.290 385 I C -0.334 175.863 176.117 0.133 0.000 1.008 385 I CA -0.576 60.793 61.300 0.114 0.000 1.226 385 I CB 1.301 39.370 38.000 0.115 0.000 1.371 385 I HN -0.030 nan 8.210 nan 0.000 0.468 386 V N 7.557 127.551 119.914 0.134 0.000 2.334 386 V HA 0.395 4.527 4.120 0.020 0.000 0.281 386 V C 0.175 176.310 176.094 0.069 0.000 1.016 386 V CA -0.460 61.898 62.300 0.097 0.000 0.832 386 V CB 1.320 33.191 31.823 0.081 0.000 0.999 386 V HN 0.669 nan 8.190 nan 0.000 0.439 387 M N 5.829 125.453 119.600 0.039 0.000 2.209 387 M HA 0.543 5.035 4.480 0.020 0.000 0.355 387 M C -0.924 175.319 176.300 -0.096 0.000 1.171 387 M CA -0.318 54.963 55.300 -0.032 0.000 1.069 387 M CB 1.384 33.936 32.600 -0.081 0.000 1.622 387 M HN 0.440 nan 8.290 nan 0.000 0.459 388 L N 4.506 125.650 121.223 -0.131 0.000 2.294 388 L HA 0.526 4.877 4.340 0.020 0.000 0.283 388 L C -0.897 175.850 176.870 -0.205 0.000 1.015 388 L CA -0.896 53.825 54.840 -0.199 0.000 0.831 388 L CB 0.994 42.933 42.059 -0.201 0.000 1.217 388 L HN 0.353 nan 8.230 nan 0.000 0.420 389 V N 1.888 121.660 119.914 -0.236 0.000 2.370 389 V HA 0.396 4.528 4.120 0.020 0.000 0.283 389 V C -0.612 175.360 176.094 -0.204 0.000 1.023 389 V CA -0.224 61.950 62.300 -0.209 0.000 0.857 389 V CB 1.650 33.354 31.823 -0.198 0.000 0.985 389 V HN 0.665 nan 8.190 nan 0.000 0.443 390 D N 4.005 124.300 120.400 -0.175 0.000 2.381 390 D HA 0.284 4.936 4.640 0.020 0.000 0.245 390 D C -1.522 174.674 176.300 -0.172 0.000 1.297 390 D CA -0.064 53.843 54.000 -0.155 0.000 0.931 390 D CB 1.754 42.506 40.800 -0.079 0.000 1.334 390 D HN 0.328 nan 8.370 nan 0.000 0.535 391 V N 5.526 125.319 119.914 -0.202 0.000 2.447 391 V HA 0.454 4.586 4.120 0.020 0.000 0.292 391 V C -2.001 173.975 176.094 -0.196 0.000 1.021 391 V CA -2.006 60.175 62.300 -0.199 0.000 0.850 391 V CB 2.367 34.059 31.823 -0.218 0.000 1.005 391 V HN 0.242 nan 8.190 nan 0.000 0.426 392 P HA 0.295 nan 4.420 nan 0.000 0.227 392 P C 0.651 177.989 177.300 0.064 0.000 1.161 392 P CA 1.313 64.436 63.100 0.038 0.000 0.788 392 P CB 0.281 32.018 31.700 0.062 0.000 0.822 393 G N -1.824 106.894 108.800 -0.136 0.000 2.373 393 G HA2 0.191 4.163 3.960 0.020 0.000 0.250 393 G HA3 0.191 4.163 3.960 0.020 0.000 0.250 393 G C -1.711 172.888 174.900 -0.501 0.000 1.304 393 G CA -0.870 44.074 45.100 -0.260 0.000 0.948 393 G HN -0.062 nan 8.290 nan 0.000 0.474 394 F N 0.785 120.732 119.950 -0.006 0.000 2.422 394 F HA 0.580 5.119 4.527 0.019 0.000 0.333 394 F C 0.992 176.749 175.800 -0.072 0.000 1.095 394 F CA -0.843 57.138 58.000 -0.033 0.000 1.038 394 F CB 1.803 40.783 39.000 -0.033 0.000 1.156 394 F HN 0.285 nan 8.300 nan 0.000 0.483 395 L N 5.222 126.474 121.223 0.050 0.000 2.700 395 L HA 0.089 4.441 4.340 0.020 0.000 0.272 395 L C -2.183 174.631 176.870 -0.093 0.000 1.176 395 L CA -1.173 53.593 54.840 -0.122 0.000 0.961 395 L CB 0.258 42.145 42.059 -0.287 0.000 1.249 395 L HN 0.342 nan 8.230 nan 0.000 0.487 396 P HA 0.404 nan 4.420 nan 0.000 0.275 396 P C -0.519 176.702 177.300 -0.131 0.000 1.227 396 P CA -0.203 62.846 63.100 -0.085 0.000 0.781 396 P CB 1.233 32.895 31.700 -0.063 0.000 0.906 397 G N 0.128 108.846 108.800 -0.136 0.000 2.341 397 G HA2 0.132 4.103 3.960 0.020 0.000 0.300 397 G HA3 0.132 4.103 3.960 0.020 0.000 0.300 397 G C 0.432 175.194 174.900 -0.230 0.000 1.706 397 G CA -0.390 44.610 45.100 -0.166 0.000 0.916 397 G HN 0.319 nan 8.290 nan 0.000 0.716 398 T N 0.455 114.839 114.554 -0.284 0.000 2.635 398 T HA -0.121 4.241 4.350 0.020 0.000 0.267 398 T C 1.974 176.233 174.700 -0.735 0.000 1.040 398 T CA 2.289 64.055 62.100 -0.555 0.000 1.156 398 T CB -0.215 68.418 68.868 -0.391 0.000 0.863 398 T HN 0.513 nan 8.240 nan 0.000 0.430 399 D N 0.599 120.785 120.400 -0.356 0.000 2.218 399 D HA -0.066 4.586 4.640 0.020 0.000 0.204 399 D C 2.436 178.657 176.300 -0.133 0.000 0.976 399 D CA 0.672 54.568 54.000 -0.173 0.000 0.853 399 D CB -0.188 40.588 40.800 -0.041 0.000 0.939 399 D HN 0.390 nan 8.370 nan 0.000 0.481 400 Q N 0.570 120.275 119.800 -0.158 0.000 2.050 400 Q HA -0.139 4.213 4.340 0.020 0.000 0.202 400 Q C 2.035 177.973 176.000 -0.103 0.000 0.980 400 Q CA 0.920 56.659 55.803 -0.107 0.000 0.840 400 Q CB -0.158 28.515 28.738 -0.108 0.000 0.898 400 Q HN 0.411 nan 8.270 nan 0.000 0.424 401 E N 0.026 120.121 120.200 -0.175 0.000 2.051 401 E HA -0.149 4.213 4.350 0.020 0.000 0.192 401 E C 2.106 178.722 176.600 0.027 0.000 0.991 401 E CA 1.029 57.361 56.400 -0.112 0.000 0.799 401 E CB -0.423 29.186 29.700 -0.152 0.000 0.748 401 E HN 0.578 nan 8.360 nan 0.000 0.449 402 Y N 0.788 121.076 120.300 -0.021 0.000 2.224 402 Y HA -0.118 4.444 4.550 0.020 0.000 0.289 402 Y C 1.971 177.865 175.900 -0.010 0.000 1.146 402 Y CA 0.401 58.493 58.100 -0.014 0.000 1.182 402 Y CB 0.013 38.467 38.460 -0.011 0.000 0.983 402 Y HN 0.032 nan 8.280 nan 0.000 0.524 403 N N -0.650 118.130 118.700 0.133 0.000 2.398 403 N HA 0.076 4.828 4.740 0.020 0.000 0.188 403 N C 0.904 176.443 175.510 0.048 0.000 1.122 403 N CA 1.053 54.152 53.050 0.080 0.000 0.866 403 N CB 0.762 39.287 38.487 0.063 0.000 0.970 403 N HN 0.416 nan 8.380 nan 0.000 0.462 404 G N 1.009 109.831 108.800 0.036 0.000 2.226 404 G HA2 -0.219 3.752 3.960 0.020 0.000 0.176 404 G HA3 -0.219 3.752 3.960 0.020 0.000 0.176 404 G C 0.780 175.673 174.900 -0.011 0.000 1.042 404 G CA -0.005 45.103 45.100 0.014 0.000 0.732 404 G HN 0.237 nan 8.290 nan 0.000 0.494 405 I N 0.402 120.951 120.570 -0.035 0.000 2.194 405 I HA -0.123 4.059 4.170 0.020 0.000 0.246 405 I C 2.521 178.572 176.117 -0.110 0.000 1.093 405 I CA 1.945 63.202 61.300 -0.072 0.000 1.355 405 I CB -0.248 37.685 38.000 -0.111 0.000 1.046 405 I HN 0.522 nan 8.210 nan 0.000 0.413 406 I N -0.047 120.461 120.570 -0.103 0.000 2.113 406 I HA -0.320 3.862 4.170 0.020 0.000 0.238 406 I C 2.720 178.798 176.117 -0.064 0.000 1.070 406 I CA 1.798 63.035 61.300 -0.106 0.000 1.332 406 I CB -0.558 37.395 38.000 -0.079 0.000 1.044 406 I HN 0.211 nan 8.210 nan 0.000 0.402 407 R N 1.106 121.584 120.500 -0.036 0.000 2.081 407 R HA -0.132 4.220 4.340 0.020 0.000 0.235 407 R C 2.377 178.669 176.300 -0.013 0.000 1.131 407 R CA 1.512 57.599 56.100 -0.021 0.000 0.960 407 R CB -0.022 30.270 30.300 -0.013 0.000 0.856 407 R HN 0.294 nan 8.270 nan 0.000 0.436 408 R N -1.176 119.320 120.500 -0.008 0.000 2.156 408 R HA 0.123 4.474 4.340 0.020 0.000 0.207 408 R C 2.317 178.632 176.300 0.026 0.000 1.040 408 R CA 0.738 56.846 56.100 0.013 0.000 1.013 408 R CB -0.080 30.235 30.300 0.025 0.000 0.931 408 R HN 0.316 nan 8.270 nan 0.000 0.465 409 G N 1.161 109.961 108.800 -0.000 0.000 2.408 409 G HA2 -0.246 3.726 3.960 0.020 0.000 0.217 409 G HA3 -0.246 3.726 3.960 0.020 0.000 0.217 409 G C 1.562 176.482 174.900 0.034 0.000 1.150 409 G CA 0.718 45.825 45.100 0.013 0.000 0.776 409 G HN 0.356 nan 8.290 nan 0.000 0.542 410 A N 0.995 123.821 122.820 0.010 0.000 1.978 410 A HA -0.066 4.266 4.320 0.020 0.000 0.220 410 A C 2.256 179.898 177.584 0.097 0.000 1.170 410 A CA 2.001 54.065 52.037 0.044 0.000 0.636 410 A CB -0.370 18.646 19.000 0.027 0.000 0.810 410 A HN 0.413 nan 8.150 nan 0.000 0.448 411 K N -1.044 119.404 120.400 0.080 0.000 2.113 411 K HA -0.167 4.165 4.320 0.020 0.000 0.208 411 K C 1.816 178.516 176.600 0.168 0.000 1.047 411 K CA 1.457 57.806 56.287 0.104 0.000 0.928 411 K CB -0.324 32.214 32.500 0.064 0.000 0.716 411 K HN 0.424 nan 8.250 nan 0.000 0.446 412 L N 1.137 122.446 121.223 0.144 0.000 2.109 412 L HA -0.062 4.290 4.340 0.020 0.000 0.207 412 L C 1.777 178.740 176.870 0.154 0.000 1.086 412 L CA 1.319 56.249 54.840 0.150 0.000 0.760 412 L CB -0.293 41.840 42.059 0.123 0.000 0.910 412 L HN 0.122 nan 8.230 nan 0.000 0.437 413 L N -1.634 119.670 121.223 0.135 0.000 1.990 413 L HA -0.312 4.040 4.340 0.020 0.000 0.213 413 L C 2.514 179.474 176.870 0.149 0.000 1.072 413 L CA 2.072 56.985 54.840 0.121 0.000 0.755 413 L CB -0.881 41.235 42.059 0.095 0.000 0.889 413 L HN 0.327 nan 8.230 nan 0.000 0.432 414 Y N 0.361 120.698 120.300 0.062 0.000 2.128 414 Y HA -0.351 4.210 4.550 0.019 0.000 0.284 414 Y C 2.496 178.428 175.900 0.053 0.000 1.154 414 Y CA 1.655 59.784 58.100 0.048 0.000 1.149 414 Y CB -0.267 38.214 38.460 0.035 0.000 0.976 414 Y HN 0.152 nan 8.280 nan 0.000 0.505 415 A N -0.641 122.345 122.820 0.276 0.000 1.883 415 A HA -0.282 4.050 4.320 0.020 0.000 0.217 415 A C 2.128 179.758 177.584 0.077 0.000 1.186 415 A CA 1.982 54.131 52.037 0.187 0.000 0.624 415 A CB -1.544 17.573 19.000 0.196 0.000 0.822 415 A HN 0.714 nan 8.150 nan 0.000 0.444 416 Y N 0.356 120.651 120.300 -0.008 0.000 2.184 416 Y HA 0.064 4.626 4.550 0.020 0.000 0.290 416 Y C 2.584 178.434 175.900 -0.084 0.000 1.129 416 Y CA 1.326 59.404 58.100 -0.037 0.000 1.144 416 Y CB -0.758 37.684 38.460 -0.030 0.000 0.995 416 Y HN 0.256 nan 8.280 nan 0.000 0.513 417 G N -0.290 108.518 108.800 0.013 0.000 2.469 417 G HA2 -0.348 3.624 3.960 0.020 0.000 0.220 417 G HA3 -0.348 3.624 3.960 0.020 0.000 0.220 417 G C 1.564 176.331 174.900 -0.222 0.000 1.136 417 G CA 1.119 46.156 45.100 -0.105 0.000 0.759 417 G HN 0.533 nan 8.290 nan 0.000 0.562 418 E N 0.660 120.680 120.200 -0.301 0.000 2.152 418 E HA 0.194 4.556 4.350 0.020 0.000 0.192 418 E C 1.580 178.058 176.600 -0.203 0.000 0.983 418 E CA 0.244 56.465 56.400 -0.299 0.000 0.818 418 E CB -0.156 29.326 29.700 -0.363 0.000 0.758 418 E HN 0.341 nan 8.360 nan 0.000 0.467 419 A N 0.710 123.400 122.820 -0.217 0.000 2.511 419 A HA 0.065 4.397 4.320 0.020 0.000 0.242 419 A C 0.948 178.409 177.584 -0.205 0.000 1.069 419 A CA 0.699 52.608 52.037 -0.212 0.000 0.763 419 A CB 0.307 19.143 19.000 -0.272 0.000 1.001 419 A HN 0.383 nan 8.150 nan 0.000 0.498 420 T N -0.424 114.041 114.554 -0.148 0.000 2.975 420 T HA 0.276 4.638 4.350 0.020 0.000 0.257 420 T C 0.685 175.328 174.700 -0.095 0.000 1.003 420 T CA 0.495 62.524 62.100 -0.118 0.000 0.932 420 T CB -1.312 67.504 68.868 -0.087 0.000 1.087 420 T HN 1.364 nan 8.240 nan 0.000 0.512 421 V N 0.165 120.023 119.914 -0.092 0.000 3.367 421 V HA 0.314 4.446 4.120 0.020 0.000 0.304 421 V C -2.660 173.397 176.094 -0.062 0.000 1.131 421 V CA -1.786 60.477 62.300 -0.061 0.000 1.233 421 V CB -0.684 31.113 31.823 -0.043 0.000 1.021 421 V HN 0.049 nan 8.190 nan 0.000 0.497 422 P HA 0.265 nan 4.420 nan 0.000 0.265 422 P C -0.888 176.404 177.300 -0.014 0.000 1.193 422 P CA 0.276 63.369 63.100 -0.012 0.000 0.765 422 P CB 0.193 31.903 31.700 0.017 0.000 0.823 423 K N 3.186 123.579 120.400 -0.012 0.000 2.463 423 K HA 0.587 4.918 4.320 0.020 0.000 0.255 423 K C -0.684 175.964 176.600 0.080 0.000 0.942 423 K CA -0.379 55.919 56.287 0.017 0.000 0.814 423 K CB 1.354 33.800 32.500 -0.090 0.000 1.122 423 K HN 0.380 nan 8.250 nan 0.000 0.425 424 I N 1.876 122.509 120.570 0.105 0.000 2.499 424 I HA 0.304 4.486 4.170 0.020 0.000 0.288 424 I C -0.670 175.493 176.117 0.077 0.000 1.048 424 I CA -0.591 60.763 61.300 0.091 0.000 1.062 424 I CB 2.492 40.544 38.000 0.087 0.000 1.238 424 I HN 0.453 nan 8.210 nan 0.000 0.426 425 T N 5.273 119.855 114.554 0.046 0.000 2.848 425 T HA 0.548 4.910 4.350 0.020 0.000 0.285 425 T C -0.597 174.072 174.700 -0.052 0.000 0.995 425 T CA -0.507 61.584 62.100 -0.015 0.000 0.970 425 T CB 2.009 70.848 68.868 -0.049 0.000 0.976 425 T HN 0.178 nan 8.240 nan 0.000 0.441 426 V N 4.679 124.524 119.914 -0.115 0.000 2.407 426 V HA 0.453 4.585 4.120 0.020 0.000 0.291 426 V C -0.088 175.811 176.094 -0.324 0.000 1.018 426 V CA -0.857 61.319 62.300 -0.207 0.000 0.842 426 V CB 1.186 32.865 31.823 -0.240 0.000 0.996 426 V HN 0.821 nan 8.190 nan 0.000 0.426 427 I N 4.705 125.097 120.570 -0.296 0.000 2.322 427 I HA 0.162 4.344 4.170 0.020 0.000 0.292 427 I C 1.712 177.534 176.117 -0.492 0.000 1.060 427 I CA 0.048 61.164 61.300 -0.307 0.000 1.309 427 I CB 1.493 39.396 38.000 -0.162 0.000 1.415 427 I HN 0.831 nan 8.210 nan 0.000 0.492 428 T N 2.944 117.140 114.554 -0.597 0.000 2.937 428 T HA 0.066 4.428 4.350 0.020 0.000 0.260 428 T C 1.348 175.933 174.700 -0.192 0.000 1.051 428 T CA 0.602 62.282 62.100 -0.700 0.000 1.141 428 T CB 0.408 68.774 68.868 -0.837 0.000 0.879 428 T HN 0.650 nan 8.240 nan 0.000 0.459 429 R N 0.153 120.567 120.500 -0.144 0.000 2.899 429 R HA 0.405 4.757 4.340 0.020 0.000 0.095 429 R C -0.864 175.338 176.300 -0.164 0.000 0.792 429 R CA -0.631 55.425 56.100 -0.073 0.000 0.613 429 R CB 0.434 30.756 30.300 0.037 0.000 0.531 429 R HN 0.002 nan 8.270 nan 0.000 0.341 430 K N 0.550 120.817 120.400 -0.221 0.000 2.270 430 K HA 0.459 4.791 4.320 0.020 0.000 0.276 430 K C -1.165 175.184 176.600 -0.417 0.000 1.023 430 K CA 0.268 56.275 56.287 -0.468 0.000 0.955 430 K CB 1.595 33.759 32.500 -0.559 0.000 0.975 430 K HN 0.455 nan 8.250 nan 0.000 0.471 431 A N 3.954 126.464 122.820 -0.517 0.000 2.768 431 A HA 0.323 4.655 4.320 0.020 0.000 0.298 431 A C -1.626 175.898 177.584 -0.100 0.000 1.159 431 A CA -0.602 51.312 52.037 -0.205 0.000 0.783 431 A CB 0.151 19.165 19.000 0.024 0.000 1.333 431 A HN 0.707 nan 8.150 nan 0.000 0.412 432 Y N 1.159 121.467 120.300 0.012 0.000 2.377 432 Y HA 0.552 5.114 4.550 0.020 0.000 0.339 432 Y C 1.312 177.228 175.900 0.026 0.000 1.011 432 Y CA 0.029 58.132 58.100 0.004 0.000 1.093 432 Y CB 2.067 40.518 38.460 -0.015 0.000 1.201 432 Y HN 1.243 nan 8.280 nan 0.000 0.455 433 G N 1.514 110.444 108.800 0.218 0.000 2.578 433 G HA2 -0.319 3.652 3.960 0.020 0.000 0.275 433 G HA3 -0.319 3.652 3.960 0.020 0.000 0.275 433 G C 1.178 176.202 174.900 0.206 0.000 1.271 433 G CA -0.015 45.181 45.100 0.160 0.000 0.941 433 G HN 1.134 nan 8.290 nan 0.000 0.564 434 G N -0.380 108.561 108.800 0.235 0.000 2.485 434 G HA2 0.185 4.157 3.960 0.020 0.000 0.221 434 G HA3 0.185 4.157 3.960 0.020 0.000 0.221 434 G C 2.042 177.094 174.900 0.253 0.000 1.115 434 G CA 2.791 48.060 45.100 0.282 0.000 0.751 434 G HN 1.900 nan 8.290 nan 0.000 0.567 435 A N 0.022 122.883 122.820 0.070 0.000 1.968 435 A HA 0.041 4.373 4.320 0.020 0.000 0.217 435 A C 2.075 179.598 177.584 -0.103 0.000 1.169 435 A CA 1.507 53.403 52.037 -0.236 0.000 0.638 435 A CB -0.563 18.080 19.000 -0.594 0.000 0.812 435 A HN 0.527 nan 8.150 nan 0.000 0.446 436 Y N 0.516 120.758 120.300 -0.098 0.000 2.114 436 Y HA -0.347 4.215 4.550 0.020 0.000 0.282 436 Y C 2.443 178.283 175.900 -0.099 0.000 1.165 436 Y CA 1.764 59.806 58.100 -0.096 0.000 1.148 436 Y CB -0.965 37.468 38.460 -0.045 0.000 0.972 436 Y HN 0.363 nan 8.280 nan 0.000 0.504 437 C N -0.596 118.586 119.300 -0.196 0.000 2.413 437 C HA -0.194 4.277 4.460 0.020 0.000 0.276 437 C C 2.809 177.615 174.990 -0.307 0.000 1.236 437 C CA 1.238 60.088 59.018 -0.281 0.000 1.735 437 C CB -1.366 26.366 27.740 -0.015 0.000 2.031 437 C HN 0.545 nan 8.230 nan 0.000 0.474 438 V N 0.212 120.018 119.914 -0.180 0.000 2.379 438 V HA -0.095 4.037 4.120 0.020 0.000 0.245 438 V C 1.581 177.483 176.094 -0.320 0.000 1.044 438 V CA 1.238 63.447 62.300 -0.151 0.000 1.036 438 V CB -0.448 31.382 31.823 0.012 0.000 0.664 438 V HN 0.512 nan 8.190 nan 0.000 0.453 439 M N 1.058 120.448 119.600 -0.350 0.000 3.759 439 M HA 0.271 4.763 4.480 0.020 0.000 0.190 439 M C 1.252 177.233 176.300 -0.530 0.000 1.478 439 M CA 0.403 55.468 55.300 -0.391 0.000 1.691 439 M CB -1.211 31.221 32.600 -0.280 0.000 1.113 439 M HN 0.471 nan 8.290 nan 0.000 0.542 440 G N 1.786 110.086 108.800 -0.833 0.000 2.314 440 G HA2 -0.228 3.744 3.960 0.020 0.000 0.292 440 G HA3 -0.228 3.744 3.960 0.020 0.000 0.292 440 G C 0.343 174.974 174.900 -0.448 0.000 1.059 440 G CA 0.485 45.056 45.100 -0.882 0.000 0.982 440 G HN 0.744 nan 8.290 nan 0.000 0.505 441 S N -1.063 114.304 115.700 -0.555 0.000 2.568 441 S HA 0.377 4.859 4.470 0.020 0.000 0.282 441 S C 1.583 176.051 174.600 -0.220 0.000 1.338 441 S CA 0.552 58.404 58.200 -0.581 0.000 1.045 441 S CB 1.699 64.349 63.200 -0.917 0.000 0.873 441 S HN 0.738 nan 8.310 nan 0.000 0.516 442 K N 1.440 121.762 120.400 -0.130 0.000 2.034 442 K HA -0.220 4.112 4.320 0.020 0.000 0.214 442 K C 1.166 177.735 176.600 -0.053 0.000 1.051 442 K CA 2.391 58.657 56.287 -0.035 0.000 0.931 442 K CB -0.450 32.069 32.500 0.030 0.000 0.715 442 K HN 0.749 nan 8.250 nan 0.000 0.446 443 D N -0.451 119.868 120.400 -0.135 0.000 2.363 443 D HA -0.059 4.593 4.640 0.020 0.000 0.220 443 D C 1.069 177.339 176.300 -0.050 0.000 0.994 443 D CA 0.462 54.407 54.000 -0.090 0.000 0.890 443 D CB 0.172 40.889 40.800 -0.138 0.000 0.906 443 D HN 0.287 nan 8.370 nan 0.000 0.530 444 M N -0.386 119.190 119.600 -0.041 0.000 2.628 444 M HA 0.099 4.591 4.480 0.020 0.000 0.232 444 M C 1.103 177.460 176.300 0.094 0.000 1.128 444 M CA 0.288 55.613 55.300 0.041 0.000 1.040 444 M CB -0.218 32.421 32.600 0.064 0.000 1.608 444 M HN 0.089 nan 8.290 nan 0.000 0.507 445 G N 0.546 109.373 108.800 0.046 0.000 2.132 445 G HA2 -0.219 3.753 3.960 0.020 0.000 0.228 445 G HA3 -0.219 3.753 3.960 0.020 0.000 0.228 445 G C 0.192 175.102 174.900 0.017 0.000 1.000 445 G CA 0.067 45.169 45.100 0.004 0.000 0.693 445 G HN 0.526 nan 8.290 nan 0.000 0.515 446 C N 0.817 120.196 119.300 0.132 0.000 2.653 446 C HA 0.455 4.927 4.460 0.020 0.000 0.421 446 C C 1.814 176.843 174.990 0.064 0.000 1.334 446 C CA 0.310 59.414 59.018 0.143 0.000 1.885 446 C CB -0.010 27.842 27.740 0.187 0.000 2.645 446 C HN 0.515 nan 8.230 nan 0.000 0.601 447 D N 2.293 122.720 120.400 0.046 0.000 2.137 447 D HA 0.040 4.692 4.640 0.020 0.000 0.202 447 D C 0.198 176.535 176.300 0.060 0.000 0.970 447 D CA 1.424 55.447 54.000 0.039 0.000 0.837 447 D CB 0.181 40.996 40.800 0.024 0.000 0.981 447 D HN 0.412 nan 8.370 nan 0.000 0.475 448 V N 1.361 121.318 119.914 0.073 0.000 2.525 448 V HA 0.273 4.404 4.120 0.020 0.000 0.299 448 V C -0.953 175.189 176.094 0.080 0.000 1.034 448 V CA -0.816 61.535 62.300 0.086 0.000 0.863 448 V CB 1.818 33.701 31.823 0.101 0.000 0.999 448 V HN -0.072 nan 8.190 nan 0.000 0.423 449 N N 4.631 123.377 118.700 0.076 0.000 2.372 449 N HA 0.767 5.519 4.740 0.020 0.000 0.285 449 N C -1.339 174.194 175.510 0.038 0.000 1.008 449 N CA -0.537 52.547 53.050 0.057 0.000 0.880 449 N CB 1.778 40.311 38.487 0.076 0.000 1.239 449 N HN 0.352 nan 8.380 nan 0.000 0.484 450 L N 1.462 122.686 121.223 0.002 0.000 2.354 450 L HA 0.913 5.265 4.340 0.020 0.000 0.264 450 L C -0.521 176.319 176.870 -0.052 0.000 1.008 450 L CA -1.161 53.658 54.840 -0.035 0.000 0.819 450 L CB 1.599 43.629 42.059 -0.048 0.000 1.339 450 L HN 0.640 nan 8.230 nan 0.000 0.420 451 A N 0.501 123.299 122.820 -0.036 0.000 2.520 451 A HA 0.742 5.074 4.320 0.020 0.000 0.298 451 A C -1.804 175.855 177.584 0.125 0.000 1.051 451 A CA -0.555 51.458 52.037 -0.040 0.000 0.690 451 A CB 0.931 19.888 19.000 -0.071 0.000 1.281 451 A HN 0.471 nan 8.150 nan 0.000 0.402 452 W N 1.221 122.438 121.300 -0.139 0.000 2.183 452 W HA 0.478 5.150 4.660 0.020 0.000 0.348 452 W C -2.004 174.422 176.519 -0.155 0.000 1.257 452 W CA -1.863 55.398 57.345 -0.141 0.000 1.324 452 W CB -0.097 29.290 29.460 -0.123 0.000 1.144 452 W HN 0.487 nan 8.180 nan 0.000 0.622 453 P HA -0.124 nan 4.420 nan 0.000 0.225 453 P C 1.267 178.563 177.300 -0.007 0.000 1.148 453 P CA 2.010 65.102 63.100 -0.013 0.000 0.779 453 P CB 0.010 31.710 31.700 0.002 0.000 0.780 454 T N -3.770 110.819 114.554 0.057 0.000 3.148 454 T HA 0.288 4.650 4.350 0.020 0.000 0.253 454 T C 0.975 175.679 174.700 0.006 0.000 1.134 454 T CA -0.108 62.020 62.100 0.046 0.000 1.051 454 T CB -0.663 68.257 68.868 0.087 0.000 0.959 454 T HN 0.031 nan 8.240 nan 0.000 0.525 455 A N 1.482 124.287 122.820 -0.026 0.000 2.498 455 A HA 0.348 4.680 4.320 0.020 0.000 0.239 455 A C 0.229 177.757 177.584 -0.094 0.000 1.068 455 A CA -0.181 51.805 52.037 -0.085 0.000 0.766 455 A CB 0.055 18.991 19.000 -0.107 0.000 1.003 455 A HN 0.572 nan 8.150 nan 0.000 0.497 456 Q N 1.562 121.293 119.800 -0.115 0.000 2.616 456 Q HA 0.436 4.787 4.340 0.020 0.000 0.250 456 Q C -1.446 174.494 176.000 -0.099 0.000 0.991 456 Q CA 0.107 55.869 55.803 -0.068 0.000 0.707 456 Q CB 1.402 30.116 28.738 -0.040 0.000 1.247 456 Q HN 0.729 nan 8.270 nan 0.000 0.491 457 I N 1.734 122.280 120.570 -0.041 0.000 2.355 457 I HA 0.798 4.980 4.170 0.020 0.000 0.288 457 I C -0.240 175.877 176.117 0.001 0.000 0.999 457 I CA -0.561 60.695 61.300 -0.073 0.000 1.163 457 I CB 1.427 39.340 38.000 -0.145 0.000 1.316 457 I HN 0.486 nan 8.210 nan 0.000 0.454 458 A N 4.647 127.542 122.820 0.125 0.000 2.610 458 A HA 0.554 4.885 4.320 0.020 0.000 0.291 458 A C 0.380 178.028 177.584 0.107 0.000 1.086 458 A CA -0.510 51.602 52.037 0.125 0.000 0.677 458 A CB 1.086 20.209 19.000 0.204 0.000 1.278 458 A HN 0.333 nan 8.150 nan 0.000 0.414 459 V N 0.340 120.277 119.914 0.039 0.000 2.287 459 V HA -0.074 4.057 4.120 0.020 0.000 0.248 459 V C 0.990 177.064 176.094 -0.033 0.000 1.053 459 V CA 2.793 65.098 62.300 0.008 0.000 1.027 459 V CB -0.966 30.844 31.823 -0.021 0.000 0.646 459 V HN 0.906 nan 8.190 nan 0.000 0.447 460 M N -2.430 117.099 119.600 -0.119 0.000 2.644 460 M HA 0.697 5.189 4.480 0.020 0.000 0.273 460 M C -0.079 175.875 176.300 -0.576 0.000 1.253 460 M CA -0.473 54.625 55.300 -0.337 0.000 0.852 460 M CB 1.517 33.967 32.600 -0.251 0.000 1.708 460 M HN -0.001 nan 8.290 nan 0.000 0.471 461 G N 0.312 108.541 108.800 -0.952 0.000 2.559 461 G HA2 0.386 4.358 3.960 0.020 0.000 0.235 461 G HA3 0.386 4.358 3.960 0.020 0.000 0.235 461 G C 0.790 175.533 174.900 -0.261 0.000 1.266 461 G CA -0.035 44.636 45.100 -0.715 0.000 0.847 461 G HN 1.076 nan 8.290 nan 0.000 0.583 462 A N 1.069 123.850 122.820 -0.065 0.000 1.940 462 A HA -0.088 4.243 4.320 0.020 0.000 0.219 462 A C 2.680 180.194 177.584 -0.116 0.000 1.176 462 A CA 2.469 54.485 52.037 -0.035 0.000 0.631 462 A CB -0.633 18.483 19.000 0.193 0.000 0.814 462 A HN 1.053 nan 8.150 nan 0.000 0.446 463 S N -0.229 115.434 115.700 -0.060 0.000 2.355 463 S HA -0.017 4.465 4.470 0.020 0.000 0.222 463 S C 2.065 176.638 174.600 -0.046 0.000 1.031 463 S CA 1.120 59.296 58.200 -0.041 0.000 0.993 463 S CB -1.230 61.961 63.200 -0.015 0.000 0.859 463 S HN 0.678 nan 8.310 nan 0.000 0.453 464 G N 1.707 110.476 108.800 -0.051 0.000 2.418 464 G HA2 0.056 4.028 3.960 0.020 0.000 0.217 464 G HA3 0.056 4.028 3.960 0.020 0.000 0.217 464 G C 1.644 176.592 174.900 0.080 0.000 1.158 464 G CA 0.812 45.929 45.100 0.028 0.000 0.771 464 G HN 0.714 nan 8.290 nan 0.000 0.545 465 A N 0.588 123.324 122.820 -0.140 0.000 1.933 465 A HA 0.036 4.368 4.320 0.020 0.000 0.218 465 A C 2.689 180.162 177.584 -0.185 0.000 1.175 465 A CA 2.476 54.353 52.037 -0.267 0.000 0.628 465 A CB -0.753 17.765 19.000 -0.803 0.000 0.814 465 A HN 0.867 nan 8.150 nan 0.000 0.444 466 V N -1.816 117.998 119.914 -0.167 0.000 2.427 466 V HA -0.021 4.111 4.120 0.020 0.000 0.248 466 V C 2.392 178.530 176.094 0.074 0.000 1.051 466 V CA 1.770 64.084 62.300 0.023 0.000 1.048 466 V CB -1.889 30.023 31.823 0.149 0.000 0.666 466 V HN 0.398 nan 8.190 nan 0.000 0.456 467 G N -0.090 108.702 108.800 -0.013 0.000 2.469 467 G HA2 -0.222 3.749 3.960 0.020 0.000 0.220 467 G HA3 -0.222 3.749 3.960 0.020 0.000 0.220 467 G C 1.310 176.067 174.900 -0.238 0.000 1.136 467 G CA 1.444 46.454 45.100 -0.150 0.000 0.759 467 G HN 0.567 nan 8.290 nan 0.000 0.562 468 F N -0.092 119.799 119.950 -0.099 0.000 2.147 468 F HA 0.124 4.663 4.527 0.020 0.000 0.291 468 F C 2.762 178.469 175.800 -0.154 0.000 1.093 468 F CA 0.349 58.285 58.000 -0.107 0.000 1.263 468 F CB -0.741 38.191 39.000 -0.114 0.000 1.036 468 F HN -0.058 nan 8.300 nan 0.000 0.481 469 V N -0.998 118.887 119.914 -0.049 0.000 2.407 469 V HA -0.229 3.902 4.120 0.020 0.000 0.248 469 V C 0.305 176.085 176.094 -0.524 0.000 1.055 469 V CA 1.458 63.545 62.300 -0.355 0.000 1.049 469 V CB -0.714 30.776 31.823 -0.555 0.000 0.662 469 V HN 0.189 nan 8.190 nan 0.000 0.455 490 R N 0.429 120.909 120.500 -0.034 0.000 2.075 490 R HA -0.033 4.318 4.340 0.020 0.000 0.226 490 R C 1.896 178.166 176.300 -0.049 0.000 1.114 490 R CA 1.166 57.244 56.100 -0.038 0.000 0.972 490 R CB 0.176 30.444 30.300 -0.054 0.000 0.869 490 R HN 0.149 nan 8.270 nan 0.000 0.437 491 L N 1.536 122.697 121.223 -0.104 0.000 2.109 491 L HA -0.107 4.245 4.340 0.020 0.000 0.207 491 L C 2.551 179.446 176.870 0.040 0.000 1.086 491 L CA 1.697 56.432 54.840 -0.175 0.000 0.760 491 L CB -1.048 40.742 42.059 -0.448 0.000 0.910 491 L HN 0.335 nan 8.230 nan 0.000 0.437 492 Q N -0.404 119.426 119.800 0.050 0.000 2.020 492 Q HA -0.295 4.057 4.340 0.020 0.000 0.202 492 Q C 2.186 178.267 176.000 0.135 0.000 0.982 492 Q CA 2.115 57.977 55.803 0.100 0.000 0.838 492 Q CB -0.187 28.580 28.738 0.047 0.000 0.899 492 Q HN 0.596 nan 8.270 nan 0.000 0.423 493 Q N 0.224 120.073 119.800 0.083 0.000 2.135 493 Q HA -0.229 4.123 4.340 0.020 0.000 0.204 493 Q C 1.699 177.756 176.000 0.094 0.000 0.981 493 Q CA 1.971 57.821 55.803 0.078 0.000 0.856 493 Q CB -0.008 28.756 28.738 0.045 0.000 0.902 493 Q HN 0.532 nan 8.270 nan 0.000 0.425 494 E N -0.545 119.710 120.200 0.092 0.000 2.017 494 E HA -0.233 4.129 4.350 0.020 0.000 0.193 494 E C 1.797 178.491 176.600 0.157 0.000 0.997 494 E CA 1.368 57.827 56.400 0.098 0.000 0.804 494 E CB -0.356 29.382 29.700 0.064 0.000 0.757 494 E HN 0.491 nan 8.360 nan 0.000 0.448 495 Y N 2.171 122.534 120.300 0.105 0.000 2.165 495 Y HA -0.272 4.289 4.550 0.020 0.000 0.286 495 Y C 2.225 178.172 175.900 0.079 0.000 1.155 495 Y CA 2.260 60.433 58.100 0.122 0.000 1.164 495 Y CB -0.045 38.515 38.460 0.167 0.000 0.978 495 Y HN 0.106 nan 8.280 nan 0.000 0.513 496 E N -1.303 119.043 120.200 0.242 0.000 2.299 496 E HA -0.123 4.239 4.350 0.020 0.000 0.193 496 E C 1.018 177.658 176.600 0.066 0.000 0.998 496 E CA 1.122 57.607 56.400 0.142 0.000 0.851 496 E CB -0.258 29.560 29.700 0.197 0.000 0.795 496 E HN 0.395 nan 8.360 nan 0.000 0.492 497 D N 1.083 121.522 120.400 0.066 0.000 2.363 497 D HA -0.067 4.584 4.640 0.020 0.000 0.220 497 D C 1.594 177.907 176.300 0.021 0.000 0.994 497 D CA 1.533 55.561 54.000 0.046 0.000 0.890 497 D CB 0.331 41.158 40.800 0.046 0.000 0.906 497 D HN 0.456 nan 8.370 nan 0.000 0.530 498 T N -2.891 111.655 114.554 -0.014 0.000 3.018 498 T HA 0.113 4.475 4.350 0.020 0.000 0.246 498 T C 1.271 175.915 174.700 -0.094 0.000 1.026 498 T CA 0.013 62.087 62.100 -0.043 0.000 1.081 498 T CB 0.411 69.254 68.868 -0.042 0.000 0.970 498 T HN -0.054 nan 8.240 nan 0.000 0.475 499 L N 0.307 121.424 121.223 -0.177 0.000 3.316 499 L HA 0.473 4.825 4.340 0.020 0.000 0.300 499 L C 0.047 176.809 176.870 -0.180 0.000 1.128 499 L CA 0.205 54.888 54.840 -0.262 0.000 1.111 499 L CB 0.976 42.688 42.059 -0.578 0.000 1.687 499 L HN 0.107 nan 8.230 nan 0.000 0.594 500 V N 3.674 123.529 119.914 -0.099 0.000 2.221 500 V HA 0.374 4.506 4.120 0.020 0.000 0.258 500 V C 0.013 176.121 176.094 0.024 0.000 1.179 500 V CA -0.192 62.124 62.300 0.026 0.000 1.022 500 V CB -0.705 31.207 31.823 0.148 0.000 1.228 500 V HN 0.565 nan 8.190 nan 0.000 0.487 501 N N 3.444 122.132 118.700 -0.020 0.000 3.179 501 N HA 0.425 5.177 4.740 0.020 0.000 0.250 501 N C -2.880 172.529 175.510 -0.169 0.000 1.507 501 N CA -1.409 51.599 53.050 -0.070 0.000 0.883 501 N CB 2.134 40.629 38.487 0.013 0.000 1.435 501 N HN -0.026 nan 8.380 nan 0.000 0.532 502 P HA 0.119 nan 4.420 nan 0.000 0.240 502 P C 0.474 177.563 177.300 -0.352 0.000 1.190 502 P CA 0.724 63.587 63.100 -0.395 0.000 0.781 502 P CB -0.132 31.247 31.700 -0.535 0.000 0.931 503 Y N -0.833 119.451 120.300 -0.027 0.000 2.457 503 Y HA -0.062 4.500 4.550 0.020 0.000 0.292 503 Y C 2.312 178.179 175.900 -0.054 0.000 1.125 503 Y CA 0.456 58.535 58.100 -0.034 0.000 1.254 503 Y CB -1.370 37.071 38.460 -0.032 0.000 1.012 503 Y HN -0.232 nan 8.280 nan 0.000 0.555 504 V N -0.399 119.539 119.914 0.040 0.000 2.323 504 V HA -0.225 3.907 4.120 0.020 0.000 0.244 504 V C 2.527 178.568 176.094 -0.088 0.000 1.041 504 V CA 1.559 63.841 62.300 -0.030 0.000 1.025 504 V CB -1.311 30.475 31.823 -0.062 0.000 0.656 504 V HN 0.387 nan 8.190 nan 0.000 0.451 505 A N 0.275 123.046 122.820 -0.082 0.000 1.933 505 A HA -0.120 4.212 4.320 0.020 0.000 0.218 505 A C 2.420 179.973 177.584 -0.052 0.000 1.175 505 A CA 2.075 54.070 52.037 -0.071 0.000 0.628 505 A CB -0.759 18.248 19.000 0.011 0.000 0.814 505 A HN 0.568 nan 8.150 nan 0.000 0.444 506 A N -0.079 122.733 122.820 -0.014 0.000 1.902 506 A HA -0.195 4.137 4.320 0.020 0.000 0.217 506 A C 1.876 179.462 177.584 0.003 0.000 1.181 506 A CA 1.720 53.773 52.037 0.027 0.000 0.623 506 A CB -0.532 18.524 19.000 0.093 0.000 0.818 506 A HN 0.637 nan 8.150 nan 0.000 0.443 507 E N -0.652 119.534 120.200 -0.022 0.000 2.268 507 E HA -0.109 4.252 4.350 0.020 0.000 0.195 507 E C 1.953 178.489 176.600 -0.106 0.000 0.995 507 E CA 0.687 57.060 56.400 -0.045 0.000 0.836 507 E CB -0.059 29.616 29.700 -0.042 0.000 0.763 507 E HN 0.506 nan 8.360 nan 0.000 0.491 508 R N -0.651 119.717 120.500 -0.220 0.000 2.300 508 R HA 0.094 4.446 4.340 0.020 0.000 0.199 508 R C 1.170 177.337 176.300 -0.222 0.000 0.920 508 R CA 0.659 56.541 56.100 -0.363 0.000 1.046 508 R CB 0.642 30.388 30.300 -0.922 0.000 0.984 508 R HN 0.238 nan 8.270 nan 0.000 0.493 509 G N 0.744 109.498 108.800 -0.078 0.000 2.159 509 G HA2 -0.321 3.650 3.960 0.020 0.000 0.256 509 G HA3 -0.321 3.650 3.960 0.020 0.000 0.256 509 G C 0.627 175.654 174.900 0.212 0.000 0.977 509 G CA 0.224 45.361 45.100 0.062 0.000 0.652 509 G HN 0.490 nan 8.290 nan 0.000 0.531 510 Y N -0.426 119.909 120.300 0.059 0.000 2.373 510 Y HA 0.147 4.709 4.550 0.020 0.000 0.293 510 Y C 1.893 177.846 175.900 0.088 0.000 1.129 510 Y CA 0.946 59.102 58.100 0.094 0.000 1.226 510 Y CB 0.342 38.872 38.460 0.117 0.000 1.000 510 Y HN 0.512 nan 8.280 nan 0.000 0.549 511 V N -1.357 118.681 119.914 0.207 0.000 2.448 511 V HA 0.633 4.765 4.120 0.020 0.000 0.295 511 V C 0.640 176.790 176.094 0.092 0.000 1.025 511 V CA -0.265 62.106 62.300 0.119 0.000 0.859 511 V CB 1.396 33.257 31.823 0.064 0.000 0.988 511 V HN 0.179 nan 8.190 nan 0.000 0.431 512 G N 3.657 112.509 108.800 0.087 0.000 2.551 512 G HA2 0.529 4.501 3.960 0.020 0.000 0.216 512 G HA3 0.529 4.501 3.960 0.020 0.000 0.216 512 G C 0.512 175.460 174.900 0.080 0.000 1.137 512 G CA 0.529 45.682 45.100 0.088 0.000 0.798 512 G HN 1.699 nan 8.290 nan 0.000 0.536 513 A N -0.463 122.382 122.820 0.043 0.000 2.513 513 A HA 0.569 4.901 4.320 0.020 0.000 0.296 513 A C -1.163 176.394 177.584 -0.045 0.000 1.052 513 A CA -0.449 51.593 52.037 0.008 0.000 0.714 513 A CB 1.524 20.514 19.000 -0.017 0.000 1.279 513 A HN 0.295 nan 8.150 nan 0.000 0.397 514 V N 3.529 123.435 119.914 -0.013 0.000 2.432 514 V HA 0.518 4.650 4.120 0.020 0.000 0.271 514 V C 0.212 176.270 176.094 -0.060 0.000 1.046 514 V CA 0.078 62.359 62.300 -0.033 0.000 0.945 514 V CB 0.371 32.184 31.823 -0.017 0.000 0.992 514 V HN 0.808 nan 8.190 nan 0.000 0.471 515 I N 2.897 123.410 120.570 -0.096 0.000 2.785 515 I HA 0.716 4.898 4.170 0.020 0.000 0.302 515 I C -2.891 173.073 176.117 -0.256 0.000 1.069 515 I CA -3.037 58.142 61.300 -0.201 0.000 1.045 515 I CB 2.392 40.169 38.000 -0.372 0.000 1.236 515 I HN 0.309 nan 8.210 nan 0.000 0.429 516 P HA 0.176 nan 4.420 nan 0.000 0.264 516 P C -2.170 174.799 177.300 -0.552 0.000 1.193 516 P CA -0.830 61.968 63.100 -0.504 0.000 0.763 516 P CB 0.156 31.423 31.700 -0.722 0.000 0.810 517 P HA -0.265 nan 4.420 nan 0.000 0.218 517 P C 1.428 178.375 177.300 -0.588 0.000 1.152 517 P CA 1.938 64.147 63.100 -1.486 0.000 0.857 517 P CB -0.294 30.330 31.700 -1.792 0.000 0.787 518 S N -2.271 113.241 115.700 -0.313 0.000 2.474 518 S HA -0.181 4.300 4.470 0.020 0.000 0.235 518 S C 1.681 176.377 174.600 0.160 0.000 0.997 518 S CA 0.882 59.054 58.200 -0.046 0.000 0.949 518 S CB -1.554 61.647 63.200 0.002 0.000 0.766 518 S HN 0.389 nan 8.310 nan 0.000 0.517 519 H N 0.699 119.757 119.070 -0.019 0.000 2.551 519 H HA 0.070 4.638 4.556 0.020 0.000 0.266 519 H C 1.779 177.255 175.328 0.247 0.000 0.977 519 H CA 0.764 56.900 56.048 0.147 0.000 1.163 519 H CB 0.035 29.950 29.762 0.255 0.000 1.381 519 H HN 0.446 nan 8.280 nan 0.000 0.581 520 T N 0.970 115.697 114.554 0.288 0.000 2.607 520 T HA -0.233 4.129 4.350 0.020 0.000 0.267 520 T C 2.027 176.888 174.700 0.268 0.000 1.049 520 T CA 1.343 63.631 62.100 0.314 0.000 1.162 520 T CB -0.153 68.966 68.868 0.417 0.000 0.863 520 T HN 0.400 nan 8.240 nan 0.000 0.424 521 R N 0.714 121.334 120.500 0.200 0.000 2.113 521 R HA -0.148 4.204 4.340 0.020 0.000 0.244 521 R C 2.678 179.061 176.300 0.138 0.000 1.142 521 R CA 1.983 58.172 56.100 0.148 0.000 0.953 521 R CB -0.907 29.458 30.300 0.108 0.000 0.860 521 R HN 0.474 nan 8.270 nan 0.000 0.438 522 G N -0.571 108.308 108.800 0.131 0.000 2.421 522 G HA2 -0.286 3.686 3.960 0.020 0.000 0.216 522 G HA3 -0.286 3.686 3.960 0.020 0.000 0.216 522 G C 1.134 176.082 174.900 0.080 0.000 1.171 522 G CA 0.861 46.003 45.100 0.070 0.000 0.775 522 G HN 0.380 nan 8.290 nan 0.000 0.543 523 Y N 0.716 121.063 120.300 0.078 0.000 2.165 523 Y HA -0.067 4.495 4.550 0.020 0.000 0.286 523 Y C 2.802 178.748 175.900 0.076 0.000 1.155 523 Y CA 1.204 59.355 58.100 0.086 0.000 1.164 523 Y CB -0.164 38.367 38.460 0.119 0.000 0.978 523 Y HN 0.129 nan 8.280 nan 0.000 0.513 524 I N -0.945 119.770 120.570 0.241 0.000 2.142 524 I HA -0.302 3.880 4.170 0.020 0.000 0.240 524 I C 2.705 178.888 176.117 0.110 0.000 1.078 524 I CA 1.469 62.865 61.300 0.160 0.000 1.343 524 I CB -1.080 37.004 38.000 0.140 0.000 1.046 524 I HN 0.292 nan 8.210 nan 0.000 0.405 525 G N 0.474 109.329 108.800 0.091 0.000 2.513 525 G HA2 -0.286 3.686 3.960 0.020 0.000 0.219 525 G HA3 -0.286 3.686 3.960 0.020 0.000 0.219 525 G C 1.630 176.555 174.900 0.041 0.000 1.160 525 G CA 1.716 46.852 45.100 0.060 0.000 0.767 525 G HN 0.330 nan 8.290 nan 0.000 0.571 526 T N 1.383 115.951 114.554 0.023 0.000 2.788 526 T HA 0.091 4.452 4.350 0.020 0.000 0.268 526 T C 2.748 177.464 174.700 0.026 0.000 1.044 526 T CA 1.482 63.581 62.100 -0.002 0.000 1.139 526 T CB -0.257 68.573 68.868 -0.063 0.000 0.867 526 T HN 0.407 nan 8.240 nan 0.000 0.454 527 A N 1.212 124.067 122.820 0.059 0.000 1.874 527 A HA 0.152 4.484 4.320 0.020 0.000 0.214 527 A C 2.286 179.904 177.584 0.058 0.000 1.189 527 A CA 0.786 52.866 52.037 0.071 0.000 0.615 527 A CB -0.777 18.288 19.000 0.108 0.000 0.830 527 A HN 0.434 nan 8.150 nan 0.000 0.443 528 L N -0.926 120.334 121.223 0.061 0.000 2.043 528 L HA -0.246 4.106 4.340 0.020 0.000 0.212 528 L C 2.831 179.725 176.870 0.040 0.000 1.075 528 L CA 1.960 56.832 54.840 0.052 0.000 0.752 528 L CB -0.470 41.624 42.059 0.059 0.000 0.891 528 L HN 0.436 nan 8.230 nan 0.000 0.432 529 R N 0.117 120.638 120.500 0.034 0.000 2.070 529 R HA -0.169 4.183 4.340 0.020 0.000 0.233 529 R C 2.418 178.731 176.300 0.022 0.000 1.137 529 R CA 1.316 57.432 56.100 0.025 0.000 0.945 529 R CB -0.302 30.010 30.300 0.019 0.000 0.845 529 R HN 0.285 nan 8.270 nan 0.000 0.430 530 L N 0.546 121.783 121.223 0.023 0.000 2.043 530 L HA -0.195 4.157 4.340 0.020 0.000 0.212 530 L C 1.291 178.175 176.870 0.022 0.000 1.075 530 L CA 1.454 56.307 54.840 0.022 0.000 0.752 530 L CB -0.127 41.948 42.059 0.027 0.000 0.891 530 L HN 0.299 nan 8.230 nan 0.000 0.432 531 L N 0.107 121.346 121.223 0.026 0.000 2.611 531 L HA -0.006 4.346 4.340 0.020 0.000 0.229 531 L C 2.249 179.130 176.870 0.018 0.000 1.137 531 L CA 0.717 55.570 54.840 0.022 0.000 0.901 531 L CB -0.633 41.441 42.059 0.026 0.000 1.098 531 L HN 0.408 nan 8.230 nan 0.000 0.456 532 E N 0.839 121.050 120.200 0.020 0.000 2.265 532 E HA -0.168 4.194 4.350 0.020 0.000 0.196 532 E C 0.370 176.978 176.600 0.014 0.000 0.996 532 E CA 0.712 57.123 56.400 0.019 0.000 0.832 532 E CB 0.017 29.730 29.700 0.021 0.000 0.756 532 E HN 0.428 nan 8.360 nan 0.000 0.491 533 R N 1.617 122.123 120.500 0.010 0.000 2.835 533 R HA 0.357 4.708 4.340 0.020 0.000 0.290 533 R C -0.482 175.820 176.300 0.003 0.000 1.410 533 R CA -0.487 55.617 56.100 0.007 0.000 1.590 533 R CB 0.446 30.750 30.300 0.007 0.000 1.288 533 R HN -0.091 nan 8.270 nan 0.000 0.637 542 K N 0.145 120.471 120.400 -0.124 0.000 2.152 542 K HA -0.148 4.183 4.320 0.020 0.000 0.206 542 K C -0.119 176.494 176.600 0.021 0.000 1.048 542 K CA 2.228 58.466 56.287 -0.080 0.000 0.933 542 K CB -0.486 31.931 32.500 -0.138 0.000 0.721 542 K HN 0.834 nan 8.250 nan 0.000 0.447 543 H N -5.134 113.945 119.070 0.015 0.000 2.893 543 H HA 0.303 4.871 4.556 0.020 0.000 0.251 543 H C -0.379 174.978 175.328 0.048 0.000 1.388 543 H CA -0.643 55.421 56.048 0.027 0.000 1.321 543 H CB 0.021 29.791 29.762 0.013 0.000 1.828 543 H HN 0.021 nan 8.280 nan 0.000 0.455 544 G N -0.787 108.163 108.800 0.251 0.000 2.525 544 G HA2 0.282 4.253 3.960 0.020 0.000 0.287 544 G HA3 0.282 4.253 3.960 0.020 0.000 0.287 544 G C -0.538 174.495 174.900 0.222 0.000 1.350 544 G CA -0.552 44.694 45.100 0.243 0.000 1.039 544 G HN 0.904 nan 8.290 nan 0.000 0.513 545 N N -0.634 118.137 118.700 0.119 0.000 2.642 545 N HA 0.159 4.911 4.740 0.020 0.000 0.308 545 N C -0.198 175.213 175.510 -0.165 0.000 1.914 545 N CA -0.451 52.607 53.050 0.013 0.000 0.893 545 N CB 1.035 39.550 38.487 0.046 0.000 1.322 545 N HN 0.277 nan 8.380 nan 0.000 0.490 546 V N 2.718 122.320 119.914 -0.520 0.000 2.752 546 V HA 0.028 4.160 4.120 0.020 0.000 0.306 546 V C -1.822 174.086 176.094 -0.309 0.000 1.099 546 V CA -0.680 61.155 62.300 -0.774 0.000 1.240 546 V CB 0.406 31.582 31.823 -1.078 0.000 0.887 546 V HN 0.385 nan 8.190 nan 0.000 0.499 547 P HA 0.102 nan 4.420 nan 0.000 0.264 547 P C -0.671 176.568 177.300 -0.102 0.000 1.183 547 P CA -0.080 62.959 63.100 -0.101 0.000 0.763 547 P CB 0.609 32.277 31.700 -0.052 0.000 0.807 548 L N 0.000 121.178 121.223 -0.076 0.000 2.949 548 L HA 0.000 4.352 4.340 0.020 0.000 0.249 548 L CA 0.000 54.802 54.840 -0.063 0.000 0.813 548 L CB 0.000 42.018 42.059 -0.069 0.000 0.961 548 L HN 0.000 nan 8.230 nan 0.000 0.502