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 2a7s_1_F DATA FIRST_RESID 20 DATA SEQUENCE IDIHTTAGKL AELHKRREES LHPVGEDAVE KVHAKGKLTA RERIYALLDE DATA SEQUENCE DSFVELDALA KHRSTNFNLG EKRPLGDGVV TGYGTIDGRD VCIFSQDATV DATA SEQUENCE FGGSLGEVYG EKIVKVQELA IKTGRPLIGI NDGAGARIQE GVVSLGLYSR DATA SEQUENCE IFRNNILASG VIPQISLIMG AAAGGHVYSP ALTDFVIMVD QTSQMFITGP DATA SEQUENCE DVIKTVTGEE VTMEELGGAH THMAKSGTAH YAASGEQDAF DYVRELLSYL DATA SEQUENCE PPNNSTDAPR YQAAAPTGPI EENLTDEDLE LDTLIPDSPN QPYDMHEVIT DATA SEQUENCE RLLDDEFLEI QAGYAQNIVV GFGRIDGRPV GIVANQPTHF AGCLDINASE DATA SEQUENCE KAARFVRTCD CFNIPIVMLV DVPGFLPGTD QEYNGIIRRG AKLLYAYGEA DATA SEQUENCE TVPKITVITR KAYGGAYCVM GSKDMGCDVN LAWPTAQIAV MGASGAVGFV DATA SEQUENCE YRQQLAEAAA NGEDIDKLRL RLQQEYEDTL VNPYVAAERG YVDAVIPPSH DATA SEQUENCE TRGYIGTALR LLERKIAQLP PKKHGNVPL 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 20 I HA 0.000 nan 4.170 nan 0.000 0.288 20 I C 0.000 176.139 176.117 0.037 0.000 1.063 20 I CA 0.000 61.314 61.300 0.023 0.000 1.566 20 I CB 0.000 38.012 38.000 0.020 0.000 1.214 21 D N 3.161 123.586 120.400 0.041 0.000 2.472 21 D HA 0.077 4.717 4.640 -0.000 0.000 0.248 21 D C 1.492 177.852 176.300 0.100 0.000 1.174 21 D CA 0.192 54.232 54.000 0.067 0.000 0.883 21 D CB 1.046 41.879 40.800 0.055 0.000 1.149 21 D HN 0.252 nan 8.370 nan 0.000 0.488 22 I N 4.067 124.717 120.570 0.134 0.000 2.657 22 I HA -0.218 3.952 4.170 -0.000 0.000 0.261 22 I C 1.671 177.824 176.117 0.061 0.000 1.212 22 I CA 1.062 62.418 61.300 0.094 0.000 1.453 22 I CB -0.934 37.112 38.000 0.077 0.000 1.092 22 I HN 0.550 nan 8.210 nan 0.000 0.452 23 H N 0.164 119.237 119.070 0.005 0.000 2.553 23 H HA 0.096 4.652 4.556 -0.000 0.000 0.265 23 H C 0.872 176.203 175.328 0.004 0.000 0.964 23 H CA 0.314 56.365 56.048 0.004 0.000 1.156 23 H CB 0.561 30.325 29.762 0.003 0.000 1.411 23 H HN 0.333 nan 8.280 nan 0.000 0.558 24 T N -2.239 112.382 114.554 0.111 0.000 2.925 24 T HA 0.144 4.494 4.350 -0.000 0.000 0.285 24 T C 1.361 176.084 174.700 0.039 0.000 1.021 24 T CA -0.626 61.512 62.100 0.063 0.000 1.042 24 T CB 2.203 71.101 68.868 0.051 0.000 1.037 24 T HN -0.126 nan 8.240 nan 0.000 0.481 25 T N 1.886 116.457 114.554 0.028 0.000 2.684 25 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 25 T C 2.368 177.083 174.700 0.024 0.000 1.036 25 T CA 1.775 63.888 62.100 0.022 0.000 1.148 25 T CB -0.839 68.040 68.868 0.018 0.000 0.863 25 T HN 0.852 nan 8.240 nan 0.000 0.436 26 A N 1.164 123.997 122.820 0.022 0.000 1.940 26 A HA 0.078 4.398 4.320 -0.000 0.000 0.219 26 A C 2.594 180.192 177.584 0.024 0.000 1.176 26 A CA 1.917 53.965 52.037 0.018 0.000 0.631 26 A CB -1.250 17.757 19.000 0.011 0.000 0.814 26 A HN 0.531 nan 8.150 nan 0.000 0.446 27 G N -0.421 108.397 108.800 0.030 0.000 2.403 27 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.216 27 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.216 27 G C 1.647 176.569 174.900 0.037 0.000 1.154 27 G CA 0.913 46.034 45.100 0.035 0.000 0.784 27 G HN 0.580 nan 8.290 nan 0.000 0.538 28 K N -0.375 120.044 120.400 0.031 0.000 2.097 28 K HA 0.022 4.342 4.320 -0.000 0.000 0.205 28 K C 2.303 178.930 176.600 0.045 0.000 1.050 28 K CA 0.778 57.079 56.287 0.024 0.000 0.938 28 K CB -0.238 32.268 32.500 0.009 0.000 0.718 28 K HN 0.265 nan 8.250 nan 0.000 0.442 29 L N 1.205 122.465 121.223 0.061 0.000 2.056 29 L HA -0.072 4.268 4.340 -0.000 0.000 0.207 29 L C 2.185 179.173 176.870 0.197 0.000 1.078 29 L CA 1.726 56.635 54.840 0.115 0.000 0.749 29 L CB -0.702 41.414 42.059 0.094 0.000 0.901 29 L HN 0.105 nan 8.230 nan 0.000 0.433 30 A N -0.830 122.052 122.820 0.104 0.000 1.969 30 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 30 A C 2.215 179.865 177.584 0.111 0.000 1.169 30 A CA 1.487 53.575 52.037 0.086 0.000 0.635 30 A CB -0.629 18.387 19.000 0.026 0.000 0.810 30 A HN 0.549 nan 8.150 nan 0.000 0.445 31 E N 0.027 120.275 120.200 0.079 0.000 2.077 31 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 31 E C 1.762 178.394 176.600 0.052 0.000 0.989 31 E CA 1.404 57.836 56.400 0.054 0.000 0.800 31 E CB -0.463 29.255 29.700 0.030 0.000 0.746 31 E HN 0.425 nan 8.360 nan 0.000 0.452 32 L N 0.396 121.650 121.223 0.053 0.000 1.970 32 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 32 L C 1.989 178.843 176.870 -0.027 0.000 1.071 32 L CA 2.341 57.172 54.840 -0.014 0.000 0.751 32 L CB -0.955 41.064 42.059 -0.066 0.000 0.889 32 L HN 0.261 nan 8.230 nan 0.000 0.432 33 H N -0.646 118.422 119.070 -0.003 0.000 2.518 33 H HA -0.150 4.406 4.556 -0.000 0.000 0.292 33 H C 2.105 177.434 175.328 0.003 0.000 1.068 33 H CA 1.625 57.672 56.048 -0.001 0.000 1.275 33 H CB -0.154 29.610 29.762 0.002 0.000 1.375 33 H HN 0.413 nan 8.280 nan 0.000 0.563 34 K N 0.996 121.462 120.400 0.109 0.000 2.076 34 K HA -0.051 4.269 4.320 -0.000 0.000 0.204 34 K C 1.802 178.421 176.600 0.032 0.000 1.051 34 K CA 0.726 57.055 56.287 0.069 0.000 0.949 34 K CB 0.228 32.762 32.500 0.057 0.000 0.726 34 K HN 0.262 nan 8.250 nan 0.000 0.443 35 R N 0.149 120.654 120.500 0.009 0.000 2.075 35 R HA -0.006 4.334 4.340 -0.000 0.000 0.226 35 R C 2.535 178.809 176.300 -0.043 0.000 1.114 35 R CA 0.701 56.791 56.100 -0.018 0.000 0.972 35 R CB -0.317 29.969 30.300 -0.023 0.000 0.869 35 R HN 0.143 nan 8.270 nan 0.000 0.437 36 R N 1.094 121.566 120.500 -0.047 0.000 2.103 36 R HA -0.217 4.123 4.340 -0.000 0.000 0.242 36 R C 2.186 178.453 176.300 -0.056 0.000 1.142 36 R CA 1.949 58.012 56.100 -0.061 0.000 0.960 36 R CB -0.082 30.162 30.300 -0.093 0.000 0.858 36 R HN 0.105 nan 8.270 nan 0.000 0.439 37 E N 0.598 120.782 120.200 -0.028 0.000 2.072 37 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 37 E C 1.679 178.150 176.600 -0.215 0.000 0.985 37 E CA 1.637 58.019 56.400 -0.030 0.000 0.801 37 E CB -0.078 29.658 29.700 0.061 0.000 0.750 37 E HN 0.352 nan 8.360 nan 0.000 0.452 38 E N -0.185 119.901 120.200 -0.189 0.000 2.150 38 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 38 E C 1.741 178.090 176.600 -0.418 0.000 0.985 38 E CA 1.177 57.380 56.400 -0.329 0.000 0.814 38 E CB -0.155 29.503 29.700 -0.069 0.000 0.752 38 E HN 0.374 nan 8.360 nan 0.000 0.466 39 S N 0.230 115.792 115.700 -0.231 0.000 2.500 39 S HA -0.093 4.377 4.470 -0.000 0.000 0.239 39 S C 1.866 176.368 174.600 -0.163 0.000 0.989 39 S CA 0.574 58.685 58.200 -0.148 0.000 0.951 39 S CB -0.379 62.775 63.200 -0.076 0.000 0.759 39 S HN 0.313 nan 8.310 nan 0.000 0.523 40 L N 0.622 121.678 121.223 -0.278 0.000 2.418 40 L HA 0.149 4.489 4.340 -0.000 0.000 0.218 40 L C 0.504 177.312 176.870 -0.103 0.000 1.125 40 L CA 0.571 55.321 54.840 -0.150 0.000 0.835 40 L CB -0.580 41.439 42.059 -0.067 0.000 0.953 40 L HN 0.626 nan 8.230 nan 0.000 0.454 41 H N -3.758 115.317 119.070 0.009 0.000 2.600 41 H HA 0.214 4.770 4.556 -0.000 0.000 0.224 41 H C -2.335 172.987 175.328 -0.011 0.000 1.413 41 H CA -1.920 54.123 56.048 -0.008 0.000 1.401 41 H CB -0.550 29.206 29.762 -0.009 0.000 1.772 41 H HN -0.171 nan 8.280 nan 0.000 0.528 42 P HA -0.170 nan 4.420 nan 0.000 0.224 42 P C 0.533 177.845 177.300 0.020 0.000 1.142 42 P CA 1.317 64.418 63.100 0.003 0.000 0.778 42 P CB 0.291 31.987 31.700 -0.007 0.000 0.764 43 V N -4.908 115.028 119.914 0.036 0.000 2.771 43 V HA 0.704 4.824 4.120 -0.000 0.000 0.355 43 V C 0.315 176.421 176.094 0.021 0.000 1.289 43 V CA -0.408 61.893 62.300 0.003 0.000 1.231 43 V CB -0.073 31.720 31.823 -0.051 0.000 1.396 43 V HN 0.301 nan 8.190 nan 0.000 0.628 44 G N 1.106 109.948 108.800 0.070 0.000 2.731 44 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.686 44 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.686 44 G C 0.060 174.932 174.900 -0.046 0.000 1.395 44 G CA 0.285 45.386 45.100 0.002 0.000 0.870 44 G HN 0.491 nan 8.290 nan 0.000 0.591 45 E N 0.251 120.357 120.200 -0.156 0.000 2.077 45 E HA -0.060 4.290 4.350 -0.000 0.000 0.193 45 E C 2.222 178.777 176.600 -0.076 0.000 0.989 45 E CA 1.652 57.965 56.400 -0.145 0.000 0.800 45 E CB -0.054 29.541 29.700 -0.175 0.000 0.746 45 E HN 0.603 nan 8.360 nan 0.000 0.452 46 D N 0.208 120.572 120.400 -0.060 0.000 2.149 46 D HA -0.270 4.370 4.640 -0.000 0.000 0.194 46 D C 1.844 178.119 176.300 -0.041 0.000 1.001 46 D CA 1.636 55.612 54.000 -0.040 0.000 0.849 46 D CB -0.247 40.535 40.800 -0.030 0.000 0.939 46 D HN 0.256 nan 8.370 nan 0.000 0.449 47 A N 0.826 123.622 122.820 -0.040 0.000 1.940 47 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 47 A C 2.581 180.123 177.584 -0.069 0.000 1.176 47 A CA 1.204 53.216 52.037 -0.041 0.000 0.631 47 A CB -0.624 18.358 19.000 -0.031 0.000 0.814 47 A HN 0.172 nan 8.150 nan 0.000 0.446 48 V N -0.025 119.832 119.914 -0.094 0.000 2.548 48 V HA -0.193 3.927 4.120 -0.000 0.000 0.249 48 V C 2.190 178.107 176.094 -0.294 0.000 1.055 48 V CA 1.966 64.146 62.300 -0.201 0.000 1.065 48 V CB -0.725 30.997 31.823 -0.168 0.000 0.681 48 V HN 0.632 nan 8.190 nan 0.000 0.462 49 E N -0.436 119.685 120.200 -0.131 0.000 2.285 49 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 49 E C 2.138 178.737 176.600 -0.002 0.000 0.997 49 E CA 0.331 56.708 56.400 -0.037 0.000 0.845 49 E CB 0.001 29.703 29.700 0.004 0.000 0.782 49 E HN 0.414 nan 8.360 nan 0.000 0.491 50 K N 0.746 121.128 120.400 -0.029 0.000 2.103 50 K HA -0.082 4.238 4.320 -0.000 0.000 0.204 50 K C 2.332 178.936 176.600 0.008 0.000 1.052 50 K CA 1.185 57.469 56.287 -0.005 0.000 0.945 50 K CB -0.029 32.463 32.500 -0.013 0.000 0.722 50 K HN 0.174 nan 8.250 nan 0.000 0.443 51 V N -2.199 117.702 119.914 -0.022 0.000 2.591 51 V HA -0.139 3.981 4.120 -0.000 0.000 0.249 51 V C 1.826 177.983 176.094 0.106 0.000 1.053 51 V CA 1.287 63.594 62.300 0.013 0.000 1.068 51 V CB -0.793 31.016 31.823 -0.022 0.000 0.689 51 V HN 0.273 nan 8.190 nan 0.000 0.462 52 H N 0.893 119.975 119.070 0.019 0.000 2.395 52 H HA 0.177 4.733 4.556 -0.000 0.000 0.299 52 H C 2.442 177.779 175.328 0.015 0.000 1.070 52 H CA 0.994 57.054 56.048 0.020 0.000 1.356 52 H CB 0.096 29.870 29.762 0.021 0.000 1.401 52 H HN 0.571 nan 8.280 nan 0.000 0.524 53 A N 0.917 123.823 122.820 0.143 0.000 2.168 53 A HA -0.088 4.232 4.320 -0.000 0.000 0.215 53 A C 1.808 179.425 177.584 0.056 0.000 1.152 53 A CA 0.946 53.030 52.037 0.077 0.000 0.716 53 A CB -0.055 18.977 19.000 0.054 0.000 0.794 53 A HN 0.295 nan 8.150 nan 0.000 0.465 54 K N -1.303 119.133 120.400 0.061 0.000 2.374 54 K HA 0.242 4.562 4.320 -0.000 0.000 0.196 54 K C 0.876 177.500 176.600 0.041 0.000 1.023 54 K CA 0.415 56.727 56.287 0.042 0.000 1.103 54 K CB 0.156 32.678 32.500 0.037 0.000 0.848 54 K HN 0.563 nan 8.250 nan 0.000 0.528 55 G N 2.473 111.305 108.800 0.054 0.000 2.160 55 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.244 55 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.244 55 G C -0.325 174.603 174.900 0.046 0.000 1.022 55 G CA 0.258 45.381 45.100 0.039 0.000 0.741 55 G HN 0.214 nan 8.290 nan 0.000 0.508 56 K N -0.604 119.844 120.400 0.080 0.000 2.281 56 K HA 0.728 5.048 4.320 -0.000 0.000 0.242 56 K C 0.476 177.165 176.600 0.149 0.000 0.971 56 K CA -0.926 55.410 56.287 0.081 0.000 0.834 56 K CB 1.945 34.480 32.500 0.059 0.000 1.181 56 K HN 0.119 nan 8.250 nan 0.000 0.435 57 L N 0.898 122.200 121.223 0.132 0.000 2.416 57 L HA 0.316 4.656 4.340 -0.000 0.000 0.262 57 L C 0.511 177.458 176.870 0.128 0.000 1.093 57 L CA -0.585 54.359 54.840 0.173 0.000 0.801 57 L CB 1.303 43.463 42.059 0.168 0.000 1.191 57 L HN 0.613 nan 8.230 nan 0.000 0.459 58 T N 0.174 114.797 114.554 0.114 0.000 2.899 58 T HA 0.200 4.550 4.350 -0.000 0.000 0.284 58 T C 1.148 175.836 174.700 -0.019 0.000 1.004 58 T CA 0.039 62.153 62.100 0.024 0.000 1.043 58 T CB 1.699 70.564 68.868 -0.004 0.000 1.013 58 T HN 0.724 nan 8.240 nan 0.000 0.518 59 A N 1.906 124.703 122.820 -0.039 0.000 1.927 59 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 59 A C 2.281 179.751 177.584 -0.191 0.000 1.185 59 A CA 2.019 54.011 52.037 -0.075 0.000 0.639 59 A CB -0.608 18.365 19.000 -0.046 0.000 0.820 59 A HN 0.845 nan 8.150 nan 0.000 0.451 60 R N -0.286 120.073 120.500 -0.235 0.000 2.062 60 R HA -0.115 4.225 4.340 -0.000 0.000 0.229 60 R C 2.030 177.935 176.300 -0.658 0.000 1.128 60 R CA 1.506 57.312 56.100 -0.489 0.000 0.960 60 R CB -0.309 29.778 30.300 -0.354 0.000 0.855 60 R HN 0.682 nan 8.270 nan 0.000 0.432 61 E N 0.082 120.123 120.200 -0.265 0.000 2.160 61 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 61 E C 2.172 178.693 176.600 -0.132 0.000 0.991 61 E CA 1.193 57.549 56.400 -0.073 0.000 0.810 61 E CB -0.045 29.717 29.700 0.103 0.000 0.742 61 E HN 0.374 nan 8.360 nan 0.000 0.466 62 R N 0.481 120.892 120.500 -0.148 0.000 2.081 62 R HA -0.076 4.264 4.340 -0.000 0.000 0.235 62 R C 2.452 178.468 176.300 -0.473 0.000 1.131 62 R CA 1.043 57.052 56.100 -0.152 0.000 0.960 62 R CB -0.267 30.071 30.300 0.064 0.000 0.856 62 R HN 0.192 nan 8.270 nan 0.000 0.436 63 I N -0.070 120.199 120.570 -0.501 0.000 2.226 63 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 63 I C 1.852 177.686 176.117 -0.472 0.000 1.100 63 I CA 1.333 62.278 61.300 -0.593 0.000 1.374 63 I CB -0.306 37.164 38.000 -0.883 0.000 1.057 63 I HN 0.143 nan 8.210 nan 0.000 0.413 64 Y N 0.874 120.951 120.300 -0.371 0.000 2.224 64 Y HA -0.183 4.367 4.550 -0.000 0.000 0.289 64 Y C 2.657 178.409 175.900 -0.247 0.000 1.146 64 Y CA 0.664 58.613 58.100 -0.252 0.000 1.182 64 Y CB -1.358 37.009 38.460 -0.155 0.000 0.983 64 Y HN 0.130 nan 8.280 nan 0.000 0.524 65 A N 0.019 122.727 122.820 -0.187 0.000 1.845 65 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 65 A C 2.305 179.650 177.584 -0.398 0.000 1.195 65 A CA 1.701 53.575 52.037 -0.272 0.000 0.616 65 A CB -1.212 17.579 19.000 -0.348 0.000 0.832 65 A HN 0.368 nan 8.150 nan 0.000 0.443 66 L N -0.022 120.755 121.223 -0.744 0.000 1.955 66 L HA -0.003 4.337 4.340 -0.000 0.000 0.213 66 L C 1.118 177.863 176.870 -0.208 0.000 1.072 66 L CA 1.365 55.899 54.840 -0.510 0.000 0.755 66 L CB -0.630 41.103 42.059 -0.542 0.000 0.888 66 L HN 0.403 nan 8.230 nan 0.000 0.432 67 L N 0.444 121.565 121.223 -0.169 0.000 2.479 67 L HA 0.017 4.357 4.340 -0.000 0.000 0.270 67 L C 0.038 176.894 176.870 -0.024 0.000 1.236 67 L CA -0.500 54.308 54.840 -0.053 0.000 0.823 67 L CB -0.269 41.794 42.059 0.007 0.000 1.098 67 L HN 0.208 nan 8.230 nan 0.000 0.500 68 D N 0.712 121.116 120.400 0.007 0.000 2.414 68 D HA 0.024 4.664 4.640 -0.000 0.000 0.242 68 D C 0.149 176.456 176.300 0.011 0.000 1.129 68 D CA -0.043 53.961 54.000 0.007 0.000 0.885 68 D CB 0.564 41.372 40.800 0.013 0.000 1.198 68 D HN 0.405 nan 8.370 nan 0.000 0.437 69 E N 1.172 121.368 120.200 -0.006 0.000 2.568 69 E HA -0.144 4.206 4.350 -0.000 0.000 0.262 69 E C -0.398 176.190 176.600 -0.020 0.000 0.961 69 E CA 0.063 56.449 56.400 -0.022 0.000 0.945 69 E CB 0.229 29.912 29.700 -0.029 0.000 0.924 69 E HN 0.277 nan 8.360 nan 0.000 0.467 70 D N 2.586 122.959 120.400 -0.045 0.000 2.735 70 D HA -0.172 4.468 4.640 -0.000 0.000 0.235 70 D C 0.169 176.470 176.300 0.003 0.000 1.175 70 D CA 1.243 55.220 54.000 -0.038 0.000 0.683 70 D CB -1.177 39.598 40.800 -0.042 0.000 1.008 70 D HN 0.462 nan 8.370 nan 0.000 0.416 71 S N -1.409 114.320 115.700 0.049 0.000 2.648 71 S HA 0.082 4.552 4.470 -0.000 0.000 0.270 71 S C 0.327 174.982 174.600 0.093 0.000 1.082 71 S CA -0.569 57.668 58.200 0.062 0.000 1.116 71 S CB 0.333 63.575 63.200 0.070 0.000 1.040 71 S HN 0.148 nan 8.310 nan 0.000 0.572 72 F N 3.747 123.687 119.950 -0.016 0.000 2.529 72 F HA 0.547 5.074 4.527 -0.000 0.000 0.365 72 F C -0.506 175.218 175.800 -0.128 0.000 1.102 72 F CA -0.457 57.524 58.000 -0.032 0.000 1.271 72 F CB 1.018 40.089 39.000 0.118 0.000 1.120 72 F HN -0.007 nan 8.300 nan 0.000 0.579 73 V N 6.574 125.774 119.914 -1.190 0.000 2.357 73 V HA 0.182 4.302 4.120 -0.000 0.000 0.281 73 V C -0.202 174.987 176.094 -1.509 0.000 1.015 73 V CA -0.971 60.629 62.300 -1.167 0.000 0.827 73 V CB 1.076 32.169 31.823 -1.217 0.000 1.018 73 V HN 0.779 nan 8.190 nan 0.000 0.432 74 E N 4.496 123.975 120.200 -1.203 0.000 2.373 74 E HA 0.469 4.819 4.350 -0.000 0.000 0.267 74 E C -1.149 175.257 176.600 -0.323 0.000 1.032 74 E CA -0.282 55.706 56.400 -0.686 0.000 0.889 74 E CB 0.910 30.504 29.700 -0.176 0.000 0.984 74 E HN 0.578 nan 8.360 nan 0.000 0.425 75 L N 3.384 124.522 121.223 -0.141 0.000 2.346 75 L HA 0.261 4.601 4.340 -0.000 0.000 0.274 75 L C -0.628 176.231 176.870 -0.019 0.000 1.007 75 L CA -0.911 53.896 54.840 -0.056 0.000 0.818 75 L CB 1.753 43.816 42.059 0.007 0.000 1.284 75 L HN 0.732 nan 8.230 nan 0.000 0.424 76 D N 1.916 122.304 120.400 -0.021 0.000 2.686 76 D HA -0.224 4.416 4.640 -0.000 0.000 0.235 76 D C 1.022 177.316 176.300 -0.010 0.000 1.160 76 D CA 1.028 55.019 54.000 -0.014 0.000 0.645 76 D CB -0.470 40.324 40.800 -0.010 0.000 1.039 76 D HN 0.748 nan 8.370 nan 0.000 0.423 77 A N -0.292 122.517 122.820 -0.018 0.000 1.929 77 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 77 A C 1.820 179.396 177.584 -0.014 0.000 1.176 77 A CA 0.677 52.708 52.037 -0.010 0.000 0.628 77 A CB 0.137 19.126 19.000 -0.019 0.000 0.816 77 A HN 0.279 nan 8.150 nan 0.000 0.444 78 L N -0.220 120.990 121.223 -0.021 0.000 2.685 78 L HA 0.350 4.690 4.340 -0.000 0.000 0.233 78 L C 1.127 177.990 176.870 -0.012 0.000 1.173 78 L CA -0.224 54.604 54.840 -0.021 0.000 0.961 78 L CB -1.953 40.088 42.059 -0.030 0.000 1.217 78 L HN 0.327 nan 8.230 nan 0.000 0.478 79 A N 0.696 123.514 122.820 -0.002 0.000 2.425 79 A HA 0.438 4.758 4.320 -0.000 0.000 0.242 79 A C 0.479 178.075 177.584 0.019 0.000 1.077 79 A CA 0.149 52.190 52.037 0.006 0.000 0.781 79 A CB 0.427 19.435 19.000 0.014 0.000 1.020 79 A HN 0.335 nan 8.150 nan 0.000 0.494 80 K N 0.526 120.933 120.400 0.012 0.000 2.523 80 K HA 0.322 4.642 4.320 -0.000 0.000 0.257 80 K C -1.235 175.362 176.600 -0.006 0.000 0.932 80 K CA -0.781 55.504 56.287 -0.002 0.000 0.812 80 K CB 1.748 34.208 32.500 -0.067 0.000 1.326 80 K HN 1.007 nan 8.250 nan 0.000 0.433 81 H N 0.332 119.442 119.070 0.066 0.000 2.790 81 H HA 0.120 4.676 4.556 -0.000 0.000 0.358 81 H C 0.013 175.350 175.328 0.016 0.000 1.103 81 H CA -0.205 55.863 56.048 0.033 0.000 1.426 81 H CB 0.653 30.428 29.762 0.021 0.000 1.424 81 H HN 0.547 nan 8.280 nan 0.000 0.599 82 R N 2.325 122.904 120.500 0.131 0.000 2.831 82 R HA 0.274 4.614 4.340 -0.000 0.000 0.337 82 R C -0.306 176.071 176.300 0.128 0.000 1.200 82 R CA -0.469 55.671 56.100 0.066 0.000 1.088 82 R CB 0.062 30.375 30.300 0.021 0.000 1.397 82 R HN 0.411 nan 8.270 nan 0.000 0.581 83 S N 0.837 116.732 115.700 0.325 0.000 2.616 83 S HA 0.275 4.745 4.470 -0.000 0.000 0.277 83 S C 0.631 175.310 174.600 0.132 0.000 1.234 83 S CA -0.207 58.081 58.200 0.148 0.000 1.028 83 S CB 1.280 64.476 63.200 -0.007 0.000 0.988 83 S HN 0.478 nan 8.310 nan 0.000 0.522 84 T N 0.317 114.883 114.554 0.021 0.000 3.460 84 T HA 0.346 4.696 4.350 -0.000 0.000 0.304 84 T C -0.566 174.081 174.700 -0.087 0.000 0.991 84 T CA -0.731 61.368 62.100 -0.002 0.000 0.975 84 T CB -0.524 68.334 68.868 -0.017 0.000 1.196 84 T HN 0.476 nan 8.240 nan 0.000 0.490 85 N N 1.813 120.434 118.700 -0.133 0.000 2.473 85 N HA 0.449 5.189 4.740 -0.000 0.000 0.291 85 N C -0.515 174.865 175.510 -0.218 0.000 1.083 85 N CA -0.600 52.243 53.050 -0.345 0.000 0.951 85 N CB 0.546 38.798 38.487 -0.392 0.000 1.164 85 N HN 0.208 nan 8.380 nan 0.000 0.480 86 F N 0.589 120.534 119.950 -0.009 0.000 2.866 86 F HA -0.271 4.256 4.527 -0.000 0.000 0.254 86 F C 0.348 176.156 175.800 0.013 0.000 1.009 86 F CA -0.257 57.742 58.000 -0.003 0.000 0.907 86 F CB -2.266 36.724 39.000 -0.015 0.000 0.859 86 F HN 0.564 nan 8.300 nan 0.000 0.842 87 N N -0.979 117.793 118.700 0.120 0.000 2.708 87 N HA -0.241 4.499 4.740 -0.000 0.000 0.251 87 N C 0.927 176.520 175.510 0.137 0.000 1.017 87 N CA 1.023 54.139 53.050 0.111 0.000 0.742 87 N CB -0.970 37.584 38.487 0.111 0.000 0.943 87 N HN 0.577 nan 8.380 nan 0.000 0.539 88 L N -0.326 120.975 121.223 0.130 0.000 2.477 88 L HA 0.237 4.577 4.340 -0.000 0.000 0.220 88 L C 2.132 179.170 176.870 0.281 0.000 1.106 88 L CA 1.358 56.288 54.840 0.150 0.000 0.851 88 L CB -0.095 41.954 42.059 -0.016 0.000 0.994 88 L HN 0.325 nan 8.230 nan 0.000 0.462 89 G N -1.250 107.677 108.800 0.212 0.000 2.559 89 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 89 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 89 G C 1.339 176.323 174.900 0.139 0.000 1.126 89 G CA 0.383 45.595 45.100 0.186 0.000 0.778 89 G HN 0.335 nan 8.290 nan 0.000 0.543 90 E N -0.261 120.030 120.200 0.151 0.000 2.107 90 E HA 0.069 4.419 4.350 -0.000 0.000 0.191 90 E C 1.296 177.973 176.600 0.128 0.000 0.982 90 E CA 0.641 57.109 56.400 0.114 0.000 0.809 90 E CB 0.150 29.912 29.700 0.103 0.000 0.756 90 E HN 0.339 nan 8.360 nan 0.000 0.459 91 K N 0.830 121.360 120.400 0.217 0.000 2.404 91 K HA 0.297 4.617 4.320 -0.000 0.000 0.257 91 K C -0.856 175.961 176.600 0.361 0.000 1.026 91 K CA -0.333 56.080 56.287 0.209 0.000 0.951 91 K CB 0.498 33.092 32.500 0.156 0.000 1.203 91 K HN -0.150 nan 8.250 nan 0.000 0.446 92 R N 4.806 125.404 120.500 0.164 0.000 2.724 92 R HA 0.235 4.575 4.340 -0.000 0.000 0.284 92 R C -2.390 173.953 176.300 0.072 0.000 1.481 92 R CA -1.659 54.483 56.100 0.070 0.000 1.652 92 R CB 0.891 31.081 30.300 -0.182 0.000 1.175 92 R HN 0.486 nan 8.270 nan 0.000 0.613 93 P HA 0.001 nan 4.420 nan 0.000 0.268 93 P C -0.133 177.208 177.300 0.070 0.000 1.205 93 P CA -0.025 63.108 63.100 0.056 0.000 0.771 93 P CB 1.050 32.750 31.700 -0.001 0.000 0.858 94 L N 1.997 123.236 121.223 0.028 0.000 2.410 94 L HA 0.293 4.633 4.340 -0.000 0.000 0.273 94 L C 1.780 178.668 176.870 0.030 0.000 1.152 94 L CA 0.846 55.697 54.840 0.017 0.000 0.855 94 L CB -0.357 41.693 42.059 -0.014 0.000 1.129 94 L HN 0.852 nan 8.230 nan 0.000 0.463 95 G N 1.683 110.507 108.800 0.039 0.000 2.234 95 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.235 95 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.235 95 G C 0.496 175.445 174.900 0.081 0.000 0.997 95 G CA 0.167 45.291 45.100 0.040 0.000 0.623 95 G HN 0.775 nan 8.290 nan 0.000 0.514 96 D N -1.073 119.415 120.400 0.146 0.000 2.882 96 D HA 0.052 4.692 4.640 -0.000 0.000 0.229 96 D C 1.841 178.355 176.300 0.356 0.000 1.167 96 D CA 3.316 57.475 54.000 0.265 0.000 0.759 96 D CB -1.308 39.640 40.800 0.248 0.000 1.088 96 D HN 2.232 nan 8.370 nan 0.000 0.425 97 G N -2.528 106.424 108.800 0.254 0.000 2.141 97 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.231 97 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.231 97 G C 0.126 175.132 174.900 0.175 0.000 0.984 97 G CA 0.385 45.664 45.100 0.298 0.000 0.660 97 G HN 1.252 nan 8.290 nan 0.000 0.525 98 V N -0.193 119.706 119.914 -0.025 0.000 2.891 98 V HA 0.651 4.771 4.120 -0.000 0.000 0.304 98 V C -0.740 175.311 176.094 -0.072 0.000 1.171 98 V CA -0.570 61.628 62.300 -0.171 0.000 0.943 98 V CB 2.367 33.786 31.823 -0.673 0.000 1.037 98 V HN 0.620 nan 8.190 nan 0.000 0.427 99 V N 6.008 125.908 119.914 -0.024 0.000 2.328 99 V HA 0.604 4.724 4.120 -0.000 0.000 0.278 99 V C 0.446 176.602 176.094 0.103 0.000 1.021 99 V CA 0.066 62.378 62.300 0.019 0.000 0.838 99 V CB 1.367 33.149 31.823 -0.068 0.000 0.999 99 V HN 1.050 nan 8.190 nan 0.000 0.447 100 T N 1.517 116.165 114.554 0.157 0.000 2.949 100 T HA 0.992 5.342 4.350 -0.000 0.000 0.287 100 T C 0.135 175.010 174.700 0.291 0.000 1.034 100 T CA -0.141 62.088 62.100 0.216 0.000 1.018 100 T CB 2.229 71.163 68.868 0.109 0.000 1.135 100 T HN 1.409 nan 8.240 nan 0.000 0.532 101 G N 0.037 109.004 108.800 0.278 0.000 2.362 101 G HA2 0.418 4.378 3.960 -0.000 0.000 0.288 101 G HA3 0.418 4.378 3.960 -0.000 0.000 0.288 101 G C -1.801 173.259 174.900 0.267 0.000 1.305 101 G CA -0.391 44.773 45.100 0.106 0.000 0.910 101 G HN 1.323 nan 8.290 nan 0.000 0.518 102 Y N -1.862 118.450 120.300 0.021 0.000 2.698 102 Y HA 0.965 5.515 4.550 -0.000 0.000 0.332 102 Y C 0.648 176.624 175.900 0.128 0.000 1.119 102 Y CA -0.626 57.532 58.100 0.096 0.000 1.109 102 Y CB 1.319 39.796 38.460 0.028 0.000 1.308 102 Y HN 1.958 nan 8.280 nan 0.000 0.499 103 G N -0.397 108.600 108.800 0.328 0.000 2.356 103 G HA2 0.475 4.435 3.960 -0.000 0.000 0.281 103 G HA3 0.475 4.435 3.960 -0.000 0.000 0.281 103 G C -1.376 173.628 174.900 0.174 0.000 1.246 103 G CA -0.330 44.903 45.100 0.222 0.000 0.889 103 G HN 1.235 nan 8.290 nan 0.000 0.486 104 T N -2.045 112.579 114.554 0.116 0.000 2.906 104 T HA 0.782 5.132 4.350 -0.000 0.000 0.295 104 T C -0.938 173.786 174.700 0.040 0.000 1.075 104 T CA -0.687 61.456 62.100 0.072 0.000 1.005 104 T CB 2.073 70.974 68.868 0.055 0.000 1.136 104 T HN 0.730 nan 8.240 nan 0.000 0.498 105 I N 1.791 122.372 120.570 0.019 0.000 2.503 105 I HA 0.300 4.470 4.170 -0.000 0.000 0.282 105 I C -0.920 175.193 176.117 -0.007 0.000 1.059 105 I CA -0.518 60.781 61.300 -0.001 0.000 1.081 105 I CB 1.419 39.412 38.000 -0.012 0.000 1.210 105 I HN 0.756 nan 8.210 nan 0.000 0.450 106 D N 5.143 125.539 120.400 -0.006 0.000 2.746 106 D HA -0.164 4.476 4.640 -0.000 0.000 0.236 106 D C 1.109 177.407 176.300 -0.004 0.000 1.129 106 D CA 1.782 55.777 54.000 -0.008 0.000 0.691 106 D CB -0.971 39.820 40.800 -0.014 0.000 1.077 106 D HN 1.100 nan 8.370 nan 0.000 0.432 107 G N -0.798 108.004 108.800 0.003 0.000 2.234 107 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.260 107 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.260 107 G C 0.413 175.318 174.900 0.008 0.000 0.987 107 G CA 0.610 45.714 45.100 0.006 0.000 0.625 107 G HN 0.558 nan 8.290 nan 0.000 0.532 108 R N 0.940 121.443 120.500 0.004 0.000 2.407 108 R HA 0.509 4.849 4.340 -0.000 0.000 0.303 108 R C -0.783 175.528 176.300 0.018 0.000 0.981 108 R CA -0.916 55.186 56.100 0.003 0.000 0.905 108 R CB 0.861 31.153 30.300 -0.013 0.000 1.099 108 R HN 0.103 nan 8.270 nan 0.000 0.459 109 D N 1.791 122.205 120.400 0.023 0.000 2.455 109 D HA 0.167 4.807 4.640 -0.000 0.000 0.241 109 D C -0.157 176.170 176.300 0.045 0.000 1.138 109 D CA 0.365 54.391 54.000 0.044 0.000 0.877 109 D CB 0.969 41.781 40.800 0.021 0.000 1.187 109 D HN 0.261 nan 8.370 nan 0.000 0.451 110 V N -0.853 119.112 119.914 0.085 0.000 3.147 110 V HA 0.627 4.747 4.120 -0.000 0.000 0.306 110 V C -0.646 175.537 176.094 0.149 0.000 1.209 110 V CA -0.959 61.392 62.300 0.085 0.000 1.023 110 V CB 1.778 33.637 31.823 0.060 0.000 1.059 110 V HN 0.584 nan 8.190 nan 0.000 0.435 111 C N 2.647 122.031 119.300 0.139 0.000 2.435 111 C HA 0.921 5.381 4.460 -0.000 0.000 0.333 111 C C -0.181 174.921 174.990 0.187 0.000 1.202 111 C CA -0.354 58.781 59.018 0.196 0.000 1.830 111 C CB 0.668 28.505 27.740 0.162 0.000 2.326 111 C HN 1.034 nan 8.230 nan 0.000 0.507 112 I N 2.099 122.810 120.570 0.234 0.000 2.984 112 I HA 0.700 4.870 4.170 -0.000 0.000 0.303 112 I C -1.851 174.411 176.117 0.242 0.000 1.381 112 I CA -0.665 60.732 61.300 0.162 0.000 0.988 112 I CB 1.862 39.892 38.000 0.049 0.000 1.307 112 I HN 0.794 nan 8.210 nan 0.000 0.460 113 F N 3.509 123.476 119.950 0.028 0.000 2.596 113 F HA 0.769 5.296 4.527 -0.000 0.000 0.311 113 F C -1.302 174.475 175.800 -0.040 0.000 1.116 113 F CA -0.716 57.278 58.000 -0.009 0.000 0.957 113 F CB 1.504 40.495 39.000 -0.015 0.000 1.250 113 F HN 0.253 nan 8.300 nan 0.000 0.444 114 S N 2.035 117.714 115.700 -0.034 0.000 2.513 114 S HA 0.515 4.985 4.470 -0.000 0.000 0.299 114 S C -1.191 173.427 174.600 0.031 0.000 1.087 114 S CA -0.630 57.512 58.200 -0.097 0.000 1.012 114 S CB 1.499 64.603 63.200 -0.159 0.000 1.044 114 S HN 0.749 nan 8.310 nan 0.000 0.485 115 Q N 2.154 121.999 119.800 0.074 0.000 2.257 115 Q HA 0.332 4.672 4.340 -0.000 0.000 0.255 115 Q C -1.190 174.880 176.000 0.117 0.000 0.920 115 Q CA -0.758 55.136 55.803 0.152 0.000 0.927 115 Q CB 1.229 30.145 28.738 0.297 0.000 1.229 115 Q HN 0.471 nan 8.270 nan 0.000 0.433 116 D N 1.524 122.004 120.400 0.134 0.000 2.380 116 D HA 0.209 4.849 4.640 -0.000 0.000 0.230 116 D C 0.268 176.644 176.300 0.127 0.000 1.154 116 D CA -0.120 53.939 54.000 0.097 0.000 0.859 116 D CB 1.393 42.237 40.800 0.074 0.000 1.045 116 D HN 0.708 nan 8.370 nan 0.000 0.495 117 A N 2.824 125.699 122.820 0.092 0.000 2.121 117 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 117 A C 1.956 179.579 177.584 0.066 0.000 1.154 117 A CA 1.597 53.686 52.037 0.088 0.000 0.679 117 A CB -0.393 18.644 19.000 0.061 0.000 0.795 117 A HN 0.614 nan 8.150 nan 0.000 0.458 118 T N -3.231 111.348 114.554 0.041 0.000 3.088 118 T HA 0.165 4.515 4.350 -0.000 0.000 0.259 118 T C 0.334 175.024 174.700 -0.017 0.000 1.122 118 T CA 0.637 62.742 62.100 0.009 0.000 1.095 118 T CB -0.346 68.516 68.868 -0.009 0.000 0.930 118 T HN 0.015 nan 8.240 nan 0.000 0.508 119 V N 2.760 122.683 119.914 0.016 0.000 2.304 119 V HA 0.416 4.536 4.120 -0.000 0.000 0.269 119 V C -0.109 176.037 176.094 0.085 0.000 1.036 119 V CA -0.861 61.413 62.300 -0.043 0.000 0.840 119 V CB -0.725 31.127 31.823 0.049 0.000 1.036 119 V HN 0.468 nan 8.190 nan 0.000 0.466 120 F N 3.175 123.153 119.950 0.048 0.000 3.034 120 F HA -0.240 4.287 4.527 -0.000 0.000 0.286 120 F C 1.686 177.498 175.800 0.019 0.000 0.804 120 F CA 1.367 59.380 58.000 0.022 0.000 1.161 120 F CB -1.709 37.292 39.000 0.001 0.000 1.317 120 F HN 0.876 nan 8.300 nan 0.000 0.453 121 G N -1.208 107.691 108.800 0.165 0.000 2.143 121 G HA2 0.168 4.128 3.960 -0.000 0.000 0.248 121 G HA3 0.168 4.128 3.960 -0.000 0.000 0.248 121 G C 1.703 176.683 174.900 0.133 0.000 0.991 121 G CA 1.028 46.202 45.100 0.123 0.000 0.689 121 G HN 2.106 nan 8.290 nan 0.000 0.522 122 G N -1.658 107.247 108.800 0.175 0.000 2.184 122 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.264 122 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.264 122 G C 0.668 175.652 174.900 0.141 0.000 0.975 122 G CA 0.819 46.053 45.100 0.222 0.000 0.642 122 G HN 1.821 nan 8.290 nan 0.000 0.536 123 S N -0.211 115.517 115.700 0.046 0.000 2.558 123 S HA 0.347 4.817 4.470 -0.000 0.000 0.288 123 S C 0.532 174.804 174.600 -0.547 0.000 1.318 123 S CA -0.027 58.096 58.200 -0.128 0.000 1.056 123 S CB 1.329 64.482 63.200 -0.078 0.000 0.853 123 S HN 0.736 nan 8.310 nan 0.000 0.505 124 L N 3.499 124.291 121.223 -0.718 0.000 2.319 124 L HA 0.605 4.945 4.340 -0.000 0.000 0.280 124 L C 0.595 177.037 176.870 -0.713 0.000 1.099 124 L CA 0.001 54.117 54.840 -1.207 0.000 0.828 124 L CB 0.098 41.477 42.059 -1.133 0.000 1.150 124 L HN 0.698 nan 8.230 nan 0.000 0.442 125 G N 2.570 111.035 108.800 -0.558 0.000 2.735 125 G HA2 0.200 4.160 3.960 -0.000 0.000 0.301 125 G HA3 0.200 4.160 3.960 -0.000 0.000 0.301 125 G C 0.126 174.920 174.900 -0.176 0.000 1.279 125 G CA -0.205 44.712 45.100 -0.305 0.000 1.019 125 G HN 0.754 nan 8.290 nan 0.000 0.497 126 E N -1.062 119.063 120.200 -0.124 0.000 2.021 126 E HA -0.187 4.163 4.350 -0.000 0.000 0.200 126 E C 2.494 179.083 176.600 -0.018 0.000 1.015 126 E CA 1.917 58.271 56.400 -0.076 0.000 0.824 126 E CB -0.162 29.508 29.700 -0.051 0.000 0.762 126 E HN 0.187 nan 8.360 nan 0.000 0.454 127 V N 0.635 120.569 119.914 0.034 0.000 2.287 127 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 127 V C 2.252 178.397 176.094 0.086 0.000 1.053 127 V CA 2.154 64.489 62.300 0.057 0.000 1.027 127 V CB -0.931 30.945 31.823 0.088 0.000 0.646 127 V HN 0.449 nan 8.190 nan 0.000 0.447 128 Y N 2.200 122.476 120.300 -0.040 0.000 2.102 128 Y HA -0.258 4.292 4.550 -0.000 0.000 0.280 128 Y C 2.307 178.137 175.900 -0.116 0.000 1.178 128 Y CA 1.813 59.884 58.100 -0.048 0.000 1.146 128 Y CB -1.072 37.363 38.460 -0.042 0.000 0.968 128 Y HN 0.173 nan 8.280 nan 0.000 0.504 129 G N -0.390 108.542 108.800 0.220 0.000 2.421 129 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.216 129 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.216 129 G C 1.535 176.392 174.900 -0.072 0.000 1.171 129 G CA 0.922 46.029 45.100 0.012 0.000 0.775 129 G HN 0.536 nan 8.290 nan 0.000 0.543 130 E N 0.342 120.512 120.200 -0.050 0.000 2.130 130 E HA -0.150 4.200 4.350 -0.000 0.000 0.196 130 E C 2.543 179.101 176.600 -0.070 0.000 0.998 130 E CA 1.094 57.461 56.400 -0.056 0.000 0.806 130 E CB -0.066 29.615 29.700 -0.032 0.000 0.738 130 E HN 0.411 nan 8.360 nan 0.000 0.459 131 K N 0.262 120.615 120.400 -0.079 0.000 2.097 131 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 131 K C 2.126 178.638 176.600 -0.146 0.000 1.049 131 K CA 0.990 57.220 56.287 -0.094 0.000 0.933 131 K CB -0.055 32.381 32.500 -0.106 0.000 0.717 131 K HN 0.159 nan 8.250 nan 0.000 0.442 132 I N 0.515 120.938 120.570 -0.245 0.000 2.286 132 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 132 I C 2.191 178.151 176.117 -0.262 0.000 1.104 132 I CA 0.810 61.869 61.300 -0.401 0.000 1.397 132 I CB -0.147 37.494 38.000 -0.597 0.000 1.072 132 I HN -0.072 nan 8.210 nan 0.000 0.417 133 V N 1.278 121.087 119.914 -0.175 0.000 2.332 133 V HA -0.342 3.778 4.120 -0.000 0.000 0.248 133 V C 2.559 178.612 176.094 -0.068 0.000 1.055 133 V CA 2.062 64.296 62.300 -0.109 0.000 1.038 133 V CB -0.676 31.096 31.823 -0.085 0.000 0.651 133 V HN 0.435 nan 8.190 nan 0.000 0.450 134 K N 0.066 120.430 120.400 -0.059 0.000 2.032 134 K HA -0.194 4.126 4.320 -0.000 0.000 0.209 134 K C 1.999 178.597 176.600 -0.002 0.000 1.048 134 K CA 2.115 58.387 56.287 -0.025 0.000 0.927 134 K CB -0.222 32.267 32.500 -0.018 0.000 0.712 134 K HN 0.387 nan 8.250 nan 0.000 0.441 135 V N 1.450 121.365 119.914 0.001 0.000 2.287 135 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 135 V C 2.430 178.560 176.094 0.059 0.000 1.053 135 V CA 1.958 64.296 62.300 0.062 0.000 1.027 135 V CB -0.820 31.072 31.823 0.114 0.000 0.646 135 V HN 0.413 nan 8.190 nan 0.000 0.447 136 Q N 0.172 119.987 119.800 0.024 0.000 2.045 136 Q HA -0.263 4.077 4.340 -0.000 0.000 0.206 136 Q C 2.364 178.386 176.000 0.037 0.000 0.991 136 Q CA 2.126 57.955 55.803 0.043 0.000 0.851 136 Q CB -0.322 28.426 28.738 0.016 0.000 0.911 136 Q HN 0.706 nan 8.270 nan 0.000 0.418 137 E N 0.313 120.522 120.200 0.016 0.000 2.209 137 E HA -0.208 4.142 4.350 -0.000 0.000 0.196 137 E C 1.945 178.550 176.600 0.009 0.000 0.993 137 E CA 0.683 57.090 56.400 0.011 0.000 0.819 137 E CB -0.072 29.628 29.700 0.000 0.000 0.745 137 E HN 0.182 nan 8.360 nan 0.000 0.477 138 L N 0.901 122.131 121.223 0.012 0.000 2.023 138 L HA -0.058 4.282 4.340 -0.000 0.000 0.205 138 L C 2.307 179.176 176.870 -0.001 0.000 1.073 138 L CA 1.911 56.747 54.840 -0.006 0.000 0.745 138 L CB -0.728 41.330 42.059 -0.003 0.000 0.900 138 L HN 0.013 nan 8.230 nan 0.000 0.435 139 A N -0.082 122.756 122.820 0.031 0.000 1.927 139 A HA -0.266 4.054 4.320 -0.000 0.000 0.220 139 A C 2.283 179.889 177.584 0.037 0.000 1.185 139 A CA 2.524 54.587 52.037 0.043 0.000 0.639 139 A CB -1.060 17.987 19.000 0.080 0.000 0.820 139 A HN 0.547 nan 8.150 nan 0.000 0.451 140 I N -1.037 119.557 120.570 0.039 0.000 2.202 140 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 140 I C 2.579 178.709 176.117 0.021 0.000 1.091 140 I CA 1.745 63.068 61.300 0.038 0.000 1.368 140 I CB -0.335 37.689 38.000 0.040 0.000 1.058 140 I HN 0.389 nan 8.210 nan 0.000 0.410 141 K N 0.867 121.272 120.400 0.007 0.000 2.009 141 K HA -0.220 4.100 4.320 -0.000 0.000 0.210 141 K C 2.125 178.717 176.600 -0.014 0.000 1.049 141 K CA 2.336 58.619 56.287 -0.005 0.000 0.929 141 K CB -0.174 32.317 32.500 -0.016 0.000 0.714 141 K HN 0.425 nan 8.250 nan 0.000 0.440 142 T N -2.885 111.654 114.554 -0.026 0.000 3.035 142 T HA 0.072 4.422 4.350 -0.000 0.000 0.268 142 T C 1.194 175.885 174.700 -0.015 0.000 1.109 142 T CA 0.774 62.851 62.100 -0.037 0.000 1.119 142 T CB -0.192 68.632 68.868 -0.073 0.000 0.900 142 T HN 0.439 nan 8.240 nan 0.000 0.503 143 G N 2.144 110.946 108.800 0.004 0.000 2.225 143 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.264 143 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.264 143 G C -0.172 174.740 174.900 0.021 0.000 1.060 143 G CA -0.299 44.815 45.100 0.022 0.000 0.833 143 G HN 0.690 nan 8.290 nan 0.000 0.498 144 R N -0.969 119.543 120.500 0.019 0.000 2.854 144 R HA 0.604 4.944 4.340 -0.000 0.000 0.271 144 R C -2.782 173.536 176.300 0.030 0.000 0.996 144 R CA -2.710 53.399 56.100 0.015 0.000 0.961 144 R CB 0.248 30.552 30.300 0.006 0.000 1.182 144 R HN 0.021 nan 8.270 nan 0.000 0.479 145 P HA -0.015 nan 4.420 nan 0.000 0.266 145 P C -0.596 176.738 177.300 0.057 0.000 1.193 145 P CA -0.124 62.985 63.100 0.016 0.000 0.770 145 P CB 0.419 32.104 31.700 -0.025 0.000 0.836 146 L N 4.770 126.041 121.223 0.081 0.000 2.316 146 L HA 0.410 4.750 4.340 -0.000 0.000 0.280 146 L C -1.184 175.752 176.870 0.110 0.000 1.006 146 L CA -0.251 54.664 54.840 0.126 0.000 0.836 146 L CB 0.354 42.514 42.059 0.168 0.000 1.221 146 L HN 0.139 nan 8.230 nan 0.000 0.418 147 I N 4.606 125.216 120.570 0.066 0.000 2.331 147 I HA 0.516 4.686 4.170 -0.000 0.000 0.292 147 I C 0.774 176.775 176.117 -0.194 0.000 0.998 147 I CA -0.386 60.903 61.300 -0.018 0.000 1.267 147 I CB 0.978 38.957 38.000 -0.034 0.000 1.386 147 I HN 0.734 nan 8.210 nan 0.000 0.476 148 G N 7.181 115.808 108.800 -0.287 0.000 2.487 148 G HA2 0.671 4.631 3.960 -0.000 0.000 0.314 148 G HA3 0.671 4.631 3.960 -0.000 0.000 0.314 148 G C -0.556 174.004 174.900 -0.567 0.000 1.267 148 G CA -0.401 44.159 45.100 -0.900 0.000 0.937 148 G HN 0.506 nan 8.290 nan 0.000 0.481 149 I N 2.527 122.709 120.570 -0.648 0.000 2.306 149 I HA 0.155 4.325 4.170 -0.000 0.000 0.288 149 I C -0.556 175.452 176.117 -0.181 0.000 1.036 149 I CA -0.763 60.379 61.300 -0.265 0.000 1.221 149 I CB 0.998 38.901 38.000 -0.162 0.000 1.385 149 I HN 0.339 nan 8.210 nan 0.000 0.472 150 N N 5.067 123.709 118.700 -0.097 0.000 2.479 150 N HA 0.464 5.204 4.740 -0.000 0.000 0.285 150 N C -0.842 174.637 175.510 -0.052 0.000 1.075 150 N CA -0.411 52.609 53.050 -0.051 0.000 0.967 150 N CB 0.979 39.402 38.487 -0.106 0.000 1.137 150 N HN 0.449 nan 8.380 nan 0.000 0.472 151 D N 0.615 121.005 120.400 -0.017 0.000 2.229 151 D HA 0.452 5.092 4.640 -0.000 0.000 0.209 151 D C -0.958 175.374 176.300 0.054 0.000 1.295 151 D CA -0.177 53.820 54.000 -0.004 0.000 0.913 151 D CB -0.053 40.754 40.800 0.012 0.000 1.581 151 D HN 0.685 nan 8.370 nan 0.000 0.502 152 G N 0.578 109.398 108.800 0.033 0.000 2.322 152 G HA2 0.664 4.624 3.960 -0.000 0.000 0.295 152 G HA3 0.664 4.624 3.960 -0.000 0.000 0.295 152 G C -0.852 174.103 174.900 0.091 0.000 1.369 152 G CA -0.080 45.081 45.100 0.101 0.000 0.821 152 G HN 0.614 nan 8.290 nan 0.000 0.536 153 A N -0.762 122.126 122.820 0.114 0.000 2.336 153 A HA 0.868 5.188 4.320 -0.000 0.000 0.278 153 A C 1.622 179.311 177.584 0.174 0.000 1.371 153 A CA 1.006 53.104 52.037 0.102 0.000 0.842 153 A CB -0.320 18.729 19.000 0.082 0.000 1.363 153 A HN 2.092 nan 8.150 nan 0.000 0.517 154 G N -1.098 107.780 108.800 0.130 0.000 2.792 154 G HA2 0.447 4.407 3.960 -0.000 0.000 0.147 154 G HA3 0.447 4.407 3.960 -0.000 0.000 0.147 154 G C 0.552 175.539 174.900 0.145 0.000 1.838 154 G CA 0.617 45.810 45.100 0.155 0.000 0.980 154 G HN 1.475 nan 8.290 nan 0.000 0.436 155 A N -1.249 121.648 122.820 0.129 0.000 2.281 155 A HA 0.706 5.026 4.320 -0.000 0.000 0.329 155 A C 0.157 177.702 177.584 -0.065 0.000 1.122 155 A CA -0.690 51.363 52.037 0.026 0.000 0.850 155 A CB 0.766 19.850 19.000 0.139 0.000 1.207 155 A HN 0.473 nan 8.150 nan 0.000 0.495 156 R N 1.085 121.488 120.500 -0.163 0.000 2.248 156 R HA 0.198 4.538 4.340 -0.000 0.000 0.337 156 R C 0.150 176.381 176.300 -0.116 0.000 1.085 156 R CA -0.308 55.684 56.100 -0.179 0.000 0.934 156 R CB 0.109 30.220 30.300 -0.315 0.000 1.034 156 R HN 0.640 nan 8.270 nan 0.000 0.465 157 I N 2.387 122.913 120.570 -0.074 0.000 2.264 157 I HA -0.316 3.854 4.170 -0.000 0.000 0.248 157 I C 1.933 178.040 176.117 -0.017 0.000 1.111 157 I CA 1.457 62.730 61.300 -0.045 0.000 1.382 157 I CB -0.376 37.588 38.000 -0.060 0.000 1.060 157 I HN 0.498 nan 8.210 nan 0.000 0.418 158 Q N 0.719 120.505 119.800 -0.024 0.000 2.124 158 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 158 Q C 2.084 178.143 176.000 0.098 0.000 0.977 158 Q CA 1.428 57.312 55.803 0.136 0.000 0.850 158 Q CB -0.411 28.387 28.738 0.101 0.000 0.901 158 Q HN 0.573 nan 8.270 nan 0.000 0.429 159 E N -0.191 119.975 120.200 -0.057 0.000 2.427 159 E HA 0.091 4.441 4.350 -0.000 0.000 0.196 159 E C 0.737 177.315 176.600 -0.038 0.000 1.028 159 E CA 0.283 56.633 56.400 -0.084 0.000 0.864 159 E CB 0.032 29.634 29.700 -0.163 0.000 0.813 159 E HN 0.365 nan 8.360 nan 0.000 0.514 160 G N 0.670 109.468 108.800 -0.003 0.000 2.642 160 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.231 160 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.231 160 G C 0.858 175.756 174.900 -0.005 0.000 1.338 160 G CA -0.002 45.106 45.100 0.013 0.000 0.883 160 G HN 0.373 nan 8.290 nan 0.000 0.570 161 V N -1.103 118.815 119.914 0.007 0.000 2.982 161 V HA -0.107 4.013 4.120 -0.000 0.000 0.265 161 V C 2.774 178.863 176.094 -0.008 0.000 1.122 161 V CA 2.541 64.847 62.300 0.010 0.000 1.143 161 V CB -1.153 30.680 31.823 0.016 0.000 0.726 161 V HN 1.321 nan 8.190 nan 0.000 0.507 162 V N 2.287 122.184 119.914 -0.029 0.000 2.282 162 V HA -0.275 3.845 4.120 -0.000 0.000 0.249 162 V C 3.028 179.074 176.094 -0.081 0.000 1.057 162 V CA 2.619 64.889 62.300 -0.050 0.000 1.032 162 V CB -1.329 30.458 31.823 -0.061 0.000 0.645 162 V HN 0.840 nan 8.190 nan 0.000 0.447 163 S N 0.324 115.958 115.700 -0.110 0.000 2.383 163 S HA -0.159 4.311 4.470 -0.000 0.000 0.229 163 S C 1.960 176.485 174.600 -0.125 0.000 1.030 163 S CA 1.579 59.658 58.200 -0.202 0.000 1.002 163 S CB -0.728 62.329 63.200 -0.238 0.000 0.829 163 S HN 0.525 nan 8.310 nan 0.000 0.467 164 L N 1.474 122.712 121.223 0.024 0.000 2.046 164 L HA -0.012 4.328 4.340 -0.000 0.000 0.208 164 L C 3.029 179.950 176.870 0.084 0.000 1.077 164 L CA 1.285 56.205 54.840 0.134 0.000 0.747 164 L CB -1.335 40.788 42.059 0.106 0.000 0.896 164 L HN 0.530 nan 8.230 nan 0.000 0.432 165 G N 0.027 108.838 108.800 0.018 0.000 2.418 165 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 165 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 165 G C 1.645 176.527 174.900 -0.030 0.000 1.158 165 G CA 0.490 45.593 45.100 0.005 0.000 0.771 165 G HN 0.217 nan 8.290 nan 0.000 0.545 166 L N -1.108 120.060 121.223 -0.092 0.000 2.093 166 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 166 L C 2.639 179.385 176.870 -0.206 0.000 1.085 166 L CA 0.620 55.368 54.840 -0.155 0.000 0.755 166 L CB -0.336 41.596 42.059 -0.211 0.000 0.904 166 L HN 0.129 nan 8.230 nan 0.000 0.435 167 Y N 0.200 120.343 120.300 -0.261 0.000 2.128 167 Y HA -0.270 4.280 4.550 -0.000 0.000 0.284 167 Y C 2.954 178.426 175.900 -0.714 0.000 1.154 167 Y CA 1.449 59.235 58.100 -0.523 0.000 1.149 167 Y CB -0.638 37.598 38.460 -0.373 0.000 0.976 167 Y HN 0.125 nan 8.280 nan 0.000 0.505 168 S N -0.547 115.119 115.700 -0.056 0.000 2.368 168 S HA -0.227 4.243 4.470 -0.000 0.000 0.225 168 S C 2.071 176.693 174.600 0.037 0.000 1.030 168 S CA 1.429 59.701 58.200 0.120 0.000 0.999 168 S CB -0.295 62.994 63.200 0.149 0.000 0.844 168 S HN 0.312 nan 8.310 nan 0.000 0.459 169 R N 1.170 121.649 120.500 -0.035 0.000 2.091 169 R HA 0.034 4.374 4.340 -0.000 0.000 0.238 169 R C 2.055 178.327 176.300 -0.047 0.000 1.136 169 R CA 1.316 57.398 56.100 -0.031 0.000 0.959 169 R CB -0.491 29.776 30.300 -0.055 0.000 0.856 169 R HN 0.413 nan 8.270 nan 0.000 0.437 170 I N -0.254 120.231 120.570 -0.142 0.000 2.179 170 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 170 I C 1.643 177.758 176.117 -0.003 0.000 1.088 170 I CA 1.107 62.329 61.300 -0.130 0.000 1.357 170 I CB -0.349 37.518 38.000 -0.222 0.000 1.051 170 I HN 0.104 nan 8.210 nan 0.000 0.409 171 F N 0.908 120.920 119.950 0.102 0.000 2.095 171 F HA -0.201 4.326 4.527 -0.000 0.000 0.298 171 F C 2.709 178.539 175.800 0.050 0.000 1.104 171 F CA 1.326 59.375 58.000 0.081 0.000 1.232 171 F CB -1.103 37.932 39.000 0.058 0.000 0.987 171 F HN -0.039 nan 8.300 nan 0.000 0.475 172 R N 0.467 121.103 120.500 0.227 0.000 2.083 172 R HA -0.170 4.170 4.340 -0.000 0.000 0.237 172 R C 2.063 178.423 176.300 0.099 0.000 1.137 172 R CA 1.592 57.771 56.100 0.131 0.000 0.951 172 R CB -0.366 29.987 30.300 0.089 0.000 0.851 172 R HN 0.220 nan 8.270 nan 0.000 0.434 173 N N 0.749 119.498 118.700 0.082 0.000 2.272 173 N HA -0.163 4.577 4.740 -0.000 0.000 0.185 173 N C 1.266 176.831 175.510 0.092 0.000 1.014 173 N CA 1.240 54.331 53.050 0.067 0.000 0.870 173 N CB -0.457 38.056 38.487 0.042 0.000 0.975 173 N HN 0.403 nan 8.380 nan 0.000 0.433 174 N N 0.586 119.363 118.700 0.128 0.000 2.120 174 N HA -0.093 4.647 4.740 -0.000 0.000 0.188 174 N C 1.906 177.487 175.510 0.118 0.000 1.024 174 N CA 0.912 54.051 53.050 0.149 0.000 0.852 174 N CB -0.020 38.595 38.487 0.212 0.000 1.003 174 N HN 0.323 nan 8.380 nan 0.000 0.424 175 I N -0.994 119.636 120.570 0.100 0.000 2.617 175 I HA -0.071 4.099 4.170 -0.000 0.000 0.256 175 I C 1.562 177.709 176.117 0.051 0.000 1.167 175 I CA 0.974 62.311 61.300 0.061 0.000 1.469 175 I CB -0.095 37.925 38.000 0.034 0.000 1.098 175 I HN 0.056 nan 8.210 nan 0.000 0.436 176 L N 1.304 122.562 121.223 0.058 0.000 2.093 176 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 176 L C 2.908 179.811 176.870 0.056 0.000 1.085 176 L CA 1.285 56.154 54.840 0.049 0.000 0.755 176 L CB -0.755 41.332 42.059 0.047 0.000 0.904 176 L HN 0.411 nan 8.230 nan 0.000 0.435 177 A N -1.011 121.853 122.820 0.074 0.000 2.067 177 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 177 A C 1.516 179.162 177.584 0.104 0.000 1.156 177 A CA 0.302 52.394 52.037 0.091 0.000 0.683 177 A CB -0.289 18.775 19.000 0.108 0.000 0.808 177 A HN 0.271 nan 8.150 nan 0.000 0.455 178 S N -0.171 115.582 115.700 0.088 0.000 2.737 178 S HA 0.328 4.798 4.470 -0.000 0.000 0.315 178 S C 1.424 176.049 174.600 0.041 0.000 1.236 178 S CA 1.070 59.319 58.200 0.080 0.000 1.093 178 S CB -0.434 62.795 63.200 0.048 0.000 0.832 178 S HN 1.852 nan 8.310 nan 0.000 0.507 179 G N 2.994 111.821 108.800 0.045 0.000 2.199 179 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.254 179 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.254 179 G C 0.653 175.474 174.900 -0.132 0.000 0.982 179 G CA 0.338 45.340 45.100 -0.162 0.000 0.632 179 G HN 0.825 nan 8.290 nan 0.000 0.529 180 V N 0.080 120.039 119.914 0.076 0.000 2.690 180 V HA 0.434 4.554 4.120 -0.000 0.000 0.240 180 V C 1.046 177.300 176.094 0.266 0.000 1.078 180 V CA 1.024 63.395 62.300 0.118 0.000 1.102 180 V CB 0.284 32.157 31.823 0.084 0.000 0.800 180 V HN 0.285 nan 8.190 nan 0.000 0.479 181 I N 1.260 122.000 120.570 0.283 0.000 2.436 181 I HA 0.432 4.602 4.170 -0.000 0.000 0.289 181 I C -2.802 173.457 176.117 0.236 0.000 1.010 181 I CA -2.868 58.575 61.300 0.238 0.000 1.098 181 I CB 1.670 39.753 38.000 0.138 0.000 1.266 181 I HN 0.085 nan 8.210 nan 0.000 0.434 182 P HA 0.085 nan 4.420 nan 0.000 0.263 182 P C -1.026 176.303 177.300 0.047 0.000 1.195 182 P CA 0.140 63.145 63.100 -0.158 0.000 0.762 182 P CB 0.260 31.717 31.700 -0.406 0.000 0.799 183 Q N 2.969 122.854 119.800 0.141 0.000 2.327 183 Q HA 0.487 4.827 4.340 -0.000 0.000 0.270 183 Q C -0.736 175.373 176.000 0.182 0.000 1.022 183 Q CA -0.732 55.164 55.803 0.155 0.000 0.773 183 Q CB 1.397 30.238 28.738 0.173 0.000 1.251 183 Q HN 0.326 nan 8.270 nan 0.000 0.457 184 I N 1.329 121.986 120.570 0.146 0.000 2.412 184 I HA 0.299 4.469 4.170 -0.000 0.000 0.296 184 I C -0.176 176.009 176.117 0.112 0.000 0.987 184 I CA -0.052 61.343 61.300 0.158 0.000 1.180 184 I CB 2.106 40.166 38.000 0.101 0.000 1.340 184 I HN 0.414 nan 8.210 nan 0.000 0.455 185 S N 6.168 121.943 115.700 0.125 0.000 2.473 185 S HA 0.663 5.133 4.470 -0.000 0.000 0.307 185 S C -0.596 174.040 174.600 0.060 0.000 1.094 185 S CA -0.592 57.654 58.200 0.076 0.000 1.070 185 S CB 1.104 64.364 63.200 0.100 0.000 1.019 185 S HN 0.360 nan 8.310 nan 0.000 0.480 186 L N 4.112 125.340 121.223 0.008 0.000 2.294 186 L HA 0.496 4.836 4.340 -0.000 0.000 0.283 186 L C -0.930 175.924 176.870 -0.026 0.000 1.015 186 L CA -0.591 54.255 54.840 0.010 0.000 0.831 186 L CB 0.894 42.973 42.059 0.033 0.000 1.217 186 L HN 0.530 nan 8.230 nan 0.000 0.420 187 I N 5.453 126.004 120.570 -0.032 0.000 2.282 187 I HA 0.182 4.352 4.170 -0.000 0.000 0.290 187 I C 0.648 176.729 176.117 -0.060 0.000 1.090 187 I CA 0.112 61.377 61.300 -0.058 0.000 1.231 187 I CB 1.006 38.964 38.000 -0.071 0.000 1.434 187 I HN 0.776 nan 8.210 nan 0.000 0.487 188 M N 3.416 122.984 119.600 -0.053 0.000 2.356 188 M HA 0.335 4.815 4.480 -0.000 0.000 0.262 188 M C 0.818 177.096 176.300 -0.036 0.000 1.097 188 M CA -0.026 55.243 55.300 -0.053 0.000 0.991 188 M CB 0.963 33.539 32.600 -0.040 0.000 1.450 188 M HN 0.560 nan 8.290 nan 0.000 0.495 189 G N 0.619 109.394 108.800 -0.041 0.000 3.021 189 G HA2 0.737 4.697 3.960 -0.000 0.000 0.290 189 G HA3 0.737 4.697 3.960 -0.000 0.000 0.290 189 G C -1.700 173.169 174.900 -0.052 0.000 1.291 189 G CA -0.592 44.489 45.100 -0.030 0.000 0.834 189 G HN 0.181 nan 8.290 nan 0.000 0.564 190 A N -0.527 122.266 122.820 -0.045 0.000 2.269 190 A HA 0.708 5.028 4.320 -0.000 0.000 0.302 190 A C 0.286 177.761 177.584 -0.182 0.000 1.266 190 A CA 0.300 52.283 52.037 -0.091 0.000 0.894 190 A CB 0.160 19.153 19.000 -0.012 0.000 1.147 190 A HN 1.840 nan 8.150 nan 0.000 0.537 191 A N 2.718 125.344 122.820 -0.324 0.000 2.277 191 A HA 0.710 5.030 4.320 -0.000 0.000 0.318 191 A C 0.258 177.503 177.584 -0.566 0.000 1.339 191 A CA 0.193 52.022 52.037 -0.346 0.000 0.875 191 A CB 0.213 19.027 19.000 -0.310 0.000 1.158 191 A HN 1.836 nan 8.150 nan 0.000 0.514 192 A N 1.975 124.555 122.820 -0.400 0.000 2.337 192 A HA 0.992 5.312 4.320 -0.000 0.000 0.331 192 A C 0.636 178.166 177.584 -0.090 0.000 1.137 192 A CA 0.101 51.917 52.037 -0.368 0.000 0.807 192 A CB 0.890 19.835 19.000 -0.092 0.000 1.250 192 A HN 2.786 nan 8.150 nan 0.000 0.468 193 G N -0.275 108.504 108.800 -0.035 0.000 2.660 193 G HA2 0.280 4.240 3.960 -0.000 0.000 0.247 193 G HA3 0.280 4.240 3.960 -0.000 0.000 0.247 193 G C 0.801 175.633 174.900 -0.113 0.000 1.328 193 G CA 0.060 45.145 45.100 -0.025 0.000 0.884 193 G HN 1.909 nan 8.290 nan 0.000 0.531 194 G N -1.394 107.330 108.800 -0.127 0.000 2.776 194 G HA2 0.117 4.077 3.960 -0.000 0.000 0.209 194 G HA3 0.117 4.077 3.960 -0.000 0.000 0.209 194 G C 1.105 175.963 174.900 -0.070 0.000 1.145 194 G CA 1.525 46.543 45.100 -0.137 0.000 0.791 194 G HN 1.036 nan 8.290 nan 0.000 0.530 195 H N 0.192 119.119 119.070 -0.238 0.000 2.387 195 H HA -0.141 4.415 4.556 -0.000 0.000 0.299 195 H C 2.736 178.087 175.328 0.039 0.000 1.099 195 H CA 1.357 57.352 56.048 -0.088 0.000 1.315 195 H CB 0.301 30.082 29.762 0.032 0.000 1.380 195 H HN 0.250 nan 8.280 nan 0.000 0.513 196 V N -1.501 118.419 119.914 0.009 0.000 2.828 196 V HA -0.264 3.856 4.120 -0.000 0.000 0.260 196 V C 1.696 177.776 176.094 -0.023 0.000 1.101 196 V CA 1.537 63.776 62.300 -0.102 0.000 1.123 196 V CB -1.400 30.265 31.823 -0.265 0.000 0.704 196 V HN 0.466 nan 8.190 nan 0.000 0.493 197 Y N 0.871 121.208 120.300 0.061 0.000 2.274 197 Y HA -0.191 4.359 4.550 -0.000 0.000 0.290 197 Y C 3.117 179.073 175.900 0.093 0.000 1.145 197 Y CA 1.430 59.494 58.100 -0.060 0.000 1.203 197 Y CB -0.157 38.045 38.460 -0.430 0.000 0.984 197 Y HN 0.392 nan 8.280 nan 0.000 0.533 198 S N 0.251 116.290 115.700 0.564 0.000 2.354 198 S HA -0.143 4.327 4.470 -0.000 0.000 0.219 198 S C -0.595 174.190 174.600 0.308 0.000 1.035 198 S CA 1.646 60.162 58.200 0.527 0.000 1.037 198 S CB -1.159 62.367 63.200 0.542 0.000 0.956 198 S HN 0.165 nan 8.310 nan 0.000 0.428 199 P HA -0.053 nan 4.420 nan 0.000 0.216 199 P C 1.373 178.749 177.300 0.126 0.000 1.150 199 P CA 1.653 64.844 63.100 0.153 0.000 0.843 199 P CB -0.234 31.513 31.700 0.078 0.000 0.787 200 A N -1.007 121.881 122.820 0.113 0.000 2.019 200 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 200 A C 2.116 179.755 177.584 0.093 0.000 1.164 200 A CA 1.308 53.399 52.037 0.091 0.000 0.644 200 A CB -1.530 17.535 19.000 0.108 0.000 0.805 200 A HN 0.162 nan 8.150 nan 0.000 0.449 201 L N 0.112 121.405 121.223 0.116 0.000 2.313 201 L HA -0.014 4.326 4.340 -0.000 0.000 0.214 201 L C 1.852 178.784 176.870 0.103 0.000 1.119 201 L CA 0.751 55.649 54.840 0.096 0.000 0.809 201 L CB -0.690 41.443 42.059 0.123 0.000 0.933 201 L HN 0.578 nan 8.230 nan 0.000 0.449 202 T N -3.806 110.823 114.554 0.125 0.000 2.689 202 T HA -0.007 4.343 4.350 -0.000 0.000 0.308 202 T C 0.807 175.540 174.700 0.055 0.000 1.021 202 T CA -0.398 61.774 62.100 0.121 0.000 0.973 202 T CB 0.710 69.669 68.868 0.151 0.000 1.113 202 T HN 0.033 nan 8.240 nan 0.000 0.522 203 D N -0.619 119.796 120.400 0.026 0.000 2.240 203 D HA 0.151 4.791 4.640 -0.000 0.000 0.206 203 D C -0.136 175.711 176.300 -0.755 0.000 0.963 203 D CA 0.937 54.794 54.000 -0.238 0.000 0.863 203 D CB 0.079 40.834 40.800 -0.076 0.000 0.973 203 D HN 0.463 nan 8.370 nan 0.000 0.501 204 F N 0.100 119.988 119.950 -0.104 0.000 2.569 204 F HA 0.353 4.880 4.527 -0.000 0.000 0.312 204 F C -0.435 175.343 175.800 -0.035 0.000 1.109 204 F CA -1.045 56.757 58.000 -0.330 0.000 0.919 204 F CB 2.420 41.308 39.000 -0.187 0.000 1.211 204 F HN -0.443 nan 8.300 nan 0.000 0.446 205 V N 4.846 124.951 119.914 0.318 0.000 2.349 205 V HA 0.409 4.529 4.120 -0.000 0.000 0.284 205 V C -0.619 175.627 176.094 0.252 0.000 1.014 205 V CA -0.477 61.989 62.300 0.278 0.000 0.826 205 V CB 1.130 33.087 31.823 0.223 0.000 1.009 205 V HN 0.464 nan 8.190 nan 0.000 0.431 206 I N 5.881 126.548 120.570 0.162 0.000 2.336 206 I HA 0.499 4.669 4.170 -0.000 0.000 0.292 206 I C 0.221 176.350 176.117 0.019 0.000 0.991 206 I CA 0.093 61.455 61.300 0.103 0.000 1.227 206 I CB 1.459 39.537 38.000 0.130 0.000 1.366 206 I HN 0.461 nan 8.210 nan 0.000 0.466 207 M N 5.184 124.758 119.600 -0.043 0.000 2.598 207 M HA 0.563 5.043 4.480 -0.000 0.000 0.317 207 M C -0.942 175.278 176.300 -0.133 0.000 1.179 207 M CA -1.072 54.183 55.300 -0.076 0.000 0.936 207 M CB 2.304 34.867 32.600 -0.062 0.000 1.713 207 M HN 0.100 nan 8.290 nan 0.000 0.460 208 V N 1.167 121.012 119.914 -0.115 0.000 2.350 208 V HA 0.123 4.243 4.120 -0.000 0.000 0.276 208 V C -0.413 175.615 176.094 -0.110 0.000 1.028 208 V CA -0.727 61.491 62.300 -0.137 0.000 0.860 208 V CB 1.111 32.858 31.823 -0.127 0.000 0.990 208 V HN 0.779 nan 8.190 nan 0.000 0.453 209 D N 5.144 125.464 120.400 -0.134 0.000 2.472 209 D HA 0.075 4.715 4.640 -0.000 0.000 0.248 209 D C 0.978 177.242 176.300 -0.060 0.000 1.174 209 D CA 0.893 54.835 54.000 -0.096 0.000 0.883 209 D CB 0.509 41.238 40.800 -0.118 0.000 1.149 209 D HN 0.628 nan 8.370 nan 0.000 0.488 210 Q N 1.369 121.150 119.800 -0.031 0.000 5.088 210 Q HA -0.231 4.109 4.340 -0.000 0.000 0.255 210 Q C 1.299 177.292 176.000 -0.011 0.000 1.881 210 Q CA 2.045 57.837 55.803 -0.019 0.000 0.685 210 Q CB -2.027 26.693 28.738 -0.031 0.000 0.549 210 Q HN 0.759 nan 8.270 nan 0.000 0.884 211 T N -1.513 113.026 114.554 -0.024 0.000 3.107 211 T HA 0.291 4.641 4.350 -0.000 0.000 0.249 211 T C 0.629 175.320 174.700 -0.015 0.000 1.096 211 T CA 0.748 62.837 62.100 -0.019 0.000 1.012 211 T CB 0.172 69.020 68.868 -0.032 0.000 0.977 211 T HN 0.395 nan 8.240 nan 0.000 0.527 212 S N 0.045 115.737 115.700 -0.013 0.000 2.540 212 S HA 0.775 5.245 4.470 -0.000 0.000 0.275 212 S C -1.541 173.068 174.600 0.015 0.000 1.123 212 S CA -0.913 57.279 58.200 -0.015 0.000 0.907 212 S CB 2.530 65.706 63.200 -0.041 0.000 1.081 212 S HN 0.199 nan 8.310 nan 0.000 0.476 213 Q N 1.022 120.827 119.800 0.008 0.000 2.528 213 Q HA 0.770 5.110 4.340 -0.000 0.000 0.289 213 Q C -1.167 174.777 176.000 -0.093 0.000 1.091 213 Q CA -0.587 55.250 55.803 0.058 0.000 0.797 213 Q CB 2.403 31.250 28.738 0.181 0.000 1.466 213 Q HN 0.865 nan 8.270 nan 0.000 0.436 214 M N 2.386 121.953 119.600 -0.055 0.000 2.265 214 M HA 0.617 5.097 4.480 -0.000 0.000 0.262 214 M C -2.101 174.156 176.300 -0.072 0.000 1.026 214 M CA -0.443 54.698 55.300 -0.265 0.000 0.987 214 M CB 1.019 33.438 32.600 -0.302 0.000 1.937 214 M HN 0.643 nan 8.290 nan 0.000 0.481 215 F N 3.016 122.966 119.950 -0.000 0.000 2.703 215 F HA 0.539 5.066 4.527 -0.000 0.000 0.308 215 F C -0.577 175.186 175.800 -0.062 0.000 1.126 215 F CA -1.099 56.904 58.000 0.005 0.000 0.959 215 F CB 0.505 39.531 39.000 0.043 0.000 1.297 215 F HN 0.436 nan 8.300 nan 0.000 0.441 216 I N 0.093 120.753 120.570 0.149 0.000 2.277 216 I HA 0.008 4.178 4.170 -0.000 0.000 0.243 216 I C 0.522 176.731 176.117 0.153 0.000 1.094 216 I CA 1.200 62.517 61.300 0.029 0.000 1.393 216 I CB -0.164 37.789 38.000 -0.079 0.000 1.078 216 I HN 0.624 nan 8.210 nan 0.000 0.417 217 T N 0.987 115.650 114.554 0.182 0.000 2.823 217 T HA 0.522 4.872 4.350 -0.000 0.000 0.279 217 T C 0.145 174.875 174.700 0.049 0.000 0.998 217 T CA -0.518 61.653 62.100 0.118 0.000 0.994 217 T CB 1.857 70.749 68.868 0.039 0.000 0.960 217 T HN 0.302 nan 8.240 nan 0.000 0.448 218 G N 2.214 111.024 108.800 0.016 0.000 2.537 218 G HA2 0.387 4.347 3.960 -0.000 0.000 0.273 218 G HA3 0.387 4.347 3.960 -0.000 0.000 0.273 218 G C -1.674 173.089 174.900 -0.229 0.000 1.189 218 G CA -1.493 43.486 45.100 -0.202 0.000 0.881 218 G HN 0.406 nan 8.290 nan 0.000 0.535 219 P HA -0.091 nan 4.420 nan 0.000 0.219 219 P C 1.150 178.386 177.300 -0.106 0.000 1.146 219 P CA 0.992 63.977 63.100 -0.191 0.000 0.808 219 P CB 0.284 31.870 31.700 -0.189 0.000 0.779 220 D N -0.631 119.722 120.400 -0.079 0.000 2.088 220 D HA -0.119 4.521 4.640 -0.000 0.000 0.191 220 D C 2.050 178.327 176.300 -0.037 0.000 0.992 220 D CA 1.332 55.306 54.000 -0.044 0.000 0.831 220 D CB -0.802 39.984 40.800 -0.024 0.000 0.973 220 D HN 0.002 nan 8.370 nan 0.000 0.447 221 V N 1.849 121.743 119.914 -0.032 0.000 2.295 221 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 221 V C 2.657 178.733 176.094 -0.030 0.000 1.049 221 V CA 1.161 63.448 62.300 -0.022 0.000 1.024 221 V CB -0.501 31.316 31.823 -0.010 0.000 0.648 221 V HN 0.186 nan 8.190 nan 0.000 0.447 222 I N -0.005 120.536 120.570 -0.047 0.000 2.248 222 I HA -0.341 3.829 4.170 -0.000 0.000 0.248 222 I C 2.604 178.695 176.117 -0.042 0.000 1.107 222 I CA 2.141 63.411 61.300 -0.049 0.000 1.373 222 I CB -0.438 37.517 38.000 -0.076 0.000 1.055 222 I HN 0.347 nan 8.210 nan 0.000 0.418 223 K N 0.845 121.218 120.400 -0.045 0.000 2.031 223 K HA -0.159 4.161 4.320 -0.000 0.000 0.205 223 K C 1.938 178.522 176.600 -0.026 0.000 1.049 223 K CA 1.888 58.153 56.287 -0.036 0.000 0.939 223 K CB -0.120 32.357 32.500 -0.038 0.000 0.717 223 K HN 0.378 nan 8.250 nan 0.000 0.438 224 T N -1.847 112.693 114.554 -0.023 0.000 3.215 224 T HA 0.063 4.413 4.350 -0.000 0.000 0.254 224 T C 1.227 175.919 174.700 -0.014 0.000 1.149 224 T CA 0.312 62.402 62.100 -0.017 0.000 1.042 224 T CB 0.481 69.340 68.868 -0.014 0.000 0.966 224 T HN 0.032 nan 8.240 nan 0.000 0.534 225 V N 0.670 120.575 119.914 -0.016 0.000 3.431 225 V HA 0.190 4.310 4.120 -0.000 0.000 0.255 225 V C 2.358 178.445 176.094 -0.012 0.000 1.403 225 V CA 0.894 63.186 62.300 -0.012 0.000 1.101 225 V CB 0.787 32.603 31.823 -0.010 0.000 0.891 225 V HN 0.730 nan 8.190 nan 0.000 0.446 226 T N -3.812 110.732 114.554 -0.016 0.000 3.016 226 T HA 0.348 4.698 4.350 -0.000 0.000 0.271 226 T C 1.582 176.271 174.700 -0.017 0.000 0.968 226 T CA 1.135 63.226 62.100 -0.016 0.000 0.891 226 T CB 1.065 69.922 68.868 -0.017 0.000 1.149 226 T HN 0.967 nan 8.240 nan 0.000 0.524 227 G N 1.543 110.332 108.800 -0.019 0.000 2.184 227 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.264 227 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.264 227 G C -0.137 174.749 174.900 -0.023 0.000 0.975 227 G CA 0.379 45.467 45.100 -0.019 0.000 0.642 227 G HN 0.696 nan 8.290 nan 0.000 0.536 228 E N 0.852 121.037 120.200 -0.026 0.000 2.390 228 E HA 0.431 4.781 4.350 -0.000 0.000 0.261 228 E C 0.064 176.642 176.600 -0.038 0.000 1.076 228 E CA 0.185 56.567 56.400 -0.030 0.000 0.905 228 E CB 0.474 30.154 29.700 -0.033 0.000 0.984 228 E HN 0.479 nan 8.360 nan 0.000 0.427 229 E N 1.677 121.854 120.200 -0.038 0.000 2.220 229 E HA 0.328 4.678 4.350 -0.000 0.000 0.256 229 E C -1.023 175.547 176.600 -0.049 0.000 0.881 229 E CA -0.478 55.896 56.400 -0.043 0.000 0.766 229 E CB 1.510 31.190 29.700 -0.033 0.000 1.187 229 E HN 0.272 nan 8.360 nan 0.000 0.419 230 V N -0.661 119.213 119.914 -0.066 0.000 3.049 230 V HA 0.635 4.755 4.120 -0.000 0.000 0.309 230 V C 0.271 176.312 176.094 -0.088 0.000 1.148 230 V CA -1.049 61.207 62.300 -0.073 0.000 0.990 230 V CB 1.498 33.270 31.823 -0.087 0.000 1.039 230 V HN 0.666 nan 8.190 nan 0.000 0.430 231 T N -0.201 114.309 114.554 -0.073 0.000 2.824 231 T HA 0.458 4.808 4.350 -0.000 0.000 0.277 231 T C 1.057 175.703 174.700 -0.091 0.000 0.975 231 T CA -0.424 61.636 62.100 -0.067 0.000 0.966 231 T CB 1.140 69.986 68.868 -0.037 0.000 1.054 231 T HN 0.654 nan 8.240 nan 0.000 0.533 232 M N -0.129 119.436 119.600 -0.060 0.000 2.175 232 M HA -0.024 4.456 4.480 -0.000 0.000 0.264 232 M C 2.376 178.716 176.300 0.067 0.000 1.063 232 M CA 1.645 56.932 55.300 -0.022 0.000 1.119 232 M CB -0.581 32.103 32.600 0.141 0.000 1.377 232 M HN 0.803 nan 8.290 nan 0.000 0.415 233 E N 1.265 121.492 120.200 0.045 0.000 2.077 233 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 233 E C 1.570 178.184 176.600 0.023 0.000 0.989 233 E CA 1.738 58.164 56.400 0.044 0.000 0.800 233 E CB -0.057 29.653 29.700 0.016 0.000 0.746 233 E HN 0.520 nan 8.360 nan 0.000 0.452 234 E N -0.375 119.819 120.200 -0.009 0.000 2.106 234 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 234 E C 2.037 178.614 176.600 -0.038 0.000 0.984 234 E CA 0.875 57.263 56.400 -0.020 0.000 0.806 234 E CB -0.161 29.519 29.700 -0.034 0.000 0.750 234 E HN 0.198 nan 8.360 nan 0.000 0.458 235 L N -0.022 121.167 121.223 -0.057 0.000 1.988 235 L HA 0.006 4.346 4.340 -0.000 0.000 0.207 235 L C 1.658 178.525 176.870 -0.005 0.000 1.071 235 L CA 2.197 56.990 54.840 -0.078 0.000 0.744 235 L CB -0.313 41.615 42.059 -0.219 0.000 0.893 235 L HN 0.099 nan 8.230 nan 0.000 0.433 236 G N -1.112 107.793 108.800 0.176 0.000 4.379 236 G HA2 0.429 4.389 3.960 -0.000 0.000 0.290 236 G HA3 0.429 4.389 3.960 -0.000 0.000 0.290 236 G C 0.402 175.474 174.900 0.287 0.000 1.065 236 G CA 0.135 45.434 45.100 0.330 0.000 0.833 236 G HN 0.623 nan 8.290 nan 0.000 0.512 237 G N -0.554 108.319 108.800 0.122 0.000 2.651 237 G HA2 0.452 4.412 3.960 -0.000 0.000 0.260 237 G HA3 0.452 4.412 3.960 -0.000 0.000 0.260 237 G C 1.320 176.295 174.900 0.124 0.000 1.216 237 G CA 0.334 45.502 45.100 0.114 0.000 0.913 237 G HN 0.458 nan 8.290 nan 0.000 0.535 238 A N -0.623 122.246 122.820 0.083 0.000 1.883 238 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 238 A C 2.085 179.693 177.584 0.040 0.000 1.186 238 A CA 2.129 54.194 52.037 0.047 0.000 0.624 238 A CB -1.008 17.979 19.000 -0.023 0.000 0.822 238 A HN 0.875 nan 8.150 nan 0.000 0.444 239 H N -0.150 118.893 119.070 -0.046 0.000 2.387 239 H HA -0.102 4.454 4.556 -0.000 0.000 0.299 239 H C 1.864 177.158 175.328 -0.057 0.000 1.090 239 H CA 2.035 58.052 56.048 -0.052 0.000 1.332 239 H CB -0.328 29.403 29.762 -0.051 0.000 1.386 239 H HN 0.404 nan 8.280 nan 0.000 0.516 240 T N 0.592 115.109 114.554 -0.062 0.000 2.777 240 T HA -0.110 4.240 4.350 -0.000 0.000 0.266 240 T C 1.580 176.098 174.700 -0.303 0.000 1.040 240 T CA 1.131 63.108 62.100 -0.205 0.000 1.141 240 T CB -0.263 68.470 68.868 -0.225 0.000 0.868 240 T HN 0.557 nan 8.240 nan 0.000 0.444 241 H N -0.355 118.657 119.070 -0.096 0.000 2.547 241 H HA 0.249 4.805 4.556 -0.000 0.000 0.266 241 H C 1.842 177.039 175.328 -0.218 0.000 0.988 241 H CA 0.602 56.569 56.048 -0.135 0.000 1.147 241 H CB 0.152 29.853 29.762 -0.101 0.000 1.365 241 H HN 0.298 nan 8.280 nan 0.000 0.589 242 M N -0.434 119.088 119.600 -0.131 0.000 2.657 242 M HA 0.273 4.753 4.480 -0.000 0.000 0.262 242 M C 1.809 178.047 176.300 -0.103 0.000 1.213 242 M CA 1.049 56.252 55.300 -0.162 0.000 1.182 242 M CB 0.368 32.890 32.600 -0.131 0.000 1.303 242 M HN 0.020 nan 8.290 nan 0.000 0.501 243 A N -0.695 122.026 122.820 -0.165 0.000 2.229 243 A HA 0.263 4.583 4.320 -0.000 0.000 0.211 243 A C 1.808 179.443 177.584 0.084 0.000 1.193 243 A CA 0.261 52.283 52.037 -0.025 0.000 0.879 243 A CB 0.047 18.869 19.000 -0.297 0.000 0.911 243 A HN 0.464 nan 8.150 nan 0.000 0.492 244 K N -0.203 120.185 120.400 -0.019 0.000 2.266 244 K HA 0.023 4.343 4.320 -0.000 0.000 0.209 244 K C 2.202 178.847 176.600 0.075 0.000 1.065 244 K CA 1.131 57.440 56.287 0.036 0.000 0.946 244 K CB -0.034 32.437 32.500 -0.048 0.000 1.069 244 K HN 0.428 nan 8.250 nan 0.000 0.472 245 S N 0.075 115.757 115.700 -0.030 0.000 2.446 245 S HA 0.065 4.535 4.470 -0.000 0.000 0.225 245 S C 1.422 175.920 174.600 -0.169 0.000 1.016 245 S CA 0.637 58.828 58.200 -0.014 0.000 0.943 245 S CB 0.039 63.291 63.200 0.088 0.000 0.786 245 S HN 0.453 nan 8.310 nan 0.000 0.508 246 G N 0.435 108.914 108.800 -0.535 0.000 2.225 246 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.264 246 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.264 246 G C 0.406 174.954 174.900 -0.586 0.000 1.060 246 G CA 0.532 44.903 45.100 -1.215 0.000 0.833 246 G HN 0.548 nan 8.290 nan 0.000 0.498 247 T N -0.770 113.576 114.554 -0.347 0.000 3.034 247 T HA 0.541 4.891 4.350 -0.000 0.000 0.248 247 T C 1.438 175.973 174.700 -0.275 0.000 1.040 247 T CA 1.162 63.117 62.100 -0.243 0.000 1.107 247 T CB 0.441 69.229 68.868 -0.133 0.000 0.932 247 T HN 1.396 nan 8.240 nan 0.000 0.474 248 A N 0.774 123.453 122.820 -0.237 0.000 2.301 248 A HA 0.556 4.876 4.320 -0.000 0.000 0.312 248 A C 0.122 177.581 177.584 -0.208 0.000 1.182 248 A CA -0.384 51.572 52.037 -0.134 0.000 0.826 248 A CB 0.404 19.368 19.000 -0.059 0.000 1.134 248 A HN 0.419 nan 8.150 nan 0.000 0.501 249 H N -0.217 118.870 119.070 0.029 0.000 2.553 249 H HA 0.226 4.782 4.556 -0.000 0.000 0.276 249 H C -0.744 174.630 175.328 0.078 0.000 0.979 249 H CA 1.259 57.364 56.048 0.097 0.000 1.268 249 H CB 0.303 30.227 29.762 0.271 0.000 1.450 249 H HN 0.646 nan 8.280 nan 0.000 0.527 250 Y N 0.118 120.366 120.300 -0.086 0.000 2.513 250 Y HA 0.589 5.139 4.550 -0.000 0.000 0.340 250 Y C -1.627 174.140 175.900 -0.222 0.000 1.055 250 Y CA -1.997 55.919 58.100 -0.308 0.000 1.020 250 Y CB 1.400 39.316 38.460 -0.907 0.000 1.301 250 Y HN -0.054 nan 8.280 nan 0.000 0.453 251 A N 4.455 126.711 122.820 -0.940 0.000 2.394 251 A HA 0.810 5.130 4.320 -0.000 0.000 0.333 251 A C -0.555 176.381 177.584 -1.081 0.000 1.397 251 A CA -0.083 51.523 52.037 -0.719 0.000 0.884 251 A CB -0.439 18.334 19.000 -0.378 0.000 1.147 251 A HN 1.102 nan 8.150 nan 0.000 0.505 252 A N 1.747 124.073 122.820 -0.823 0.000 2.371 252 A HA 0.504 4.824 4.320 -0.000 0.000 0.257 252 A C 1.377 178.806 177.584 -0.259 0.000 1.089 252 A CA 0.262 52.013 52.037 -0.476 0.000 0.794 252 A CB 0.186 19.101 19.000 -0.142 0.000 1.029 252 A HN 1.682 nan 8.150 nan 0.000 0.488 253 S N 0.905 116.521 115.700 -0.140 0.000 2.562 253 S HA 0.422 4.892 4.470 -0.000 0.000 0.221 253 S C 0.796 175.350 174.600 -0.077 0.000 0.975 253 S CA 0.405 58.550 58.200 -0.091 0.000 0.918 253 S CB -0.318 62.857 63.200 -0.041 0.000 0.772 253 S HN 1.899 nan 8.310 nan 0.000 0.531 254 G N 0.006 108.752 108.800 -0.090 0.000 2.506 254 G HA2 0.399 4.359 3.960 -0.000 0.000 0.292 254 G HA3 0.399 4.359 3.960 -0.000 0.000 0.292 254 G C -0.297 174.499 174.900 -0.173 0.000 1.425 254 G CA -0.646 44.395 45.100 -0.099 0.000 0.788 254 G HN 0.012 nan 8.290 nan 0.000 0.490 255 E N -0.591 119.482 120.200 -0.211 0.000 2.085 255 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 255 E C 2.237 178.406 176.600 -0.719 0.000 0.994 255 E CA 1.473 57.604 56.400 -0.447 0.000 0.801 255 E CB 0.124 29.649 29.700 -0.291 0.000 0.743 255 E HN 0.401 nan 8.360 nan 0.000 0.453 256 Q N 1.130 120.765 119.800 -0.275 0.000 2.046 256 Q HA -0.177 4.163 4.340 -0.000 0.000 0.200 256 Q C 1.720 177.695 176.000 -0.041 0.000 0.975 256 Q CA 1.770 57.540 55.803 -0.055 0.000 0.836 256 Q CB -0.346 28.436 28.738 0.073 0.000 0.896 256 Q HN 0.165 nan 8.270 nan 0.000 0.428 257 D N -0.667 119.713 120.400 -0.033 0.000 2.133 257 D HA -0.186 4.454 4.640 -0.000 0.000 0.195 257 D C 1.583 177.949 176.300 0.111 0.000 0.997 257 D CA 1.667 55.707 54.000 0.066 0.000 0.840 257 D CB -0.298 40.549 40.800 0.078 0.000 0.947 257 D HN 0.310 nan 8.370 nan 0.000 0.452 258 A N -0.423 122.373 122.820 -0.040 0.000 1.865 258 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 258 A C 2.143 179.770 177.584 0.071 0.000 1.191 258 A CA 1.538 53.570 52.037 -0.008 0.000 0.623 258 A CB -1.183 17.674 19.000 -0.239 0.000 0.826 258 A HN 0.301 nan 8.150 nan 0.000 0.444 259 F N 0.941 120.947 119.950 0.093 0.000 2.095 259 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 259 F C 2.158 177.997 175.800 0.065 0.000 1.104 259 F CA 1.123 59.159 58.000 0.060 0.000 1.232 259 F CB -1.096 37.922 39.000 0.031 0.000 0.987 259 F HN 0.234 nan 8.300 nan 0.000 0.475 260 D N -1.054 119.493 120.400 0.245 0.000 2.158 260 D HA -0.252 4.388 4.640 -0.000 0.000 0.197 260 D C 2.139 178.499 176.300 0.101 0.000 0.995 260 D CA 1.362 55.451 54.000 0.148 0.000 0.846 260 D CB -0.677 40.196 40.800 0.121 0.000 0.941 260 D HN 0.322 nan 8.370 nan 0.000 0.456 261 Y N 1.617 121.900 120.300 -0.027 0.000 2.089 261 Y HA -0.236 4.314 4.550 -0.000 0.000 0.282 261 Y C 2.427 178.268 175.900 -0.097 0.000 1.139 261 Y CA 1.145 59.149 58.100 -0.160 0.000 1.123 261 Y CB -0.431 37.850 38.460 -0.297 0.000 0.980 261 Y HN -0.226 nan 8.280 nan 0.000 0.493 262 V N 1.067 121.081 119.914 0.167 0.000 2.317 262 V HA -0.396 3.724 4.120 -0.000 0.000 0.251 262 V C 2.377 178.443 176.094 -0.047 0.000 1.065 262 V CA 2.417 64.755 62.300 0.063 0.000 1.049 262 V CB -0.696 31.206 31.823 0.132 0.000 0.651 262 V HN 0.394 nan 8.190 nan 0.000 0.450 263 R N -0.285 120.209 120.500 -0.010 0.000 2.081 263 R HA -0.197 4.143 4.340 -0.000 0.000 0.235 263 R C 2.362 178.612 176.300 -0.083 0.000 1.131 263 R CA 1.658 57.737 56.100 -0.036 0.000 0.960 263 R CB -0.328 29.972 30.300 0.001 0.000 0.856 263 R HN 0.535 nan 8.270 nan 0.000 0.436 264 E N 1.268 121.398 120.200 -0.116 0.000 2.031 264 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 264 E C 1.826 178.363 176.600 -0.106 0.000 0.994 264 E CA 0.957 57.288 56.400 -0.115 0.000 0.800 264 E CB -0.247 29.329 29.700 -0.206 0.000 0.752 264 E HN 0.110 nan 8.360 nan 0.000 0.447 265 L N -0.019 121.009 121.223 -0.325 0.000 2.012 265 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 265 L C 2.000 178.693 176.870 -0.295 0.000 1.073 265 L CA 1.604 56.209 54.840 -0.391 0.000 0.748 265 L CB -0.711 41.014 42.059 -0.556 0.000 0.891 265 L HN 0.264 nan 8.230 nan 0.000 0.431 266 L N -0.297 120.786 121.223 -0.232 0.000 2.362 266 L HA -0.082 4.258 4.340 -0.000 0.000 0.219 266 L C 2.641 179.403 176.870 -0.179 0.000 1.134 266 L CA 1.674 56.391 54.840 -0.204 0.000 0.807 266 L CB -1.035 40.940 42.059 -0.140 0.000 0.927 266 L HN 0.629 nan 8.230 nan 0.000 0.447 267 S N -2.640 112.965 115.700 -0.159 0.000 2.561 267 S HA -0.088 4.382 4.470 -0.000 0.000 0.225 267 S C 1.660 176.028 174.600 -0.387 0.000 0.977 267 S CA 0.400 58.462 58.200 -0.231 0.000 0.926 267 S CB -0.393 62.666 63.200 -0.236 0.000 0.769 267 S HN 0.457 nan 8.310 nan 0.000 0.533 268 Y N 1.031 121.117 120.300 -0.356 0.000 2.524 268 Y HA 0.498 5.048 4.550 -0.000 0.000 0.270 268 Y C 0.920 176.562 175.900 -0.430 0.000 1.094 268 Y CA -0.524 57.324 58.100 -0.420 0.000 1.276 268 Y CB 0.167 38.270 38.460 -0.595 0.000 1.130 268 Y HN 0.169 nan 8.280 nan 0.000 0.536 269 L N 2.824 123.867 121.223 -0.300 0.000 2.379 269 L HA 0.333 4.673 4.340 -0.000 0.000 0.269 269 L C -2.119 174.625 176.870 -0.209 0.000 1.084 269 L CA -2.083 52.573 54.840 -0.307 0.000 0.802 269 L CB 0.790 42.579 42.059 -0.451 0.000 1.175 269 L HN -0.151 nan 8.230 nan 0.000 0.448 270 P HA 0.233 nan 4.420 nan 0.000 0.279 270 P C -2.357 174.893 177.300 -0.084 0.000 1.276 270 P CA -1.539 61.517 63.100 -0.072 0.000 0.801 270 P CB 0.566 32.272 31.700 0.010 0.000 1.127 271 P HA -0.102 nan 4.420 nan 0.000 0.221 271 P C -0.156 177.152 177.300 0.012 0.000 1.150 271 P CA 1.552 64.636 63.100 -0.026 0.000 0.800 271 P CB 0.065 31.759 31.700 -0.010 0.000 0.787 272 N N -1.673 117.068 118.700 0.069 0.000 3.116 272 N HA 0.037 4.777 4.740 -0.000 0.000 0.244 272 N C 0.292 175.938 175.510 0.228 0.000 1.485 272 N CA -0.828 52.314 53.050 0.155 0.000 0.884 272 N CB -0.730 37.816 38.487 0.099 0.000 1.415 272 N HN -0.305 nan 8.380 nan 0.000 0.524 273 N N -0.836 118.009 118.700 0.242 0.000 2.609 273 N HA -0.058 4.682 4.740 -0.000 0.000 0.190 273 N C -0.247 175.306 175.510 0.072 0.000 1.157 273 N CA 0.684 53.820 53.050 0.143 0.000 0.918 273 N CB -0.366 38.114 38.487 -0.012 0.000 0.978 273 N HN 0.473 nan 8.380 nan 0.000 0.448 274 S N -1.092 114.649 115.700 0.069 0.000 2.575 274 S HA 0.105 4.575 4.470 -0.000 0.000 0.215 274 S C 0.297 174.918 174.600 0.035 0.000 0.966 274 S CA -0.106 58.118 58.200 0.039 0.000 0.911 274 S CB 0.247 63.466 63.200 0.031 0.000 0.780 274 S HN 0.390 nan 8.310 nan 0.000 0.514 275 T N 2.263 116.846 114.554 0.048 0.000 2.924 275 T HA 0.395 4.745 4.350 -0.000 0.000 0.291 275 T C -1.093 173.629 174.700 0.037 0.000 1.045 275 T CA -0.845 61.275 62.100 0.033 0.000 1.015 275 T CB 1.360 70.243 68.868 0.024 0.000 1.103 275 T HN -0.084 nan 8.240 nan 0.000 0.496 276 D N 1.658 122.070 120.400 0.019 0.000 2.255 276 D HA 0.485 5.125 4.640 -0.000 0.000 0.249 276 D C 0.189 176.489 176.300 0.000 0.000 1.078 276 D CA -0.266 53.743 54.000 0.015 0.000 0.896 276 D CB 0.926 41.730 40.800 0.007 0.000 1.194 276 D HN 0.714 nan 8.370 nan 0.000 0.429 277 A N 3.688 126.507 122.820 -0.000 0.000 2.567 277 A HA 0.223 4.543 4.320 -0.000 0.000 0.240 277 A C -1.885 175.655 177.584 -0.072 0.000 1.053 277 A CA -0.810 51.204 52.037 -0.039 0.000 0.755 277 A CB -0.463 18.521 19.000 -0.027 0.000 0.978 277 A HN 0.385 nan 8.150 nan 0.000 0.507 278 P HA 0.109 nan 4.420 nan 0.000 0.264 278 P C -0.621 176.560 177.300 -0.198 0.000 1.193 278 P CA 0.444 63.466 63.100 -0.131 0.000 0.763 278 P CB 0.476 32.088 31.700 -0.148 0.000 0.810 279 R N 2.293 122.717 120.500 -0.126 0.000 2.589 279 R HA 0.479 4.819 4.340 -0.000 0.000 0.293 279 R C -0.164 176.124 176.300 -0.019 0.000 0.963 279 R CA -0.722 55.304 56.100 -0.124 0.000 0.905 279 R CB 0.944 31.222 30.300 -0.037 0.000 1.144 279 R HN 0.405 nan 8.270 nan 0.000 0.459 280 Y N 0.980 121.256 120.300 -0.040 0.000 2.326 280 Y HA 0.089 4.639 4.550 -0.000 0.000 0.324 280 Y C 0.791 176.679 175.900 -0.021 0.000 1.291 280 Y CA -1.199 56.878 58.100 -0.038 0.000 1.348 280 Y CB 0.571 39.004 38.460 -0.045 0.000 1.294 280 Y HN 0.449 nan 8.280 nan 0.000 0.525 281 Q N 1.567 121.462 119.800 0.158 0.000 2.339 281 Q HA 0.208 4.548 4.340 -0.000 0.000 0.308 281 Q C -0.180 175.864 176.000 0.073 0.000 1.097 281 Q CA -0.235 55.613 55.803 0.075 0.000 1.007 281 Q CB 0.277 29.034 28.738 0.031 0.000 1.051 281 Q HN 0.758 nan 8.270 nan 0.000 0.381 282 A N 3.586 126.439 122.820 0.055 0.000 2.346 282 A HA 0.534 4.854 4.320 -0.000 0.000 0.255 282 A C -0.146 177.459 177.584 0.035 0.000 1.113 282 A CA 0.240 52.305 52.037 0.046 0.000 0.798 282 A CB 0.223 19.244 19.000 0.034 0.000 1.073 282 A HN 0.901 nan 8.150 nan 0.000 0.502 283 A N -0.924 121.914 122.820 0.030 0.000 2.293 283 A HA 0.624 4.944 4.320 -0.000 0.000 0.302 283 A C 0.322 177.914 177.584 0.013 0.000 1.119 283 A CA 0.073 52.123 52.037 0.021 0.000 0.823 283 A CB 0.514 19.527 19.000 0.022 0.000 1.097 283 A HN 2.107 nan 8.150 nan 0.000 0.491 284 A N 3.195 126.020 122.820 0.008 0.000 2.937 284 A HA 0.585 4.905 4.320 -0.000 0.000 0.338 284 A C -1.306 176.277 177.584 -0.001 0.000 1.273 284 A CA -1.099 50.940 52.037 0.003 0.000 0.937 284 A CB -0.831 18.170 19.000 0.002 0.000 1.133 284 A HN 0.772 nan 8.150 nan 0.000 0.491 285 P HA 0.454 nan 4.420 nan 0.000 0.307 285 P C 0.521 177.814 177.300 -0.013 0.000 1.306 285 P CA 0.610 63.705 63.100 -0.010 0.000 0.742 285 P CB 0.746 32.438 31.700 -0.014 0.000 1.349 286 T N -6.572 107.972 114.554 -0.018 0.000 3.051 286 T HA 0.432 4.782 4.350 -0.000 0.000 0.254 286 T C 0.832 175.518 174.700 -0.024 0.000 0.916 286 T CA 0.677 62.766 62.100 -0.017 0.000 0.894 286 T CB -0.632 68.227 68.868 -0.015 0.000 1.251 286 T HN 0.907 nan 8.240 nan 0.000 0.517 287 G N 3.106 111.887 108.800 -0.031 0.000 2.846 287 G HA2 0.065 4.025 3.960 -0.000 0.000 0.660 287 G HA3 0.065 4.025 3.960 -0.000 0.000 0.660 287 G C -2.716 172.162 174.900 -0.036 0.000 1.464 287 G CA -0.464 44.611 45.100 -0.042 0.000 0.891 287 G HN 0.582 nan 8.290 nan 0.000 0.552 288 P HA 0.375 nan 4.420 nan 0.000 0.289 288 P C 1.411 178.658 177.300 -0.088 0.000 1.299 288 P CA -0.524 62.542 63.100 -0.058 0.000 0.766 288 P CB 0.587 32.264 31.700 -0.040 0.000 1.226 289 I N -0.239 120.254 120.570 -0.128 0.000 2.454 289 I HA -0.247 3.923 4.170 -0.000 0.000 0.254 289 I C 2.364 178.304 176.117 -0.295 0.000 1.156 289 I CA 1.580 62.761 61.300 -0.198 0.000 1.433 289 I CB -0.778 37.084 38.000 -0.231 0.000 1.082 289 I HN 0.487 nan 8.210 nan 0.000 0.432 290 E N 1.365 121.407 120.200 -0.264 0.000 2.274 290 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 290 E C 1.554 178.095 176.600 -0.098 0.000 0.996 290 E CA 0.956 57.232 56.400 -0.207 0.000 0.840 290 E CB -0.244 29.444 29.700 -0.020 0.000 0.772 290 E HN 0.577 nan 8.360 nan 0.000 0.491 291 E N 0.367 120.521 120.200 -0.077 0.000 2.385 291 E HA 0.076 4.426 4.350 -0.000 0.000 0.194 291 E C 0.782 177.353 176.600 -0.047 0.000 1.013 291 E CA 0.001 56.373 56.400 -0.046 0.000 0.866 291 E CB 0.218 29.899 29.700 -0.033 0.000 0.832 291 E HN 0.228 nan 8.360 nan 0.000 0.500 292 N N 0.946 119.607 118.700 -0.066 0.000 2.380 292 N HA 0.126 4.866 4.740 -0.000 0.000 0.255 292 N C -0.651 174.826 175.510 -0.055 0.000 1.158 292 N CA 0.084 53.103 53.050 -0.051 0.000 0.878 292 N CB 0.656 39.114 38.487 -0.048 0.000 1.138 292 N HN 0.086 nan 8.380 nan 0.000 0.509 293 L N 1.665 122.851 121.223 -0.061 0.000 2.283 293 L HA 0.148 4.488 4.340 -0.000 0.000 0.287 293 L C 1.394 178.250 176.870 -0.023 0.000 1.073 293 L CA -0.258 54.552 54.840 -0.050 0.000 0.822 293 L CB 0.650 42.677 42.059 -0.053 0.000 1.186 293 L HN 0.095 nan 8.230 nan 0.000 0.436 294 T N -1.903 112.643 114.554 -0.013 0.000 2.732 294 T HA 0.078 4.428 4.350 -0.000 0.000 0.287 294 T C 0.846 175.544 174.700 -0.003 0.000 0.993 294 T CA -0.688 61.409 62.100 -0.004 0.000 0.966 294 T CB 1.088 69.959 68.868 0.004 0.000 1.047 294 T HN 0.488 nan 8.240 nan 0.000 0.527 295 D N -0.429 119.971 120.400 0.001 0.000 2.224 295 D HA -0.068 4.572 4.640 -0.000 0.000 0.205 295 D C 1.821 178.122 176.300 0.002 0.000 0.965 295 D CA 0.932 54.932 54.000 0.000 0.000 0.852 295 D CB 0.037 40.838 40.800 0.003 0.000 0.947 295 D HN 0.810 nan 8.370 nan 0.000 0.494 296 E N 0.778 120.983 120.200 0.009 0.000 2.072 296 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 296 E C 1.353 177.960 176.600 0.011 0.000 0.985 296 E CA 0.924 57.333 56.400 0.015 0.000 0.801 296 E CB 0.295 30.010 29.700 0.025 0.000 0.750 296 E HN 0.109 nan 8.360 nan 0.000 0.452 297 D N 0.738 121.142 120.400 0.007 0.000 2.084 297 D HA -0.176 4.464 4.640 -0.000 0.000 0.194 297 D C 2.202 178.487 176.300 -0.025 0.000 0.990 297 D CA 0.925 54.925 54.000 0.001 0.000 0.826 297 D CB -0.318 40.483 40.800 0.002 0.000 0.971 297 D HN 0.270 nan 8.370 nan 0.000 0.453 298 L N 1.098 122.307 121.223 -0.023 0.000 2.081 298 L HA -0.203 4.137 4.340 -0.000 0.000 0.212 298 L C 2.335 179.172 176.870 -0.055 0.000 1.080 298 L CA 1.167 55.985 54.840 -0.037 0.000 0.754 298 L CB -0.535 41.511 42.059 -0.022 0.000 0.893 298 L HN 0.059 nan 8.230 nan 0.000 0.433 299 E N 0.216 120.395 120.200 -0.036 0.000 2.171 299 E HA -0.241 4.109 4.350 -0.000 0.000 0.197 299 E C 2.286 178.849 176.600 -0.063 0.000 0.997 299 E CA 1.071 57.451 56.400 -0.033 0.000 0.810 299 E CB -0.187 29.509 29.700 -0.006 0.000 0.738 299 E HN 0.537 nan 8.360 nan 0.000 0.467 300 L N 1.038 122.206 121.223 -0.091 0.000 2.201 300 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 300 L C 1.731 178.412 176.870 -0.314 0.000 1.105 300 L CA 0.607 55.343 54.840 -0.173 0.000 0.775 300 L CB -0.275 41.660 42.059 -0.206 0.000 0.913 300 L HN 0.051 nan 8.230 nan 0.000 0.440 301 D N -0.328 119.918 120.400 -0.257 0.000 2.263 301 D HA -0.120 4.520 4.640 -0.000 0.000 0.208 301 D C 1.669 177.862 176.300 -0.179 0.000 0.971 301 D CA 1.760 55.606 54.000 -0.257 0.000 0.867 301 D CB 0.080 40.779 40.800 -0.168 0.000 0.929 301 D HN 0.412 nan 8.370 nan 0.000 0.492 302 T N -2.512 111.965 114.554 -0.128 0.000 3.288 302 T HA 0.238 4.588 4.350 -0.000 0.000 0.293 302 T C 1.429 176.086 174.700 -0.073 0.000 1.008 302 T CA -0.373 61.678 62.100 -0.083 0.000 0.929 302 T CB -0.177 68.659 68.868 -0.053 0.000 1.152 302 T HN 0.012 nan 8.240 nan 0.000 0.517 303 L N 0.726 121.892 121.223 -0.096 0.000 2.068 303 L HA 0.354 4.694 4.340 -0.000 0.000 0.204 303 L C 0.414 177.187 176.870 -0.161 0.000 1.076 303 L CA 0.543 55.328 54.840 -0.092 0.000 0.753 303 L CB 0.022 42.042 42.059 -0.064 0.000 0.910 303 L HN 0.213 nan 8.230 nan 0.000 0.439 304 I N 1.933 122.406 120.570 -0.162 0.000 2.668 304 I HA 0.049 4.219 4.170 -0.000 0.000 0.285 304 I C -1.818 174.249 176.117 -0.083 0.000 1.168 304 I CA -1.647 59.534 61.300 -0.200 0.000 1.424 304 I CB -0.611 37.362 38.000 -0.045 0.000 1.377 304 I HN 0.086 nan 8.210 nan 0.000 0.560 305 P HA 0.108 nan 4.420 nan 0.000 0.272 305 P C 0.408 177.729 177.300 0.034 0.000 1.230 305 P CA -0.236 62.880 63.100 0.026 0.000 0.788 305 P CB 0.851 32.601 31.700 0.083 0.000 0.949 306 D N -0.794 119.626 120.400 0.034 0.000 2.097 306 D HA -0.076 4.564 4.640 -0.000 0.000 0.197 306 D C 0.807 177.137 176.300 0.049 0.000 0.984 306 D CA 1.226 55.248 54.000 0.035 0.000 0.826 306 D CB -0.384 40.433 40.800 0.029 0.000 0.973 306 D HN 0.258 nan 8.370 nan 0.000 0.460 307 S N 0.946 116.679 115.700 0.055 0.000 2.549 307 S HA 0.069 4.539 4.470 -0.000 0.000 0.283 307 S C -1.591 173.055 174.600 0.077 0.000 1.320 307 S CA -1.184 57.053 58.200 0.061 0.000 1.058 307 S CB 1.182 64.418 63.200 0.059 0.000 0.882 307 S HN -0.037 nan 8.310 nan 0.000 0.498 308 P HA 0.002 nan 4.420 nan 0.000 0.234 308 P C 0.110 177.472 177.300 0.102 0.000 1.167 308 P CA 0.921 64.079 63.100 0.097 0.000 0.763 308 P CB -0.054 31.705 31.700 0.098 0.000 0.835 309 N N -1.528 117.225 118.700 0.088 0.000 2.516 309 N HA 0.003 4.743 4.740 -0.000 0.000 0.197 309 N C 0.694 176.255 175.510 0.086 0.000 1.064 309 N CA -0.337 52.761 53.050 0.080 0.000 0.866 309 N CB -0.026 38.497 38.487 0.060 0.000 1.255 309 N HN -0.063 nan 8.380 nan 0.000 0.447 310 Q N 2.570 122.423 119.800 0.089 0.000 2.478 310 Q HA 0.005 4.345 4.340 -0.000 0.000 0.323 310 Q C -2.280 173.806 176.000 0.143 0.000 1.087 310 Q CA -0.119 55.743 55.803 0.098 0.000 1.056 310 Q CB 0.384 29.177 28.738 0.092 0.000 1.018 310 Q HN 0.169 nan 8.270 nan 0.000 0.387 311 P HA 0.155 nan 4.420 nan 0.000 0.277 311 P C -1.411 176.011 177.300 0.203 0.000 1.276 311 P CA 0.030 63.182 63.100 0.087 0.000 0.788 311 P CB 0.350 32.057 31.700 0.013 0.000 1.114 312 Y N -3.704 116.618 120.300 0.037 0.000 2.522 312 Y HA 0.381 4.931 4.550 -0.000 0.000 0.326 312 Y C -1.473 174.451 175.900 0.040 0.000 1.198 312 Y CA -1.419 56.707 58.100 0.044 0.000 1.112 312 Y CB 0.108 38.599 38.460 0.051 0.000 1.342 312 Y HN 0.099 nan 8.280 nan 0.000 0.460 313 D N 3.749 124.229 120.400 0.133 0.000 2.346 313 D HA 0.040 4.680 4.640 -0.000 0.000 0.260 313 D C 0.880 177.257 176.300 0.130 0.000 1.252 313 D CA 0.058 54.109 54.000 0.085 0.000 0.895 313 D CB 1.354 42.249 40.800 0.157 0.000 1.097 313 D HN 0.824 nan 8.370 nan 0.000 0.489 314 M N 4.025 123.586 119.600 -0.065 0.000 2.346 314 M HA -0.161 4.319 4.480 -0.000 0.000 0.263 314 M C 1.021 177.311 176.300 -0.016 0.000 1.064 314 M CA 1.736 57.020 55.300 -0.027 0.000 1.083 314 M CB -0.457 32.026 32.600 -0.196 0.000 1.399 314 M HN 0.533 nan 8.290 nan 0.000 0.435 315 H N -0.453 118.641 119.070 0.039 0.000 2.489 315 H HA -0.086 4.470 4.556 -0.000 0.000 0.293 315 H C 1.768 177.125 175.328 0.048 0.000 1.066 315 H CA 1.392 57.458 56.048 0.031 0.000 1.305 315 H CB 0.077 29.878 29.762 0.064 0.000 1.386 315 H HN 0.402 nan 8.280 nan 0.000 0.551 316 E N 0.154 120.477 120.200 0.204 0.000 2.150 316 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 316 E C 2.294 178.977 176.600 0.138 0.000 0.985 316 E CA 0.632 57.131 56.400 0.165 0.000 0.814 316 E CB -0.086 29.721 29.700 0.179 0.000 0.752 316 E HN 0.344 nan 8.360 nan 0.000 0.466 317 V N 1.072 121.073 119.914 0.144 0.000 2.535 317 V HA -0.121 3.999 4.120 -0.000 0.000 0.246 317 V C 2.338 178.469 176.094 0.061 0.000 1.045 317 V CA 0.798 63.183 62.300 0.141 0.000 1.058 317 V CB -0.307 31.614 31.823 0.164 0.000 0.689 317 V HN 0.152 nan 8.190 nan 0.000 0.461 318 I N 1.373 121.931 120.570 -0.020 0.000 2.142 318 I HA -0.252 3.918 4.170 -0.000 0.000 0.240 318 I C 2.829 178.898 176.117 -0.080 0.000 1.078 318 I CA 2.152 63.368 61.300 -0.140 0.000 1.343 318 I CB -0.873 36.911 38.000 -0.360 0.000 1.046 318 I HN 0.494 nan 8.210 nan 0.000 0.405 319 T N -0.967 113.587 114.554 -0.001 0.000 2.803 319 T HA -0.188 4.162 4.350 -0.000 0.000 0.269 319 T C 1.950 176.684 174.700 0.056 0.000 1.052 319 T CA 1.038 63.166 62.100 0.048 0.000 1.136 319 T CB -0.437 68.483 68.868 0.088 0.000 0.864 319 T HN 0.315 nan 8.240 nan 0.000 0.467 320 R N 0.331 120.868 120.500 0.061 0.000 2.236 320 R HA 0.276 4.616 4.340 -0.000 0.000 0.208 320 R C 2.245 178.586 176.300 0.069 0.000 1.036 320 R CA 0.618 56.758 56.100 0.067 0.000 1.001 320 R CB -0.269 30.076 30.300 0.075 0.000 0.896 320 R HN 0.432 nan 8.270 nan 0.000 0.464 321 L N 0.242 121.502 121.223 0.062 0.000 2.298 321 L HA 0.132 4.472 4.340 -0.000 0.000 0.209 321 L C 0.832 177.741 176.870 0.066 0.000 1.084 321 L CA 0.173 55.054 54.840 0.070 0.000 0.816 321 L CB 0.052 42.150 42.059 0.065 0.000 0.967 321 L HN 0.045 nan 8.230 nan 0.000 0.460 322 L N 0.150 121.405 121.223 0.054 0.000 2.439 322 L HA 0.094 4.434 4.340 -0.000 0.000 0.261 322 L C 0.333 177.262 176.870 0.099 0.000 1.153 322 L CA -0.523 54.368 54.840 0.085 0.000 0.808 322 L CB 0.470 42.585 42.059 0.093 0.000 1.126 322 L HN 0.008 nan 8.230 nan 0.000 0.460 323 D N 1.306 121.777 120.400 0.119 0.000 2.644 323 D HA -0.012 4.628 4.640 -0.000 0.000 0.252 323 D C -0.637 175.733 176.300 0.117 0.000 1.254 323 D CA 0.403 54.470 54.000 0.112 0.000 0.884 323 D CB -0.639 40.237 40.800 0.127 0.000 1.034 323 D HN 0.382 nan 8.370 nan 0.000 0.473 324 D N 1.319 121.789 120.400 0.116 0.000 4.733 324 D HA -0.186 4.454 4.640 -0.000 0.000 0.239 324 D C -0.111 176.280 176.300 0.150 0.000 1.075 324 D CA 0.982 55.053 54.000 0.118 0.000 1.258 324 D CB -0.381 40.472 40.800 0.089 0.000 0.761 324 D HN 0.307 nan 8.370 nan 0.000 0.378 325 E N 1.291 121.609 120.200 0.195 0.000 3.231 325 E HA 0.097 4.447 4.350 -0.000 0.000 0.243 325 E C -2.232 174.580 176.600 0.353 0.000 1.208 325 E CA -0.335 56.207 56.400 0.237 0.000 0.544 325 E CB -0.626 29.209 29.700 0.225 0.000 0.905 325 E HN 0.216 nan 8.360 nan 0.000 0.535 326 F N 4.826 124.846 119.950 0.117 0.000 2.426 326 F HA 0.637 5.164 4.527 -0.000 0.000 0.348 326 F C -1.114 174.713 175.800 0.044 0.000 1.124 326 F CA -1.535 56.520 58.000 0.091 0.000 1.008 326 F CB 1.046 40.104 39.000 0.096 0.000 1.139 326 F HN 0.411 nan 8.300 nan 0.000 0.452 327 L N 6.582 127.608 121.223 -0.329 0.000 2.353 327 L HA 0.345 4.685 4.340 -0.000 0.000 0.269 327 L C 0.005 176.391 176.870 -0.808 0.000 1.085 327 L CA -0.030 54.527 54.840 -0.471 0.000 0.938 327 L CB -0.054 41.746 42.059 -0.431 0.000 1.312 327 L HN 0.685 nan 8.230 nan 0.000 0.429 328 E N 3.474 123.143 120.200 -0.885 0.000 2.392 328 E HA 0.180 4.530 4.350 -0.000 0.000 0.264 328 E C -0.694 175.757 176.600 -0.248 0.000 1.024 328 E CA -0.354 55.578 56.400 -0.779 0.000 0.903 328 E CB 0.698 30.150 29.700 -0.412 0.000 0.963 328 E HN 0.460 nan 8.360 nan 0.000 0.432 329 I N 4.003 124.439 120.570 -0.223 0.000 2.377 329 I HA 0.051 4.221 4.170 -0.000 0.000 0.293 329 I C 0.193 176.333 176.117 0.039 0.000 0.987 329 I CA -0.146 61.166 61.300 0.020 0.000 1.185 329 I CB 1.351 39.352 38.000 0.002 0.000 1.341 329 I HN 0.845 nan 8.210 nan 0.000 0.455 330 Q N 3.061 122.934 119.800 0.121 0.000 2.435 330 Q HA -0.256 4.084 4.340 -0.000 0.000 0.312 330 Q C 1.292 177.335 176.000 0.072 0.000 1.333 330 Q CA 0.614 56.463 55.803 0.077 0.000 0.883 330 Q CB -1.135 27.645 28.738 0.069 0.000 1.170 330 Q HN 0.874 nan 8.270 nan 0.000 0.443 331 A N 0.080 122.937 122.820 0.062 0.000 1.948 331 A HA -0.099 4.221 4.320 -0.000 0.000 0.220 331 A C 1.850 179.448 177.584 0.023 0.000 1.177 331 A CA 1.722 53.787 52.037 0.048 0.000 0.636 331 A CB -0.273 18.764 19.000 0.061 0.000 0.815 331 A HN 0.688 nan 8.150 nan 0.000 0.449 332 G N -2.697 106.116 108.800 0.022 0.000 3.496 332 G HA2 0.379 4.339 3.960 -0.000 0.000 0.273 332 G HA3 0.379 4.339 3.960 -0.000 0.000 0.273 332 G C -0.341 174.580 174.900 0.035 0.000 1.279 332 G CA -0.029 45.068 45.100 -0.005 0.000 1.041 332 G HN 0.365 nan 8.290 nan 0.000 0.539 333 Y N -0.099 120.134 120.300 -0.112 0.000 2.457 333 Y HA 0.469 5.019 4.550 -0.000 0.000 0.343 333 Y C 0.240 176.078 175.900 -0.104 0.000 0.994 333 Y CA -1.081 56.953 58.100 -0.108 0.000 1.031 333 Y CB 2.026 40.431 38.460 -0.092 0.000 1.246 333 Y HN 0.454 nan 8.280 nan 0.000 0.449 334 A N 5.110 127.550 122.820 -0.633 0.000 2.415 334 A HA -0.267 4.053 4.320 -0.000 0.000 0.292 334 A C 1.248 178.658 177.584 -0.290 0.000 1.452 334 A CA 1.233 52.989 52.037 -0.468 0.000 0.750 334 A CB -1.381 17.318 19.000 -0.501 0.000 1.099 334 A HN 0.853 nan 8.150 nan 0.000 0.391 335 Q N 0.668 120.222 119.800 -0.411 0.000 2.325 335 Q HA -0.249 4.091 4.340 -0.000 0.000 0.211 335 Q C 1.666 177.505 176.000 -0.269 0.000 0.988 335 Q CA 1.598 57.152 55.803 -0.416 0.000 0.887 335 Q CB -0.441 27.843 28.738 -0.756 0.000 0.915 335 Q HN 1.163 nan 8.270 nan 0.000 0.440 336 N N 0.460 119.076 118.700 -0.140 0.000 2.575 336 N HA -0.054 4.686 4.740 -0.000 0.000 0.192 336 N C 0.471 175.957 175.510 -0.041 0.000 1.200 336 N CA 0.340 53.401 53.050 0.018 0.000 0.897 336 N CB 0.204 38.808 38.487 0.196 0.000 0.990 336 N HN 0.289 nan 8.380 nan 0.000 0.449 337 I N -0.235 120.286 120.570 -0.082 0.000 2.710 337 I HA 0.244 4.414 4.170 -0.000 0.000 0.290 337 I C -1.674 174.385 176.117 -0.096 0.000 1.318 337 I CA -0.813 60.435 61.300 -0.088 0.000 1.045 337 I CB 2.243 40.205 38.000 -0.063 0.000 1.307 337 I HN -0.308 nan 8.210 nan 0.000 0.424 338 V N 7.342 127.188 119.914 -0.113 0.000 2.435 338 V HA 0.665 4.785 4.120 -0.000 0.000 0.290 338 V C -0.409 175.629 176.094 -0.093 0.000 1.030 338 V CA -0.558 61.691 62.300 -0.084 0.000 0.881 338 V CB 1.606 33.351 31.823 -0.130 0.000 0.983 338 V HN 0.518 nan 8.190 nan 0.000 0.445 339 V N 1.529 121.342 119.914 -0.167 0.000 2.841 339 V HA 1.140 5.260 4.120 -0.000 0.000 0.310 339 V C -0.075 175.658 176.094 -0.602 0.000 1.090 339 V CA 0.024 62.017 62.300 -0.512 0.000 0.930 339 V CB 1.431 32.706 31.823 -0.913 0.000 1.014 339 V HN 1.275 nan 8.190 nan 0.000 0.425 340 G N 1.817 110.206 108.800 -0.685 0.000 2.342 340 G HA2 0.591 4.551 3.960 -0.000 0.000 0.297 340 G HA3 0.591 4.551 3.960 -0.000 0.000 0.297 340 G C -2.088 172.716 174.900 -0.160 0.000 1.313 340 G CA -0.731 44.011 45.100 -0.597 0.000 0.830 340 G HN 0.690 nan 8.290 nan 0.000 0.506 341 F N 0.011 119.920 119.950 -0.067 0.000 2.458 341 F HA 0.870 5.397 4.527 -0.000 0.000 0.330 341 F C 0.953 176.702 175.800 -0.085 0.000 1.082 341 F CA 0.335 58.225 58.000 -0.183 0.000 0.995 341 F CB 2.316 40.794 39.000 -0.870 0.000 1.170 341 F HN 0.877 nan 8.300 nan 0.000 0.478 342 G N 1.283 110.315 108.800 0.387 0.000 2.548 342 G HA2 0.678 4.638 3.960 -0.000 0.000 0.301 342 G HA3 0.678 4.638 3.960 -0.000 0.000 0.301 342 G C -1.804 173.405 174.900 0.515 0.000 1.349 342 G CA -1.096 44.325 45.100 0.535 0.000 0.792 342 G HN 0.484 nan 8.290 nan 0.000 0.481 343 R N -0.942 119.765 120.500 0.345 0.000 2.744 343 R HA 0.656 4.996 4.340 -0.000 0.000 0.279 343 R C -1.279 175.114 176.300 0.155 0.000 0.977 343 R CA -0.779 55.446 56.100 0.209 0.000 0.906 343 R CB 2.624 32.993 30.300 0.115 0.000 1.197 343 R HN 0.367 nan 8.270 nan 0.000 0.463 344 I N 2.007 122.650 120.570 0.122 0.000 2.468 344 I HA 0.109 4.279 4.170 -0.000 0.000 0.284 344 I C -0.606 175.562 176.117 0.084 0.000 1.038 344 I CA -0.285 61.076 61.300 0.102 0.000 1.083 344 I CB 1.800 39.860 38.000 0.101 0.000 1.223 344 I HN 0.711 nan 8.210 nan 0.000 0.443 345 D N 5.266 125.714 120.400 0.079 0.000 2.746 345 D HA -0.178 4.462 4.640 -0.000 0.000 0.236 345 D C 1.085 177.426 176.300 0.068 0.000 1.129 345 D CA 1.664 55.703 54.000 0.067 0.000 0.691 345 D CB -0.728 40.105 40.800 0.055 0.000 1.077 345 D HN 1.114 nan 8.370 nan 0.000 0.432 346 G N -0.432 108.420 108.800 0.085 0.000 2.184 346 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.264 346 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.264 346 G C 0.406 175.305 174.900 -0.001 0.000 0.975 346 G CA 0.583 45.732 45.100 0.083 0.000 0.642 346 G HN 0.611 nan 8.290 nan 0.000 0.536 347 R N 0.817 121.330 120.500 0.021 0.000 2.346 347 R HA 0.487 4.827 4.340 -0.000 0.000 0.311 347 R C -2.733 173.592 176.300 0.041 0.000 0.983 347 R CA -1.961 54.146 56.100 0.011 0.000 0.880 347 R CB 1.366 31.690 30.300 0.040 0.000 1.100 347 R HN 0.083 nan 8.270 nan 0.000 0.453 348 P HA 0.044 nan 4.420 nan 0.000 0.276 348 P C -0.926 176.497 177.300 0.206 0.000 1.230 348 P CA -0.323 62.868 63.100 0.152 0.000 0.776 348 P CB 0.994 32.750 31.700 0.094 0.000 0.888 349 V N 0.119 120.213 119.914 0.301 0.000 3.049 349 V HA 0.888 5.008 4.120 -0.000 0.000 0.309 349 V C -0.066 176.263 176.094 0.391 0.000 1.148 349 V CA -1.139 61.328 62.300 0.279 0.000 0.990 349 V CB 1.859 33.803 31.823 0.202 0.000 1.039 349 V HN 0.572 nan 8.190 nan 0.000 0.430 350 G N 3.309 112.320 108.800 0.352 0.000 2.319 350 G HA2 0.617 4.577 3.960 -0.000 0.000 0.308 350 G HA3 0.617 4.577 3.960 -0.000 0.000 0.308 350 G C -0.596 174.534 174.900 0.384 0.000 1.117 350 G CA -0.491 44.869 45.100 0.435 0.000 0.903 350 G HN 0.562 nan 8.290 nan 0.000 0.436 351 I N 2.749 123.527 120.570 0.346 0.000 2.331 351 I HA 0.277 4.447 4.170 -0.000 0.000 0.292 351 I C -0.237 175.931 176.117 0.084 0.000 0.998 351 I CA -0.805 60.587 61.300 0.153 0.000 1.267 351 I CB 1.573 39.584 38.000 0.019 0.000 1.386 351 I HN 0.077 nan 8.210 nan 0.000 0.476 352 V N 6.255 126.208 119.914 0.065 0.000 2.454 352 V HA 0.570 4.690 4.120 -0.000 0.000 0.267 352 V C 0.184 176.255 176.094 -0.038 0.000 0.993 352 V CA -0.483 61.832 62.300 0.025 0.000 0.836 352 V CB 1.215 33.116 31.823 0.131 0.000 1.055 352 V HN 0.861 nan 8.190 nan 0.000 0.452 353 A N 3.550 126.316 122.820 -0.091 0.000 2.354 353 A HA 0.822 5.142 4.320 -0.000 0.000 0.321 353 A C -0.247 177.255 177.584 -0.137 0.000 1.125 353 A CA -0.784 51.177 52.037 -0.126 0.000 0.799 353 A CB 1.077 19.982 19.000 -0.159 0.000 1.293 353 A HN 0.711 nan 8.150 nan 0.000 0.452 354 N N 0.426 119.039 118.700 -0.145 0.000 2.530 354 N HA 0.433 5.173 4.740 -0.000 0.000 0.277 354 N C -0.502 174.904 175.510 -0.173 0.000 1.168 354 N CA -0.217 52.748 53.050 -0.142 0.000 0.979 354 N CB 0.782 39.187 38.487 -0.137 0.000 1.141 354 N HN 0.610 nan 8.380 nan 0.000 0.459 355 Q N 2.247 121.956 119.800 -0.152 0.000 2.431 355 Q HA 0.352 4.692 4.340 -0.000 0.000 0.249 355 Q C -2.303 173.601 176.000 -0.160 0.000 1.025 355 Q CA -2.079 53.618 55.803 -0.177 0.000 0.835 355 Q CB 1.558 30.214 28.738 -0.137 0.000 1.207 355 Q HN 0.340 nan 8.270 nan 0.000 0.490 356 P HA -0.127 nan 4.420 nan 0.000 0.218 356 P C 0.498 177.718 177.300 -0.134 0.000 1.149 356 P CA 1.342 64.302 63.100 -0.233 0.000 0.817 356 P CB 0.169 31.593 31.700 -0.460 0.000 0.785 357 T N -4.551 109.926 114.554 -0.127 0.000 3.496 357 T HA -0.055 4.295 4.350 -0.000 0.000 0.253 357 T C 0.031 174.746 174.700 0.024 0.000 1.134 357 T CA 0.242 62.316 62.100 -0.043 0.000 0.993 357 T CB -1.256 67.597 68.868 -0.025 0.000 1.018 357 T HN 0.146 nan 8.240 nan 0.000 0.571 358 H N -0.975 118.017 119.070 -0.131 0.000 3.188 358 H HA 0.298 4.854 4.556 -0.000 0.000 0.325 358 H C -0.353 174.920 175.328 -0.091 0.000 1.033 358 H CA -1.667 54.253 56.048 -0.214 0.000 1.443 358 H CB 0.062 29.615 29.762 -0.349 0.000 1.968 358 H HN 0.150 nan 8.280 nan 0.000 0.449 359 F N 3.354 123.058 119.950 -0.411 0.000 3.034 359 F HA -0.328 4.199 4.527 -0.000 0.000 0.286 359 F C 1.355 177.068 175.800 -0.145 0.000 0.804 359 F CA 0.456 58.288 58.000 -0.280 0.000 1.161 359 F CB -1.505 37.344 39.000 -0.251 0.000 1.317 359 F HN 0.886 nan 8.300 nan 0.000 0.453 360 A N -1.032 121.820 122.820 0.052 0.000 2.861 360 A HA 0.004 4.324 4.320 -0.000 0.000 0.261 360 A C 1.728 179.310 177.584 -0.004 0.000 1.351 360 A CA 1.761 53.806 52.037 0.015 0.000 0.904 360 A CB -1.989 17.023 19.000 0.021 0.000 1.076 360 A HN 2.403 nan 8.150 nan 0.000 0.729 361 G N -3.365 105.437 108.800 0.003 0.000 2.136 361 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.242 361 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.242 361 G C 0.859 175.742 174.900 -0.028 0.000 0.989 361 G CA 0.655 45.735 45.100 -0.034 0.000 0.682 361 G HN 1.632 nan 8.290 nan 0.000 0.522 362 C N -0.749 118.562 119.300 0.019 0.000 2.876 362 C HA 0.566 5.026 4.460 -0.000 0.000 0.284 362 C C 1.218 176.157 174.990 -0.084 0.000 1.458 362 C CA 0.131 59.120 59.018 -0.048 0.000 2.113 362 C CB 0.075 27.788 27.740 -0.046 0.000 2.154 362 C HN 0.499 nan 8.230 nan 0.000 0.694 363 L N 1.433 122.540 121.223 -0.193 0.000 2.415 363 L HA 0.340 4.680 4.340 -0.000 0.000 0.268 363 L C -0.659 176.197 176.870 -0.023 0.000 0.984 363 L CA -0.270 54.446 54.840 -0.207 0.000 0.853 363 L CB 1.006 42.705 42.059 -0.599 0.000 1.215 363 L HN 0.784 nan 8.230 nan 0.000 0.419 364 D N 2.066 122.498 120.400 0.055 0.000 2.567 364 D HA 0.348 4.988 4.640 -0.000 0.000 0.275 364 D C 1.163 177.525 176.300 0.102 0.000 1.195 364 D CA -0.597 53.448 54.000 0.075 0.000 1.087 364 D CB 1.036 41.869 40.800 0.054 0.000 1.165 364 D HN 0.239 nan 8.370 nan 0.000 0.609 365 I N -0.408 120.209 120.570 0.078 0.000 2.133 365 I HA -0.219 3.951 4.170 -0.000 0.000 0.238 365 I C 1.926 178.091 176.117 0.080 0.000 1.074 365 I CA 0.880 62.230 61.300 0.082 0.000 1.342 365 I CB -0.491 37.548 38.000 0.065 0.000 1.053 365 I HN 0.305 nan 8.210 nan 0.000 0.404 366 N N 1.462 120.191 118.700 0.047 0.000 2.036 366 N HA -0.218 4.522 4.740 -0.000 0.000 0.195 366 N C 1.934 177.448 175.510 0.006 0.000 1.037 366 N CA 1.891 54.947 53.050 0.010 0.000 0.855 366 N CB -0.572 37.751 38.487 -0.273 0.000 1.033 366 N HN 0.381 nan 8.380 nan 0.000 0.423 367 A N 0.975 123.774 122.820 -0.034 0.000 1.917 367 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 367 A C 2.591 180.205 177.584 0.050 0.000 1.182 367 A CA 2.040 54.072 52.037 -0.008 0.000 0.633 367 A CB -0.798 18.203 19.000 0.002 0.000 0.819 367 A HN 0.310 nan 8.150 nan 0.000 0.448 368 S N -0.521 115.223 115.700 0.074 0.000 2.356 368 S HA -0.175 4.295 4.470 -0.000 0.000 0.223 368 S C 1.888 176.559 174.600 0.117 0.000 1.032 368 S CA 1.576 59.836 58.200 0.100 0.000 1.005 368 S CB -0.322 62.959 63.200 0.134 0.000 0.867 368 S HN 0.715 nan 8.310 nan 0.000 0.449 369 E N 0.937 121.213 120.200 0.127 0.000 2.077 369 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 369 E C 2.158 178.853 176.600 0.157 0.000 0.989 369 E CA 0.924 57.406 56.400 0.136 0.000 0.800 369 E CB -0.101 29.686 29.700 0.144 0.000 0.746 369 E HN 0.401 nan 8.360 nan 0.000 0.452 370 K N 0.781 121.297 120.400 0.194 0.000 2.032 370 K HA -0.187 4.133 4.320 -0.000 0.000 0.209 370 K C 2.090 178.796 176.600 0.176 0.000 1.048 370 K CA 1.470 57.878 56.287 0.202 0.000 0.927 370 K CB -0.128 32.511 32.500 0.232 0.000 0.712 370 K HN 0.086 nan 8.250 nan 0.000 0.441 371 A N 0.826 123.734 122.820 0.148 0.000 1.929 371 A HA 0.024 4.344 4.320 -0.000 0.000 0.216 371 A C 2.318 180.032 177.584 0.217 0.000 1.176 371 A CA 1.509 53.653 52.037 0.179 0.000 0.628 371 A CB -0.713 18.357 19.000 0.117 0.000 0.816 371 A HN 0.498 nan 8.150 nan 0.000 0.444 372 A N 0.161 123.084 122.820 0.171 0.000 1.865 372 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 372 A C 2.205 179.882 177.584 0.155 0.000 1.191 372 A CA 2.289 54.423 52.037 0.162 0.000 0.623 372 A CB -0.487 18.596 19.000 0.138 0.000 0.826 372 A HN 0.467 nan 8.150 nan 0.000 0.444 373 R N -1.224 119.367 120.500 0.151 0.000 2.081 373 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 373 R C 1.808 178.196 176.300 0.148 0.000 1.131 373 R CA 1.850 58.026 56.100 0.127 0.000 0.960 373 R CB -0.873 29.497 30.300 0.117 0.000 0.856 373 R HN 0.503 nan 8.270 nan 0.000 0.436 374 F N -0.009 119.981 119.950 0.066 0.000 2.069 374 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 374 F C 1.916 177.763 175.800 0.078 0.000 1.113 374 F CA 1.769 59.806 58.000 0.062 0.000 1.214 374 F CB -0.699 38.323 39.000 0.038 0.000 0.978 374 F HN -0.131 nan 8.300 nan 0.000 0.474 375 V N 0.918 120.888 119.914 0.093 0.000 2.252 375 V HA -0.377 3.743 4.120 -0.000 0.000 0.249 375 V C 2.609 178.657 176.094 -0.078 0.000 1.056 375 V CA 2.530 64.823 62.300 -0.011 0.000 1.022 375 V CB -0.741 31.160 31.823 0.129 0.000 0.641 375 V HN 0.298 nan 8.190 nan 0.000 0.445 376 R N -0.676 119.818 120.500 -0.010 0.000 2.127 376 R HA -0.158 4.182 4.340 -0.000 0.000 0.238 376 R C 2.365 178.621 176.300 -0.073 0.000 1.134 376 R CA 1.963 58.048 56.100 -0.026 0.000 0.975 376 R CB -0.477 29.838 30.300 0.025 0.000 0.865 376 R HN 0.594 nan 8.270 nan 0.000 0.447 377 T N -0.372 114.141 114.554 -0.068 0.000 2.737 377 T HA -0.156 4.194 4.350 -0.000 0.000 0.265 377 T C 1.992 176.722 174.700 0.050 0.000 1.038 377 T CA 1.303 63.404 62.100 0.002 0.000 1.144 377 T CB -0.327 68.573 68.868 0.054 0.000 0.866 377 T HN 0.366 nan 8.240 nan 0.000 0.434 378 C N 1.457 120.705 119.300 -0.087 0.000 2.413 378 C HA -0.116 4.344 4.460 -0.000 0.000 0.276 378 C C 2.643 177.630 174.990 -0.005 0.000 1.248 378 C CA 0.721 59.737 59.018 -0.004 0.000 1.742 378 C CB -1.092 26.548 27.740 -0.168 0.000 2.017 378 C HN 0.637 nan 8.230 nan 0.000 0.481 379 D N -0.498 119.852 120.400 -0.084 0.000 2.144 379 D HA -0.133 4.507 4.640 -0.000 0.000 0.199 379 D C 2.024 178.229 176.300 -0.158 0.000 0.984 379 D CA 1.245 55.183 54.000 -0.103 0.000 0.834 379 D CB -0.251 40.479 40.800 -0.117 0.000 0.955 379 D HN 0.461 nan 8.370 nan 0.000 0.465 380 C N -0.570 118.566 119.300 -0.274 0.000 2.411 380 C HA -0.094 4.366 4.460 -0.000 0.000 0.279 380 C C 1.419 175.973 174.990 -0.728 0.000 1.288 380 C CA 0.533 59.208 59.018 -0.573 0.000 1.764 380 C CB -1.237 25.965 27.740 -0.896 0.000 1.974 380 C HN 0.317 nan 8.230 nan 0.000 0.498 381 F N 0.999 120.953 119.950 0.006 0.000 2.908 381 F HA 0.275 4.802 4.527 -0.000 0.000 0.328 381 F C 0.679 176.476 175.800 -0.005 0.000 1.211 381 F CA -0.323 57.679 58.000 0.004 0.000 1.291 381 F CB -0.676 38.331 39.000 0.011 0.000 0.962 381 F HN 0.124 nan 8.300 nan 0.000 0.505 382 N N 0.677 119.418 118.700 0.070 0.000 2.693 382 N HA -0.190 4.550 4.740 -0.000 0.000 0.249 382 N C -0.557 174.992 175.510 0.065 0.000 1.119 382 N CA 0.580 53.659 53.050 0.047 0.000 0.717 382 N CB -1.206 37.309 38.487 0.046 0.000 1.071 382 N HN 0.221 nan 8.380 nan 0.000 0.555 383 I N 0.827 121.453 120.570 0.092 0.000 2.325 383 I HA 0.263 4.433 4.170 -0.000 0.000 0.291 383 I C -1.836 174.333 176.117 0.087 0.000 1.019 383 I CA -2.308 59.061 61.300 0.116 0.000 1.302 383 I CB 0.353 38.475 38.000 0.203 0.000 1.401 383 I HN -0.275 nan 8.210 nan 0.000 0.485 384 P HA 0.174 nan 4.420 nan 0.000 0.266 384 P C -0.382 176.974 177.300 0.093 0.000 1.195 384 P CA 0.173 63.315 63.100 0.070 0.000 0.768 384 P CB 0.586 32.333 31.700 0.079 0.000 0.838 385 I N 2.612 123.220 120.570 0.063 0.000 2.339 385 I HA 0.259 4.429 4.170 -0.000 0.000 0.290 385 I C -0.359 175.832 176.117 0.125 0.000 0.994 385 I CA -0.773 60.588 61.300 0.101 0.000 1.191 385 I CB 1.448 39.479 38.000 0.052 0.000 1.343 385 I HN -0.045 nan 8.210 nan 0.000 0.458 386 V N 7.501 127.501 119.914 0.143 0.000 2.384 386 V HA 0.443 4.563 4.120 -0.000 0.000 0.287 386 V C -0.002 176.144 176.094 0.087 0.000 1.020 386 V CA -0.422 61.943 62.300 0.109 0.000 0.850 386 V CB 1.779 33.660 31.823 0.095 0.000 0.987 386 V HN 0.674 nan 8.190 nan 0.000 0.436 387 M N 5.728 125.361 119.600 0.054 0.000 2.181 387 M HA 0.526 5.006 4.480 -0.000 0.000 0.323 387 M C -0.959 175.295 176.300 -0.076 0.000 1.004 387 M CA -0.437 54.864 55.300 0.002 0.000 0.941 387 M CB 1.749 34.349 32.600 0.001 0.000 1.579 387 M HN 0.433 nan 8.290 nan 0.000 0.427 388 L N 5.020 126.179 121.223 -0.107 0.000 2.352 388 L HA 0.365 4.705 4.340 -0.000 0.000 0.272 388 L C -0.502 176.256 176.870 -0.187 0.000 1.109 388 L CA -0.714 54.021 54.840 -0.175 0.000 0.952 388 L CB 0.196 42.154 42.059 -0.169 0.000 1.314 388 L HN 0.393 nan 8.230 nan 0.000 0.427 389 V N 2.194 121.985 119.914 -0.205 0.000 2.614 389 V HA 0.195 4.315 4.120 -0.000 0.000 0.291 389 V C 0.125 176.110 176.094 -0.181 0.000 1.049 389 V CA 0.191 62.380 62.300 -0.184 0.000 1.038 389 V CB 1.462 33.179 31.823 -0.178 0.000 0.980 389 V HN 0.675 nan 8.190 nan 0.000 0.481 390 D N 3.330 123.642 120.400 -0.147 0.000 3.491 390 D HA 0.094 4.734 4.640 -0.000 0.000 0.240 390 D C -1.452 174.791 176.300 -0.095 0.000 1.487 390 D CA -0.080 53.852 54.000 -0.112 0.000 0.936 390 D CB 0.949 41.704 40.800 -0.075 0.000 1.451 390 D HN 0.334 nan 8.370 nan 0.000 0.678 391 V N 3.448 123.304 119.914 -0.095 0.000 2.531 391 V HA 0.595 4.715 4.120 -0.000 0.000 0.301 391 V C -1.795 174.309 176.094 0.018 0.000 1.034 391 V CA -1.961 60.295 62.300 -0.073 0.000 0.865 391 V CB 2.478 34.216 31.823 -0.142 0.000 0.995 391 V HN 0.090 nan 8.190 nan 0.000 0.424 392 P HA 0.240 nan 4.420 nan 0.000 0.225 392 P C 0.612 178.032 177.300 0.199 0.000 1.156 392 P CA 1.631 64.897 63.100 0.276 0.000 0.787 392 P CB 0.659 32.447 31.700 0.148 0.000 0.802 393 G N -0.978 107.840 108.800 0.031 0.000 2.441 393 G HA2 0.212 4.172 3.960 -0.000 0.000 0.222 393 G HA3 0.212 4.172 3.960 -0.000 0.000 0.222 393 G C -1.773 173.019 174.900 -0.180 0.000 1.254 393 G CA -0.793 44.309 45.100 0.004 0.000 0.959 393 G HN -0.022 nan 8.290 nan 0.000 0.474 394 F N 0.311 120.249 119.950 -0.021 0.000 2.450 394 F HA 0.645 5.172 4.527 -0.000 0.000 0.332 394 F C 0.592 176.337 175.800 -0.090 0.000 1.093 394 F CA -0.695 57.277 58.000 -0.048 0.000 1.003 394 F CB 1.841 40.812 39.000 -0.047 0.000 1.151 394 F HN 0.356 nan 8.300 nan 0.000 0.474 395 L N 6.052 127.284 121.223 0.016 0.000 2.700 395 L HA 0.146 4.486 4.340 -0.000 0.000 0.272 395 L C -2.290 174.515 176.870 -0.108 0.000 1.176 395 L CA -1.109 53.645 54.840 -0.144 0.000 0.961 395 L CB -0.614 41.255 42.059 -0.317 0.000 1.249 395 L HN 0.305 nan 8.230 nan 0.000 0.487 396 P HA 0.530 nan 4.420 nan 0.000 0.271 396 P C -0.535 176.682 177.300 -0.138 0.000 1.216 396 P CA -0.249 62.791 63.100 -0.100 0.000 0.776 396 P CB 1.106 32.757 31.700 -0.083 0.000 0.881 397 G N 0.211 108.926 108.800 -0.143 0.000 2.308 397 G HA2 0.212 4.172 3.960 -0.000 0.000 0.288 397 G HA3 0.212 4.172 3.960 -0.000 0.000 0.288 397 G C 0.596 175.354 174.900 -0.237 0.000 1.722 397 G CA -0.059 44.941 45.100 -0.166 0.000 0.924 397 G HN 0.481 nan 8.290 nan 0.000 0.732 398 T N -1.598 112.784 114.554 -0.287 0.000 2.788 398 T HA -0.089 4.261 4.350 -0.000 0.000 0.268 398 T C 1.487 175.733 174.700 -0.756 0.000 1.044 398 T CA 2.215 63.965 62.100 -0.582 0.000 1.139 398 T CB -0.119 68.476 68.868 -0.455 0.000 0.867 398 T HN 0.337 nan 8.240 nan 0.000 0.454 399 D N 0.938 121.151 120.400 -0.312 0.000 2.144 399 D HA -0.094 4.546 4.640 -0.000 0.000 0.199 399 D C 2.473 178.709 176.300 -0.106 0.000 0.984 399 D CA 0.930 54.863 54.000 -0.113 0.000 0.834 399 D CB -0.157 40.630 40.800 -0.022 0.000 0.955 399 D HN 0.418 nan 8.370 nan 0.000 0.465 400 Q N 0.551 120.262 119.800 -0.149 0.000 2.050 400 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 400 Q C 2.080 178.021 176.000 -0.099 0.000 0.980 400 Q CA 0.920 56.664 55.803 -0.098 0.000 0.840 400 Q CB -0.186 28.490 28.738 -0.104 0.000 0.898 400 Q HN 0.373 nan 8.270 nan 0.000 0.424 401 E N 0.074 120.154 120.200 -0.199 0.000 2.023 401 E HA -0.169 4.181 4.350 -0.000 0.000 0.196 401 E C 2.079 178.699 176.600 0.034 0.000 1.003 401 E CA 1.039 57.354 56.400 -0.143 0.000 0.809 401 E CB -0.452 29.098 29.700 -0.251 0.000 0.755 401 E HN 0.395 nan 8.360 nan 0.000 0.449 402 Y N 0.913 121.200 120.300 -0.021 0.000 2.139 402 Y HA -0.183 4.367 4.550 -0.000 0.000 0.282 402 Y C 1.920 177.814 175.900 -0.010 0.000 1.179 402 Y CA 1.102 59.193 58.100 -0.015 0.000 1.161 402 Y CB -1.179 37.274 38.460 -0.013 0.000 0.970 402 Y HN 0.169 nan 8.280 nan 0.000 0.511 403 N N -0.898 117.895 118.700 0.154 0.000 2.461 403 N HA 0.210 4.950 4.740 -0.000 0.000 0.188 403 N C 0.641 176.186 175.510 0.060 0.000 1.134 403 N CA 0.489 53.593 53.050 0.090 0.000 0.878 403 N CB 0.090 38.618 38.487 0.068 0.000 0.972 403 N HN 0.377 nan 8.380 nan 0.000 0.456 404 G N 1.369 110.202 108.800 0.054 0.000 2.452 404 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.275 404 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.275 404 G C 0.609 175.516 174.900 0.012 0.000 1.131 404 G CA -0.218 44.899 45.100 0.029 0.000 1.031 404 G HN 0.287 nan 8.290 nan 0.000 0.511 405 I N -0.070 120.494 120.570 -0.010 0.000 2.394 405 I HA 0.014 4.184 4.170 -0.000 0.000 0.251 405 I C 2.351 178.433 176.117 -0.059 0.000 1.136 405 I CA 1.363 62.649 61.300 -0.024 0.000 1.425 405 I CB -0.168 37.798 38.000 -0.057 0.000 1.079 405 I HN 0.536 nan 8.210 nan 0.000 0.425 406 I N -0.008 120.517 120.570 -0.075 0.000 2.233 406 I HA -0.227 3.943 4.170 -0.000 0.000 0.243 406 I C 2.680 178.773 176.117 -0.040 0.000 1.093 406 I CA 1.248 62.494 61.300 -0.090 0.000 1.380 406 I CB -0.498 37.454 38.000 -0.079 0.000 1.067 406 I HN 0.186 nan 8.210 nan 0.000 0.413 407 R N 1.300 121.789 120.500 -0.019 0.000 2.080 407 R HA -0.144 4.196 4.340 -0.000 0.000 0.236 407 R C 2.468 178.772 176.300 0.007 0.000 1.137 407 R CA 1.613 57.709 56.100 -0.005 0.000 0.943 407 R CB -0.086 30.213 30.300 -0.001 0.000 0.846 407 R HN 0.249 nan 8.270 nan 0.000 0.431 408 R N -0.812 119.699 120.500 0.019 0.000 2.119 408 R HA 0.026 4.366 4.340 -0.000 0.000 0.222 408 R C 2.320 178.658 176.300 0.064 0.000 1.088 408 R CA 1.001 57.125 56.100 0.040 0.000 0.984 408 R CB -0.231 30.099 30.300 0.050 0.000 0.884 408 R HN 0.400 nan 8.270 nan 0.000 0.447 409 G N 1.252 110.090 108.800 0.063 0.000 2.422 409 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 409 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 409 G C 1.566 176.532 174.900 0.110 0.000 1.140 409 G CA 0.651 45.821 45.100 0.117 0.000 0.775 409 G HN 0.361 nan 8.290 nan 0.000 0.545 410 A N 0.875 123.733 122.820 0.063 0.000 2.076 410 A HA -0.031 4.289 4.320 -0.000 0.000 0.220 410 A C 2.248 179.904 177.584 0.120 0.000 1.160 410 A CA 1.911 53.994 52.037 0.077 0.000 0.653 410 A CB -0.322 18.707 19.000 0.049 0.000 0.801 410 A HN 0.424 nan 8.150 nan 0.000 0.455 411 K N -0.512 119.950 120.400 0.104 0.000 2.063 411 K HA -0.072 4.248 4.320 -0.000 0.000 0.208 411 K C 1.845 178.550 176.600 0.174 0.000 1.048 411 K CA 1.377 57.737 56.287 0.123 0.000 0.928 411 K CB -0.355 32.194 32.500 0.081 0.000 0.713 411 K HN 0.494 nan 8.250 nan 0.000 0.442 412 L N 1.069 122.383 121.223 0.153 0.000 2.131 412 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 412 L C 2.149 179.115 176.870 0.160 0.000 1.092 412 L CA 0.958 55.891 54.840 0.154 0.000 0.759 412 L CB -0.072 42.061 42.059 0.123 0.000 0.903 412 L HN 0.267 nan 8.230 nan 0.000 0.435 413 L N -1.746 119.566 121.223 0.148 0.000 2.056 413 L HA -0.286 4.054 4.340 -0.000 0.000 0.207 413 L C 2.456 179.417 176.870 0.151 0.000 1.078 413 L CA 1.408 56.322 54.840 0.124 0.000 0.749 413 L CB -0.534 41.586 42.059 0.100 0.000 0.901 413 L HN 0.263 nan 8.230 nan 0.000 0.433 414 Y N 0.403 120.742 120.300 0.066 0.000 2.114 414 Y HA -0.326 4.224 4.550 -0.000 0.000 0.284 414 Y C 2.515 178.450 175.900 0.058 0.000 1.143 414 Y CA 1.663 59.796 58.100 0.054 0.000 1.135 414 Y CB -0.298 38.186 38.460 0.040 0.000 0.980 414 Y HN 0.147 nan 8.280 nan 0.000 0.499 415 A N -0.618 122.357 122.820 0.258 0.000 1.892 415 A HA -0.304 4.016 4.320 -0.000 0.000 0.218 415 A C 2.154 179.771 177.584 0.055 0.000 1.188 415 A CA 2.039 54.170 52.037 0.157 0.000 0.631 415 A CB -1.621 17.483 19.000 0.173 0.000 0.822 415 A HN 0.721 nan 8.150 nan 0.000 0.447 416 Y N 0.390 120.685 120.300 -0.008 0.000 2.263 416 Y HA 0.040 4.590 4.550 -0.000 0.000 0.292 416 Y C 2.461 178.315 175.900 -0.077 0.000 1.130 416 Y CA 1.365 59.444 58.100 -0.035 0.000 1.179 416 Y CB -0.496 37.947 38.460 -0.028 0.000 0.998 416 Y HN 0.257 nan 8.280 nan 0.000 0.532 417 G N -0.875 107.960 108.800 0.058 0.000 2.572 417 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.216 417 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.216 417 G C 1.479 176.273 174.900 -0.177 0.000 1.133 417 G CA 0.629 45.703 45.100 -0.043 0.000 0.791 417 G HN 0.481 nan 8.290 nan 0.000 0.538 418 E N 0.277 120.329 120.200 -0.246 0.000 2.190 418 E HA 0.268 4.618 4.350 -0.000 0.000 0.191 418 E C 1.547 178.035 176.600 -0.186 0.000 0.978 418 E CA 0.041 56.280 56.400 -0.269 0.000 0.839 418 E CB 0.014 29.505 29.700 -0.347 0.000 0.787 418 E HN 0.274 nan 8.360 nan 0.000 0.473 419 A N 0.990 123.690 122.820 -0.201 0.000 2.546 419 A HA 0.014 4.334 4.320 -0.000 0.000 0.243 419 A C 1.002 178.472 177.584 -0.191 0.000 1.063 419 A CA 0.856 52.771 52.037 -0.204 0.000 0.757 419 A CB 0.188 19.020 19.000 -0.280 0.000 0.991 419 A HN 0.371 nan 8.150 nan 0.000 0.503 420 T N -0.220 114.251 114.554 -0.138 0.000 3.010 420 T HA 0.277 4.627 4.350 -0.000 0.000 0.257 420 T C 0.630 175.276 174.700 -0.089 0.000 1.020 420 T CA 0.500 62.537 62.100 -0.106 0.000 0.938 420 T CB -1.158 67.664 68.868 -0.077 0.000 1.049 420 T HN 1.260 nan 8.240 nan 0.000 0.522 421 V N -0.244 119.614 119.914 -0.094 0.000 3.096 421 V HA 0.427 4.547 4.120 -0.000 0.000 0.306 421 V C -2.699 173.357 176.094 -0.062 0.000 1.088 421 V CA -2.329 59.934 62.300 -0.061 0.000 1.129 421 V CB -0.361 31.433 31.823 -0.048 0.000 1.014 421 V HN -0.006 nan 8.190 nan 0.000 0.486 422 P HA 0.182 nan 4.420 nan 0.000 0.264 422 P C -0.801 176.491 177.300 -0.012 0.000 1.183 422 P CA 0.484 63.580 63.100 -0.006 0.000 0.763 422 P CB 0.156 31.868 31.700 0.020 0.000 0.807 423 K N 3.347 123.745 120.400 -0.005 0.000 2.426 423 K HA 0.576 4.896 4.320 -0.000 0.000 0.254 423 K C -0.660 175.988 176.600 0.081 0.000 0.936 423 K CA -0.475 55.822 56.287 0.016 0.000 0.801 423 K CB 1.606 34.065 32.500 -0.068 0.000 1.139 423 K HN 0.373 nan 8.250 nan 0.000 0.424 424 I N 1.856 122.487 120.570 0.101 0.000 2.466 424 I HA 0.300 4.470 4.170 -0.000 0.000 0.289 424 I C -0.611 175.556 176.117 0.082 0.000 1.026 424 I CA -0.648 60.708 61.300 0.094 0.000 1.078 424 I CB 2.413 40.469 38.000 0.094 0.000 1.249 424 I HN 0.447 nan 8.210 nan 0.000 0.429 425 T N 5.322 119.904 114.554 0.047 0.000 2.812 425 T HA 0.499 4.849 4.350 -0.000 0.000 0.282 425 T C -0.515 174.148 174.700 -0.061 0.000 0.990 425 T CA -0.482 61.612 62.100 -0.010 0.000 0.960 425 T CB 1.978 70.819 68.868 -0.045 0.000 0.948 425 T HN 0.176 nan 8.240 nan 0.000 0.438 426 V N 4.954 124.800 119.914 -0.114 0.000 2.350 426 V HA 0.430 4.550 4.120 -0.000 0.000 0.285 426 V C 0.009 175.912 176.094 -0.318 0.000 1.014 426 V CA -0.800 61.380 62.300 -0.200 0.000 0.831 426 V CB 1.108 32.806 31.823 -0.208 0.000 1.000 426 V HN 0.829 nan 8.190 nan 0.000 0.433 427 I N 4.938 125.335 120.570 -0.288 0.000 2.379 427 I HA 0.149 4.319 4.170 -0.000 0.000 0.290 427 I C 1.610 177.446 176.117 -0.468 0.000 1.063 427 I CA 0.145 61.270 61.300 -0.291 0.000 1.351 427 I CB 1.586 39.490 38.000 -0.159 0.000 1.410 427 I HN 0.815 nan 8.210 nan 0.000 0.505 428 T N 2.901 117.119 114.554 -0.561 0.000 3.040 428 T HA 0.159 4.509 4.350 -0.000 0.000 0.252 428 T C 1.200 175.792 174.700 -0.180 0.000 1.064 428 T CA 0.223 61.903 62.100 -0.700 0.000 1.110 428 T CB 0.521 68.808 68.868 -0.968 0.000 0.921 428 T HN 0.639 nan 8.240 nan 0.000 0.480 429 R N 0.258 120.680 120.500 -0.130 0.000 2.969 429 R HA 0.403 4.743 4.340 -0.000 0.000 0.094 429 R C -0.898 175.333 176.300 -0.116 0.000 0.687 429 R CA -0.634 55.440 56.100 -0.044 0.000 0.508 429 R CB 0.362 30.700 30.300 0.063 0.000 0.445 429 R HN -0.015 nan 8.270 nan 0.000 0.332 430 K N 0.538 120.870 120.400 -0.113 0.000 2.319 430 K HA 0.443 4.763 4.320 -0.000 0.000 0.265 430 K C -1.097 175.320 176.600 -0.305 0.000 1.000 430 K CA 0.536 56.661 56.287 -0.269 0.000 0.943 430 K CB 1.395 33.836 32.500 -0.099 0.000 0.950 430 K HN 0.490 nan 8.250 nan 0.000 0.485 431 A N 3.179 125.679 122.820 -0.534 0.000 2.664 431 A HA 0.309 4.629 4.320 -0.000 0.000 0.300 431 A C -1.870 175.538 177.584 -0.294 0.000 1.210 431 A CA -0.753 51.132 52.037 -0.252 0.000 0.863 431 A CB 0.043 19.002 19.000 -0.069 0.000 1.464 431 A HN 0.565 nan 8.150 nan 0.000 0.438 432 Y N 0.798 121.131 120.300 0.054 0.000 2.468 432 Y HA 0.642 5.192 4.550 -0.000 0.000 0.342 432 Y C 1.416 177.367 175.900 0.086 0.000 1.021 432 Y CA 0.362 58.491 58.100 0.049 0.000 1.079 432 Y CB 1.682 40.159 38.460 0.029 0.000 1.226 432 Y HN 1.387 nan 8.280 nan 0.000 0.460 433 G N 1.554 110.504 108.800 0.250 0.000 2.661 433 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.327 433 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.327 433 G C 1.448 176.478 174.900 0.216 0.000 1.320 433 G CA 0.750 45.960 45.100 0.184 0.000 0.997 433 G HN 1.254 nan 8.290 nan 0.000 0.543 434 G N -0.084 108.844 108.800 0.213 0.000 2.469 434 G HA2 0.110 4.070 3.960 -0.000 0.000 0.219 434 G HA3 0.110 4.070 3.960 -0.000 0.000 0.219 434 G C 2.213 177.282 174.900 0.283 0.000 1.150 434 G CA 3.219 48.470 45.100 0.251 0.000 0.763 434 G HN 1.849 nan 8.290 nan 0.000 0.561 435 A N 0.284 123.260 122.820 0.260 0.000 1.892 435 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 435 A C 2.224 179.787 177.584 -0.035 0.000 1.188 435 A CA 1.947 53.970 52.037 -0.023 0.000 0.631 435 A CB -0.814 18.119 19.000 -0.113 0.000 0.822 435 A HN 0.627 nan 8.150 nan 0.000 0.447 436 Y N 0.208 120.479 120.300 -0.047 0.000 2.207 436 Y HA -0.288 4.262 4.550 -0.000 0.000 0.287 436 Y C 2.429 178.261 175.900 -0.113 0.000 1.156 436 Y CA 1.514 59.558 58.100 -0.094 0.000 1.182 436 Y CB -0.825 37.591 38.460 -0.074 0.000 0.979 436 Y HN 0.372 nan 8.280 nan 0.000 0.521 437 C N -1.099 118.043 119.300 -0.263 0.000 2.446 437 C HA -0.122 4.338 4.460 -0.000 0.000 0.277 437 C C 2.902 177.687 174.990 -0.342 0.000 1.275 437 C CA 1.094 59.899 59.018 -0.356 0.000 1.727 437 C CB -1.249 26.443 27.740 -0.081 0.000 2.010 437 C HN 0.565 nan 8.230 nan 0.000 0.486 438 V N 0.880 120.676 119.914 -0.196 0.000 2.548 438 V HA 0.009 4.129 4.120 -0.000 0.000 0.249 438 V C 1.247 177.137 176.094 -0.339 0.000 1.055 438 V CA 1.469 63.661 62.300 -0.181 0.000 1.065 438 V CB -0.336 31.480 31.823 -0.012 0.000 0.681 438 V HN 0.477 nan 8.190 nan 0.000 0.462 439 M N 1.358 120.742 119.600 -0.360 0.000 3.596 439 M HA 0.311 4.791 4.480 -0.000 0.000 0.219 439 M C 1.176 177.163 176.300 -0.521 0.000 1.471 439 M CA 0.639 55.711 55.300 -0.380 0.000 1.644 439 M CB -1.260 31.179 32.600 -0.268 0.000 1.083 439 M HN 0.478 nan 8.290 nan 0.000 0.579 440 G N 2.024 110.307 108.800 -0.861 0.000 2.338 440 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.296 440 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.296 440 G C 0.346 174.910 174.900 -0.560 0.000 1.040 440 G CA 0.552 45.060 45.100 -0.985 0.000 1.004 440 G HN 0.777 nan 8.290 nan 0.000 0.509 441 S N -0.976 114.341 115.700 -0.637 0.000 2.576 441 S HA 0.464 4.934 4.470 -0.000 0.000 0.276 441 S C 1.623 176.065 174.600 -0.263 0.000 1.339 441 S CA 0.518 58.342 58.200 -0.626 0.000 1.039 441 S CB 1.802 64.438 63.200 -0.940 0.000 0.902 441 S HN 0.743 nan 8.310 nan 0.000 0.516 442 K N 1.806 122.130 120.400 -0.127 0.000 2.034 442 K HA -0.227 4.093 4.320 -0.000 0.000 0.214 442 K C 1.139 177.726 176.600 -0.022 0.000 1.051 442 K CA 2.459 58.741 56.287 -0.007 0.000 0.931 442 K CB -0.796 31.756 32.500 0.088 0.000 0.715 442 K HN 0.764 nan 8.250 nan 0.000 0.446 443 D N -0.453 119.889 120.400 -0.097 0.000 2.392 443 D HA -0.094 4.546 4.640 -0.000 0.000 0.228 443 D C 1.102 177.373 176.300 -0.047 0.000 1.003 443 D CA 0.524 54.483 54.000 -0.069 0.000 0.917 443 D CB 0.144 40.872 40.800 -0.120 0.000 0.890 443 D HN 0.270 nan 8.370 nan 0.000 0.532 444 M N -0.913 118.659 119.600 -0.047 0.000 2.495 444 M HA 0.128 4.608 4.480 -0.000 0.000 0.237 444 M C 1.236 177.614 176.300 0.130 0.000 1.131 444 M CA 0.282 55.592 55.300 0.018 0.000 1.032 444 M CB 0.400 32.970 32.600 -0.050 0.000 1.513 444 M HN 0.145 nan 8.290 nan 0.000 0.488 445 G N -0.222 108.642 108.800 0.106 0.000 2.183 445 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.168 445 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.168 445 G C 0.106 175.066 174.900 0.099 0.000 1.008 445 G CA -0.124 45.022 45.100 0.076 0.000 0.677 445 G HN 0.443 nan 8.290 nan 0.000 0.498 446 C N 1.510 120.924 119.300 0.190 0.000 2.632 446 C HA 0.507 4.967 4.460 -0.000 0.000 0.415 446 C C 1.755 176.800 174.990 0.093 0.000 1.332 446 C CA 0.356 59.483 59.018 0.182 0.000 1.874 446 C CB -0.017 27.836 27.740 0.187 0.000 2.596 446 C HN 0.482 nan 8.230 nan 0.000 0.590 447 D N 2.498 122.941 120.400 0.072 0.000 2.137 447 D HA 0.029 4.669 4.640 -0.000 0.000 0.202 447 D C 0.189 176.535 176.300 0.076 0.000 0.970 447 D CA 1.401 55.437 54.000 0.061 0.000 0.837 447 D CB 0.180 41.008 40.800 0.046 0.000 0.981 447 D HN 0.421 nan 8.370 nan 0.000 0.475 448 V N 1.551 121.516 119.914 0.084 0.000 2.525 448 V HA 0.276 4.396 4.120 -0.000 0.000 0.299 448 V C -0.985 175.148 176.094 0.064 0.000 1.034 448 V CA -0.881 61.472 62.300 0.089 0.000 0.863 448 V CB 1.730 33.624 31.823 0.119 0.000 0.999 448 V HN -0.061 nan 8.190 nan 0.000 0.423 449 N N 4.901 123.630 118.700 0.048 0.000 2.407 449 N HA 0.765 5.505 4.740 -0.000 0.000 0.277 449 N C -1.075 174.420 175.510 -0.025 0.000 0.995 449 N CA -0.465 52.596 53.050 0.019 0.000 0.903 449 N CB 1.877 40.393 38.487 0.048 0.000 1.218 449 N HN 0.548 nan 8.380 nan 0.000 0.487 450 L N 1.015 122.196 121.223 -0.070 0.000 2.303 450 L HA 0.970 5.310 4.340 -0.000 0.000 0.266 450 L C -0.382 176.435 176.870 -0.090 0.000 1.011 450 L CA -1.198 53.567 54.840 -0.125 0.000 0.818 450 L CB 1.813 43.755 42.059 -0.195 0.000 1.326 450 L HN 0.525 nan 8.230 nan 0.000 0.435 451 A N 0.337 123.123 122.820 -0.057 0.000 2.517 451 A HA 0.642 4.962 4.320 -0.000 0.000 0.297 451 A C -1.799 175.854 177.584 0.115 0.000 1.050 451 A CA -0.531 51.480 52.037 -0.043 0.000 0.694 451 A CB 0.952 19.896 19.000 -0.093 0.000 1.277 451 A HN 0.511 nan 8.150 nan 0.000 0.400 452 W N 1.749 122.966 121.300 -0.138 0.000 2.141 452 W HA 0.462 5.122 4.660 -0.000 0.000 0.354 452 W C -1.930 174.502 176.519 -0.145 0.000 1.297 452 W CA -1.775 55.493 57.345 -0.128 0.000 1.380 452 W CB -0.232 29.169 29.460 -0.099 0.000 1.168 452 W HN 0.490 nan 8.180 nan 0.000 0.639 453 P HA -0.142 nan 4.420 nan 0.000 0.221 453 P C 1.169 178.489 177.300 0.033 0.000 1.145 453 P CA 2.265 65.374 63.100 0.016 0.000 0.795 453 P CB 0.033 31.741 31.700 0.014 0.000 0.775 454 T N -4.250 110.357 114.554 0.089 0.000 3.144 454 T HA 0.418 4.768 4.350 -0.000 0.000 0.249 454 T C 0.846 175.563 174.700 0.028 0.000 1.089 454 T CA -0.313 61.830 62.100 0.073 0.000 0.989 454 T CB -0.498 68.435 68.868 0.108 0.000 0.992 454 T HN 0.000 nan 8.240 nan 0.000 0.540 455 A N 1.691 124.504 122.820 -0.012 0.000 2.445 455 A HA 0.472 4.792 4.320 -0.000 0.000 0.242 455 A C 0.136 177.656 177.584 -0.106 0.000 1.075 455 A CA -0.429 51.558 52.037 -0.083 0.000 0.777 455 A CB 0.183 19.115 19.000 -0.114 0.000 1.013 455 A HN 0.590 nan 8.150 nan 0.000 0.493 456 Q N 1.669 121.373 119.800 -0.159 0.000 2.533 456 Q HA 0.410 4.750 4.340 -0.000 0.000 0.251 456 Q C -1.492 174.311 176.000 -0.328 0.000 0.966 456 Q CA 0.070 55.765 55.803 -0.180 0.000 0.714 456 Q CB 1.485 30.143 28.738 -0.134 0.000 1.284 456 Q HN 0.696 nan 8.270 nan 0.000 0.478 457 I N 1.931 122.363 120.570 -0.230 0.000 2.330 457 I HA 0.745 4.915 4.170 -0.000 0.000 0.286 457 I C -0.187 175.831 176.117 -0.165 0.000 1.025 457 I CA -0.499 60.641 61.300 -0.267 0.000 1.197 457 I CB 1.079 38.909 38.000 -0.284 0.000 1.358 457 I HN 0.536 nan 8.210 nan 0.000 0.467 458 A N 4.765 127.550 122.820 -0.058 0.000 2.609 458 A HA 0.543 4.863 4.320 -0.000 0.000 0.291 458 A C 0.502 178.195 177.584 0.183 0.000 1.096 458 A CA -0.514 51.594 52.037 0.119 0.000 0.684 458 A CB 1.291 20.472 19.000 0.301 0.000 1.282 458 A HN 0.332 nan 8.150 nan 0.000 0.412 459 V N 0.442 120.430 119.914 0.124 0.000 2.469 459 V HA -0.084 4.036 4.120 -0.000 0.000 0.251 459 V C 0.961 177.110 176.094 0.092 0.000 1.064 459 V CA 2.735 65.082 62.300 0.080 0.000 1.066 459 V CB -1.359 30.474 31.823 0.016 0.000 0.667 459 V HN 0.943 nan 8.190 nan 0.000 0.461 460 M N -2.944 116.715 119.600 0.098 0.000 3.012 460 M HA 0.593 5.073 4.480 -0.000 0.000 0.272 460 M C -0.146 176.006 176.300 -0.246 0.000 1.187 460 M CA -0.394 54.847 55.300 -0.098 0.000 0.813 460 M CB 1.229 33.733 32.600 -0.159 0.000 1.626 460 M HN -0.022 nan 8.290 nan 0.000 0.507 461 G N 0.347 108.802 108.800 -0.574 0.000 2.484 461 G HA2 0.403 4.363 3.960 -0.000 0.000 0.235 461 G HA3 0.403 4.363 3.960 -0.000 0.000 0.235 461 G C 0.798 175.609 174.900 -0.148 0.000 1.282 461 G CA 0.064 44.893 45.100 -0.453 0.000 0.857 461 G HN 1.079 nan 8.290 nan 0.000 0.571 462 A N 1.682 124.504 122.820 0.003 0.000 1.883 462 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 462 A C 2.748 180.281 177.584 -0.085 0.000 1.186 462 A CA 2.612 54.660 52.037 0.019 0.000 0.624 462 A CB -0.857 18.284 19.000 0.234 0.000 0.822 462 A HN 1.255 nan 8.150 nan 0.000 0.444 463 S N -0.431 115.249 115.700 -0.033 0.000 2.387 463 S HA -0.073 4.397 4.470 -0.000 0.000 0.230 463 S C 1.901 176.478 174.600 -0.038 0.000 1.035 463 S CA 1.434 59.619 58.200 -0.025 0.000 1.014 463 S CB -1.024 62.166 63.200 -0.017 0.000 0.836 463 S HN 0.748 nan 8.310 nan 0.000 0.466 464 G N 0.876 109.644 108.800 -0.052 0.000 2.492 464 G HA2 0.356 4.316 3.960 -0.000 0.000 0.214 464 G HA3 0.356 4.316 3.960 -0.000 0.000 0.214 464 G C 1.562 176.511 174.900 0.082 0.000 1.147 464 G CA 0.440 45.552 45.100 0.020 0.000 0.809 464 G HN 0.678 nan 8.290 nan 0.000 0.533 465 A N 1.178 123.933 122.820 -0.109 0.000 1.877 465 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 465 A C 2.679 180.131 177.584 -0.219 0.000 1.186 465 A CA 2.480 54.375 52.037 -0.237 0.000 0.620 465 A CB -1.012 17.586 19.000 -0.670 0.000 0.822 465 A HN 0.877 nan 8.150 nan 0.000 0.443 466 V N -1.478 118.268 119.914 -0.280 0.000 2.660 466 V HA -0.146 3.974 4.120 -0.000 0.000 0.257 466 V C 2.251 178.331 176.094 -0.023 0.000 1.088 466 V CA 2.012 64.244 62.300 -0.113 0.000 1.106 466 V CB -1.935 29.945 31.823 0.096 0.000 0.686 466 V HN 0.438 nan 8.190 nan 0.000 0.481 467 G N -0.168 108.615 108.800 -0.029 0.000 2.418 467 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.217 467 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.217 467 G C 1.244 175.990 174.900 -0.258 0.000 1.158 467 G CA 1.233 46.233 45.100 -0.165 0.000 0.771 467 G HN 0.584 nan 8.290 nan 0.000 0.545 468 F N 0.151 120.026 119.950 -0.125 0.000 2.317 468 F HA 0.164 4.691 4.527 -0.000 0.000 0.293 468 F C 2.674 178.388 175.800 -0.144 0.000 1.085 468 F CA 0.023 57.956 58.000 -0.111 0.000 1.390 468 F CB -0.673 38.264 39.000 -0.105 0.000 1.077 468 F HN -0.058 nan 8.300 nan 0.000 0.517 469 V N -0.935 118.948 119.914 -0.052 0.000 2.223 469 V HA -0.280 3.840 4.120 -0.000 0.000 0.244 469 V C 0.817 176.742 176.094 -0.283 0.000 1.045 469 V CA 1.527 63.658 62.300 -0.283 0.000 1.000 469 V CB -0.840 30.591 31.823 -0.653 0.000 0.635 469 V HN 0.254 nan 8.190 nan 0.000 0.445 470 Y N 0.486 120.802 120.300 0.026 0.000 2.903 470 Y HA 0.366 4.916 4.550 -0.000 0.000 0.387 470 Y C 1.572 177.465 175.900 -0.012 0.000 1.189 470 Y CA -0.705 57.403 58.100 0.014 0.000 1.856 470 Y CB -0.691 37.777 38.460 0.013 0.000 1.917 470 Y HN 0.045 nan 8.280 nan 0.000 0.448 471 R N 0.587 121.126 120.500 0.064 0.000 2.092 471 R HA -0.123 4.217 4.340 -0.000 0.000 0.231 471 R C 1.762 178.079 176.300 0.028 0.000 1.119 471 R CA 1.547 57.653 56.100 0.011 0.000 0.970 471 R CB 0.066 30.357 30.300 -0.015 0.000 0.864 471 R HN 0.342 nan 8.270 nan 0.000 0.440 472 Q N 0.318 120.151 119.800 0.056 0.000 1.994 472 Q HA -0.112 4.228 4.340 -0.000 0.000 0.198 472 Q C 2.089 178.116 176.000 0.044 0.000 0.976 472 Q CA 1.605 57.435 55.803 0.045 0.000 0.828 472 Q CB -0.429 28.340 28.738 0.052 0.000 0.894 472 Q HN 0.521 nan 8.270 nan 0.000 0.432 473 Q N 0.330 120.171 119.800 0.070 0.000 2.112 473 Q HA -0.120 4.220 4.340 -0.000 0.000 0.206 473 Q C 2.172 178.184 176.000 0.020 0.000 0.987 473 Q CA 1.063 56.888 55.803 0.037 0.000 0.858 473 Q CB -0.192 28.558 28.738 0.020 0.000 0.905 473 Q HN 0.333 nan 8.270 nan 0.000 0.420 474 L N -0.284 120.959 121.223 0.033 0.000 2.465 474 L HA -0.059 4.281 4.340 -0.000 0.000 0.224 474 L C 2.203 179.070 176.870 -0.004 0.000 1.145 474 L CA 0.337 55.182 54.840 0.009 0.000 0.834 474 L CB -0.361 41.704 42.059 0.010 0.000 0.944 474 L HN 0.180 nan 8.230 nan 0.000 0.451 475 A N -0.091 122.730 122.820 0.001 0.000 1.871 475 A HA -0.088 4.232 4.320 -0.000 0.000 0.211 475 A C 2.121 179.702 177.584 -0.005 0.000 1.207 475 A CA 0.739 52.772 52.037 -0.007 0.000 0.620 475 A CB -0.165 18.832 19.000 -0.004 0.000 0.860 475 A HN 0.213 nan 8.150 nan 0.000 0.450 476 E N 0.396 120.596 120.200 0.000 0.000 2.077 476 E HA -0.015 4.335 4.350 -0.000 0.000 0.193 476 E C 2.010 178.607 176.600 -0.005 0.000 0.989 476 E CA 1.327 57.727 56.400 -0.001 0.000 0.800 476 E CB -0.448 29.253 29.700 0.002 0.000 0.746 476 E HN 0.532 nan 8.360 nan 0.000 0.452 477 A N 0.332 123.148 122.820 -0.007 0.000 2.216 477 A HA 0.081 4.401 4.320 -0.000 0.000 0.214 477 A C 1.997 179.574 177.584 -0.011 0.000 1.160 477 A CA 1.155 53.186 52.037 -0.010 0.000 0.725 477 A CB -0.443 18.549 19.000 -0.014 0.000 0.784 477 A HN 0.207 nan 8.150 nan 0.000 0.472 478 A N -1.552 121.261 122.820 -0.011 0.000 2.259 478 A HA 0.524 4.844 4.320 -0.000 0.000 0.208 478 A C 1.531 179.109 177.584 -0.011 0.000 1.201 478 A CA 1.147 53.177 52.037 -0.013 0.000 0.824 478 A CB -0.327 18.663 19.000 -0.015 0.000 0.838 478 A HN 1.125 nan 8.150 nan 0.000 0.485 479 A N -1.569 121.245 122.820 -0.009 0.000 2.644 479 A HA 0.314 4.634 4.320 -0.000 0.000 0.193 479 A C 1.009 178.588 177.584 -0.007 0.000 1.464 479 A CA 0.525 52.557 52.037 -0.008 0.000 1.095 479 A CB 0.270 19.266 19.000 -0.007 0.000 1.405 479 A HN 0.415 nan 8.150 nan 0.000 0.558 480 N N 0.210 118.906 118.700 -0.008 0.000 2.690 480 N HA 0.322 5.062 4.740 -0.000 0.000 0.187 480 N C 1.195 176.700 175.510 -0.009 0.000 1.295 480 N CA 0.609 53.654 53.050 -0.007 0.000 1.100 480 N CB -0.535 37.948 38.487 -0.007 0.000 1.336 480 N HN 0.166 nan 8.380 nan 0.000 0.458 481 G N 0.998 109.792 108.800 -0.010 0.000 2.924 481 G HA2 0.046 4.006 3.960 -0.000 0.000 0.273 481 G HA3 0.046 4.006 3.960 -0.000 0.000 0.273 481 G C -0.545 174.348 174.900 -0.012 0.000 0.734 481 G CA -0.000 45.093 45.100 -0.011 0.000 2.065 481 G HN 0.144 nan 8.290 nan 0.000 0.580 482 E N 1.060 121.253 120.200 -0.011 0.000 2.463 482 E HA 0.167 4.517 4.350 -0.000 0.000 0.248 482 E C 0.206 176.800 176.600 -0.011 0.000 1.106 482 E CA 0.428 56.822 56.400 -0.011 0.000 0.946 482 E CB 0.510 30.204 29.700 -0.009 0.000 0.971 482 E HN 0.436 nan 8.360 nan 0.000 0.478 483 D N 3.785 124.178 120.400 -0.012 0.000 3.964 483 D HA 0.019 4.659 4.640 -0.000 0.000 0.269 483 D C -0.874 175.419 176.300 -0.013 0.000 1.500 483 D CA -0.257 53.736 54.000 -0.012 0.000 0.770 483 D CB -0.512 40.281 40.800 -0.012 0.000 1.356 483 D HN 0.330 nan 8.370 nan 0.000 0.755 484 I N -0.389 120.174 120.570 -0.013 0.000 2.577 484 I HA 0.437 4.607 4.170 -0.000 0.000 0.300 484 I C 0.144 176.254 176.117 -0.011 0.000 0.990 484 I CA -0.694 60.598 61.300 -0.013 0.000 1.283 484 I CB 1.169 39.160 38.000 -0.015 0.000 1.411 484 I HN -0.136 nan 8.210 nan 0.000 0.515 485 D N 2.654 123.048 120.400 -0.009 0.000 2.889 485 D HA 0.033 4.673 4.640 -0.000 0.000 0.243 485 D C 1.005 177.301 176.300 -0.007 0.000 1.270 485 D CA -0.429 53.566 54.000 -0.008 0.000 0.838 485 D CB 0.381 41.177 40.800 -0.006 0.000 1.040 485 D HN 0.440 nan 8.370 nan 0.000 0.480 486 K N 0.406 120.801 120.400 -0.009 0.000 2.147 486 K HA -0.115 4.205 4.320 -0.000 0.000 0.205 486 K C 1.423 178.015 176.600 -0.013 0.000 1.049 486 K CA 0.741 57.023 56.287 -0.009 0.000 0.936 486 K CB 0.048 32.543 32.500 -0.009 0.000 0.722 486 K HN 0.354 nan 8.250 nan 0.000 0.446 487 L N 0.417 121.628 121.223 -0.019 0.000 2.416 487 L HA 0.059 4.399 4.340 -0.000 0.000 0.216 487 L C 2.157 179.008 176.870 -0.031 0.000 1.098 487 L CA 0.770 55.590 54.840 -0.033 0.000 0.840 487 L CB -0.134 41.901 42.059 -0.040 0.000 0.981 487 L HN -0.057 nan 8.230 nan 0.000 0.462 488 R N -0.295 120.196 120.500 -0.014 0.000 2.081 488 R HA -0.067 4.273 4.340 -0.000 0.000 0.235 488 R C 2.025 178.333 176.300 0.014 0.000 1.131 488 R CA 1.502 57.603 56.100 0.002 0.000 0.960 488 R CB -0.719 29.581 30.300 -0.000 0.000 0.856 488 R HN 0.340 nan 8.270 nan 0.000 0.436 489 L N 0.505 121.733 121.223 0.008 0.000 2.395 489 L HA -0.010 4.330 4.340 -0.000 0.000 0.218 489 L C 2.530 179.413 176.870 0.022 0.000 1.130 489 L CA 1.075 55.926 54.840 0.018 0.000 0.826 489 L CB -0.375 41.692 42.059 0.013 0.000 0.941 489 L HN 0.033 nan 8.230 nan 0.000 0.451 490 R N -0.244 120.258 120.500 0.003 0.000 2.066 490 R HA 0.004 4.344 4.340 -0.000 0.000 0.224 490 R C 2.155 178.452 176.300 -0.005 0.000 1.122 490 R CA 1.157 57.254 56.100 -0.004 0.000 0.974 490 R CB -0.359 29.925 30.300 -0.027 0.000 0.871 490 R HN 0.296 nan 8.270 nan 0.000 0.435 491 L N 1.085 122.284 121.223 -0.041 0.000 2.131 491 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 491 L C 2.831 179.796 176.870 0.158 0.000 1.092 491 L CA 1.451 56.248 54.840 -0.070 0.000 0.759 491 L CB -0.411 41.494 42.059 -0.256 0.000 0.903 491 L HN 0.363 nan 8.230 nan 0.000 0.435 492 Q N -0.123 119.758 119.800 0.134 0.000 2.079 492 Q HA -0.258 4.082 4.340 -0.000 0.000 0.200 492 Q C 2.284 178.391 176.000 0.180 0.000 0.974 492 Q CA 1.390 57.291 55.803 0.163 0.000 0.840 492 Q CB -0.129 28.663 28.738 0.091 0.000 0.898 492 Q HN 0.415 nan 8.270 nan 0.000 0.430 493 Q N 0.639 120.510 119.800 0.118 0.000 2.170 493 Q HA -0.210 4.130 4.340 -0.000 0.000 0.203 493 Q C 1.419 177.488 176.000 0.117 0.000 0.976 493 Q CA 1.798 57.662 55.803 0.102 0.000 0.858 493 Q CB 0.043 28.818 28.738 0.062 0.000 0.907 493 Q HN 0.578 nan 8.270 nan 0.000 0.433 494 E N -0.809 119.466 120.200 0.126 0.000 2.072 494 E HA -0.172 4.178 4.350 -0.000 0.000 0.190 494 E C 1.850 178.555 176.600 0.175 0.000 0.982 494 E CA 0.945 57.417 56.400 0.121 0.000 0.803 494 E CB -0.263 29.493 29.700 0.093 0.000 0.755 494 E HN 0.373 nan 8.360 nan 0.000 0.453 495 Y N 2.002 122.390 120.300 0.148 0.000 2.181 495 Y HA -0.245 4.305 4.550 -0.000 0.000 0.288 495 Y C 2.330 178.293 175.900 0.105 0.000 1.146 495 Y CA 1.990 60.181 58.100 0.151 0.000 1.164 495 Y CB 0.058 38.627 38.460 0.183 0.000 0.982 495 Y HN -0.044 nan 8.280 nan 0.000 0.515 496 E N 0.098 120.473 120.200 0.292 0.000 2.153 496 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 496 E C 1.112 177.769 176.600 0.094 0.000 0.988 496 E CA 1.812 58.331 56.400 0.198 0.000 0.811 496 E CB -0.212 29.597 29.700 0.181 0.000 0.746 496 E HN 0.475 nan 8.360 nan 0.000 0.466 497 D N -1.358 119.085 120.400 0.072 0.000 2.349 497 D HA 0.030 4.670 4.640 -0.000 0.000 0.214 497 D C 0.992 177.297 176.300 0.009 0.000 1.063 497 D CA 1.042 55.069 54.000 0.044 0.000 0.847 497 D CB 0.689 41.516 40.800 0.045 0.000 0.933 497 D HN 0.362 nan 8.370 nan 0.000 0.513 498 T N -2.927 111.606 114.554 -0.035 0.000 2.989 498 T HA 0.108 4.458 4.350 -0.000 0.000 0.250 498 T C 1.494 176.119 174.700 -0.124 0.000 0.981 498 T CA -0.132 61.926 62.100 -0.069 0.000 0.980 498 T CB 0.405 69.233 68.868 -0.067 0.000 1.133 498 T HN -0.089 nan 8.240 nan 0.000 0.489 499 L N 0.947 122.023 121.223 -0.245 0.000 2.624 499 L HA 0.453 4.793 4.340 -0.000 0.000 0.222 499 L C 0.807 177.597 176.870 -0.133 0.000 1.046 499 L CA 0.443 55.121 54.840 -0.270 0.000 0.872 499 L CB -0.391 41.313 42.059 -0.592 0.000 1.190 499 L HN 0.126 nan 8.230 nan 0.000 0.487 500 V N 4.079 123.947 119.914 -0.076 0.000 2.266 500 V HA 0.152 4.272 4.120 -0.000 0.000 0.240 500 V C -0.195 175.919 176.094 0.034 0.000 1.225 500 V CA 0.006 62.336 62.300 0.049 0.000 1.237 500 V CB -1.734 30.189 31.823 0.166 0.000 1.343 500 V HN 0.714 nan 8.190 nan 0.000 0.496 501 N N 3.378 122.078 118.700 -0.001 0.000 3.348 501 N HA 0.413 5.153 4.740 -0.000 0.000 0.233 501 N C -2.778 172.675 175.510 -0.096 0.000 1.440 501 N CA -1.330 51.715 53.050 -0.009 0.000 0.887 501 N CB 1.436 40.003 38.487 0.134 0.000 1.410 501 N HN -0.047 nan 8.380 nan 0.000 0.502 502 P HA 0.073 nan 4.420 nan 0.000 0.235 502 P C 0.552 177.679 177.300 -0.287 0.000 1.177 502 P CA 0.881 63.803 63.100 -0.296 0.000 0.785 502 P CB -0.039 31.436 31.700 -0.375 0.000 0.885 503 Y N -0.175 120.102 120.300 -0.038 0.000 2.181 503 Y HA -0.155 4.395 4.550 -0.000 0.000 0.288 503 Y C 2.516 178.381 175.900 -0.059 0.000 1.146 503 Y CA 0.671 58.746 58.100 -0.041 0.000 1.164 503 Y CB -1.398 37.039 38.460 -0.038 0.000 0.982 503 Y HN -0.264 nan 8.280 nan 0.000 0.515 504 V N -0.098 119.858 119.914 0.071 0.000 2.332 504 V HA -0.356 3.764 4.120 -0.000 0.000 0.248 504 V C 2.422 178.477 176.094 -0.065 0.000 1.055 504 V CA 1.892 64.187 62.300 -0.009 0.000 1.038 504 V CB -1.169 30.632 31.823 -0.036 0.000 0.651 504 V HN 0.498 nan 8.190 nan 0.000 0.450 505 A N -0.518 122.260 122.820 -0.071 0.000 2.016 505 A HA 0.104 4.424 4.320 -0.000 0.000 0.217 505 A C 2.382 179.922 177.584 -0.073 0.000 1.162 505 A CA 1.500 53.495 52.037 -0.072 0.000 0.662 505 A CB -0.529 18.447 19.000 -0.039 0.000 0.812 505 A HN 0.533 nan 8.150 nan 0.000 0.450 506 A N 0.482 123.273 122.820 -0.049 0.000 1.877 506 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 506 A C 1.881 179.443 177.584 -0.037 0.000 1.186 506 A CA 1.644 53.666 52.037 -0.024 0.000 0.620 506 A CB -0.580 18.420 19.000 0.001 0.000 0.822 506 A HN 0.623 nan 8.150 nan 0.000 0.443 507 E N -0.689 119.486 120.200 -0.042 0.000 2.118 507 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 507 E C 2.089 178.612 176.600 -0.129 0.000 0.992 507 E CA 0.803 57.168 56.400 -0.058 0.000 0.804 507 E CB -0.190 29.484 29.700 -0.045 0.000 0.741 507 E HN 0.306 nan 8.360 nan 0.000 0.458 508 R N -0.426 119.926 120.500 -0.248 0.000 2.237 508 R HA -0.045 4.295 4.340 -0.000 0.000 0.219 508 R C 1.478 177.539 176.300 -0.397 0.000 1.080 508 R CA 0.963 56.791 56.100 -0.453 0.000 0.995 508 R CB 0.002 29.743 30.300 -0.931 0.000 0.875 508 R HN 0.424 nan 8.270 nan 0.000 0.462 509 G N -0.346 108.333 108.800 -0.202 0.000 2.175 509 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.244 509 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.244 509 G C 0.465 175.440 174.900 0.125 0.000 0.982 509 G CA 0.201 45.282 45.100 -0.032 0.000 0.641 509 G HN 0.278 nan 8.290 nan 0.000 0.527 510 Y N -0.026 120.297 120.300 0.039 0.000 2.497 510 Y HA 0.320 4.870 4.550 -0.000 0.000 0.292 510 Y C 1.606 177.545 175.900 0.065 0.000 1.137 510 Y CA 0.294 58.437 58.100 0.073 0.000 1.285 510 Y CB 0.015 38.532 38.460 0.094 0.000 0.991 510 Y HN 0.198 nan 8.280 nan 0.000 0.556 511 V N 0.957 120.973 119.914 0.169 0.000 2.407 511 V HA 0.149 4.269 4.120 -0.000 0.000 0.291 511 V C 0.465 176.593 176.094 0.056 0.000 1.018 511 V CA -1.089 61.262 62.300 0.086 0.000 0.842 511 V CB 1.837 33.678 31.823 0.029 0.000 0.996 511 V HN 0.049 nan 8.190 nan 0.000 0.426 512 D N 3.377 123.810 120.400 0.055 0.000 2.149 512 D HA 0.041 4.681 4.640 -0.000 0.000 0.198 512 D C 0.685 177.017 176.300 0.053 0.000 0.990 512 D CA 1.759 55.797 54.000 0.063 0.000 0.839 512 D CB 0.509 41.356 40.800 0.078 0.000 0.948 512 D HN 0.747 nan 8.370 nan 0.000 0.460 513 A N -0.722 122.103 122.820 0.009 0.000 2.585 513 A HA 0.387 4.707 4.320 -0.000 0.000 0.299 513 A C -1.346 176.206 177.584 -0.054 0.000 1.047 513 A CA -0.658 51.383 52.037 0.006 0.000 0.723 513 A CB 1.111 20.152 19.000 0.067 0.000 1.275 513 A HN -0.135 nan 8.150 nan 0.000 0.408 514 V N 3.065 122.959 119.914 -0.034 0.000 2.320 514 V HA 0.488 4.608 4.120 -0.000 0.000 0.265 514 V C -0.168 175.895 176.094 -0.051 0.000 1.048 514 V CA 0.009 62.267 62.300 -0.070 0.000 0.865 514 V CB -0.085 31.663 31.823 -0.125 0.000 1.043 514 V HN 0.817 nan 8.190 nan 0.000 0.474 515 I N 4.155 124.681 120.570 -0.072 0.000 2.797 515 I HA 0.795 4.965 4.170 -0.000 0.000 0.307 515 I C -2.593 173.410 176.117 -0.191 0.000 1.033 515 I CA -3.004 58.222 61.300 -0.122 0.000 1.071 515 I CB 1.274 39.219 38.000 -0.092 0.000 1.255 515 I HN 0.246 nan 8.210 nan 0.000 0.445 516 P HA 0.188 nan 4.420 nan 0.000 0.269 516 P C -2.328 174.668 177.300 -0.506 0.000 1.209 516 P CA -1.080 61.754 63.100 -0.442 0.000 0.776 516 P CB -0.019 31.395 31.700 -0.476 0.000 0.876 517 P HA -0.235 nan 4.420 nan 0.000 0.212 517 P C 1.789 178.833 177.300 -0.426 0.000 1.178 517 P CA 2.235 64.546 63.100 -1.315 0.000 0.915 517 P CB -0.683 30.055 31.700 -1.604 0.000 0.788 518 S N -1.326 114.229 115.700 -0.243 0.000 2.421 518 S HA -0.301 4.169 4.470 -0.000 0.000 0.239 518 S C 1.759 176.437 174.600 0.130 0.000 1.054 518 S CA 1.925 60.115 58.200 -0.017 0.000 1.035 518 S CB -1.869 61.353 63.200 0.036 0.000 0.840 518 S HN 0.223 nan 8.310 nan 0.000 0.475 519 H N 1.601 120.646 119.070 -0.042 0.000 2.495 519 H HA 0.147 4.703 4.556 -0.000 0.000 0.287 519 H C 2.346 177.779 175.328 0.174 0.000 1.033 519 H CA 1.184 57.284 56.048 0.086 0.000 1.307 519 H CB -1.122 28.727 29.762 0.146 0.000 1.401 519 H HN 0.466 nan 8.280 nan 0.000 0.555 520 T N 0.806 115.527 114.554 0.277 0.000 2.620 520 T HA -0.271 4.079 4.350 -0.000 0.000 0.267 520 T C 2.180 177.031 174.700 0.253 0.000 1.044 520 T CA 1.574 63.859 62.100 0.309 0.000 1.161 520 T CB 0.008 69.126 68.868 0.416 0.000 0.862 520 T HN 0.278 nan 8.240 nan 0.000 0.438 521 R N 0.757 121.367 120.500 0.184 0.000 2.113 521 R HA -0.107 4.233 4.340 -0.000 0.000 0.231 521 R C 2.854 179.231 176.300 0.129 0.000 1.129 521 R CA 2.179 58.361 56.100 0.135 0.000 0.915 521 R CB -1.327 29.028 30.300 0.092 0.000 0.837 521 R HN 0.518 nan 8.270 nan 0.000 0.430 522 G N -0.834 108.024 108.800 0.096 0.000 2.462 522 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.220 522 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.220 522 G C 1.428 176.377 174.900 0.082 0.000 1.121 522 G CA 0.687 45.820 45.100 0.054 0.000 0.758 522 G HN 0.400 nan 8.290 nan 0.000 0.559 523 Y N 0.829 121.169 120.300 0.067 0.000 2.184 523 Y HA 0.055 4.605 4.550 -0.000 0.000 0.290 523 Y C 2.728 178.674 175.900 0.076 0.000 1.129 523 Y CA 0.952 59.102 58.100 0.083 0.000 1.144 523 Y CB -0.120 38.415 38.460 0.125 0.000 0.995 523 Y HN 0.135 nan 8.280 nan 0.000 0.513 524 I N -0.797 119.954 120.570 0.302 0.000 2.208 524 I HA -0.313 3.857 4.170 -0.000 0.000 0.245 524 I C 2.585 178.785 176.117 0.139 0.000 1.097 524 I CA 1.432 62.854 61.300 0.203 0.000 1.363 524 I CB -1.026 37.068 38.000 0.157 0.000 1.051 524 I HN 0.327 nan 8.210 nan 0.000 0.413 525 G N 0.365 109.232 108.800 0.111 0.000 2.446 525 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 525 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 525 G C 1.651 176.578 174.900 0.046 0.000 1.168 525 G CA 1.543 46.685 45.100 0.069 0.000 0.771 525 G HN 0.288 nan 8.290 nan 0.000 0.551 526 T N 1.564 116.129 114.554 0.019 0.000 2.737 526 T HA 0.058 4.408 4.350 -0.000 0.000 0.265 526 T C 2.835 177.548 174.700 0.020 0.000 1.038 526 T CA 1.530 63.621 62.100 -0.016 0.000 1.144 526 T CB -0.416 68.387 68.868 -0.109 0.000 0.866 526 T HN 0.383 nan 8.240 nan 0.000 0.434 527 A N 1.407 124.269 122.820 0.070 0.000 1.883 527 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 527 A C 2.316 179.943 177.584 0.073 0.000 1.186 527 A CA 1.329 53.424 52.037 0.097 0.000 0.624 527 A CB -1.010 18.087 19.000 0.162 0.000 0.822 527 A HN 0.470 nan 8.150 nan 0.000 0.444 528 L N -1.207 120.061 121.223 0.074 0.000 2.043 528 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 528 L C 2.811 179.707 176.870 0.044 0.000 1.075 528 L CA 1.976 56.853 54.840 0.061 0.000 0.752 528 L CB -0.368 41.730 42.059 0.066 0.000 0.891 528 L HN 0.486 nan 8.230 nan 0.000 0.432 529 R N -0.162 120.360 120.500 0.036 0.000 2.193 529 R HA -0.132 4.208 4.340 -0.000 0.000 0.213 529 R C 2.140 178.452 176.300 0.021 0.000 1.055 529 R CA 0.627 56.742 56.100 0.025 0.000 0.995 529 R CB 0.041 30.351 30.300 0.017 0.000 0.893 529 R HN 0.221 nan 8.270 nan 0.000 0.459 530 L N 0.053 121.291 121.223 0.026 0.000 2.127 530 L HA 0.036 4.376 4.340 -0.000 0.000 0.203 530 L C 1.010 177.895 176.870 0.026 0.000 1.080 530 L CA 1.438 56.292 54.840 0.024 0.000 0.768 530 L CB -0.003 42.074 42.059 0.030 0.000 0.924 530 L HN 0.148 nan 8.230 nan 0.000 0.444 531 L N -0.152 121.090 121.223 0.031 0.000 2.627 531 L HA 0.119 4.459 4.340 -0.000 0.000 0.232 531 L C 1.997 178.879 176.870 0.021 0.000 1.150 531 L CA 0.585 55.441 54.840 0.027 0.000 0.917 531 L CB -1.241 40.837 42.059 0.032 0.000 1.104 531 L HN 0.385 nan 8.230 nan 0.000 0.445 532 E N 1.092 121.304 120.200 0.020 0.000 2.082 532 E HA -0.254 4.096 4.350 -0.000 0.000 0.215 532 E C 0.539 177.146 176.600 0.012 0.000 1.048 532 E CA 1.778 58.188 56.400 0.017 0.000 0.869 532 E CB 0.157 29.866 29.700 0.015 0.000 0.773 532 E HN 0.284 nan 8.360 nan 0.000 0.466 533 R N 0.777 121.283 120.500 0.010 0.000 4.017 533 R HA 0.185 4.525 4.340 -0.000 0.000 0.272 533 R C -0.579 175.724 176.300 0.005 0.000 1.516 533 R CA -0.100 56.004 56.100 0.006 0.000 1.519 533 R CB 0.420 30.723 30.300 0.006 0.000 1.422 533 R HN -0.015 nan 8.270 nan 0.000 0.719 534 K N 1.921 122.323 120.400 0.003 0.000 2.451 534 K HA 0.041 4.361 4.320 -0.000 0.000 0.280 534 K C -0.270 176.327 176.600 -0.005 0.000 1.020 534 K CA -0.018 56.269 56.287 0.000 0.000 1.008 534 K CB 0.511 33.009 32.500 -0.003 0.000 0.917 534 K HN 0.197 nan 8.250 nan 0.000 0.478 535 I N 3.619 124.187 120.570 -0.004 0.000 2.307 535 I HA 0.320 4.490 4.170 -0.000 0.000 0.289 535 I C -0.217 175.894 176.117 -0.011 0.000 1.021 535 I CA -0.433 60.864 61.300 -0.006 0.000 1.224 535 I CB 0.408 38.407 38.000 -0.002 0.000 1.376 535 I HN 0.642 nan 8.210 nan 0.000 0.470 536 A N 7.446 130.256 122.820 -0.017 0.000 2.497 536 A HA 0.565 4.885 4.320 -0.000 0.000 0.280 536 A C -0.523 177.045 177.584 -0.026 0.000 1.065 536 A CA -0.718 51.305 52.037 -0.023 0.000 0.781 536 A CB 1.116 20.096 19.000 -0.034 0.000 1.289 536 A HN 0.700 nan 8.150 nan 0.000 0.415 537 Q N 3.377 123.164 119.800 -0.022 0.000 2.372 537 Q HA 0.679 5.019 4.340 -0.000 0.000 0.259 537 Q C -1.119 174.866 176.000 -0.025 0.000 0.993 537 Q CA -0.558 55.232 55.803 -0.022 0.000 0.854 537 Q CB 1.489 30.218 28.738 -0.015 0.000 1.231 537 Q HN 0.646 nan 8.270 nan 0.000 0.462 538 L N 3.887 125.092 121.223 -0.030 0.000 2.439 538 L HA 0.297 4.637 4.340 -0.000 0.000 0.269 538 L C -1.777 175.079 176.870 -0.023 0.000 1.179 538 L CA -1.823 52.997 54.840 -0.033 0.000 0.828 538 L CB 0.467 42.503 42.059 -0.039 0.000 1.106 538 L HN 0.533 nan 8.230 nan 0.000 0.467 539 P HA 0.036 nan 4.420 nan 0.000 0.265 539 P C -2.392 174.900 177.300 -0.013 0.000 1.187 539 P CA -0.651 62.439 63.100 -0.016 0.000 0.766 539 P CB -0.232 31.459 31.700 -0.015 0.000 0.820 540 P HA 0.129 nan 4.420 nan 0.000 0.267 540 P C -0.715 176.574 177.300 -0.019 0.000 1.205 540 P CA 0.177 63.269 63.100 -0.014 0.000 0.765 540 P CB 0.571 32.264 31.700 -0.013 0.000 0.828 541 K N 0.721 121.107 120.400 -0.022 0.000 2.774 541 K HA 0.182 4.502 4.320 -0.000 0.000 0.283 541 K C 0.064 176.634 176.600 -0.050 0.000 1.050 541 K CA -1.019 55.242 56.287 -0.044 0.000 0.872 541 K CB 0.461 32.935 32.500 -0.044 0.000 1.434 541 K HN -0.037 nan 8.250 nan 0.000 0.372 542 K N 0.229 120.562 120.400 -0.112 0.000 2.103 542 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 542 K C 0.040 176.635 176.600 -0.008 0.000 1.048 542 K CA 2.280 58.507 56.287 -0.100 0.000 0.930 542 K CB -0.450 31.930 32.500 -0.200 0.000 0.716 542 K HN 0.842 nan 8.250 nan 0.000 0.444 543 H N -4.697 114.385 119.070 0.020 0.000 2.882 543 H HA 0.336 4.892 4.556 -0.000 0.000 0.258 543 H C -0.377 174.984 175.328 0.055 0.000 1.435 543 H CA -0.645 55.423 56.048 0.033 0.000 1.190 543 H CB 0.093 29.867 29.762 0.020 0.000 1.800 543 H HN 0.019 nan 8.280 nan 0.000 0.452 544 G N -0.845 108.153 108.800 0.330 0.000 2.543 544 G HA2 0.322 4.282 3.960 -0.000 0.000 0.290 544 G HA3 0.322 4.282 3.960 -0.000 0.000 0.290 544 G C -0.390 174.670 174.900 0.267 0.000 1.310 544 G CA -0.493 44.793 45.100 0.310 0.000 1.025 544 G HN 0.742 nan 8.290 nan 0.000 0.502 545 N N -0.444 118.335 118.700 0.132 0.000 2.598 545 N HA 0.104 4.844 4.740 -0.000 0.000 0.309 545 N C 0.093 175.488 175.510 -0.192 0.000 1.645 545 N CA -0.536 52.523 53.050 0.015 0.000 0.936 545 N CB 0.401 38.916 38.487 0.048 0.000 1.323 545 N HN 0.313 nan 8.380 nan 0.000 0.497 546 V N 1.598 121.180 119.914 -0.552 0.000 2.953 546 V HA 0.100 4.220 4.120 -0.000 0.000 0.304 546 V C -1.968 173.894 176.094 -0.387 0.000 1.138 546 V CA -0.655 61.085 62.300 -0.934 0.000 1.266 546 V CB 0.297 31.409 31.823 -1.185 0.000 0.923 546 V HN 0.327 nan 8.190 nan 0.000 0.505 547 P HA 0.299 nan 4.420 nan 0.000 0.271 547 P C -0.853 176.380 177.300 -0.111 0.000 1.216 547 P CA -0.180 62.844 63.100 -0.126 0.000 0.771 547 P CB 0.665 32.326 31.700 -0.064 0.000 0.864 548 L N 0.000 121.176 121.223 -0.078 0.000 2.949 548 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 548 L CA 0.000 54.804 54.840 -0.059 0.000 0.813 548 L CB 0.000 42.020 42.059 -0.066 0.000 0.961 548 L HN 0.000 nan 8.230 nan 0.000 0.502