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 1llq_1_B DATA FIRST_RESID 2 DATA SEQUENCE SVAHHEDVYS HNLPPMDEKE MALYKLYRPE RVTPKKRSAE LLKEPRLNKG DATA SEQUENCE MGFSLYERQY LGLHGLLPPA FMTQEQQAYR VITKLREQPN DLARYIQLDG DATA SEQUENCE LQDRNEKLFY RVVCDHVKEL MPIVYTPTVG LACQNFGYIY RKPKGLYITI DATA SEQUENCE NDNSVSKIYQ ILSNWHEEDV RAIVVTDGER ILGLGDLGAY GIGIPVGKLA DATA SEQUENCE LYVALGGVQP KWCLPVLLDV GTNNMDLLND PFYIGLRHKR VRGKDYDTLL DATA SEQUENCE DNFMKACTKK YGQKTLIQFE DFANPNAFRL LDKYQDKYTM FNDDIQGTAS DATA SEQUENCE VIVAGLLTCT RVTKKLVSQE KYLFFGAGAA STGIAEMIVH QMQNEGISKE DATA SEQUENCE EACNRIYLMD IDGLVTKNRK EMNPRHVQFA KDMPETTSIL EVIRAARPGA DATA SEQUENCE LIGASTVRGA FNEEVIRAMA EINERPIIFA LSNPTSKAEC TAEEAYTFTN DATA SEQUENCE GAALYASGSP FPNFELNGHT YKPGQGNNAY IFPGVALGTI LFQIRHVDND DATA SEQUENCE LFLLAAKKVA SCVTEDSLKV GRVYPQLKEI REISIQIAVE MAKYCYKNGT DATA SEQUENCE ANLYPQPEDL EKYVRAQVYN TEYEELINAT YDWPEQDMRH GF 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.604 174.600 0.006 0.000 1.055 2 S CA 0.000 58.200 58.200 0.000 0.000 1.107 2 S CB 0.000 63.191 63.200 -0.016 0.000 0.593 3 V N 1.631 121.569 119.914 0.039 0.000 3.003 3 V HA 0.660 4.781 4.120 0.000 0.000 0.305 3 V C 1.341 177.419 176.094 -0.027 0.000 1.078 3 V CA 0.187 62.491 62.300 0.007 0.000 1.083 3 V CB 1.098 32.940 31.823 0.031 0.000 1.039 3 V HN 1.344 nan 8.190 nan 0.000 0.481 4 A N 1.846 124.564 122.820 -0.169 0.000 2.366 4 A HA 0.258 4.578 4.320 0.000 0.000 0.249 4 A C 1.088 178.490 177.584 -0.303 0.000 1.084 4 A CA 0.431 52.258 52.037 -0.349 0.000 0.794 4 A CB -0.195 18.334 19.000 -0.784 0.000 1.034 4 A HN 1.245 nan 8.150 nan 0.000 0.491 5 H N -0.175 118.823 119.070 -0.120 0.000 2.518 5 H HA -0.125 4.431 4.556 0.000 0.000 0.289 5 H C 0.959 176.293 175.328 0.009 0.000 1.051 5 H CA 2.166 58.234 56.048 0.033 0.000 1.280 5 H CB -0.622 29.201 29.762 0.101 0.000 1.380 5 H HN 0.902 nan 8.280 nan 0.000 0.566 6 H N -1.370 117.612 119.070 -0.147 0.000 2.549 6 H HA 0.406 4.962 4.556 0.000 0.000 0.279 6 H C -0.398 174.913 175.328 -0.028 0.000 1.018 6 H CA -0.646 55.382 56.048 -0.032 0.000 1.175 6 H CB 0.048 29.743 29.762 -0.111 0.000 1.485 6 H HN 0.470 nan 8.280 nan 0.000 0.543 7 E N 0.497 120.619 120.200 -0.131 0.000 2.244 7 E HA 0.197 4.547 4.350 0.000 0.000 0.266 7 E C -0.892 175.664 176.600 -0.073 0.000 0.914 7 E CA -1.116 55.261 56.400 -0.037 0.000 0.794 7 E CB 1.822 31.474 29.700 -0.081 0.000 1.210 7 E HN 0.204 nan 8.360 nan 0.000 0.414 8 D N 1.018 121.375 120.400 -0.072 0.000 2.348 8 D HA 0.175 4.815 4.640 0.000 0.000 0.249 8 D C -0.342 175.835 176.300 -0.206 0.000 1.110 8 D CA -0.565 53.333 54.000 -0.169 0.000 0.967 8 D CB 1.323 42.048 40.800 -0.126 0.000 1.139 8 D HN 0.193 nan 8.370 nan 0.000 0.466 9 V N 1.015 120.703 119.914 -0.377 0.000 3.051 9 V HA 0.147 4.267 4.120 0.000 0.000 0.306 9 V C 0.034 175.856 176.094 -0.453 0.000 1.083 9 V CA -0.598 61.458 62.300 -0.407 0.000 1.104 9 V CB -0.443 31.039 31.823 -0.568 0.000 1.027 9 V HN 0.695 nan 8.190 nan 0.000 0.483 10 Y N 0.748 121.082 120.300 0.056 0.000 2.987 10 Y HA -0.173 4.377 4.550 0.000 0.000 0.218 10 Y C 0.512 176.477 175.900 0.108 0.000 1.099 10 Y CA 0.783 58.931 58.100 0.081 0.000 0.818 10 Y CB -2.751 35.752 38.460 0.071 0.000 1.114 10 Y HN 0.601 nan 8.280 nan 0.000 0.451 11 S N -0.809 115.014 115.700 0.206 0.000 2.941 11 S HA 0.092 4.563 4.470 0.000 0.000 0.251 11 S C -0.262 174.445 174.600 0.178 0.000 1.029 11 S CA -0.493 57.825 58.200 0.195 0.000 1.062 11 S CB -0.135 63.141 63.200 0.126 0.000 0.977 11 S HN 0.754 nan 8.310 nan 0.000 0.552 12 H N 2.226 121.355 119.070 0.098 0.000 2.511 12 H HA 0.481 5.038 4.556 0.000 0.000 0.346 12 H C 0.527 175.887 175.328 0.052 0.000 1.128 12 H CA 0.553 56.641 56.048 0.066 0.000 1.342 12 H CB 0.352 30.152 29.762 0.063 0.000 1.470 12 H HN 0.111 nan 8.280 nan 0.000 0.546 13 N N 2.089 120.379 118.700 -0.683 0.000 2.756 13 N HA -0.184 4.556 4.740 0.000 0.000 0.248 13 N C -1.542 173.854 175.510 -0.191 0.000 1.062 13 N CA 0.682 53.467 53.050 -0.442 0.000 0.696 13 N CB -1.180 37.110 38.487 -0.328 0.000 0.946 13 N HN 0.535 nan 8.380 nan 0.000 0.548 14 L N 0.218 121.346 121.223 -0.159 0.000 2.343 14 L HA 0.605 4.945 4.340 0.000 0.000 0.275 14 L C -1.210 175.570 176.870 -0.150 0.000 1.056 14 L CA -1.778 52.972 54.840 -0.150 0.000 0.804 14 L CB 0.575 42.542 42.059 -0.153 0.000 1.203 14 L HN 0.078 nan 8.230 nan 0.000 0.440 15 P HA 0.110 nan 4.420 nan 0.000 0.269 15 P C -2.449 174.781 177.300 -0.117 0.000 1.215 15 P CA -0.791 62.232 63.100 -0.127 0.000 0.780 15 P CB -0.258 31.365 31.700 -0.130 0.000 0.898 16 P HA 0.066 nan 4.420 nan 0.000 0.263 16 P C -0.852 176.408 177.300 -0.067 0.000 1.195 16 P CA 0.773 63.835 63.100 -0.064 0.000 0.762 16 P CB 0.429 32.101 31.700 -0.046 0.000 0.799 17 M N 1.919 121.482 119.600 -0.061 0.000 2.501 17 M HA 0.248 4.728 4.480 0.000 0.000 0.293 17 M C -0.246 176.037 176.300 -0.029 0.000 1.192 17 M CA -0.833 54.437 55.300 -0.051 0.000 0.886 17 M CB 2.604 35.162 32.600 -0.071 0.000 1.710 17 M HN 0.297 nan 8.290 nan 0.000 0.457 18 D N 0.646 121.034 120.400 -0.020 0.000 2.264 18 D HA 0.129 4.769 4.640 0.000 0.000 0.249 18 D C 0.888 177.184 176.300 -0.008 0.000 1.070 18 D CA -0.129 53.863 54.000 -0.013 0.000 0.912 18 D CB 1.229 42.022 40.800 -0.011 0.000 1.193 18 D HN 0.715 nan 8.370 nan 0.000 0.427 19 E N 1.870 122.066 120.200 -0.007 0.000 2.181 19 E HA -0.427 3.923 4.350 0.000 0.000 0.225 19 E C 1.547 178.144 176.600 -0.005 0.000 1.073 19 E CA 2.701 59.099 56.400 -0.004 0.000 0.916 19 E CB -0.093 29.603 29.700 -0.007 0.000 0.793 19 E HN 0.534 nan 8.360 nan 0.000 0.472 20 K N 0.465 120.859 120.400 -0.010 0.000 2.097 20 K HA -0.130 4.190 4.320 0.000 0.000 0.205 20 K C 1.925 178.515 176.600 -0.017 0.000 1.050 20 K CA 1.957 58.234 56.287 -0.017 0.000 0.938 20 K CB -0.114 32.375 32.500 -0.019 0.000 0.718 20 K HN 0.297 nan 8.250 nan 0.000 0.442 21 E N -0.367 119.829 120.200 -0.006 0.000 2.106 21 E HA -0.183 4.167 4.350 0.000 0.000 0.192 21 E C 1.868 178.491 176.600 0.039 0.000 0.984 21 E CA 1.411 57.814 56.400 0.005 0.000 0.806 21 E CB -0.141 29.558 29.700 -0.002 0.000 0.750 21 E HN 0.311 nan 8.360 nan 0.000 0.458 22 M N 0.852 120.477 119.600 0.040 0.000 2.132 22 M HA -0.063 4.417 4.480 0.000 0.000 0.263 22 M C 2.090 178.454 176.300 0.108 0.000 1.065 22 M CA 1.649 57.010 55.300 0.100 0.000 1.122 22 M CB -0.166 32.470 32.600 0.061 0.000 1.365 22 M HN 0.056 nan 8.290 nan 0.000 0.411 23 A N 0.008 122.844 122.820 0.027 0.000 1.865 23 A HA -0.164 4.156 4.320 0.000 0.000 0.217 23 A C 2.134 179.673 177.584 -0.074 0.000 1.191 23 A CA 1.942 53.969 52.037 -0.018 0.000 0.623 23 A CB -1.293 17.685 19.000 -0.036 0.000 0.826 23 A HN 0.563 nan 8.150 nan 0.000 0.444 24 L N -1.620 119.535 121.223 -0.114 0.000 2.191 24 L HA -0.114 4.226 4.340 0.000 0.000 0.212 24 L C 2.251 178.956 176.870 -0.275 0.000 1.103 24 L CA 2.005 56.662 54.840 -0.306 0.000 0.769 24 L CB -0.658 41.227 42.059 -0.290 0.000 0.908 24 L HN 0.587 nan 8.230 nan 0.000 0.438 25 Y N -0.432 119.786 120.300 -0.137 0.000 2.286 25 Y HA -0.112 4.438 4.550 0.000 0.000 0.293 25 Y C 2.180 178.091 175.900 0.017 0.000 1.124 25 Y CA 1.381 59.464 58.100 -0.028 0.000 1.178 25 Y CB -0.068 38.393 38.460 0.002 0.000 1.010 25 Y HN -0.002 nan 8.280 nan 0.000 0.536 26 K N 0.267 120.520 120.400 -0.246 0.000 2.155 26 K HA -0.078 4.242 4.320 0.000 0.000 0.203 26 K C 2.036 178.542 176.600 -0.157 0.000 1.052 26 K CA 1.064 57.185 56.287 -0.277 0.000 0.948 26 K CB -0.657 31.786 32.500 -0.095 0.000 0.728 26 K HN 0.413 nan 8.250 nan 0.000 0.448 27 L N -0.155 120.998 121.223 -0.117 0.000 2.109 27 L HA -0.092 4.248 4.340 0.000 0.000 0.207 27 L C 1.932 178.899 176.870 0.162 0.000 1.086 27 L CA 1.517 56.343 54.840 -0.023 0.000 0.760 27 L CB -0.285 41.719 42.059 -0.093 0.000 0.910 27 L HN 0.162 nan 8.230 nan 0.000 0.437 28 Y N 0.042 120.334 120.300 -0.012 0.000 2.448 28 Y HA 0.063 4.613 4.550 0.000 0.000 0.289 28 Y C 1.146 177.034 175.900 -0.020 0.000 1.114 28 Y CA -0.549 57.577 58.100 0.043 0.000 1.235 28 Y CB -0.051 38.470 38.460 0.102 0.000 1.045 28 Y HN 0.188 nan 8.280 nan 0.000 0.554 29 R N 3.132 123.638 120.500 0.009 0.000 2.698 29 R HA 0.093 4.433 4.340 0.000 0.000 0.266 29 R C -2.751 173.548 176.300 -0.003 0.000 1.026 29 R CA -1.371 54.685 56.100 -0.073 0.000 1.102 29 R CB -0.632 29.453 30.300 -0.359 0.000 0.978 29 R HN -0.084 nan 8.270 nan 0.000 0.436 30 P HA 0.051 nan 4.420 nan 0.000 0.271 30 P C -0.905 176.398 177.300 0.005 0.000 1.216 30 P CA 0.128 63.231 63.100 0.005 0.000 0.771 30 P CB 0.917 32.602 31.700 -0.024 0.000 0.864 31 E N 2.060 122.282 120.200 0.038 0.000 2.250 31 E HA 0.276 4.626 4.350 0.000 0.000 0.269 31 E C 0.294 176.879 176.600 -0.026 0.000 1.018 31 E CA -0.939 55.511 56.400 0.083 0.000 0.873 31 E CB 1.582 31.373 29.700 0.151 0.000 1.134 31 E HN 0.416 nan 8.360 nan 0.000 0.403 32 R N 0.554 120.997 120.500 -0.095 0.000 2.594 32 R HA 0.242 4.582 4.340 0.000 0.000 0.272 32 R C -0.872 175.438 176.300 0.016 0.000 1.074 32 R CA -0.124 55.903 56.100 -0.122 0.000 1.105 32 R CB 0.490 30.685 30.300 -0.174 0.000 1.008 32 R HN 0.185 nan 8.270 nan 0.000 0.472 33 V N 3.646 123.565 119.914 0.009 0.000 2.447 33 V HA 0.190 4.310 4.120 0.000 0.000 0.292 33 V C -0.446 175.668 176.094 0.033 0.000 1.021 33 V CA -0.722 61.599 62.300 0.036 0.000 0.850 33 V CB 1.869 33.715 31.823 0.038 0.000 1.005 33 V HN 0.851 nan 8.190 nan 0.000 0.426 34 T N 7.846 122.422 114.554 0.038 0.000 2.780 34 T HA 0.395 4.745 4.350 0.000 0.000 0.294 34 T C -1.748 172.969 174.700 0.028 0.000 0.949 34 T CA -0.513 61.604 62.100 0.029 0.000 1.074 34 T CB 1.287 70.168 68.868 0.022 0.000 0.910 34 T HN 0.592 nan 8.240 nan 0.000 0.501 35 P HA 0.366 nan 4.420 nan 0.000 0.275 35 P C 0.008 177.316 177.300 0.013 0.000 1.266 35 P CA -0.556 62.558 63.100 0.024 0.000 0.793 35 P CB 1.434 33.153 31.700 0.031 0.000 1.074 36 K N -0.809 119.597 120.400 0.010 0.000 2.367 36 K HA 0.145 4.465 4.320 0.000 0.000 0.195 36 K C 0.665 177.263 176.600 -0.003 0.000 1.060 36 K CA 0.128 56.417 56.287 0.004 0.000 1.022 36 K CB 0.365 32.869 32.500 0.007 0.000 0.894 36 K HN 0.334 nan 8.250 nan 0.000 0.540 37 K N 1.229 121.627 120.400 -0.004 0.000 2.154 37 K HA 0.293 4.613 4.320 0.000 0.000 0.264 37 K C -0.087 176.502 176.600 -0.019 0.000 1.008 37 K CA -0.102 56.178 56.287 -0.011 0.000 0.937 37 K CB 1.080 33.573 32.500 -0.011 0.000 1.002 37 K HN -0.062 nan 8.250 nan 0.000 0.469 38 R N 0.345 120.830 120.500 -0.025 0.000 2.869 38 R HA 0.368 4.709 4.340 0.000 0.000 0.263 38 R C -0.246 176.030 176.300 -0.041 0.000 1.066 38 R CA -0.682 55.395 56.100 -0.037 0.000 0.960 38 R CB 1.882 32.166 30.300 -0.027 0.000 1.221 38 R HN 0.827 nan 8.270 nan 0.000 0.474 39 S N 0.210 115.878 115.700 -0.053 0.000 3.416 39 S HA -0.350 4.120 4.470 0.000 0.000 0.627 39 S C 1.352 175.928 174.600 -0.039 0.000 2.746 39 S CA 0.926 59.098 58.200 -0.046 0.000 3.896 39 S CB -1.349 61.834 63.200 -0.030 0.000 0.264 39 S HN 0.895 nan 8.310 nan 0.000 1.229 40 A N 0.690 123.493 122.820 -0.029 0.000 1.986 40 A HA -0.191 4.129 4.320 0.000 0.000 0.220 40 A C 1.951 179.523 177.584 -0.021 0.000 1.171 40 A CA 2.428 54.451 52.037 -0.023 0.000 0.640 40 A CB -0.800 18.186 19.000 -0.023 0.000 0.811 40 A HN 0.716 nan 8.150 nan 0.000 0.451 41 E N -0.772 119.414 120.200 -0.024 0.000 2.110 41 E HA -0.162 4.188 4.350 0.000 0.000 0.193 41 E C 1.995 178.584 176.600 -0.018 0.000 0.988 41 E CA 1.125 57.511 56.400 -0.025 0.000 0.804 41 E CB -0.210 29.475 29.700 -0.025 0.000 0.745 41 E HN 0.701 nan 8.360 nan 0.000 0.458 42 L N 0.744 121.957 121.223 -0.015 0.000 2.072 42 L HA -0.129 4.211 4.340 0.000 0.000 0.205 42 L C 2.169 179.063 176.870 0.040 0.000 1.079 42 L CA 0.868 55.710 54.840 0.004 0.000 0.752 42 L CB -0.033 42.011 42.059 -0.024 0.000 0.906 42 L HN 0.146 nan 8.230 nan 0.000 0.436 43 L N -0.157 121.086 121.223 0.033 0.000 2.187 43 L HA -0.225 4.115 4.340 0.000 0.000 0.213 43 L C 2.084 178.979 176.870 0.041 0.000 1.100 43 L CA 1.220 56.104 54.840 0.074 0.000 0.765 43 L CB -0.462 41.627 42.059 0.050 0.000 0.904 43 L HN 0.242 nan 8.230 nan 0.000 0.437 44 K N -0.311 120.093 120.400 0.006 0.000 2.458 44 K HA 0.046 4.366 4.320 0.000 0.000 0.194 44 K C -0.011 176.567 176.600 -0.036 0.000 1.024 44 K CA 0.109 56.384 56.287 -0.020 0.000 1.108 44 K CB 0.308 32.786 32.500 -0.037 0.000 0.846 44 K HN 0.100 nan 8.250 nan 0.000 0.518 45 E N 0.887 121.078 120.200 -0.014 0.000 2.063 45 E HA 0.106 4.456 4.350 0.000 0.000 0.265 45 E C -2.140 174.460 176.600 -0.001 0.000 0.919 45 E CA -2.340 54.043 56.400 -0.028 0.000 0.756 45 E CB 1.466 31.158 29.700 -0.014 0.000 1.120 45 E HN -0.082 nan 8.360 nan 0.000 0.414 46 P HA -0.169 nan 4.420 nan 0.000 0.217 46 P C 1.079 178.407 177.300 0.046 0.000 1.151 46 P CA 1.257 64.357 63.100 -0.001 0.000 0.849 46 P CB 0.316 31.992 31.700 -0.039 0.000 0.787 47 R N -1.228 119.300 120.500 0.046 0.000 2.280 47 R HA 0.082 4.422 4.340 0.000 0.000 0.207 47 R C 1.799 178.154 176.300 0.091 0.000 1.043 47 R CA 0.812 56.963 56.100 0.085 0.000 1.006 47 R CB -0.356 29.983 30.300 0.064 0.000 0.885 47 R HN 0.323 nan 8.270 nan 0.000 0.467 48 L N -1.082 120.189 121.223 0.079 0.000 2.609 48 L HA 0.159 4.499 4.340 0.000 0.000 0.230 48 L C 0.570 177.517 176.870 0.128 0.000 1.064 48 L CA -0.342 54.564 54.840 0.110 0.000 0.873 48 L CB -0.091 42.040 42.059 0.119 0.000 1.139 48 L HN -0.048 nan 8.230 nan 0.000 0.490 49 N N 1.542 120.302 118.700 0.099 0.000 2.468 49 N HA 0.005 4.745 4.740 0.000 0.000 0.265 49 N C 0.407 175.796 175.510 -0.203 0.000 1.199 49 N CA 0.604 53.702 53.050 0.080 0.000 0.928 49 N CB 0.697 39.240 38.487 0.094 0.000 1.059 49 N HN 0.074 nan 8.380 nan 0.000 0.467 50 K N 2.179 122.163 120.400 -0.694 0.000 2.373 50 K HA 0.235 4.555 4.320 0.000 0.000 0.200 50 K C 1.095 177.413 176.600 -0.470 0.000 1.054 50 K CA 0.112 55.816 56.287 -0.971 0.000 1.065 50 K CB 0.299 31.632 32.500 -1.945 0.000 0.886 50 K HN 0.766 nan 8.250 nan 0.000 0.546 51 G N 2.356 111.045 108.800 -0.186 0.000 2.574 51 G HA2 -0.397 3.563 3.960 0.000 0.000 0.286 51 G HA3 -0.397 3.563 3.960 0.000 0.000 0.286 51 G C 0.715 175.651 174.900 0.060 0.000 1.212 51 G CA 0.415 45.527 45.100 0.020 0.000 0.979 51 G HN 0.191 nan 8.290 nan 0.000 0.557 52 M N 2.002 121.629 119.600 0.044 0.000 2.700 52 M HA 0.087 4.567 4.480 0.000 0.000 0.249 52 M C 2.508 178.862 176.300 0.090 0.000 1.082 52 M CA 1.300 56.636 55.300 0.060 0.000 1.077 52 M CB -0.278 32.325 32.600 0.005 0.000 1.477 52 M HN 0.646 nan 8.290 nan 0.000 0.529 53 G N -0.078 108.719 108.800 -0.006 0.000 2.598 53 G HA2 -0.068 3.892 3.960 0.000 0.000 0.215 53 G HA3 -0.068 3.892 3.960 0.000 0.000 0.215 53 G C 0.326 175.185 174.900 -0.068 0.000 1.131 53 G CA -0.244 44.843 45.100 -0.021 0.000 0.785 53 G HN 0.300 nan 8.290 nan 0.000 0.539 54 F N 2.332 122.283 119.950 0.001 0.000 2.543 54 F HA 0.238 4.765 4.527 0.000 0.000 0.375 54 F C 1.542 177.428 175.800 0.143 0.000 1.075 54 F CA -0.606 57.408 58.000 0.025 0.000 1.225 54 F CB 0.886 39.907 39.000 0.035 0.000 1.099 54 F HN 0.053 nan 8.300 nan 0.000 0.561 55 S N 3.931 119.790 115.700 0.264 0.000 2.608 55 S HA 0.055 4.525 4.470 0.000 0.000 0.261 55 S C 0.943 175.517 174.600 -0.044 0.000 1.314 55 S CA -0.903 57.304 58.200 0.011 0.000 0.992 55 S CB 0.959 64.106 63.200 -0.089 0.000 0.935 55 S HN 0.698 nan 8.310 nan 0.000 0.564 56 L N 0.982 121.904 121.223 -0.502 0.000 2.046 56 L HA -0.020 4.320 4.340 0.000 0.000 0.208 56 L C 2.134 178.909 176.870 -0.158 0.000 1.077 56 L CA 1.631 56.264 54.840 -0.344 0.000 0.747 56 L CB -1.116 40.550 42.059 -0.655 0.000 0.896 56 L HN 0.861 nan 8.230 nan 0.000 0.432 57 Y N -0.231 119.966 120.300 -0.171 0.000 2.163 57 Y HA -0.233 4.317 4.550 0.000 0.000 0.288 57 Y C 2.555 178.433 175.900 -0.038 0.000 1.136 57 Y CA 1.004 59.003 58.100 -0.169 0.000 1.147 57 Y CB -0.203 38.211 38.460 -0.076 0.000 0.987 57 Y HN 0.273 nan 8.280 nan 0.000 0.509 58 E N 0.390 120.733 120.200 0.239 0.000 2.070 58 E HA -0.244 4.106 4.350 0.000 0.000 0.197 58 E C 2.171 178.792 176.600 0.035 0.000 1.004 58 E CA 1.264 57.782 56.400 0.197 0.000 0.805 58 E CB -0.197 29.638 29.700 0.225 0.000 0.744 58 E HN 0.461 nan 8.360 nan 0.000 0.451 59 R N 0.578 121.086 120.500 0.014 0.000 2.096 59 R HA -0.168 4.172 4.340 0.000 0.000 0.235 59 R C 2.404 178.704 176.300 -0.000 0.000 1.127 59 R CA 1.418 57.509 56.100 -0.016 0.000 0.968 59 R CB -0.211 30.177 30.300 0.147 0.000 0.861 59 R HN 0.295 nan 8.270 nan 0.000 0.440 60 Q N -0.614 119.156 119.800 -0.051 0.000 2.083 60 Q HA -0.116 4.224 4.340 0.000 0.000 0.198 60 Q C 1.756 177.718 176.000 -0.063 0.000 0.969 60 Q CA 1.352 57.093 55.803 -0.103 0.000 0.838 60 Q CB -0.103 28.495 28.738 -0.234 0.000 0.900 60 Q HN 0.457 nan 8.270 nan 0.000 0.436 61 Y N 0.715 120.996 120.300 -0.032 0.000 2.114 61 Y HA -0.176 4.375 4.550 0.000 0.000 0.284 61 Y C 1.862 177.726 175.900 -0.060 0.000 1.143 61 Y CA 0.652 58.726 58.100 -0.044 0.000 1.135 61 Y CB 0.112 38.551 38.460 -0.035 0.000 0.980 61 Y HN 0.045 nan 8.280 nan 0.000 0.499 62 L N -0.501 120.770 121.223 0.080 0.000 2.627 62 L HA 0.153 4.493 4.340 0.000 0.000 0.233 62 L C 1.349 178.189 176.870 -0.049 0.000 1.144 62 L CA 0.542 55.364 54.840 -0.032 0.000 0.892 62 L CB -0.685 41.279 42.059 -0.158 0.000 1.039 62 L HN 0.444 nan 8.230 nan 0.000 0.442 63 G N 0.569 109.360 108.800 -0.016 0.000 2.221 63 G HA2 -0.279 3.682 3.960 0.000 0.000 0.265 63 G HA3 -0.279 3.682 3.960 0.000 0.000 0.265 63 G C 0.587 175.472 174.900 -0.026 0.000 1.041 63 G CA 0.481 45.574 45.100 -0.010 0.000 0.807 63 G HN 0.420 nan 8.290 nan 0.000 0.502 64 L N -1.274 119.924 121.223 -0.042 0.000 2.515 64 L HA 0.276 4.616 4.340 0.000 0.000 0.223 64 L C 1.437 178.328 176.870 0.034 0.000 1.079 64 L CA -0.460 54.348 54.840 -0.053 0.000 0.857 64 L CB -0.115 41.838 42.059 -0.178 0.000 1.050 64 L HN 0.289 nan 8.230 nan 0.000 0.476 65 H N 1.403 120.453 119.070 -0.032 0.000 3.167 65 H HA 0.207 4.763 4.556 0.000 0.000 0.306 65 H C 1.172 176.497 175.328 -0.006 0.000 0.965 65 H CA 0.942 56.992 56.048 0.002 0.000 1.408 65 H CB 0.498 30.267 29.762 0.012 0.000 1.406 65 H HN 0.327 nan 8.280 nan 0.000 0.576 66 G N 3.344 111.908 108.800 -0.393 0.000 2.234 66 G HA2 -0.271 3.689 3.960 0.000 0.000 0.235 66 G HA3 -0.271 3.689 3.960 0.000 0.000 0.235 66 G C 1.078 175.889 174.900 -0.147 0.000 0.997 66 G CA 0.343 45.256 45.100 -0.312 0.000 0.623 66 G HN 0.612 nan 8.290 nan 0.000 0.514 67 L N 0.071 121.241 121.223 -0.088 0.000 2.446 67 L HA 0.464 4.804 4.340 0.000 0.000 0.219 67 L C 1.120 177.966 176.870 -0.039 0.000 1.116 67 L CA 0.406 55.215 54.840 -0.052 0.000 0.844 67 L CB 0.046 42.086 42.059 -0.031 0.000 0.970 67 L HN 0.209 nan 8.230 nan 0.000 0.457 68 L N -1.223 119.976 121.223 -0.041 0.000 2.319 68 L HA 0.485 4.825 4.340 0.000 0.000 0.267 68 L C -2.216 174.604 176.870 -0.083 0.000 1.011 68 L CA -2.018 52.802 54.840 -0.032 0.000 0.818 68 L CB 1.191 43.262 42.059 0.020 0.000 1.316 68 L HN -0.253 nan 8.230 nan 0.000 0.432 69 P HA 0.120 nan 4.420 nan 0.000 0.272 69 P C -2.298 174.877 177.300 -0.208 0.000 1.230 69 P CA -0.925 62.100 63.100 -0.125 0.000 0.788 69 P CB -0.030 31.608 31.700 -0.102 0.000 0.949 70 P HA 0.131 nan 4.420 nan 0.000 0.254 70 P C -0.712 176.291 177.300 -0.495 0.000 1.631 70 P CA 0.388 63.303 63.100 -0.309 0.000 0.861 70 P CB -0.271 31.346 31.700 -0.138 0.000 1.663 71 A N 0.224 122.706 122.820 -0.563 0.000 2.356 71 A HA 0.763 5.083 4.320 0.000 0.000 0.323 71 A C -1.085 176.075 177.584 -0.707 0.000 1.119 71 A CA -0.610 51.137 52.037 -0.485 0.000 0.790 71 A CB 1.116 19.998 19.000 -0.197 0.000 1.273 71 A HN 0.061 nan 8.150 nan 0.000 0.452 72 F N 0.947 120.910 119.950 0.021 0.000 2.493 72 F HA 0.618 5.145 4.527 0.000 0.000 0.329 72 F C 0.257 176.071 175.800 0.023 0.000 1.126 72 F CA -0.277 57.738 58.000 0.024 0.000 0.937 72 F CB 2.046 41.050 39.000 0.007 0.000 1.146 72 F HN 0.402 nan 8.300 nan 0.000 0.442 73 M N 1.889 121.597 119.600 0.181 0.000 2.664 73 M HA 0.527 5.007 4.480 0.000 0.000 0.314 73 M C -0.112 176.271 176.300 0.138 0.000 1.200 73 M CA -0.901 54.474 55.300 0.126 0.000 0.916 73 M CB 2.520 35.175 32.600 0.092 0.000 1.717 73 M HN 0.653 nan 8.290 nan 0.000 0.470 74 T N -2.436 112.183 114.554 0.108 0.000 2.902 74 T HA 0.210 4.560 4.350 0.000 0.000 0.280 74 T C 0.625 175.391 174.700 0.110 0.000 0.992 74 T CA -0.718 61.445 62.100 0.105 0.000 1.015 74 T CB 1.661 70.563 68.868 0.057 0.000 1.044 74 T HN 0.800 nan 8.240 nan 0.000 0.520 75 Q N -0.167 119.674 119.800 0.068 0.000 2.170 75 Q HA -0.160 4.181 4.340 0.000 0.000 0.203 75 Q C 2.080 178.065 176.000 -0.025 0.000 0.976 75 Q CA 1.456 57.227 55.803 -0.054 0.000 0.858 75 Q CB -0.048 28.437 28.738 -0.422 0.000 0.907 75 Q HN 0.898 nan 8.270 nan 0.000 0.433 76 E N 0.230 120.426 120.200 -0.007 0.000 2.051 76 E HA -0.268 4.082 4.350 0.000 0.000 0.192 76 E C 1.986 178.635 176.600 0.081 0.000 0.991 76 E CA 1.324 57.741 56.400 0.028 0.000 0.799 76 E CB -0.033 29.679 29.700 0.020 0.000 0.748 76 E HN 0.430 nan 8.360 nan 0.000 0.449 77 Q N 0.160 120.001 119.800 0.068 0.000 2.226 77 Q HA -0.223 4.117 4.340 0.000 0.000 0.204 77 Q C 1.919 177.995 176.000 0.127 0.000 0.975 77 Q CA 1.404 57.255 55.803 0.080 0.000 0.866 77 Q CB 0.083 28.846 28.738 0.041 0.000 0.915 77 Q HN 0.358 nan 8.270 nan 0.000 0.440 78 Q N -0.410 119.453 119.800 0.105 0.000 2.137 78 Q HA -0.016 4.324 4.340 0.000 0.000 0.198 78 Q C 2.105 178.161 176.000 0.092 0.000 0.960 78 Q CA 0.996 56.858 55.803 0.100 0.000 0.847 78 Q CB -0.017 28.784 28.738 0.104 0.000 0.915 78 Q HN 0.487 nan 8.270 nan 0.000 0.448 79 A N 0.345 123.215 122.820 0.085 0.000 1.902 79 A HA -0.231 4.089 4.320 0.000 0.000 0.217 79 A C 1.874 179.505 177.584 0.078 0.000 1.181 79 A CA 1.279 53.359 52.037 0.070 0.000 0.623 79 A CB -0.885 18.157 19.000 0.071 0.000 0.818 79 A HN 0.495 nan 8.150 nan 0.000 0.443 80 Y N 0.680 120.992 120.300 0.020 0.000 2.128 80 Y HA -0.279 4.271 4.550 0.000 0.000 0.284 80 Y C 2.567 178.464 175.900 -0.005 0.000 1.154 80 Y CA 2.335 60.442 58.100 0.011 0.000 1.149 80 Y CB -0.227 38.241 38.460 0.014 0.000 0.976 80 Y HN 0.272 nan 8.280 nan 0.000 0.505 81 R N -0.843 119.770 120.500 0.187 0.000 2.096 81 R HA -0.146 4.194 4.340 0.000 0.000 0.235 81 R C 2.153 178.443 176.300 -0.017 0.000 1.127 81 R CA 1.549 57.707 56.100 0.097 0.000 0.968 81 R CB -0.659 29.704 30.300 0.106 0.000 0.861 81 R HN 0.270 nan 8.270 nan 0.000 0.440 82 V N 1.243 121.146 119.914 -0.020 0.000 2.270 82 V HA -0.220 3.900 4.120 0.000 0.000 0.245 82 V C 2.282 178.308 176.094 -0.114 0.000 1.043 82 V CA 1.417 63.689 62.300 -0.046 0.000 1.014 82 V CB -0.354 31.456 31.823 -0.020 0.000 0.645 82 V HN 0.248 nan 8.190 nan 0.000 0.447 83 I N 0.385 120.847 120.570 -0.181 0.000 2.264 83 I HA -0.217 3.953 4.170 0.000 0.000 0.248 83 I C 2.514 178.465 176.117 -0.277 0.000 1.111 83 I CA 1.891 63.021 61.300 -0.284 0.000 1.382 83 I CB -1.480 36.269 38.000 -0.419 0.000 1.060 83 I HN 0.368 nan 8.210 nan 0.000 0.418 84 T N 0.451 114.821 114.554 -0.308 0.000 2.674 84 T HA -0.237 4.113 4.350 0.000 0.000 0.265 84 T C 1.988 176.607 174.700 -0.135 0.000 1.039 84 T CA 1.619 63.570 62.100 -0.248 0.000 1.150 84 T CB -0.153 68.578 68.868 -0.228 0.000 0.864 84 T HN 0.287 nan 8.240 nan 0.000 0.427 85 K N 0.223 120.563 120.400 -0.100 0.000 2.097 85 K HA -0.060 4.260 4.320 0.000 0.000 0.206 85 K C 2.185 178.747 176.600 -0.064 0.000 1.049 85 K CA 0.849 57.099 56.287 -0.062 0.000 0.933 85 K CB -0.232 32.242 32.500 -0.043 0.000 0.717 85 K HN 0.107 nan 8.250 nan 0.000 0.442 86 L N 1.456 122.628 121.223 -0.085 0.000 2.017 86 L HA -0.116 4.224 4.340 0.000 0.000 0.208 86 L C 2.175 179.002 176.870 -0.072 0.000 1.073 86 L CA 1.705 56.499 54.840 -0.076 0.000 0.745 86 L CB -0.338 41.658 42.059 -0.105 0.000 0.894 86 L HN 0.103 nan 8.230 nan 0.000 0.432 87 R N -0.684 119.757 120.500 -0.098 0.000 2.237 87 R HA -0.081 4.259 4.340 0.000 0.000 0.219 87 R C 1.626 177.893 176.300 -0.055 0.000 1.080 87 R CA 0.840 56.892 56.100 -0.081 0.000 0.995 87 R CB -0.114 30.122 30.300 -0.106 0.000 0.875 87 R HN 0.506 nan 8.270 nan 0.000 0.462 88 E N 0.248 120.417 120.200 -0.051 0.000 2.489 88 E HA -0.010 4.340 4.350 0.000 0.000 0.193 88 E C 0.005 176.593 176.600 -0.021 0.000 1.057 88 E CA 0.025 56.405 56.400 -0.033 0.000 0.866 88 E CB 0.322 30.003 29.700 -0.032 0.000 0.916 88 E HN 0.209 nan 8.360 nan 0.000 0.500 89 Q N 0.723 120.511 119.800 -0.020 0.000 2.364 89 Q HA 0.034 4.374 4.340 0.000 0.000 0.267 89 Q C -1.617 174.384 176.000 0.001 0.000 0.999 89 Q CA -1.138 54.662 55.803 -0.004 0.000 0.886 89 Q CB 0.420 29.159 28.738 0.003 0.000 1.243 89 Q HN -0.002 nan 8.270 nan 0.000 0.415 90 P HA -0.171 nan 4.420 nan 0.000 0.216 90 P C -0.444 176.861 177.300 0.008 0.000 1.150 90 P CA 1.464 64.569 63.100 0.008 0.000 0.837 90 P CB 0.403 32.111 31.700 0.014 0.000 0.786 91 N N -4.026 114.686 118.700 0.020 0.000 3.039 91 N HA 0.159 4.899 4.740 0.000 0.000 0.257 91 N C -0.236 175.297 175.510 0.037 0.000 1.497 91 N CA -0.703 52.358 53.050 0.018 0.000 0.861 91 N CB -0.123 38.371 38.487 0.011 0.000 1.479 91 N HN -0.415 nan 8.380 nan 0.000 0.547 92 D N -0.380 120.040 120.400 0.032 0.000 2.117 92 D HA -0.038 4.602 4.640 0.000 0.000 0.198 92 D C 1.612 177.982 176.300 0.117 0.000 0.982 92 D CA 0.921 54.955 54.000 0.056 0.000 0.828 92 D CB -0.171 40.647 40.800 0.030 0.000 0.967 92 D HN 0.332 nan 8.370 nan 0.000 0.464 93 L N 1.050 122.341 121.223 0.114 0.000 2.043 93 L HA -0.141 4.199 4.340 0.000 0.000 0.212 93 L C 2.343 179.407 176.870 0.324 0.000 1.075 93 L CA 1.427 56.407 54.840 0.233 0.000 0.752 93 L CB -1.091 41.053 42.059 0.142 0.000 0.891 93 L HN -0.029 nan 8.230 nan 0.000 0.432 94 A N -1.397 121.546 122.820 0.205 0.000 2.015 94 A HA -0.162 4.158 4.320 0.000 0.000 0.219 94 A C 2.457 180.097 177.584 0.093 0.000 1.163 94 A CA 1.164 53.285 52.037 0.141 0.000 0.646 94 A CB -0.404 18.649 19.000 0.088 0.000 0.806 94 A HN 0.358 nan 8.150 nan 0.000 0.448 95 R N -2.377 118.185 120.500 0.103 0.000 2.119 95 R HA -0.050 4.290 4.340 0.000 0.000 0.222 95 R C 2.022 178.383 176.300 0.101 0.000 1.088 95 R CA 1.258 57.401 56.100 0.071 0.000 0.984 95 R CB -0.350 29.985 30.300 0.058 0.000 0.884 95 R HN 0.699 nan 8.270 nan 0.000 0.447 96 Y N 1.425 121.754 120.300 0.049 0.000 2.114 96 Y HA -0.212 4.338 4.550 0.000 0.000 0.284 96 Y C 1.974 177.881 175.900 0.013 0.000 1.143 96 Y CA 1.366 59.500 58.100 0.057 0.000 1.135 96 Y CB -0.130 38.386 38.460 0.093 0.000 0.980 96 Y HN -0.112 nan 8.280 nan 0.000 0.499 97 I N 0.935 121.488 120.570 -0.028 0.000 2.264 97 I HA -0.330 3.840 4.170 0.000 0.000 0.248 97 I C 2.465 178.467 176.117 -0.190 0.000 1.111 97 I CA 1.801 62.978 61.300 -0.205 0.000 1.382 97 I CB -1.374 36.507 38.000 -0.198 0.000 1.060 97 I HN 0.477 nan 8.210 nan 0.000 0.418 98 Q N 0.204 119.942 119.800 -0.102 0.000 2.167 98 Q HA -0.193 4.147 4.340 0.000 0.000 0.202 98 Q C 2.233 178.189 176.000 -0.074 0.000 0.970 98 Q CA 1.128 56.885 55.803 -0.077 0.000 0.855 98 Q CB 0.152 28.867 28.738 -0.039 0.000 0.911 98 Q HN 0.284 nan 8.270 nan 0.000 0.438 99 L N 1.002 122.180 121.223 -0.074 0.000 2.109 99 L HA -0.108 4.232 4.340 0.000 0.000 0.207 99 L C 1.818 178.643 176.870 -0.074 0.000 1.086 99 L CA 1.862 56.718 54.840 0.026 0.000 0.760 99 L CB -0.641 41.466 42.059 0.081 0.000 0.910 99 L HN 0.257 nan 8.230 nan 0.000 0.437 100 D N -1.239 118.978 120.400 -0.306 0.000 2.144 100 D HA -0.132 4.509 4.640 0.000 0.000 0.200 100 D C 2.209 178.336 176.300 -0.288 0.000 0.978 100 D CA 1.231 54.995 54.000 -0.393 0.000 0.833 100 D CB -0.088 40.398 40.800 -0.524 0.000 0.961 100 D HN 0.274 nan 8.370 nan 0.000 0.470 101 G N 0.158 108.832 108.800 -0.211 0.000 2.408 101 G HA2 -0.192 3.768 3.960 0.000 0.000 0.217 101 G HA3 -0.192 3.768 3.960 0.000 0.000 0.217 101 G C 1.493 176.316 174.900 -0.128 0.000 1.150 101 G CA 0.774 45.784 45.100 -0.151 0.000 0.776 101 G HN 0.338 nan 8.290 nan 0.000 0.542 102 L N 0.485 121.652 121.223 -0.093 0.000 2.056 102 L HA 0.008 4.348 4.340 0.000 0.000 0.207 102 L C 2.700 179.498 176.870 -0.119 0.000 1.078 102 L CA 2.486 57.312 54.840 -0.024 0.000 0.749 102 L CB -0.721 41.404 42.059 0.109 0.000 0.901 102 L HN 0.394 nan 8.230 nan 0.000 0.433 103 Q N -0.879 118.667 119.800 -0.424 0.000 2.135 103 Q HA -0.227 4.113 4.340 0.000 0.000 0.204 103 Q C 1.064 176.831 176.000 -0.389 0.000 0.981 103 Q CA 1.935 57.230 55.803 -0.848 0.000 0.856 103 Q CB -0.056 27.806 28.738 -1.461 0.000 0.902 103 Q HN 0.555 nan 8.270 nan 0.000 0.425 104 D N -0.788 119.450 120.400 -0.269 0.000 2.349 104 D HA -0.014 4.627 4.640 0.000 0.000 0.224 104 D C 1.364 177.600 176.300 -0.106 0.000 1.029 104 D CA 0.385 54.285 54.000 -0.166 0.000 0.879 104 D CB 0.169 40.884 40.800 -0.142 0.000 0.906 104 D HN 0.274 nan 8.370 nan 0.000 0.528 105 R N -0.086 120.363 120.500 -0.086 0.000 2.167 105 R HA 0.087 4.427 4.340 0.000 0.000 0.195 105 R C -0.069 176.229 176.300 -0.003 0.000 1.027 105 R CA 0.191 56.268 56.100 -0.038 0.000 1.114 105 R CB 0.625 30.908 30.300 -0.028 0.000 1.075 105 R HN -0.125 nan 8.270 nan 0.000 0.538 106 N N 1.062 119.773 118.700 0.017 0.000 2.653 106 N HA -0.005 4.735 4.740 0.000 0.000 0.261 106 N C -0.515 175.068 175.510 0.122 0.000 1.216 106 N CA -0.045 53.048 53.050 0.072 0.000 0.784 106 N CB 1.559 40.100 38.487 0.090 0.000 1.327 106 N HN 0.219 nan 8.380 nan 0.000 0.539 107 E N 2.091 122.367 120.200 0.127 0.000 2.085 107 E HA -0.173 4.178 4.350 0.000 0.000 0.194 107 E C 0.918 177.753 176.600 0.391 0.000 0.994 107 E CA 1.203 57.727 56.400 0.206 0.000 0.801 107 E CB 0.351 30.178 29.700 0.211 0.000 0.743 107 E HN 0.371 nan 8.360 nan 0.000 0.453 108 K N 0.365 120.988 120.400 0.372 0.000 2.057 108 K HA -0.171 4.149 4.320 0.000 0.000 0.207 108 K C 2.252 178.986 176.600 0.222 0.000 1.049 108 K CA 0.754 57.255 56.287 0.357 0.000 0.931 108 K CB -0.505 32.174 32.500 0.299 0.000 0.714 108 K HN 0.215 nan 8.250 nan 0.000 0.440 109 L N 0.723 122.059 121.223 0.189 0.000 2.093 109 L HA -0.110 4.230 4.340 0.000 0.000 0.208 109 L C 2.196 179.120 176.870 0.089 0.000 1.085 109 L CA 1.342 56.239 54.840 0.096 0.000 0.755 109 L CB -0.696 41.440 42.059 0.127 0.000 0.904 109 L HN 0.071 nan 8.230 nan 0.000 0.435 110 F N -0.424 119.499 119.950 -0.045 0.000 2.095 110 F HA -0.307 4.220 4.527 0.000 0.000 0.298 110 F C 2.032 177.712 175.800 -0.200 0.000 1.104 110 F CA 1.978 59.869 58.000 -0.183 0.000 1.232 110 F CB -0.654 38.136 39.000 -0.350 0.000 0.987 110 F HN 0.166 nan 8.300 nan 0.000 0.475 111 Y N -0.409 119.923 120.300 0.054 0.000 2.373 111 Y HA -0.110 4.440 4.550 0.000 0.000 0.293 111 Y C 2.512 178.370 175.900 -0.071 0.000 1.129 111 Y CA 0.929 59.003 58.100 -0.044 0.000 1.226 111 Y CB -0.417 38.200 38.460 0.261 0.000 1.000 111 Y HN 0.013 nan 8.280 nan 0.000 0.549 112 R N 0.699 121.241 120.500 0.070 0.000 2.081 112 R HA -0.116 4.224 4.340 0.000 0.000 0.235 112 R C 1.766 178.042 176.300 -0.040 0.000 1.131 112 R CA 1.800 57.892 56.100 -0.014 0.000 0.960 112 R CB -1.124 29.136 30.300 -0.067 0.000 0.856 112 R HN 0.176 nan 8.270 nan 0.000 0.436 113 V N -0.237 119.642 119.914 -0.057 0.000 2.283 113 V HA -0.161 3.959 4.120 0.000 0.000 0.243 113 V C 2.371 178.446 176.094 -0.031 0.000 1.039 113 V CA 1.685 63.980 62.300 -0.008 0.000 1.016 113 V CB -0.431 31.361 31.823 -0.053 0.000 0.650 113 V HN 0.186 nan 8.190 nan 0.000 0.449 114 V N -0.810 118.970 119.914 -0.224 0.000 2.343 114 V HA -0.294 3.826 4.120 0.000 0.000 0.247 114 V C 2.524 178.573 176.094 -0.074 0.000 1.051 114 V CA 2.299 64.480 62.300 -0.200 0.000 1.036 114 V CB -0.699 30.880 31.823 -0.406 0.000 0.654 114 V HN 0.655 nan 8.190 nan 0.000 0.451 115 C N -0.190 119.080 119.300 -0.049 0.000 2.435 115 C HA -0.118 4.342 4.460 0.000 0.000 0.279 115 C C 2.424 177.357 174.990 -0.094 0.000 1.321 115 C CA 0.710 59.709 59.018 -0.031 0.000 1.752 115 C CB -1.021 26.722 27.740 0.006 0.000 1.959 115 C HN 0.589 nan 8.230 nan 0.000 0.500 116 D N -0.808 119.492 120.400 -0.168 0.000 2.194 116 D HA -0.019 4.621 4.640 0.000 0.000 0.204 116 D C 0.972 176.928 176.300 -0.573 0.000 0.964 116 D CA 1.076 54.852 54.000 -0.374 0.000 0.846 116 D CB -0.224 40.277 40.800 -0.498 0.000 0.962 116 D HN 0.593 nan 8.370 nan 0.000 0.490 117 H N 0.178 119.223 119.070 -0.042 0.000 2.500 117 H HA 0.167 4.723 4.556 0.000 0.000 0.243 117 H C 1.434 176.743 175.328 -0.032 0.000 1.318 117 H CA -0.239 55.788 56.048 -0.035 0.000 1.077 117 H CB 0.636 30.370 29.762 -0.047 0.000 1.748 117 H HN -0.123 nan 8.280 nan 0.000 0.556 118 V N 1.599 121.520 119.914 0.013 0.000 2.255 118 V HA -0.279 3.841 4.120 0.000 0.000 0.247 118 V C 2.451 178.560 176.094 0.025 0.000 1.051 118 V CA 2.278 64.585 62.300 0.012 0.000 1.018 118 V CB -0.139 31.677 31.823 -0.010 0.000 0.641 118 V HN 0.399 nan 8.190 nan 0.000 0.445 119 K N -0.581 119.835 120.400 0.028 0.000 2.152 119 K HA -0.262 4.058 4.320 0.000 0.000 0.206 119 K C 2.212 178.835 176.600 0.038 0.000 1.048 119 K CA 2.169 58.475 56.287 0.031 0.000 0.933 119 K CB -0.222 32.302 32.500 0.039 0.000 0.721 119 K HN 0.748 nan 8.250 nan 0.000 0.447 120 E N 0.069 120.300 120.200 0.052 0.000 2.122 120 E HA -0.089 4.261 4.350 0.000 0.000 0.190 120 E C 1.761 178.383 176.600 0.037 0.000 0.977 120 E CA 0.602 57.028 56.400 0.043 0.000 0.820 120 E CB 0.194 29.923 29.700 0.049 0.000 0.770 120 E HN 0.322 nan 8.360 nan 0.000 0.462 121 L N 0.263 121.514 121.223 0.045 0.000 2.463 121 L HA 0.131 4.471 4.340 0.000 0.000 0.219 121 L C 2.520 179.428 176.870 0.063 0.000 1.088 121 L CA -0.086 54.778 54.840 0.040 0.000 0.849 121 L CB -0.166 41.900 42.059 0.012 0.000 1.012 121 L HN 0.220 nan 8.230 nan 0.000 0.468 122 M N 1.674 121.311 119.600 0.061 0.000 2.106 122 M HA -0.143 4.338 4.480 0.000 0.000 0.259 122 M C -0.731 175.645 176.300 0.126 0.000 1.068 122 M CA 2.239 57.595 55.300 0.093 0.000 1.100 122 M CB -0.714 31.923 32.600 0.061 0.000 1.351 122 M HN -0.010 nan 8.290 nan 0.000 0.404 123 P HA -0.063 nan 4.420 nan 0.000 0.237 123 P C 1.199 178.549 177.300 0.083 0.000 1.178 123 P CA 0.961 64.104 63.100 0.071 0.000 0.766 123 P CB -0.196 31.521 31.700 0.029 0.000 0.876 124 I N -0.777 119.862 120.570 0.115 0.000 2.512 124 I HA -0.071 4.099 4.170 0.000 0.000 0.247 124 I C 2.509 178.793 176.117 0.278 0.000 1.094 124 I CA 0.802 62.198 61.300 0.160 0.000 1.427 124 I CB -1.340 36.739 38.000 0.133 0.000 1.149 124 I HN -0.167 nan 8.210 nan 0.000 0.438 125 V N 0.130 120.200 119.914 0.261 0.000 2.407 125 V HA -0.253 3.867 4.120 0.000 0.000 0.248 125 V C 1.691 178.049 176.094 0.439 0.000 1.055 125 V CA 1.945 64.452 62.300 0.346 0.000 1.049 125 V CB -0.655 31.333 31.823 0.276 0.000 0.662 125 V HN 0.407 nan 8.190 nan 0.000 0.455 126 Y N -0.949 119.456 120.300 0.175 0.000 2.264 126 Y HA 0.219 4.769 4.550 0.000 0.000 0.090 126 Y C 1.963 177.909 175.900 0.076 0.000 1.174 126 Y CA 0.628 58.808 58.100 0.133 0.000 1.723 126 Y CB 0.096 38.645 38.460 0.148 0.000 1.091 126 Y HN 0.115 nan 8.280 nan 0.000 0.216 127 T N 1.666 116.265 114.554 0.074 0.000 7.103 127 T HA -0.278 4.072 4.350 0.000 0.000 0.229 127 T C -1.387 173.197 174.700 -0.194 0.000 1.666 127 T CA 2.840 64.913 62.100 -0.044 0.000 1.411 127 T CB -2.516 66.396 68.868 0.073 0.000 1.637 127 T HN 0.586 nan 8.240 nan 0.000 0.518 128 P HA 0.222 nan 4.420 nan 0.000 0.238 128 P C 1.364 178.574 177.300 -0.150 0.000 1.153 128 P CA 1.155 64.172 63.100 -0.138 0.000 0.900 128 P CB 0.027 31.671 31.700 -0.094 0.000 1.009 129 T N 0.795 115.281 114.554 -0.112 0.000 2.788 129 T HA -0.100 4.250 4.350 0.000 0.000 0.268 129 T C 1.903 176.433 174.700 -0.283 0.000 1.044 129 T CA 1.129 63.147 62.100 -0.137 0.000 1.139 129 T CB -1.068 67.778 68.868 -0.037 0.000 0.867 129 T HN -0.134 nan 8.240 nan 0.000 0.454 130 V N 1.727 121.474 119.914 -0.279 0.000 2.332 130 V HA -0.127 3.994 4.120 0.000 0.000 0.248 130 V C 2.585 178.473 176.094 -0.343 0.000 1.055 130 V CA 2.400 64.460 62.300 -0.401 0.000 1.038 130 V CB -1.102 30.651 31.823 -0.117 0.000 0.651 130 V HN 0.592 nan 8.190 nan 0.000 0.450 131 G N -0.678 107.960 108.800 -0.270 0.000 2.408 131 G HA2 -0.227 3.733 3.960 0.000 0.000 0.217 131 G HA3 -0.227 3.733 3.960 0.000 0.000 0.217 131 G C 1.499 176.284 174.900 -0.191 0.000 1.150 131 G CA 1.004 45.983 45.100 -0.201 0.000 0.776 131 G HN 0.502 nan 8.290 nan 0.000 0.542 132 L N 1.290 122.383 121.223 -0.218 0.000 2.093 132 L HA 0.238 4.578 4.340 0.000 0.000 0.208 132 L C 3.028 179.740 176.870 -0.264 0.000 1.085 132 L CA 1.913 56.624 54.840 -0.216 0.000 0.755 132 L CB -0.665 41.274 42.059 -0.200 0.000 0.904 132 L HN 0.217 nan 8.230 nan 0.000 0.435 133 A N -1.313 121.326 122.820 -0.301 0.000 1.902 133 A HA -0.241 4.079 4.320 0.000 0.000 0.217 133 A C 2.382 179.925 177.584 -0.069 0.000 1.181 133 A CA 1.860 53.791 52.037 -0.177 0.000 0.623 133 A CB -1.453 17.255 19.000 -0.488 0.000 0.818 133 A HN 0.621 nan 8.150 nan 0.000 0.443 134 C N -1.087 118.138 119.300 -0.125 0.000 2.429 134 C HA -0.103 4.357 4.460 0.000 0.000 0.277 134 C C 2.830 177.757 174.990 -0.104 0.000 1.262 134 C CA 1.228 60.215 59.018 -0.053 0.000 1.733 134 C CB -1.252 26.490 27.740 0.004 0.000 2.010 134 C HN 0.777 nan 8.230 nan 0.000 0.483 135 Q N 0.933 120.662 119.800 -0.118 0.000 2.083 135 Q HA -0.129 4.211 4.340 0.000 0.000 0.198 135 Q C 1.855 177.740 176.000 -0.192 0.000 0.969 135 Q CA 1.483 57.219 55.803 -0.112 0.000 0.838 135 Q CB -0.164 28.511 28.738 -0.106 0.000 0.900 135 Q HN 0.753 nan 8.270 nan 0.000 0.436 136 N N -1.028 117.495 118.700 -0.294 0.000 2.251 136 N HA -0.032 4.708 4.740 0.000 0.000 0.181 136 N C 1.509 176.770 175.510 -0.416 0.000 1.019 136 N CA 0.747 53.553 53.050 -0.405 0.000 0.862 136 N CB 0.017 38.147 38.487 -0.595 0.000 0.992 136 N HN 0.167 nan 8.380 nan 0.000 0.429 137 F N 1.011 120.829 119.950 -0.220 0.000 2.367 137 F HA 0.120 4.647 4.527 0.000 0.000 0.298 137 F C 2.019 177.606 175.800 -0.355 0.000 1.094 137 F CA 0.388 58.243 58.000 -0.242 0.000 1.409 137 F CB -0.130 38.752 39.000 -0.197 0.000 1.064 137 F HN 0.081 nan 8.300 nan 0.000 0.528 138 G N 0.142 108.688 108.800 -0.422 0.000 2.523 138 G HA2 -0.382 3.578 3.960 0.000 0.000 0.271 138 G HA3 -0.382 3.578 3.960 0.000 0.000 0.271 138 G C -0.610 173.904 174.900 -0.643 0.000 1.146 138 G CA 0.034 44.503 45.100 -1.051 0.000 0.961 138 G HN 0.216 nan 8.290 nan 0.000 0.549 139 Y N 2.254 122.402 120.300 -0.253 0.000 2.402 139 Y HA 0.621 5.171 4.550 0.000 0.000 0.333 139 Y C 0.815 176.592 175.900 -0.205 0.000 1.076 139 Y CA -0.748 57.333 58.100 -0.032 0.000 1.299 139 Y CB 0.082 38.586 38.460 0.072 0.000 1.197 139 Y HN 0.476 nan 8.280 nan 0.000 0.517 140 I N 7.535 127.708 120.570 -0.662 0.000 2.377 140 I HA 0.181 4.351 4.170 0.000 0.000 0.293 140 I C -0.844 174.775 176.117 -0.830 0.000 0.987 140 I CA -0.982 59.916 61.300 -0.671 0.000 1.185 140 I CB 1.003 38.807 38.000 -0.326 0.000 1.341 140 I HN 0.528 nan 8.210 nan 0.000 0.455 141 Y N 6.585 126.599 120.300 -0.477 0.000 2.496 141 Y HA 0.351 4.901 4.550 0.000 0.000 0.334 141 Y C 0.639 176.397 175.900 -0.238 0.000 1.080 141 Y CA -0.325 57.572 58.100 -0.339 0.000 1.355 141 Y CB 0.325 38.674 38.460 -0.185 0.000 1.193 141 Y HN 0.559 nan 8.280 nan 0.000 0.523 142 R N 1.065 121.554 120.500 -0.018 0.000 2.728 142 R HA 0.455 4.795 4.340 0.000 0.000 0.274 142 R C -1.603 174.705 176.300 0.014 0.000 1.030 142 R CA -1.395 54.688 56.100 -0.028 0.000 0.876 142 R CB 1.196 31.456 30.300 -0.067 0.000 1.259 142 R HN 0.354 nan 8.270 nan 0.000 0.468 143 K N 0.646 121.039 120.400 -0.013 0.000 2.276 143 K HA 0.204 4.524 4.320 0.000 0.000 0.259 143 K C -2.200 174.431 176.600 0.052 0.000 1.001 143 K CA -1.436 54.846 56.287 -0.007 0.000 0.927 143 K CB 0.307 32.770 32.500 -0.063 0.000 0.969 143 K HN 0.337 nan 8.250 nan 0.000 0.490 144 P HA 0.000 nan 4.420 nan 0.000 0.268 144 P C -0.592 176.874 177.300 0.278 0.000 1.282 144 P CA 0.304 63.523 63.100 0.199 0.000 0.880 144 P CB 0.001 31.819 31.700 0.196 0.000 0.971 145 K N 1.932 122.509 120.400 0.294 0.000 2.478 145 K HA 0.529 4.849 4.320 0.000 0.000 0.205 145 K C 0.470 177.294 176.600 0.373 0.000 1.033 145 K CA -0.623 55.888 56.287 0.375 0.000 1.091 145 K CB 0.731 33.325 32.500 0.157 0.000 0.844 145 K HN 0.374 nan 8.250 nan 0.000 0.507 146 G N 0.816 109.794 108.800 0.297 0.000 2.600 146 G HA2 0.550 4.510 3.960 0.000 0.000 0.293 146 G HA3 0.550 4.510 3.960 0.000 0.000 0.293 146 G C -1.984 172.869 174.900 -0.078 0.000 1.408 146 G CA -0.970 44.089 45.100 -0.068 0.000 0.782 146 G HN 0.055 nan 8.290 nan 0.000 0.482 147 L N -0.010 121.042 121.223 -0.285 0.000 2.386 147 L HA 0.493 4.833 4.340 0.000 0.000 0.271 147 L C -1.318 175.413 176.870 -0.232 0.000 0.993 147 L CA -0.913 53.840 54.840 -0.145 0.000 0.819 147 L CB 2.289 44.252 42.059 -0.159 0.000 1.294 147 L HN 0.519 nan 8.230 nan 0.000 0.414 148 Y N 3.641 123.932 120.300 -0.015 0.000 2.328 148 Y HA 0.552 5.102 4.550 0.000 0.000 0.337 148 Y C 0.015 175.894 175.900 -0.034 0.000 1.008 148 Y CA -0.392 57.685 58.100 -0.038 0.000 1.129 148 Y CB 1.258 39.700 38.460 -0.029 0.000 1.185 148 Y HN 0.310 nan 8.280 nan 0.000 0.476 149 I N 3.634 124.242 120.570 0.064 0.000 2.447 149 I HA 0.343 4.513 4.170 0.000 0.000 0.287 149 I C -0.041 176.086 176.117 0.017 0.000 1.023 149 I CA -0.595 60.729 61.300 0.039 0.000 1.083 149 I CB 1.960 39.970 38.000 0.016 0.000 1.245 149 I HN 0.654 nan 8.210 nan 0.000 0.434 150 T N 2.068 116.643 114.554 0.035 0.000 2.937 150 T HA 0.376 4.726 4.350 0.000 0.000 0.283 150 T C 0.794 175.518 174.700 0.039 0.000 1.012 150 T CA -0.583 61.535 62.100 0.030 0.000 0.997 150 T CB 1.625 70.511 68.868 0.029 0.000 1.136 150 T HN 0.415 nan 8.240 nan 0.000 0.551 151 I N 0.979 121.586 120.570 0.063 0.000 2.916 151 I HA 0.011 4.181 4.170 0.000 0.000 0.267 151 I C 1.320 177.478 176.117 0.068 0.000 1.263 151 I CA 1.037 62.384 61.300 0.078 0.000 1.471 151 I CB -0.628 37.449 38.000 0.129 0.000 1.089 151 I HN 0.541 nan 8.210 nan 0.000 0.468 152 N N 0.422 119.160 118.700 0.064 0.000 2.336 152 N HA 0.029 4.770 4.740 0.000 0.000 0.189 152 N C 0.014 175.549 175.510 0.043 0.000 1.113 152 N CA 0.472 53.553 53.050 0.052 0.000 0.858 152 N CB 0.049 38.565 38.487 0.049 0.000 0.970 152 N HN 0.384 nan 8.380 nan 0.000 0.471 153 D N -0.047 120.380 120.400 0.045 0.000 2.772 153 D HA 0.029 4.669 4.640 0.000 0.000 0.272 153 D C -0.162 176.169 176.300 0.052 0.000 1.314 153 D CA -0.165 53.864 54.000 0.048 0.000 0.835 153 D CB -0.260 40.572 40.800 0.054 0.000 1.080 153 D HN -0.069 nan 8.370 nan 0.000 0.482 154 N N 1.973 120.702 118.700 0.048 0.000 2.971 154 N HA -0.003 4.737 4.740 0.000 0.000 0.294 154 N C -0.924 174.615 175.510 0.047 0.000 1.210 154 N CA 0.182 53.261 53.050 0.049 0.000 1.157 154 N CB -0.295 38.220 38.487 0.047 0.000 1.450 154 N HN 0.070 nan 8.380 nan 0.000 0.527 155 S N -1.028 114.702 115.700 0.051 0.000 2.565 155 S HA 0.203 4.673 4.470 0.000 0.000 0.274 155 S C 0.829 175.458 174.600 0.050 0.000 1.144 155 S CA -0.781 57.446 58.200 0.044 0.000 0.849 155 S CB 0.615 63.835 63.200 0.034 0.000 1.103 155 S HN -0.136 nan 8.310 nan 0.000 0.455 156 V N 2.619 122.557 119.914 0.039 0.000 2.324 156 V HA -0.162 3.958 4.120 0.000 0.000 0.250 156 V C 2.684 178.814 176.094 0.059 0.000 1.060 156 V CA 2.752 65.076 62.300 0.039 0.000 1.042 156 V CB -1.207 30.624 31.823 0.014 0.000 0.650 156 V HN 0.918 nan 8.190 nan 0.000 0.450 157 S N -0.819 114.900 115.700 0.032 0.000 2.368 157 S HA -0.164 4.306 4.470 0.000 0.000 0.224 157 S C 1.966 176.620 174.600 0.090 0.000 1.029 157 S CA 1.314 59.537 58.200 0.038 0.000 0.988 157 S CB -0.228 62.968 63.200 -0.007 0.000 0.838 157 S HN 0.597 nan 8.310 nan 0.000 0.462 158 K N 0.847 121.288 120.400 0.069 0.000 2.097 158 K HA 0.018 4.338 4.320 0.000 0.000 0.206 158 K C 1.870 178.522 176.600 0.088 0.000 1.049 158 K CA 1.135 57.465 56.287 0.072 0.000 0.933 158 K CB -0.270 32.263 32.500 0.056 0.000 0.717 158 K HN 0.351 nan 8.250 nan 0.000 0.442 159 I N -0.420 120.206 120.570 0.095 0.000 2.353 159 I HA -0.240 3.931 4.170 0.000 0.000 0.248 159 I C 2.179 178.343 176.117 0.078 0.000 1.119 159 I CA 0.876 62.231 61.300 0.091 0.000 1.417 159 I CB -0.209 37.850 38.000 0.098 0.000 1.078 159 I HN 0.106 nan 8.210 nan 0.000 0.421 160 Y N 1.905 122.186 120.300 -0.030 0.000 2.165 160 Y HA -0.322 4.228 4.550 0.000 0.000 0.286 160 Y C 2.728 178.610 175.900 -0.031 0.000 1.155 160 Y CA 1.707 59.770 58.100 -0.062 0.000 1.164 160 Y CB -0.033 38.387 38.460 -0.067 0.000 0.978 160 Y HN 0.155 nan 8.280 nan 0.000 0.513 161 Q N 0.032 119.942 119.800 0.183 0.000 2.170 161 Q HA -0.146 4.194 4.340 0.000 0.000 0.203 161 Q C 2.408 178.446 176.000 0.064 0.000 0.976 161 Q CA 1.695 57.570 55.803 0.120 0.000 0.858 161 Q CB -0.355 28.449 28.738 0.109 0.000 0.907 161 Q HN 0.621 nan 8.270 nan 0.000 0.433 162 I N 0.128 120.734 120.570 0.060 0.000 2.286 162 I HA -0.237 3.933 4.170 0.000 0.000 0.245 162 I C 2.106 178.257 176.117 0.057 0.000 1.104 162 I CA 0.707 62.048 61.300 0.069 0.000 1.397 162 I CB -0.228 37.818 38.000 0.076 0.000 1.072 162 I HN 0.118 nan 8.210 nan 0.000 0.417 163 L N -0.091 121.123 121.223 -0.014 0.000 2.131 163 L HA -0.164 4.176 4.340 0.000 0.000 0.210 163 L C 2.498 179.364 176.870 -0.006 0.000 1.092 163 L CA 1.016 55.838 54.840 -0.030 0.000 0.759 163 L CB -0.542 41.405 42.059 -0.187 0.000 0.903 163 L HN 0.159 nan 8.230 nan 0.000 0.435 164 S N -0.077 115.564 115.700 -0.099 0.000 2.474 164 S HA -0.066 4.404 4.470 0.000 0.000 0.235 164 S C 1.456 176.097 174.600 0.067 0.000 0.997 164 S CA 0.675 58.843 58.200 -0.053 0.000 0.949 164 S CB -0.257 62.916 63.200 -0.046 0.000 0.766 164 S HN 0.459 nan 8.310 nan 0.000 0.517 165 N N 0.182 118.950 118.700 0.114 0.000 2.398 165 N HA 0.028 4.768 4.740 0.000 0.000 0.188 165 N C 0.010 175.655 175.510 0.224 0.000 1.122 165 N CA 0.029 53.169 53.050 0.149 0.000 0.866 165 N CB 0.044 38.620 38.487 0.149 0.000 0.970 165 N HN 0.559 nan 8.380 nan 0.000 0.462 166 W N 2.826 124.115 121.300 -0.019 0.000 2.202 166 W HA 0.005 4.666 4.660 0.000 0.000 0.332 166 W C 1.057 177.508 176.519 -0.113 0.000 1.263 166 W CA -0.195 57.067 57.345 -0.139 0.000 1.223 166 W CB 0.544 29.915 29.460 -0.148 0.000 1.128 166 W HN 0.258 nan 8.180 nan 0.000 0.573 167 H N 1.425 120.117 119.070 -0.631 0.000 2.555 167 H HA 0.149 4.705 4.556 0.000 0.000 0.269 167 H C -0.164 174.977 175.328 -0.311 0.000 0.988 167 H CA 0.443 56.222 56.048 -0.448 0.000 1.178 167 H CB 0.179 29.635 29.762 -0.510 0.000 1.373 167 H HN 0.220 nan 8.280 nan 0.000 0.588 168 E N 1.117 121.106 120.200 -0.352 0.000 2.222 168 E HA 0.162 4.512 4.350 0.000 0.000 0.267 168 E C 0.068 176.795 176.600 0.212 0.000 0.884 168 E CA -0.379 56.026 56.400 0.007 0.000 0.764 168 E CB 2.774 32.517 29.700 0.071 0.000 1.169 168 E HN 0.116 nan 8.360 nan 0.000 0.413 169 E N 0.976 121.293 120.200 0.195 0.000 2.216 169 E HA -0.052 4.298 4.350 0.000 0.000 0.192 169 E C 0.032 176.805 176.600 0.287 0.000 0.973 169 E CA 0.400 56.952 56.400 0.254 0.000 0.851 169 E CB 0.310 30.104 29.700 0.157 0.000 0.804 169 E HN 0.235 nan 8.360 nan 0.000 0.477 170 D N 0.434 120.961 120.400 0.211 0.000 2.994 170 D HA 0.039 4.679 4.640 0.000 0.000 0.240 170 D C -0.951 175.416 176.300 0.111 0.000 1.195 170 D CA -0.121 53.983 54.000 0.173 0.000 0.957 170 D CB -0.167 40.764 40.800 0.218 0.000 1.105 170 D HN -0.162 nan 8.370 nan 0.000 0.477 171 V N 2.125 121.981 119.914 -0.096 0.000 2.555 171 V HA 0.233 4.353 4.120 0.000 0.000 0.286 171 V C 1.508 177.405 176.094 -0.328 0.000 1.044 171 V CA 0.168 62.243 62.300 -0.376 0.000 1.026 171 V CB 1.353 32.431 31.823 -1.242 0.000 0.981 171 V HN 0.341 nan 8.190 nan 0.000 0.480 172 R N 2.721 123.104 120.500 -0.195 0.000 2.556 172 R HA 0.489 4.829 4.340 0.000 0.000 0.276 172 R C 0.099 176.348 176.300 -0.085 0.000 0.931 172 R CA 0.243 56.218 56.100 -0.208 0.000 1.061 172 R CB 1.226 31.256 30.300 -0.451 0.000 1.432 172 R HN 0.646 nan 8.270 nan 0.000 0.547 173 A N 1.658 124.453 122.820 -0.041 0.000 2.381 173 A HA 0.660 4.980 4.320 0.000 0.000 0.299 173 A C -0.922 176.582 177.584 -0.133 0.000 1.049 173 A CA -0.524 51.518 52.037 0.008 0.000 0.715 173 A CB 1.151 20.259 19.000 0.179 0.000 1.222 173 A HN 0.088 nan 8.150 nan 0.000 0.428 174 I N 2.345 122.829 120.570 -0.144 0.000 2.465 174 I HA 0.452 4.622 4.170 0.000 0.000 0.291 174 I C -0.850 175.145 176.117 -0.203 0.000 1.014 174 I CA -0.997 60.179 61.300 -0.206 0.000 1.093 174 I CB 2.255 40.153 38.000 -0.171 0.000 1.267 174 I HN 0.318 nan 8.210 nan 0.000 0.431 175 V N 7.001 126.754 119.914 -0.270 0.000 2.378 175 V HA 0.424 4.544 4.120 0.000 0.000 0.288 175 V C -0.342 175.605 176.094 -0.246 0.000 1.016 175 V CA -0.636 61.503 62.300 -0.268 0.000 0.840 175 V CB 2.106 33.726 31.823 -0.338 0.000 0.994 175 V HN 0.475 nan 8.190 nan 0.000 0.431 176 V N 4.941 124.698 119.914 -0.261 0.000 2.715 176 V HA 0.877 4.997 4.120 0.000 0.000 0.310 176 V C -0.283 175.707 176.094 -0.174 0.000 1.054 176 V CA 0.140 62.248 62.300 -0.320 0.000 0.928 176 V CB 2.516 34.004 31.823 -0.560 0.000 1.007 176 V HN 0.964 nan 8.190 nan 0.000 0.437 177 T N 2.435 116.827 114.554 -0.271 0.000 2.894 177 T HA 0.428 4.778 4.350 0.000 0.000 0.309 177 T C -0.513 173.816 174.700 -0.619 0.000 1.208 177 T CA 0.132 61.978 62.100 -0.424 0.000 1.016 177 T CB 1.703 70.415 68.868 -0.259 0.000 1.192 177 T HN 0.935 nan 8.240 nan 0.000 0.491 178 D N 0.620 120.447 120.400 -0.955 0.000 2.398 178 D HA 0.243 4.883 4.640 0.000 0.000 0.210 178 D C 1.452 177.563 176.300 -0.315 0.000 1.094 178 D CA 0.690 54.369 54.000 -0.535 0.000 0.839 178 D CB -0.268 40.272 40.800 -0.434 0.000 0.963 178 D HN 1.077 nan 8.370 nan 0.000 0.506 179 G N 1.261 109.870 108.800 -0.318 0.000 2.166 179 G HA2 -0.444 3.516 3.960 0.000 0.000 0.260 179 G HA3 -0.444 3.516 3.960 0.000 0.000 0.260 179 G C 0.805 175.635 174.900 -0.116 0.000 0.986 179 G CA 0.772 45.776 45.100 -0.159 0.000 0.683 179 G HN 0.519 nan 8.290 nan 0.000 0.527 180 E N -0.262 119.852 120.200 -0.144 0.000 2.107 180 E HA -0.020 4.330 4.350 0.000 0.000 0.191 180 E C 1.744 178.314 176.600 -0.050 0.000 0.982 180 E CA 0.680 57.032 56.400 -0.079 0.000 0.809 180 E CB 0.016 29.678 29.700 -0.063 0.000 0.756 180 E HN 0.375 nan 8.360 nan 0.000 0.459 181 R N 1.225 121.699 120.500 -0.044 0.000 2.748 181 R HA 0.256 4.596 4.340 0.000 0.000 0.283 181 R C -0.983 175.309 176.300 -0.015 0.000 1.507 181 R CA -0.339 55.753 56.100 -0.014 0.000 1.666 181 R CB 0.004 30.318 30.300 0.023 0.000 1.237 181 R HN 0.138 nan 8.270 nan 0.000 0.633 182 I N 2.809 123.359 120.570 -0.033 0.000 2.598 182 I HA -0.072 4.098 4.170 0.000 0.000 0.284 182 I C 0.731 176.821 176.117 -0.045 0.000 1.140 182 I CA -0.370 60.905 61.300 -0.041 0.000 1.420 182 I CB 0.473 38.443 38.000 -0.049 0.000 1.387 182 I HN 0.235 nan 8.210 nan 0.000 0.553 183 L N 7.837 129.030 121.223 -0.049 0.000 2.771 183 L HA 0.004 4.344 4.340 0.000 0.000 0.278 183 L C 1.195 178.025 176.870 -0.067 0.000 1.175 183 L CA 1.508 56.318 54.840 -0.050 0.000 0.973 183 L CB -0.610 41.413 42.059 -0.058 0.000 1.286 183 L HN 0.923 nan 8.230 nan 0.000 0.481 184 G N 3.314 112.085 108.800 -0.048 0.000 2.179 184 G HA2 -0.292 3.668 3.960 0.000 0.000 0.260 184 G HA3 -0.292 3.668 3.960 0.000 0.000 0.260 184 G C 0.686 175.552 174.900 -0.057 0.000 0.977 184 G CA 0.487 45.555 45.100 -0.053 0.000 0.641 184 G HN 0.605 nan 8.290 nan 0.000 0.533 185 L N -1.072 120.118 121.223 -0.056 0.000 3.017 185 L HA 0.519 4.859 4.340 0.000 0.000 0.265 185 L C 1.735 178.579 176.870 -0.043 0.000 1.128 185 L CA 0.511 55.319 54.840 -0.054 0.000 0.984 185 L CB 0.263 42.283 42.059 -0.065 0.000 1.464 185 L HN 1.240 nan 8.230 nan 0.000 0.556 186 G N 1.138 109.916 108.800 -0.038 0.000 2.513 186 G HA2 -0.257 3.703 3.960 0.000 0.000 0.227 186 G HA3 -0.257 3.703 3.960 0.000 0.000 0.227 186 G C -0.904 173.975 174.900 -0.035 0.000 1.176 186 G CA -0.029 45.051 45.100 -0.033 0.000 0.967 186 G HN 0.160 nan 8.290 nan 0.000 0.587 187 D N 1.470 121.847 120.400 -0.039 0.000 2.380 187 D HA 0.523 5.163 4.640 0.000 0.000 0.230 187 D C 1.237 177.514 176.300 -0.039 0.000 1.154 187 D CA -0.234 53.739 54.000 -0.044 0.000 0.859 187 D CB 0.382 41.151 40.800 -0.053 0.000 1.045 187 D HN 0.395 nan 8.370 nan 0.000 0.495 188 L N 3.227 124.444 121.223 -0.010 0.000 2.857 188 L HA 0.308 4.648 4.340 0.000 0.000 0.249 188 L C 1.671 178.580 176.870 0.065 0.000 1.172 188 L CA -0.216 54.653 54.840 0.048 0.000 0.980 188 L CB -0.072 42.052 42.059 0.109 0.000 1.299 188 L HN 0.606 nan 8.230 nan 0.000 0.535 189 G N 1.354 110.161 108.800 0.013 0.000 2.602 189 G HA2 -0.455 3.505 3.960 0.000 0.000 0.306 189 G HA3 -0.455 3.505 3.960 0.000 0.000 0.306 189 G C 1.038 176.006 174.900 0.115 0.000 1.301 189 G CA 0.528 45.669 45.100 0.069 0.000 0.974 189 G HN 0.360 nan 8.290 nan 0.000 0.547 190 A N -1.274 121.627 122.820 0.135 0.000 2.131 190 A HA 0.064 4.384 4.320 0.000 0.000 0.220 190 A C 2.005 179.741 177.584 0.254 0.000 1.158 190 A CA 2.204 54.308 52.037 0.111 0.000 0.665 190 A CB -0.483 18.445 19.000 -0.120 0.000 0.795 190 A HN 0.731 nan 8.150 nan 0.000 0.460 191 Y N -0.800 119.652 120.300 0.254 0.000 2.571 191 Y HA -0.028 4.523 4.550 0.000 0.000 0.294 191 Y C 2.392 178.364 175.900 0.119 0.000 1.141 191 Y CA -0.094 58.129 58.100 0.205 0.000 1.308 191 Y CB 0.032 38.608 38.460 0.192 0.000 1.002 191 Y HN 0.458 nan 8.280 nan 0.000 0.551 192 G N -0.088 108.841 108.800 0.215 0.000 2.848 192 G HA2 -0.175 3.785 3.960 0.000 0.000 0.208 192 G HA3 -0.175 3.785 3.960 0.000 0.000 0.208 192 G C 1.368 176.290 174.900 0.036 0.000 1.152 192 G CA 0.045 45.198 45.100 0.088 0.000 0.789 192 G HN 0.440 nan 8.290 nan 0.000 0.531 193 I N 1.267 121.865 120.570 0.048 0.000 2.530 193 I HA -0.040 4.130 4.170 0.000 0.000 0.257 193 I C 2.537 178.653 176.117 -0.002 0.000 1.179 193 I CA 1.370 62.636 61.300 -0.058 0.000 1.440 193 I CB 0.025 37.947 38.000 -0.130 0.000 1.087 193 I HN 0.093 nan 8.210 nan 0.000 0.440 194 G N 0.565 109.409 108.800 0.074 0.000 2.448 194 G HA2 -0.154 3.806 3.960 0.000 0.000 0.218 194 G HA3 -0.154 3.806 3.960 0.000 0.000 0.218 194 G C 1.484 176.468 174.900 0.139 0.000 1.135 194 G CA 0.564 45.739 45.100 0.126 0.000 0.784 194 G HN 0.335 nan 8.290 nan 0.000 0.543 195 I N 1.970 122.599 120.570 0.100 0.000 2.099 195 I HA -0.079 4.091 4.170 0.000 0.000 0.239 195 I C 0.039 176.257 176.117 0.168 0.000 1.066 195 I CA 1.049 62.455 61.300 0.177 0.000 1.324 195 I CB -2.037 36.017 38.000 0.089 0.000 1.037 195 I HN 0.082 nan 8.210 nan 0.000 0.401 196 P HA -0.090 nan 4.420 nan 0.000 0.215 196 P C 2.287 179.535 177.300 -0.086 0.000 1.157 196 P CA 1.132 64.178 63.100 -0.090 0.000 0.868 196 P CB 0.002 31.607 31.700 -0.157 0.000 0.788 197 V N 0.152 120.050 119.914 -0.027 0.000 2.252 197 V HA -0.242 3.878 4.120 0.000 0.000 0.249 197 V C 2.612 178.735 176.094 0.048 0.000 1.056 197 V CA 2.641 64.941 62.300 0.001 0.000 1.022 197 V CB -1.972 29.873 31.823 0.036 0.000 0.641 197 V HN 0.195 nan 8.190 nan 0.000 0.445 198 G N -0.560 108.331 108.800 0.152 0.000 2.418 198 G HA2 -0.324 3.636 3.960 0.000 0.000 0.217 198 G HA3 -0.324 3.636 3.960 0.000 0.000 0.217 198 G C 1.603 176.468 174.900 -0.058 0.000 1.158 198 G CA 1.185 46.429 45.100 0.239 0.000 0.771 198 G HN 0.461 nan 8.290 nan 0.000 0.545 199 K N -0.225 119.991 120.400 -0.306 0.000 2.057 199 K HA 0.034 4.354 4.320 0.000 0.000 0.207 199 K C 2.336 178.805 176.600 -0.219 0.000 1.049 199 K CA 0.638 56.594 56.287 -0.552 0.000 0.931 199 K CB -0.470 31.735 32.500 -0.492 0.000 0.714 199 K HN 0.176 nan 8.250 nan 0.000 0.440 200 L N 0.448 121.524 121.223 -0.245 0.000 2.141 200 L HA 0.004 4.344 4.340 0.000 0.000 0.209 200 L C 2.234 179.148 176.870 0.073 0.000 1.094 200 L CA 1.920 56.610 54.840 -0.250 0.000 0.763 200 L CB -1.522 40.391 42.059 -0.244 0.000 0.908 200 L HN 0.278 nan 8.230 nan 0.000 0.437 201 A N -0.655 122.256 122.820 0.152 0.000 1.940 201 A HA -0.176 4.144 4.320 0.000 0.000 0.219 201 A C 2.304 180.124 177.584 0.394 0.000 1.176 201 A CA 1.429 53.691 52.037 0.374 0.000 0.631 201 A CB -0.555 18.677 19.000 0.387 0.000 0.814 201 A HN 0.412 nan 8.150 nan 0.000 0.446 202 L N -2.387 119.011 121.223 0.292 0.000 2.156 202 L HA -0.137 4.203 4.340 0.000 0.000 0.208 202 L C 2.484 179.561 176.870 0.345 0.000 1.095 202 L CA 0.888 55.908 54.840 0.301 0.000 0.770 202 L CB -0.656 41.594 42.059 0.318 0.000 0.914 202 L HN 0.377 nan 8.230 nan 0.000 0.439 203 Y N 0.279 120.698 120.300 0.197 0.000 2.114 203 Y HA -0.273 4.277 4.550 0.000 0.000 0.282 203 Y C 2.534 178.455 175.900 0.034 0.000 1.165 203 Y CA 1.582 59.780 58.100 0.163 0.000 1.148 203 Y CB -0.778 37.762 38.460 0.133 0.000 0.972 203 Y HN -0.126 nan 8.280 nan 0.000 0.504 204 V N -0.701 119.288 119.914 0.126 0.000 2.255 204 V HA -0.277 3.843 4.120 0.000 0.000 0.243 204 V C 2.521 178.523 176.094 -0.154 0.000 1.038 204 V CA 1.683 63.862 62.300 -0.202 0.000 1.008 204 V CB -1.507 29.899 31.823 -0.695 0.000 0.645 204 V HN 0.412 nan 8.190 nan 0.000 0.449 205 A N -0.189 122.641 122.820 0.017 0.000 1.883 205 A HA -0.149 4.171 4.320 0.000 0.000 0.217 205 A C 2.178 179.793 177.584 0.052 0.000 1.186 205 A CA 2.067 54.178 52.037 0.124 0.000 0.624 205 A CB -0.493 18.652 19.000 0.242 0.000 0.822 205 A HN 0.516 nan 8.150 nan 0.000 0.444 206 L N -2.049 119.196 121.223 0.036 0.000 2.253 206 L HA 0.133 4.473 4.340 0.000 0.000 0.205 206 L C 2.635 179.475 176.870 -0.050 0.000 1.078 206 L CA 0.813 55.637 54.840 -0.027 0.000 0.805 206 L CB -0.551 41.456 42.059 -0.087 0.000 0.963 206 L HN 0.460 nan 8.230 nan 0.000 0.459 207 G N -0.991 107.784 108.800 -0.041 0.000 2.595 207 G HA2 0.237 4.197 3.960 0.000 0.000 0.213 207 G HA3 0.237 4.197 3.960 0.000 0.000 0.213 207 G C 1.286 176.174 174.900 -0.020 0.000 1.141 207 G CA 0.686 45.755 45.100 -0.052 0.000 0.806 207 G HN 0.471 nan 8.290 nan 0.000 0.530 208 G N -0.908 107.883 108.800 -0.015 0.000 2.175 208 G HA2 -0.238 3.722 3.960 0.000 0.000 0.244 208 G HA3 -0.238 3.722 3.960 0.000 0.000 0.244 208 G C 0.362 175.243 174.900 -0.032 0.000 0.982 208 G CA 0.091 45.185 45.100 -0.010 0.000 0.641 208 G HN 0.716 nan 8.290 nan 0.000 0.527 209 V N 2.022 121.928 119.914 -0.014 0.000 2.788 209 V HA 0.140 4.260 4.120 0.000 0.000 0.307 209 V C 1.082 177.035 176.094 -0.235 0.000 1.069 209 V CA 0.192 62.505 62.300 0.023 0.000 1.173 209 V CB 1.269 33.214 31.823 0.204 0.000 0.925 209 V HN 0.435 nan 8.190 nan 0.000 0.492 210 Q N 5.752 125.216 119.800 -0.561 0.000 2.311 210 Q HA 0.117 4.457 4.340 0.000 0.000 0.272 210 Q C -1.506 174.117 176.000 -0.628 0.000 1.012 210 Q CA -1.498 53.791 55.803 -0.857 0.000 0.891 210 Q CB 0.905 28.624 28.738 -1.698 0.000 1.201 210 Q HN 0.470 nan 8.270 nan 0.000 0.391 211 P HA -0.210 nan 4.420 nan 0.000 0.216 211 P C 0.972 178.173 177.300 -0.164 0.000 1.150 211 P CA 1.624 64.496 63.100 -0.379 0.000 0.837 211 P CB 0.145 31.587 31.700 -0.431 0.000 0.786 212 K N -1.523 118.756 120.400 -0.201 0.000 2.360 212 K HA -0.133 4.187 4.320 0.000 0.000 0.201 212 K C 1.285 177.974 176.600 0.148 0.000 1.046 212 K CA 1.084 57.360 56.287 -0.018 0.000 0.945 212 K CB -0.822 31.668 32.500 -0.017 0.000 0.750 212 K HN 0.132 nan 8.250 nan 0.000 0.464 213 W N 1.530 122.825 121.300 -0.009 0.000 2.905 213 W HA 0.140 4.800 4.660 0.000 0.000 0.251 213 W C 0.196 176.669 176.519 -0.076 0.000 1.305 213 W CA -1.362 55.961 57.345 -0.037 0.000 1.465 213 W CB -0.942 28.502 29.460 -0.027 0.000 1.122 213 W HN -0.019 nan 8.180 nan 0.000 0.659 214 C N 2.194 121.575 119.300 0.136 0.000 2.452 214 C HA 0.516 4.976 4.460 0.000 0.000 0.379 214 C C 0.219 175.169 174.990 -0.068 0.000 1.275 214 C CA -0.620 58.398 59.018 -0.000 0.000 2.056 214 C CB 0.132 27.854 27.740 -0.030 0.000 2.506 214 C HN -0.027 nan 8.230 nan 0.000 0.560 215 L N 6.480 127.545 121.223 -0.263 0.000 2.457 215 L HA 0.557 4.897 4.340 0.000 0.000 0.266 215 L C -2.823 173.769 176.870 -0.465 0.000 0.979 215 L CA -2.025 52.500 54.840 -0.525 0.000 0.857 215 L CB 1.266 42.885 42.059 -0.733 0.000 1.213 215 L HN 0.390 nan 8.230 nan 0.000 0.418 216 P HA 0.475 nan 4.420 nan 0.000 0.285 216 P C -1.267 175.808 177.300 -0.376 0.000 1.259 216 P CA -0.270 62.632 63.100 -0.330 0.000 0.794 216 P CB 1.626 33.193 31.700 -0.221 0.000 0.940 217 V N 4.089 123.811 119.914 -0.320 0.000 2.925 217 V HA 0.490 4.610 4.120 0.000 0.000 0.311 217 V C -0.534 175.357 176.094 -0.339 0.000 1.104 217 V CA -0.736 61.369 62.300 -0.325 0.000 0.954 217 V CB 2.342 34.017 31.823 -0.246 0.000 1.022 217 V HN 0.393 nan 8.190 nan 0.000 0.427 218 L N 4.442 125.450 121.223 -0.359 0.000 2.381 218 L HA 0.650 4.990 4.340 0.000 0.000 0.274 218 L C -1.257 175.463 176.870 -0.250 0.000 0.988 218 L CA -0.419 54.235 54.840 -0.311 0.000 0.824 218 L CB 1.471 43.355 42.059 -0.293 0.000 1.263 218 L HN 0.576 nan 8.230 nan 0.000 0.410 219 L N 4.402 125.460 121.223 -0.276 0.000 2.265 219 L HA 0.367 4.707 4.340 0.000 0.000 0.288 219 L C -0.641 176.169 176.870 -0.099 0.000 1.058 219 L CA -0.313 54.400 54.840 -0.213 0.000 0.809 219 L CB 0.999 42.891 42.059 -0.279 0.000 1.179 219 L HN 0.575 nan 8.230 nan 0.000 0.429 220 D N 3.132 123.516 120.400 -0.027 0.000 2.427 220 D HA 0.264 4.904 4.640 0.000 0.000 0.226 220 D C 0.392 176.712 176.300 0.033 0.000 1.076 220 D CA -0.351 53.652 54.000 0.006 0.000 0.849 220 D CB 1.819 42.627 40.800 0.013 0.000 1.052 220 D HN 0.282 nan 8.370 nan 0.000 0.515 221 V N 1.568 121.527 119.914 0.075 0.000 3.380 221 V HA 0.696 4.816 4.120 0.000 0.000 0.307 221 V C 0.789 177.002 176.094 0.198 0.000 1.434 221 V CA 0.501 62.898 62.300 0.163 0.000 1.075 221 V CB -0.236 31.738 31.823 0.251 0.000 0.954 221 V HN 0.687 nan 8.190 nan 0.000 0.444 222 G N -0.291 108.536 108.800 0.045 0.000 2.384 222 G HA2 0.299 4.259 3.960 0.000 0.000 0.668 222 G HA3 0.299 4.259 3.960 0.000 0.000 0.668 222 G C -0.540 174.369 174.900 0.015 0.000 1.280 222 G CA -0.012 45.062 45.100 -0.043 0.000 0.992 222 G HN 1.107 nan 8.290 nan 0.000 0.512 223 T N -0.964 113.591 114.554 0.002 0.000 2.923 223 T HA 0.609 4.959 4.350 0.000 0.000 0.311 223 T C 0.018 174.691 174.700 -0.044 0.000 1.183 223 T CA -0.262 61.817 62.100 -0.035 0.000 1.020 223 T CB 1.529 70.332 68.868 -0.107 0.000 1.165 223 T HN 0.515 nan 8.240 nan 0.000 0.482 224 N N 2.615 121.285 118.700 -0.051 0.000 2.230 224 N HA 0.107 4.847 4.740 0.000 0.000 0.202 224 N C 0.104 175.572 175.510 -0.069 0.000 1.119 224 N CA -0.107 52.916 53.050 -0.045 0.000 0.851 224 N CB 0.129 38.597 38.487 -0.033 0.000 0.990 224 N HN 0.522 nan 8.380 nan 0.000 0.497 225 N N 2.096 120.731 118.700 -0.108 0.000 2.466 225 N HA 0.014 4.755 4.740 0.000 0.000 0.263 225 N C 1.078 176.506 175.510 -0.137 0.000 1.178 225 N CA -0.086 52.892 53.050 -0.121 0.000 0.983 225 N CB 0.413 38.807 38.487 -0.155 0.000 1.331 225 N HN -0.066 nan 8.380 nan 0.000 0.500 226 M N 1.394 120.941 119.600 -0.089 0.000 2.195 226 M HA -0.172 4.308 4.480 0.000 0.000 0.260 226 M C 0.925 177.176 176.300 -0.081 0.000 1.066 226 M CA 1.229 56.485 55.300 -0.074 0.000 1.089 226 M CB -0.602 31.971 32.600 -0.045 0.000 1.377 226 M HN 0.433 nan 8.290 nan 0.000 0.411 227 D N 0.244 120.596 120.400 -0.081 0.000 2.117 227 D HA -0.084 4.556 4.640 0.000 0.000 0.197 227 D C 2.284 178.527 176.300 -0.095 0.000 0.987 227 D CA 1.043 55.005 54.000 -0.063 0.000 0.829 227 D CB -0.167 40.606 40.800 -0.045 0.000 0.961 227 D HN 0.358 nan 8.370 nan 0.000 0.460 228 L N 0.390 121.487 121.223 -0.210 0.000 2.056 228 L HA -0.114 4.226 4.340 0.000 0.000 0.207 228 L C 2.620 179.279 176.870 -0.352 0.000 1.078 228 L CA 0.600 55.188 54.840 -0.419 0.000 0.749 228 L CB -0.412 41.077 42.059 -0.950 0.000 0.901 228 L HN 0.030 nan 8.230 nan 0.000 0.433 229 L N -0.138 120.926 121.223 -0.265 0.000 2.127 229 L HA -0.211 4.129 4.340 0.000 0.000 0.211 229 L C 2.014 178.865 176.870 -0.031 0.000 1.089 229 L CA 1.054 55.831 54.840 -0.106 0.000 0.757 229 L CB -0.534 41.482 42.059 -0.072 0.000 0.899 229 L HN 0.411 nan 8.230 nan 0.000 0.434 230 N N -0.921 117.757 118.700 -0.035 0.000 2.422 230 N HA -0.050 4.690 4.740 0.000 0.000 0.181 230 N C 0.293 175.818 175.510 0.025 0.000 1.080 230 N CA 0.332 53.380 53.050 -0.003 0.000 0.893 230 N CB 0.017 38.501 38.487 -0.006 0.000 0.973 230 N HN 0.206 nan 8.380 nan 0.000 0.456 231 D N 2.059 122.485 120.400 0.044 0.000 2.325 231 D HA 0.083 4.723 4.640 0.000 0.000 0.251 231 D C -1.403 174.971 176.300 0.125 0.000 1.196 231 D CA -1.966 52.108 54.000 0.123 0.000 0.866 231 D CB 1.547 42.454 40.800 0.178 0.000 1.101 231 D HN 0.077 nan 8.370 nan 0.000 0.476 232 P HA -0.088 nan 4.420 nan 0.000 0.228 232 P C 0.810 177.968 177.300 -0.237 0.000 1.151 232 P CA 0.634 63.652 63.100 -0.137 0.000 0.770 232 P CB 0.002 31.542 31.700 -0.266 0.000 0.786 233 F N -2.172 117.847 119.950 0.114 0.000 2.727 233 F HA 0.185 4.712 4.527 0.000 0.000 0.302 233 F C 1.331 177.267 175.800 0.225 0.000 1.097 233 F CA -0.726 57.358 58.000 0.140 0.000 1.330 233 F CB -0.519 38.568 39.000 0.145 0.000 1.084 233 F HN -0.156 nan 8.300 nan 0.000 0.578 234 Y N 1.823 122.226 120.300 0.172 0.000 2.425 234 Y HA 0.223 4.773 4.550 0.000 0.000 0.331 234 Y C 1.050 176.901 175.900 -0.083 0.000 1.157 234 Y CA -0.842 57.271 58.100 0.021 0.000 1.372 234 Y CB 0.698 39.095 38.460 -0.105 0.000 1.253 234 Y HN 0.111 nan 8.280 nan 0.000 0.536 235 I N 2.889 123.057 120.570 -0.670 0.000 3.914 235 I HA 0.486 4.656 4.170 0.000 0.000 0.333 235 I C 0.591 176.187 176.117 -0.869 0.000 1.449 235 I CA -0.235 60.688 61.300 -0.628 0.000 1.135 235 I CB -0.009 37.728 38.000 -0.438 0.000 1.073 235 I HN 0.516 nan 8.210 nan 0.000 0.401 236 G N 0.519 108.389 108.800 -1.550 0.000 2.613 236 G HA2 0.572 4.532 3.960 0.000 0.000 0.303 236 G HA3 0.572 4.532 3.960 0.000 0.000 0.303 236 G C -0.791 173.767 174.900 -0.570 0.000 1.312 236 G CA -0.791 43.710 45.100 -0.999 0.000 1.036 236 G HN 0.022 nan 8.290 nan 0.000 0.513 237 L N 0.567 121.586 121.223 -0.340 0.000 2.534 237 L HA 0.178 4.519 4.340 0.000 0.000 0.271 237 L C 1.380 178.065 176.870 -0.308 0.000 1.178 237 L CA 0.253 54.889 54.840 -0.340 0.000 0.907 237 L CB 0.575 42.360 42.059 -0.457 0.000 1.164 237 L HN 0.531 nan 8.230 nan 0.000 0.482 238 R N 4.159 124.548 120.500 -0.185 0.000 3.710 238 R HA 0.212 4.552 4.340 0.000 0.000 0.201 238 R C -0.964 175.343 176.300 0.011 0.000 1.641 238 R CA -0.114 55.965 56.100 -0.035 0.000 1.390 238 R CB -0.590 29.718 30.300 0.014 0.000 1.341 238 R HN 0.865 nan 8.270 nan 0.000 0.728 239 H N -1.647 117.451 119.070 0.047 0.000 2.950 239 H HA 0.302 4.858 4.556 0.000 0.000 0.307 239 H C -1.342 173.997 175.328 0.018 0.000 1.403 239 H CA -1.181 54.880 56.048 0.022 0.000 1.145 239 H CB 0.338 30.110 29.762 0.015 0.000 1.844 239 H HN -0.030 nan 8.280 nan 0.000 0.515 240 K N 0.549 121.113 120.400 0.272 0.000 2.132 240 K HA 0.334 4.654 4.320 0.000 0.000 0.240 240 K C -0.084 176.661 176.600 0.242 0.000 1.036 240 K CA -0.798 55.589 56.287 0.166 0.000 0.888 240 K CB 0.555 33.099 32.500 0.072 0.000 1.071 240 K HN 0.451 nan 8.250 nan 0.000 0.502 241 R N 0.914 121.483 120.500 0.115 0.000 2.449 241 R HA 0.061 4.401 4.340 0.000 0.000 0.296 241 R C -0.390 175.954 176.300 0.074 0.000 1.047 241 R CA -0.306 55.854 56.100 0.100 0.000 1.018 241 R CB 0.195 30.508 30.300 0.022 0.000 0.962 241 R HN 0.236 nan 8.270 nan 0.000 0.428 242 V N 4.905 124.890 119.914 0.119 0.000 2.555 242 V HA 0.098 4.218 4.120 0.000 0.000 0.286 242 V C 1.286 177.424 176.094 0.073 0.000 1.044 242 V CA 0.295 62.647 62.300 0.087 0.000 1.026 242 V CB 1.129 33.025 31.823 0.122 0.000 0.981 242 V HN 0.834 nan 8.190 nan 0.000 0.480 243 R N 2.461 122.976 120.500 0.024 0.000 2.541 243 R HA 0.237 4.577 4.340 0.000 0.000 0.332 243 R C 1.156 177.481 176.300 0.042 0.000 0.951 243 R CA 0.243 56.320 56.100 -0.039 0.000 1.136 243 R CB 1.019 31.250 30.300 -0.115 0.000 1.449 243 R HN 0.819 nan 8.270 nan 0.000 0.531 244 G N 1.483 110.325 108.800 0.070 0.000 2.421 244 G HA2 -0.120 3.840 3.960 0.000 0.000 0.238 244 G HA3 -0.120 3.840 3.960 0.000 0.000 0.238 244 G C 0.639 175.605 174.900 0.109 0.000 1.544 244 G CA -0.167 44.975 45.100 0.070 0.000 1.044 244 G HN 0.043 nan 8.290 nan 0.000 0.537 245 K N -0.297 120.156 120.400 0.087 0.000 2.288 245 K HA -0.029 4.291 4.320 0.000 0.000 0.201 245 K C 1.984 178.651 176.600 0.113 0.000 1.048 245 K CA 0.945 57.288 56.287 0.093 0.000 0.956 245 K CB -0.013 32.526 32.500 0.065 0.000 0.746 245 K HN 0.261 nan 8.250 nan 0.000 0.461 246 D N 0.417 120.883 120.400 0.111 0.000 2.123 246 D HA -0.202 4.438 4.640 0.000 0.000 0.196 246 D C 1.628 178.018 176.300 0.151 0.000 0.992 246 D CA 1.139 55.206 54.000 0.111 0.000 0.833 246 D CB -0.288 40.568 40.800 0.094 0.000 0.954 246 D HN 0.199 nan 8.370 nan 0.000 0.455 247 Y N 1.918 122.260 120.300 0.069 0.000 2.089 247 Y HA -0.191 4.359 4.550 0.000 0.000 0.282 247 Y C 1.828 177.797 175.900 0.114 0.000 1.139 247 Y CA 1.791 59.946 58.100 0.090 0.000 1.123 247 Y CB -0.176 38.338 38.460 0.089 0.000 0.980 247 Y HN -0.114 nan 8.280 nan 0.000 0.493 248 D N -0.854 119.714 120.400 0.280 0.000 2.182 248 D HA -0.174 4.466 4.640 0.000 0.000 0.201 248 D C 1.926 178.293 176.300 0.112 0.000 0.986 248 D CA 1.913 56.022 54.000 0.181 0.000 0.847 248 D CB -0.187 40.724 40.800 0.185 0.000 0.942 248 D HN 0.425 nan 8.370 nan 0.000 0.467 249 T N 1.316 115.929 114.554 0.098 0.000 2.812 249 T HA -0.103 4.247 4.350 0.000 0.000 0.264 249 T C 1.934 176.673 174.700 0.066 0.000 1.042 249 T CA 0.227 62.378 62.100 0.085 0.000 1.140 249 T CB -0.172 68.741 68.868 0.075 0.000 0.870 249 T HN 0.038 nan 8.240 nan 0.000 0.445 250 L N 1.136 122.374 121.223 0.024 0.000 2.046 250 L HA 0.002 4.342 4.340 0.000 0.000 0.208 250 L C 2.050 178.929 176.870 0.016 0.000 1.077 250 L CA 1.581 56.421 54.840 0.000 0.000 0.747 250 L CB -0.747 41.275 42.059 -0.062 0.000 0.896 250 L HN 0.168 nan 8.230 nan 0.000 0.432 251 L N -0.573 120.634 121.223 -0.026 0.000 2.056 251 L HA -0.181 4.159 4.340 0.000 0.000 0.207 251 L C 2.291 179.281 176.870 0.200 0.000 1.078 251 L CA 1.655 56.553 54.840 0.098 0.000 0.749 251 L CB -1.450 40.692 42.059 0.139 0.000 0.901 251 L HN 0.359 nan 8.230 nan 0.000 0.433 252 D N -0.164 120.362 120.400 0.209 0.000 2.144 252 D HA -0.157 4.483 4.640 0.000 0.000 0.199 252 D C 1.872 178.227 176.300 0.093 0.000 0.984 252 D CA 0.864 54.982 54.000 0.196 0.000 0.834 252 D CB -0.092 40.835 40.800 0.212 0.000 0.955 252 D HN 0.278 nan 8.370 nan 0.000 0.465 253 N N 0.260 119.015 118.700 0.091 0.000 2.188 253 N HA -0.124 4.617 4.740 0.000 0.000 0.184 253 N C 1.624 177.161 175.510 0.044 0.000 1.018 253 N CA 0.251 53.340 53.050 0.064 0.000 0.858 253 N CB -0.510 38.019 38.487 0.070 0.000 0.989 253 N HN 0.182 nan 8.380 nan 0.000 0.426 254 F N 1.761 121.664 119.950 -0.078 0.000 2.102 254 F HA -0.126 4.401 4.527 0.000 0.000 0.298 254 F C 2.120 177.801 175.800 -0.198 0.000 1.105 254 F CA 1.293 59.219 58.000 -0.123 0.000 1.239 254 F CB -0.162 38.754 39.000 -0.141 0.000 0.991 254 F HN -0.111 nan 8.300 nan 0.000 0.474 255 M N 0.451 119.841 119.600 -0.349 0.000 2.117 255 M HA -0.188 4.293 4.480 0.000 0.000 0.262 255 M C 2.062 178.049 176.300 -0.522 0.000 1.065 255 M CA 1.623 56.488 55.300 -0.724 0.000 1.114 255 M CB -1.328 30.609 32.600 -1.104 0.000 1.361 255 M HN 0.173 nan 8.290 nan 0.000 0.408 256 K N 0.254 120.527 120.400 -0.212 0.000 2.002 256 K HA -0.047 4.273 4.320 0.000 0.000 0.209 256 K C 2.186 178.739 176.600 -0.079 0.000 1.048 256 K CA 1.506 57.768 56.287 -0.042 0.000 0.930 256 K CB -0.318 32.200 32.500 0.029 0.000 0.714 256 K HN 0.292 nan 8.250 nan 0.000 0.438 257 A N 1.054 123.808 122.820 -0.111 0.000 1.908 257 A HA -0.212 4.108 4.320 0.000 0.000 0.218 257 A C 2.424 179.903 177.584 -0.175 0.000 1.181 257 A CA 1.681 53.679 52.037 -0.065 0.000 0.627 257 A CB -1.085 17.888 19.000 -0.045 0.000 0.818 257 A HN 0.446 nan 8.150 nan 0.000 0.445 258 C N -0.556 118.523 119.300 -0.368 0.000 2.429 258 C HA -0.084 4.376 4.460 0.000 0.000 0.277 258 C C 3.191 178.096 174.990 -0.142 0.000 1.262 258 C CA 1.654 60.478 59.018 -0.324 0.000 1.733 258 C CB -1.443 25.949 27.740 -0.580 0.000 2.010 258 C HN 0.803 nan 8.230 nan 0.000 0.483 259 T N -0.913 113.563 114.554 -0.130 0.000 2.985 259 T HA -0.120 4.231 4.350 0.000 0.000 0.266 259 T C 1.716 176.423 174.700 0.011 0.000 1.076 259 T CA 1.205 63.301 62.100 -0.008 0.000 1.135 259 T CB -0.240 68.684 68.868 0.092 0.000 0.890 259 T HN 0.620 nan 8.240 nan 0.000 0.480 260 K N 1.172 121.576 120.400 0.007 0.000 2.062 260 K HA -0.045 4.275 4.320 0.000 0.000 0.205 260 K C 2.393 179.036 176.600 0.070 0.000 1.051 260 K CA 1.149 57.468 56.287 0.054 0.000 0.941 260 K CB -0.068 32.481 32.500 0.081 0.000 0.719 260 K HN 0.238 nan 8.250 nan 0.000 0.440 261 K N -0.211 120.150 120.400 -0.066 0.000 2.031 261 K HA -0.117 4.203 4.320 0.000 0.000 0.205 261 K C 1.115 177.373 176.600 -0.569 0.000 1.049 261 K CA 1.655 57.670 56.287 -0.453 0.000 0.939 261 K CB -0.061 31.828 32.500 -1.018 0.000 0.717 261 K HN 0.270 nan 8.250 nan 0.000 0.438 262 Y N -1.113 119.140 120.300 -0.078 0.000 2.445 262 Y HA 0.387 4.937 4.550 0.000 0.000 0.247 262 Y C 0.433 176.303 175.900 -0.049 0.000 1.129 262 Y CA -0.142 57.917 58.100 -0.069 0.000 1.251 262 Y CB 1.525 39.925 38.460 -0.100 0.000 1.176 262 Y HN 0.186 nan 8.280 nan 0.000 0.522 263 G N 0.935 109.776 108.800 0.069 0.000 2.640 263 G HA2 -0.201 3.759 3.960 0.000 0.000 0.686 263 G HA3 -0.201 3.759 3.960 0.000 0.000 0.686 263 G C -0.195 174.736 174.900 0.053 0.000 1.229 263 G CA -0.372 44.758 45.100 0.049 0.000 0.796 263 G HN 0.030 nan 8.290 nan 0.000 0.654 264 Q N 0.750 120.581 119.800 0.052 0.000 2.297 264 Q HA -0.134 4.207 4.340 0.000 0.000 0.208 264 Q C 2.349 178.380 176.000 0.052 0.000 0.981 264 Q CA 2.529 58.377 55.803 0.074 0.000 0.876 264 Q CB 0.006 28.769 28.738 0.042 0.000 0.921 264 Q HN 0.733 nan 8.270 nan 0.000 0.446 265 K N -0.434 119.976 120.400 0.016 0.000 2.432 265 K HA 0.011 4.331 4.320 0.000 0.000 0.196 265 K C -0.355 176.241 176.600 -0.006 0.000 1.038 265 K CA 0.509 56.790 56.287 -0.010 0.000 0.986 265 K CB -0.351 32.130 32.500 -0.032 0.000 0.782 265 K HN 0.052 nan 8.250 nan 0.000 0.485 266 T N 3.439 117.997 114.554 0.007 0.000 2.831 266 T HA 0.014 4.364 4.350 0.000 0.000 0.291 266 T C 0.025 174.733 174.700 0.014 0.000 0.981 266 T CA -0.219 61.873 62.100 -0.013 0.000 1.174 266 T CB 0.289 69.153 68.868 -0.008 0.000 0.929 266 T HN 0.222 nan 8.240 nan 0.000 0.532 267 L N 5.907 127.147 121.223 0.028 0.000 2.319 267 L HA 0.493 4.833 4.340 0.000 0.000 0.280 267 L C -0.631 176.285 176.870 0.077 0.000 1.099 267 L CA 0.088 54.992 54.840 0.107 0.000 0.828 267 L CB 0.016 42.182 42.059 0.179 0.000 1.150 267 L HN 0.587 nan 8.230 nan 0.000 0.442 268 I N 5.638 126.271 120.570 0.105 0.000 2.439 268 I HA 0.330 4.500 4.170 0.000 0.000 0.283 268 I C -0.567 175.619 176.117 0.115 0.000 1.023 268 I CA -0.446 60.893 61.300 0.064 0.000 1.100 268 I CB 1.434 39.463 38.000 0.048 0.000 1.238 268 I HN 0.588 nan 8.210 nan 0.000 0.445 269 Q N 6.147 125.932 119.800 -0.026 0.000 2.307 269 Q HA 0.445 4.785 4.340 0.000 0.000 0.262 269 Q C -1.529 174.444 176.000 -0.045 0.000 0.961 269 Q CA -0.694 54.998 55.803 -0.186 0.000 0.882 269 Q CB 1.757 30.221 28.738 -0.457 0.000 1.264 269 Q HN 0.384 nan 8.270 nan 0.000 0.446 270 F N 2.264 122.090 119.950 -0.207 0.000 2.396 270 F HA 0.322 4.849 4.527 0.000 0.000 0.343 270 F C 0.522 176.343 175.800 0.036 0.000 1.104 270 F CA -0.419 57.548 58.000 -0.055 0.000 1.161 270 F CB 1.195 40.031 39.000 -0.273 0.000 1.146 270 F HN 0.509 nan 8.300 nan 0.000 0.522 271 E N 1.111 121.520 120.200 0.349 0.000 2.314 271 E HA 0.329 4.679 4.350 0.000 0.000 0.272 271 E C -1.176 175.577 176.600 0.255 0.000 0.884 271 E CA -0.517 56.019 56.400 0.228 0.000 0.753 271 E CB 1.047 30.789 29.700 0.070 0.000 1.213 271 E HN 0.486 nan 8.360 nan 0.000 0.432 272 D N 2.162 122.679 120.400 0.194 0.000 2.686 272 D HA -0.231 4.409 4.640 0.000 0.000 0.235 272 D C -0.842 175.505 176.300 0.079 0.000 1.160 272 D CA 1.004 55.070 54.000 0.109 0.000 0.645 272 D CB -1.165 39.645 40.800 0.017 0.000 1.039 272 D HN 0.216 nan 8.370 nan 0.000 0.423 273 F N 0.337 120.338 119.950 0.084 0.000 2.378 273 F HA 0.549 5.076 4.527 0.000 0.000 0.325 273 F C 1.328 177.172 175.800 0.074 0.000 1.097 273 F CA -0.594 57.470 58.000 0.106 0.000 1.079 273 F CB 0.708 39.817 39.000 0.181 0.000 1.240 273 F HN 0.012 nan 8.300 nan 0.000 0.519 274 A N 2.345 125.300 122.820 0.226 0.000 2.531 274 A HA 0.050 4.370 4.320 0.000 0.000 0.236 274 A C 1.312 178.987 177.584 0.152 0.000 1.062 274 A CA -0.374 51.739 52.037 0.127 0.000 0.760 274 A CB -0.086 18.954 19.000 0.067 0.000 0.995 274 A HN 0.852 nan 8.150 nan 0.000 0.501 275 N N 2.353 121.113 118.700 0.100 0.000 2.069 275 N HA -0.166 4.575 4.740 0.000 0.000 0.196 275 N C -0.984 174.588 175.510 0.105 0.000 1.024 275 N CA 2.287 55.394 53.050 0.094 0.000 0.869 275 N CB -1.539 36.975 38.487 0.045 0.000 1.035 275 N HN 0.515 nan 8.380 nan 0.000 0.434 276 P HA -0.023 nan 4.420 nan 0.000 0.215 276 P C 1.069 178.433 177.300 0.107 0.000 1.157 276 P CA 1.126 64.270 63.100 0.072 0.000 0.863 276 P CB 0.052 31.768 31.700 0.026 0.000 0.787 277 N N -0.591 118.181 118.700 0.121 0.000 2.188 277 N HA -0.088 4.652 4.740 0.000 0.000 0.184 277 N C 1.715 177.269 175.510 0.073 0.000 1.018 277 N CA 1.406 54.548 53.050 0.152 0.000 0.858 277 N CB -0.955 37.720 38.487 0.313 0.000 0.989 277 N HN 0.035 nan 8.380 nan 0.000 0.426 278 A N 0.967 123.859 122.820 0.120 0.000 1.851 278 A HA -0.176 4.144 4.320 0.000 0.000 0.216 278 A C 2.162 179.711 177.584 -0.058 0.000 1.195 278 A CA 1.238 53.288 52.037 0.022 0.000 0.622 278 A CB -1.133 17.948 19.000 0.135 0.000 0.831 278 A HN 0.268 nan 8.150 nan 0.000 0.444 279 F N 0.221 120.126 119.950 -0.075 0.000 2.075 279 F HA -0.136 4.391 4.527 0.000 0.000 0.297 279 F C 2.466 178.190 175.800 -0.126 0.000 1.113 279 F CA 2.109 60.053 58.000 -0.094 0.000 1.218 279 F CB -0.287 38.672 39.000 -0.069 0.000 0.984 279 F HN 0.205 nan 8.300 nan 0.000 0.472 280 R N 0.369 120.878 120.500 0.014 0.000 2.083 280 R HA -0.192 4.148 4.340 0.000 0.000 0.237 280 R C 2.275 178.398 176.300 -0.295 0.000 1.137 280 R CA 2.171 58.217 56.100 -0.091 0.000 0.951 280 R CB -0.622 29.676 30.300 -0.004 0.000 0.851 280 R HN 0.403 nan 8.270 nan 0.000 0.434 281 L N 0.614 121.637 121.223 -0.334 0.000 2.046 281 L HA -0.199 4.141 4.340 0.000 0.000 0.208 281 L C 2.533 179.027 176.870 -0.627 0.000 1.077 281 L CA 0.687 55.194 54.840 -0.556 0.000 0.747 281 L CB -0.597 41.138 42.059 -0.539 0.000 0.896 281 L HN 0.292 nan 8.230 nan 0.000 0.432 282 L N 0.501 121.394 121.223 -0.550 0.000 2.012 282 L HA -0.264 4.076 4.340 0.000 0.000 0.210 282 L C 2.029 178.658 176.870 -0.402 0.000 1.073 282 L CA 2.241 56.810 54.840 -0.452 0.000 0.748 282 L CB -0.783 41.025 42.059 -0.417 0.000 0.891 282 L HN 0.239 nan 8.230 nan 0.000 0.431 283 D N -0.816 119.266 120.400 -0.530 0.000 2.182 283 D HA -0.269 4.372 4.640 0.000 0.000 0.201 283 D C 2.247 178.371 176.300 -0.294 0.000 0.986 283 D CA 1.548 55.288 54.000 -0.433 0.000 0.847 283 D CB -0.059 40.451 40.800 -0.484 0.000 0.942 283 D HN 0.444 nan 8.370 nan 0.000 0.467 284 K N -1.367 118.811 120.400 -0.371 0.000 2.116 284 K HA -0.073 4.247 4.320 0.000 0.000 0.203 284 K C 1.312 177.768 176.600 -0.240 0.000 1.052 284 K CA 0.814 56.874 56.287 -0.378 0.000 0.952 284 K CB -0.020 32.118 32.500 -0.604 0.000 0.729 284 K HN 0.335 nan 8.250 nan 0.000 0.446 285 Y N -0.194 120.068 120.300 -0.064 0.000 2.458 285 Y HA 0.083 4.633 4.550 0.000 0.000 0.254 285 Y C 2.242 178.186 175.900 0.074 0.000 1.120 285 Y CA -0.385 57.759 58.100 0.074 0.000 1.282 285 Y CB 0.349 38.864 38.460 0.092 0.000 1.109 285 Y HN 0.149 nan 8.280 nan 0.000 0.526 286 Q N 1.068 120.929 119.800 0.103 0.000 2.118 286 Q HA -0.243 4.097 4.340 0.000 0.000 0.211 286 Q C 0.429 176.466 176.000 0.061 0.000 0.998 286 Q CA 2.184 58.038 55.803 0.085 0.000 0.872 286 Q CB 0.031 28.758 28.738 -0.019 0.000 0.925 286 Q HN 0.443 nan 8.270 nan 0.000 0.414 287 D N -1.312 119.034 120.400 -0.091 0.000 2.402 287 D HA 0.055 4.695 4.640 0.000 0.000 0.216 287 D C 0.738 176.764 176.300 -0.457 0.000 1.128 287 D CA 0.129 53.870 54.000 -0.430 0.000 0.833 287 D CB 0.459 41.070 40.800 -0.315 0.000 0.971 287 D HN 0.235 nan 8.370 nan 0.000 0.503 288 K N -0.425 119.912 120.400 -0.104 0.000 2.399 288 K HA 0.064 4.384 4.320 0.000 0.000 0.196 288 K C -0.303 176.151 176.600 -0.243 0.000 1.117 288 K CA 0.243 56.427 56.287 -0.172 0.000 0.965 288 K CB 0.892 33.287 32.500 -0.175 0.000 0.983 288 K HN -0.068 nan 8.250 nan 0.000 0.531 289 Y N -0.672 119.811 120.300 0.305 0.000 2.705 289 Y HA 0.246 4.796 4.550 0.000 0.000 0.332 289 Y C -0.441 175.601 175.900 0.237 0.000 1.157 289 Y CA -1.184 57.044 58.100 0.214 0.000 1.091 289 Y CB 1.858 40.369 38.460 0.085 0.000 1.301 289 Y HN -0.342 nan 8.280 nan 0.000 0.488 290 T N 4.031 118.758 114.554 0.289 0.000 3.176 290 T HA 0.330 4.680 4.350 0.000 0.000 0.301 290 T C -0.472 174.390 174.700 0.270 0.000 1.115 290 T CA -0.047 62.164 62.100 0.186 0.000 1.027 290 T CB -0.565 68.357 68.868 0.090 0.000 1.063 290 T HN 0.343 nan 8.240 nan 0.000 0.669 291 M N 4.125 123.929 119.600 0.341 0.000 2.618 291 M HA 0.760 5.240 4.480 0.000 0.000 0.281 291 M C -2.067 174.502 176.300 0.448 0.000 1.267 291 M CA -1.240 54.268 55.300 0.347 0.000 0.845 291 M CB 2.402 35.180 32.600 0.297 0.000 1.732 291 M HN 0.487 nan 8.290 nan 0.000 0.461 292 F N 0.940 121.028 119.950 0.229 0.000 2.807 292 F HA 0.563 5.090 4.527 0.000 0.000 0.316 292 F C -2.108 173.805 175.800 0.188 0.000 1.162 292 F CA -0.889 57.237 58.000 0.211 0.000 0.910 292 F CB 1.126 40.352 39.000 0.376 0.000 1.314 292 F HN 0.614 nan 8.300 nan 0.000 0.454 293 N N 1.925 120.743 118.700 0.197 0.000 2.491 293 N HA 0.172 4.912 4.740 0.000 0.000 0.274 293 N C -0.400 175.244 175.510 0.222 0.000 1.023 293 N CA -0.182 52.900 53.050 0.054 0.000 0.902 293 N CB 1.707 40.196 38.487 0.004 0.000 1.267 293 N HN 0.949 nan 8.380 nan 0.000 0.503 294 D N 2.469 122.983 120.400 0.189 0.000 2.104 294 D HA -0.156 4.484 4.640 0.000 0.000 0.194 294 D C 0.776 177.208 176.300 0.220 0.000 0.994 294 D CA 1.501 55.714 54.000 0.355 0.000 0.830 294 D CB 0.371 41.309 40.800 0.229 0.000 0.959 294 D HN 0.535 nan 8.370 nan 0.000 0.452 295 D N -0.318 120.174 120.400 0.154 0.000 2.190 295 D HA -0.159 4.481 4.640 0.000 0.000 0.200 295 D C 2.172 178.532 176.300 0.101 0.000 0.992 295 D CA 0.798 54.876 54.000 0.131 0.000 0.854 295 D CB 0.007 40.881 40.800 0.124 0.000 0.936 295 D HN 0.416 nan 8.370 nan 0.000 0.462 296 I N 0.271 120.890 120.570 0.082 0.000 2.405 296 I HA -0.183 3.987 4.170 0.000 0.000 0.236 296 I C 2.413 178.506 176.117 -0.041 0.000 1.071 296 I CA 0.627 61.951 61.300 0.039 0.000 1.398 296 I CB -0.147 37.878 38.000 0.042 0.000 1.162 296 I HN -0.159 nan 8.210 nan 0.000 0.432 297 Q N 0.717 120.430 119.800 -0.145 0.000 2.137 297 Q HA -0.025 4.315 4.340 0.000 0.000 0.198 297 Q C 2.240 178.003 176.000 -0.395 0.000 0.960 297 Q CA 1.370 56.872 55.803 -0.502 0.000 0.847 297 Q CB -0.323 27.724 28.738 -1.152 0.000 0.915 297 Q HN 0.594 nan 8.270 nan 0.000 0.448 298 G N 0.388 109.175 108.800 -0.023 0.000 2.421 298 G HA2 -0.263 3.697 3.960 0.000 0.000 0.216 298 G HA3 -0.263 3.697 3.960 0.000 0.000 0.216 298 G C 1.392 176.401 174.900 0.183 0.000 1.171 298 G CA 1.382 46.627 45.100 0.242 0.000 0.775 298 G HN 0.242 nan 8.290 nan 0.000 0.543 299 T N 1.841 116.480 114.554 0.141 0.000 2.595 299 T HA -0.088 4.262 4.350 0.000 0.000 0.264 299 T C 2.833 177.599 174.700 0.110 0.000 1.058 299 T CA 2.084 64.264 62.100 0.132 0.000 1.166 299 T CB -0.704 68.227 68.868 0.105 0.000 0.863 299 T HN 0.396 nan 8.240 nan 0.000 0.415 300 A N 1.069 123.915 122.820 0.043 0.000 1.915 300 A HA -0.220 4.100 4.320 0.000 0.000 0.220 300 A C 2.570 180.192 177.584 0.064 0.000 1.198 300 A CA 2.746 54.796 52.037 0.022 0.000 0.647 300 A CB -1.309 17.658 19.000 -0.055 0.000 0.825 300 A HN 0.500 nan 8.150 nan 0.000 0.456 301 S N -0.953 114.787 115.700 0.067 0.000 2.355 301 S HA -0.117 4.353 4.470 0.000 0.000 0.222 301 S C 1.896 176.611 174.600 0.192 0.000 1.031 301 S CA 1.669 59.955 58.200 0.144 0.000 0.993 301 S CB -0.589 62.761 63.200 0.250 0.000 0.859 301 S HN 0.372 nan 8.310 nan 0.000 0.453 302 V N 2.504 122.551 119.914 0.220 0.000 2.343 302 V HA -0.114 4.006 4.120 0.000 0.000 0.247 302 V C 2.430 178.741 176.094 0.361 0.000 1.051 302 V CA 1.324 63.788 62.300 0.274 0.000 1.036 302 V CB -0.695 31.266 31.823 0.230 0.000 0.654 302 V HN 0.478 nan 8.190 nan 0.000 0.451 303 I N 0.028 120.786 120.570 0.313 0.000 2.252 303 I HA -0.142 4.028 4.170 0.000 0.000 0.245 303 I C 2.505 178.801 176.117 0.299 0.000 1.102 303 I CA 1.338 62.876 61.300 0.397 0.000 1.385 303 I CB -1.124 37.080 38.000 0.339 0.000 1.064 303 I HN 0.169 nan 8.210 nan 0.000 0.414 304 V N 1.490 121.513 119.914 0.181 0.000 2.407 304 V HA -0.248 3.872 4.120 0.000 0.000 0.248 304 V C 2.785 178.943 176.094 0.106 0.000 1.055 304 V CA 1.704 64.062 62.300 0.097 0.000 1.049 304 V CB -1.059 30.806 31.823 0.069 0.000 0.662 304 V HN 0.459 nan 8.190 nan 0.000 0.455 305 A N 0.282 123.195 122.820 0.154 0.000 1.969 305 A HA -0.040 4.280 4.320 0.000 0.000 0.218 305 A C 2.376 179.975 177.584 0.025 0.000 1.169 305 A CA 1.721 53.823 52.037 0.108 0.000 0.635 305 A CB -0.931 18.165 19.000 0.160 0.000 0.810 305 A HN 0.526 nan 8.150 nan 0.000 0.445 306 G N -0.087 108.777 108.800 0.106 0.000 2.402 306 G HA2 -0.107 3.853 3.960 0.000 0.000 0.216 306 G HA3 -0.107 3.853 3.960 0.000 0.000 0.216 306 G C 1.537 176.463 174.900 0.045 0.000 1.162 306 G CA 0.938 45.984 45.100 -0.089 0.000 0.777 306 G HN 0.424 nan 8.290 nan 0.000 0.539 307 L N -0.063 121.195 121.223 0.058 0.000 2.017 307 L HA -0.019 4.321 4.340 0.000 0.000 0.208 307 L C 2.927 179.811 176.870 0.023 0.000 1.073 307 L CA 0.605 55.440 54.840 -0.008 0.000 0.745 307 L CB -0.584 41.459 42.059 -0.026 0.000 0.894 307 L HN 0.163 nan 8.230 nan 0.000 0.432 308 L N -0.508 120.729 121.223 0.024 0.000 2.043 308 L HA -0.258 4.082 4.340 0.000 0.000 0.212 308 L C 2.648 179.518 176.870 0.001 0.000 1.075 308 L CA 1.760 56.614 54.840 0.022 0.000 0.752 308 L CB -0.927 41.144 42.059 0.021 0.000 0.891 308 L HN 0.289 nan 8.230 nan 0.000 0.432 309 T N -1.535 112.999 114.554 -0.033 0.000 2.833 309 T HA -0.191 4.159 4.350 0.000 0.000 0.269 309 T C 1.980 176.670 174.700 -0.016 0.000 1.054 309 T CA 1.415 63.485 62.100 -0.050 0.000 1.135 309 T CB -0.404 68.384 68.868 -0.132 0.000 0.869 309 T HN 0.411 nan 8.240 nan 0.000 0.466 310 C N 1.409 120.711 119.300 0.004 0.000 2.422 310 C HA -0.064 4.396 4.460 0.000 0.000 0.279 310 C C 3.028 178.030 174.990 0.019 0.000 1.305 310 C CA 0.853 59.888 59.018 0.028 0.000 1.757 310 C CB -1.405 26.354 27.740 0.032 0.000 1.962 310 C HN 0.576 nan 8.230 nan 0.000 0.499 311 T N 0.703 115.269 114.554 0.020 0.000 2.699 311 T HA -0.217 4.133 4.350 0.000 0.000 0.268 311 T C 1.828 176.536 174.700 0.012 0.000 1.036 311 T CA 1.426 63.538 62.100 0.020 0.000 1.147 311 T CB -0.301 68.584 68.868 0.030 0.000 0.862 311 T HN 0.594 nan 8.240 nan 0.000 0.446 312 R N 0.178 120.683 120.500 0.009 0.000 2.249 312 R HA -0.026 4.314 4.340 0.000 0.000 0.230 312 R C 1.946 178.250 176.300 0.006 0.000 1.121 312 R CA 0.797 56.901 56.100 0.006 0.000 0.997 312 R CB -0.165 30.136 30.300 0.001 0.000 0.867 312 R HN 0.303 nan 8.270 nan 0.000 0.465 313 V N -0.832 119.088 119.914 0.010 0.000 3.570 313 V HA -0.038 4.082 4.120 0.000 0.000 0.257 313 V C 1.704 177.802 176.094 0.007 0.000 1.272 313 V CA 1.379 63.685 62.300 0.011 0.000 1.079 313 V CB 0.967 32.804 31.823 0.023 0.000 0.829 313 V HN 0.387 nan 8.190 nan 0.000 0.454 314 T N -3.548 111.009 114.554 0.004 0.000 3.086 314 T HA 0.131 4.481 4.350 0.000 0.000 0.250 314 T C 0.949 175.644 174.700 -0.009 0.000 1.074 314 T CA -0.153 61.942 62.100 -0.007 0.000 0.988 314 T CB -0.111 68.745 68.868 -0.020 0.000 0.988 314 T HN 0.180 nan 8.240 nan 0.000 0.530 315 K N 0.755 121.154 120.400 -0.002 0.000 2.914 315 K HA -0.169 4.151 4.320 0.000 0.000 0.253 315 K C -0.427 176.172 176.600 -0.002 0.000 0.986 315 K CA 0.925 57.211 56.287 -0.001 0.000 0.730 315 K CB -1.540 30.958 32.500 -0.003 0.000 1.228 315 K HN 0.572 nan 8.250 nan 0.000 0.483 316 K N 0.150 120.548 120.400 -0.004 0.000 2.376 316 K HA 0.280 4.600 4.320 0.000 0.000 0.257 316 K C -0.352 176.257 176.600 0.014 0.000 0.939 316 K CA -1.158 55.126 56.287 -0.005 0.000 0.809 316 K CB 1.459 33.942 32.500 -0.029 0.000 1.121 316 K HN -0.152 nan 8.250 nan 0.000 0.425 317 L N 2.541 123.779 121.223 0.025 0.000 2.476 317 L HA -0.025 4.315 4.340 0.000 0.000 0.264 317 L C 1.529 178.447 176.870 0.080 0.000 1.224 317 L CA 0.651 55.519 54.840 0.047 0.000 0.821 317 L CB 0.888 42.973 42.059 0.043 0.000 1.101 317 L HN 0.523 nan 8.230 nan 0.000 0.488 318 V N 0.637 120.618 119.914 0.113 0.000 2.469 318 V HA -0.243 3.877 4.120 0.000 0.000 0.251 318 V C 2.046 178.274 176.094 0.223 0.000 1.064 318 V CA 1.946 64.365 62.300 0.199 0.000 1.066 318 V CB -0.902 31.005 31.823 0.141 0.000 0.667 318 V HN 1.009 nan 8.190 nan 0.000 0.461 319 S N -0.258 115.523 115.700 0.136 0.000 2.446 319 S HA -0.093 4.377 4.470 0.000 0.000 0.225 319 S C 1.551 176.207 174.600 0.092 0.000 1.016 319 S CA 0.345 58.617 58.200 0.120 0.000 0.943 319 S CB -0.313 62.935 63.200 0.081 0.000 0.786 319 S HN 0.693 nan 8.310 nan 0.000 0.508 320 Q N 0.857 120.695 119.800 0.064 0.000 2.239 320 Q HA 0.377 4.717 4.340 0.000 0.000 0.219 320 Q C -0.195 175.803 176.000 -0.003 0.000 0.901 320 Q CA 0.047 55.867 55.803 0.029 0.000 0.949 320 Q CB 0.146 28.895 28.738 0.018 0.000 1.038 320 Q HN 0.560 nan 8.270 nan 0.000 0.458 321 E N 0.499 120.696 120.200 -0.004 0.000 2.393 321 E HA 0.399 4.749 4.350 0.000 0.000 0.265 321 E C -1.288 175.201 176.600 -0.184 0.000 0.941 321 E CA -0.702 55.600 56.400 -0.162 0.000 0.801 321 E CB 1.420 30.931 29.700 -0.314 0.000 1.313 321 E HN -0.145 nan 8.360 nan 0.000 0.435 322 K N 1.610 121.786 120.400 -0.372 0.000 2.471 322 K HA 0.384 4.704 4.320 0.000 0.000 0.252 322 K C -1.522 174.831 176.600 -0.413 0.000 0.938 322 K CA -0.661 55.522 56.287 -0.174 0.000 0.796 322 K CB 1.374 33.862 32.500 -0.020 0.000 1.161 322 K HN 0.383 nan 8.250 nan 0.000 0.425 323 Y N 1.519 121.849 120.300 0.049 0.000 2.446 323 Y HA 0.525 5.075 4.550 0.000 0.000 0.338 323 Y C -0.468 175.388 175.900 -0.074 0.000 1.055 323 Y CA -1.257 56.765 58.100 -0.129 0.000 1.101 323 Y CB 1.441 39.740 38.460 -0.269 0.000 1.221 323 Y HN 0.330 nan 8.280 nan 0.000 0.460 324 L N 3.580 124.737 121.223 -0.111 0.000 2.372 324 L HA 0.584 4.925 4.340 0.000 0.000 0.273 324 L C -2.009 174.792 176.870 -0.115 0.000 0.989 324 L CA -0.910 53.927 54.840 -0.006 0.000 0.841 324 L CB 0.114 42.164 42.059 -0.015 0.000 1.225 324 L HN 0.411 nan 8.230 nan 0.000 0.414 325 F N 5.584 125.641 119.950 0.179 0.000 2.404 325 F HA 0.352 4.879 4.527 0.000 0.000 0.358 325 F C -0.164 175.782 175.800 0.243 0.000 1.120 325 F CA -0.193 57.912 58.000 0.175 0.000 1.144 325 F CB 0.997 40.028 39.000 0.051 0.000 1.133 325 F HN 0.415 nan 8.300 nan 0.000 0.495 326 F N 3.674 123.809 119.950 0.308 0.000 2.368 326 F HA 0.644 5.171 4.527 0.000 0.000 0.362 326 F C 0.274 176.195 175.800 0.202 0.000 1.137 326 F CA -0.784 57.371 58.000 0.259 0.000 1.161 326 F CB 0.131 39.359 39.000 0.380 0.000 1.265 326 F HN 0.610 nan 8.300 nan 0.000 0.530 327 G N 4.164 112.847 108.800 -0.195 0.000 3.226 327 G HA2 0.408 4.368 3.960 0.000 0.000 0.685 327 G HA3 0.408 4.368 3.960 0.000 0.000 0.685 327 G C -0.959 173.907 174.900 -0.058 0.000 1.207 327 G CA -0.497 44.474 45.100 -0.213 0.000 0.877 327 G HN 1.406 nan 8.290 nan 0.000 0.585 328 A N 1.580 124.349 122.820 -0.085 0.000 2.956 328 A HA 0.824 5.144 4.320 0.000 0.000 0.294 328 A C 1.188 178.815 177.584 0.073 0.000 0.993 328 A CA 1.029 53.023 52.037 -0.071 0.000 1.032 328 A CB -0.081 18.737 19.000 -0.305 0.000 1.129 328 A HN 2.101 nan 8.150 nan 0.000 0.505 329 G N -0.596 108.207 108.800 0.006 0.000 2.582 329 G HA2 0.446 4.406 3.960 0.000 0.000 0.232 329 G HA3 0.446 4.406 3.960 0.000 0.000 0.232 329 G C 1.307 176.193 174.900 -0.024 0.000 1.458 329 G CA 0.302 45.404 45.100 0.003 0.000 1.062 329 G HN 0.743 nan 8.290 nan 0.000 0.566 330 A N -0.708 122.096 122.820 -0.028 0.000 1.902 330 A HA 0.164 4.484 4.320 0.000 0.000 0.217 330 A C 2.716 180.286 177.584 -0.023 0.000 1.181 330 A CA 2.663 54.684 52.037 -0.027 0.000 0.623 330 A CB -1.002 18.004 19.000 0.010 0.000 0.818 330 A HN 1.159 nan 8.150 nan 0.000 0.443 331 A N -0.583 122.231 122.820 -0.010 0.000 1.845 331 A HA -0.062 4.258 4.320 0.000 0.000 0.215 331 A C 2.483 180.028 177.584 -0.066 0.000 1.195 331 A CA 2.128 54.164 52.037 -0.001 0.000 0.616 331 A CB -0.990 18.034 19.000 0.040 0.000 0.832 331 A HN 0.456 nan 8.150 nan 0.000 0.443 332 S N -0.248 115.387 115.700 -0.107 0.000 2.356 332 S HA -0.128 4.342 4.470 0.000 0.000 0.223 332 S C 2.068 176.328 174.600 -0.566 0.000 1.032 332 S CA 1.799 59.794 58.200 -0.342 0.000 1.005 332 S CB -0.683 62.385 63.200 -0.219 0.000 0.867 332 S HN 0.713 nan 8.310 nan 0.000 0.449 333 T N 1.682 116.046 114.554 -0.317 0.000 2.720 333 T HA -0.091 4.259 4.350 0.000 0.000 0.268 333 T C 2.049 176.608 174.700 -0.235 0.000 1.037 333 T CA 1.403 63.339 62.100 -0.273 0.000 1.144 333 T CB -0.939 67.864 68.868 -0.109 0.000 0.864 333 T HN 0.544 nan 8.240 nan 0.000 0.444 334 G N 1.309 110.017 108.800 -0.154 0.000 2.421 334 G HA2 -0.124 3.836 3.960 0.000 0.000 0.216 334 G HA3 -0.124 3.836 3.960 0.000 0.000 0.216 334 G C 1.543 176.370 174.900 -0.122 0.000 1.171 334 G CA 0.536 45.587 45.100 -0.081 0.000 0.775 334 G HN 0.502 nan 8.290 nan 0.000 0.543 335 I N 1.441 121.900 120.570 -0.186 0.000 2.226 335 I HA -0.173 3.997 4.170 0.000 0.000 0.245 335 I C 3.316 179.295 176.117 -0.231 0.000 1.100 335 I CA 0.892 62.103 61.300 -0.149 0.000 1.374 335 I CB -0.288 37.675 38.000 -0.061 0.000 1.057 335 I HN 0.246 nan 8.210 nan 0.000 0.413 336 A N 0.977 123.468 122.820 -0.548 0.000 1.859 336 A HA -0.266 4.054 4.320 0.000 0.000 0.217 336 A C 2.208 179.724 177.584 -0.112 0.000 1.198 336 A CA 2.064 53.789 52.037 -0.519 0.000 0.629 336 A CB -0.778 17.585 19.000 -1.063 0.000 0.830 336 A HN 0.492 nan 8.150 nan 0.000 0.446 337 E N -0.955 119.236 120.200 -0.015 0.000 2.160 337 E HA -0.176 4.174 4.350 0.000 0.000 0.195 337 E C 2.027 178.704 176.600 0.128 0.000 0.991 337 E CA 1.180 57.684 56.400 0.172 0.000 0.810 337 E CB -0.252 29.543 29.700 0.157 0.000 0.742 337 E HN 0.504 nan 8.360 nan 0.000 0.466 338 M N 0.277 119.904 119.600 0.046 0.000 2.200 338 M HA -0.057 4.423 4.480 0.000 0.000 0.265 338 M C 2.299 178.649 176.300 0.083 0.000 1.066 338 M CA 1.046 56.377 55.300 0.051 0.000 1.127 338 M CB -0.298 32.303 32.600 0.001 0.000 1.379 338 M HN 0.162 nan 8.290 nan 0.000 0.420 339 I N -0.636 119.957 120.570 0.037 0.000 2.202 339 I HA -0.262 3.909 4.170 0.000 0.000 0.242 339 I C 2.340 178.509 176.117 0.086 0.000 1.091 339 I CA 0.865 62.170 61.300 0.008 0.000 1.368 339 I CB -0.409 37.526 38.000 -0.109 0.000 1.058 339 I HN 0.005 nan 8.210 nan 0.000 0.410 340 V N 0.601 120.600 119.914 0.141 0.000 2.231 340 V HA -0.404 3.716 4.120 0.000 0.000 0.248 340 V C 2.478 178.651 176.094 0.130 0.000 1.054 340 V CA 2.605 65.003 62.300 0.164 0.000 1.015 340 V CB -0.988 30.967 31.823 0.220 0.000 0.638 340 V HN 0.485 nan 8.190 nan 0.000 0.444 341 H N -0.539 118.574 119.070 0.072 0.000 2.431 341 H HA -0.266 4.290 4.556 0.000 0.000 0.297 341 H C 2.266 177.625 175.328 0.051 0.000 1.115 341 H CA 2.274 58.356 56.048 0.057 0.000 1.277 341 H CB 0.077 29.872 29.762 0.055 0.000 1.372 341 H HN 0.434 nan 8.280 nan 0.000 0.516 342 Q N -0.048 119.853 119.800 0.170 0.000 2.123 342 Q HA -0.082 4.258 4.340 0.000 0.000 0.199 342 Q C 2.194 178.234 176.000 0.067 0.000 0.966 342 Q CA 1.744 57.616 55.803 0.115 0.000 0.845 342 Q CB -0.122 28.673 28.738 0.094 0.000 0.907 342 Q HN 0.580 nan 8.270 nan 0.000 0.439 343 M N -0.289 119.351 119.600 0.068 0.000 2.086 343 M HA -0.217 4.263 4.480 0.000 0.000 0.261 343 M C 2.212 178.526 176.300 0.024 0.000 1.067 343 M CA 1.823 57.160 55.300 0.061 0.000 1.116 343 M CB -0.410 32.241 32.600 0.085 0.000 1.348 343 M HN 0.267 nan 8.290 nan 0.000 0.407 344 Q N 0.366 120.158 119.800 -0.013 0.000 2.096 344 Q HA -0.142 4.198 4.340 0.000 0.000 0.204 344 Q C 1.437 177.408 176.000 -0.047 0.000 0.982 344 Q CA 1.110 56.882 55.803 -0.051 0.000 0.850 344 Q CB -0.434 28.230 28.738 -0.124 0.000 0.901 344 Q HN 0.544 nan 8.270 nan 0.000 0.422 345 N N 0.814 119.483 118.700 -0.052 0.000 2.609 345 N HA -0.088 4.652 4.740 0.000 0.000 0.190 345 N C 0.436 175.957 175.510 0.018 0.000 1.157 345 N CA 0.741 53.785 53.050 -0.011 0.000 0.918 345 N CB 0.184 38.685 38.487 0.023 0.000 0.978 345 N HN 0.420 nan 8.380 nan 0.000 0.448 346 E N -0.976 119.236 120.200 0.019 0.000 2.498 346 E HA 0.195 4.545 4.350 0.000 0.000 0.203 346 E C 0.884 177.497 176.600 0.023 0.000 1.013 346 E CA 0.029 56.446 56.400 0.028 0.000 0.927 346 E CB 0.751 30.474 29.700 0.039 0.000 1.012 346 E HN 0.324 nan 8.360 nan 0.000 0.482 347 G N 1.342 110.150 108.800 0.014 0.000 2.284 347 G HA2 -0.196 3.764 3.960 0.000 0.000 0.201 347 G HA3 -0.196 3.764 3.960 0.000 0.000 0.201 347 G C 0.396 175.301 174.900 0.010 0.000 0.998 347 G CA -0.331 44.777 45.100 0.012 0.000 0.651 347 G HN 0.143 nan 8.290 nan 0.000 0.489 348 I N 1.821 122.398 120.570 0.013 0.000 3.244 348 I HA 0.543 4.713 4.170 0.000 0.000 0.314 348 I C 1.304 177.423 176.117 0.003 0.000 1.043 348 I CA -0.123 61.184 61.300 0.013 0.000 1.099 348 I CB 1.406 39.421 38.000 0.026 0.000 1.449 348 I HN 0.369 nan 8.210 nan 0.000 0.625 349 S N 0.501 116.203 115.700 0.003 0.000 2.747 349 S HA 0.289 4.759 4.470 0.000 0.000 0.300 349 S C 0.346 174.942 174.600 -0.007 0.000 1.121 349 S CA -0.895 57.301 58.200 -0.007 0.000 0.995 349 S CB 1.375 64.571 63.200 -0.007 0.000 1.113 349 S HN 0.702 nan 8.310 nan 0.000 0.547 350 K N -0.188 120.201 120.400 -0.019 0.000 2.616 350 K HA 0.049 4.369 4.320 0.000 0.000 0.192 350 K C 0.725 177.305 176.600 -0.033 0.000 1.031 350 K CA 0.777 57.048 56.287 -0.026 0.000 1.004 350 K CB -0.207 32.268 32.500 -0.042 0.000 0.810 350 K HN 0.677 nan 8.250 nan 0.000 0.497 351 E N 1.791 121.980 120.200 -0.019 0.000 2.052 351 E HA -0.062 4.288 4.350 0.000 0.000 0.192 351 E C 1.644 178.244 176.600 -0.000 0.000 0.958 351 E CA 0.419 56.808 56.400 -0.019 0.000 0.835 351 E CB -0.006 29.687 29.700 -0.012 0.000 0.811 351 E HN 0.358 nan 8.360 nan 0.000 0.462 352 E N 1.178 121.388 120.200 0.016 0.000 2.118 352 E HA -0.220 4.130 4.350 0.000 0.000 0.195 352 E C 2.024 178.658 176.600 0.057 0.000 0.992 352 E CA 0.811 57.232 56.400 0.036 0.000 0.804 352 E CB -0.129 29.595 29.700 0.040 0.000 0.741 352 E HN 0.200 nan 8.360 nan 0.000 0.458 353 A N 1.038 123.892 122.820 0.057 0.000 1.842 353 A HA -0.267 4.053 4.320 0.000 0.000 0.217 353 A C 2.483 180.142 177.584 0.126 0.000 1.206 353 A CA 1.749 53.843 52.037 0.095 0.000 0.630 353 A CB -1.160 17.884 19.000 0.074 0.000 0.839 353 A HN 0.431 nan 8.150 nan 0.000 0.447 354 C N -0.469 118.872 119.300 0.067 0.000 2.410 354 C HA -0.073 4.387 4.460 0.000 0.000 0.281 354 C C 2.416 177.434 174.990 0.048 0.000 1.318 354 C CA 1.121 60.175 59.018 0.059 0.000 1.776 354 C CB -1.954 25.654 27.740 -0.220 0.000 1.942 354 C HN 0.753 nan 8.230 nan 0.000 0.508 355 N N -0.019 118.684 118.700 0.005 0.000 2.521 355 N HA 0.025 4.765 4.740 0.000 0.000 0.188 355 N C 1.505 176.991 175.510 -0.039 0.000 1.146 355 N CA 0.103 53.129 53.050 -0.040 0.000 0.893 355 N CB 0.007 38.496 38.487 0.005 0.000 0.975 355 N HN 0.543 nan 8.380 nan 0.000 0.451 356 R N -0.178 120.352 120.500 0.049 0.000 2.432 356 R HA 0.316 4.656 4.340 0.000 0.000 0.260 356 R C -0.428 175.995 176.300 0.205 0.000 0.935 356 R CA 0.082 56.278 56.100 0.159 0.000 1.080 356 R CB 0.829 31.248 30.300 0.198 0.000 1.155 356 R HN 0.142 nan 8.270 nan 0.000 0.531 357 I N 0.827 121.417 120.570 0.034 0.000 2.418 357 I HA 0.270 4.440 4.170 0.000 0.000 0.287 357 I C -1.127 174.901 176.117 -0.148 0.000 1.008 357 I CA -0.967 60.418 61.300 0.143 0.000 1.104 357 I CB 1.487 39.625 38.000 0.230 0.000 1.264 357 I HN -0.080 nan 8.210 nan 0.000 0.438 358 Y N 6.463 126.888 120.300 0.209 0.000 2.334 358 Y HA 0.553 5.103 4.550 0.000 0.000 0.336 358 Y C -0.236 175.770 175.900 0.177 0.000 0.960 358 Y CA -0.646 57.550 58.100 0.159 0.000 1.164 358 Y CB 1.259 39.780 38.460 0.102 0.000 1.155 358 Y HN 0.293 nan 8.280 nan 0.000 0.478 359 L N 4.796 126.135 121.223 0.195 0.000 2.322 359 L HA 0.686 5.026 4.340 0.000 0.000 0.279 359 L C -0.361 176.557 176.870 0.080 0.000 1.036 359 L CA -0.686 54.217 54.840 0.104 0.000 0.807 359 L CB 1.453 43.441 42.059 -0.117 0.000 1.226 359 L HN 0.567 nan 8.230 nan 0.000 0.433 360 M N 2.744 122.391 119.600 0.077 0.000 2.446 360 M HA 0.363 4.843 4.480 0.000 0.000 0.294 360 M C -1.220 175.036 176.300 -0.074 0.000 1.158 360 M CA -0.724 54.613 55.300 0.061 0.000 0.899 360 M CB 2.628 35.370 32.600 0.235 0.000 1.687 360 M HN 0.637 nan 8.290 nan 0.000 0.455 361 D N 1.769 122.114 120.400 -0.092 0.000 2.720 361 D HA 0.327 4.967 4.640 0.000 0.000 0.232 361 D C 0.735 176.959 176.300 -0.127 0.000 1.173 361 D CA -0.535 53.386 54.000 -0.133 0.000 1.082 361 D CB 1.001 41.757 40.800 -0.073 0.000 1.235 361 D HN 0.679 nan 8.370 nan 0.000 0.636 362 I N -0.295 120.224 120.570 -0.086 0.000 2.439 362 I HA -0.137 4.033 4.170 0.000 0.000 0.251 362 I C -0.071 176.045 176.117 -0.001 0.000 1.139 362 I CA 0.999 62.268 61.300 -0.052 0.000 1.438 362 I CB 0.046 38.025 38.000 -0.035 0.000 1.085 362 I HN 0.113 nan 8.210 nan 0.000 0.427 363 D N 2.405 122.808 120.400 0.006 0.000 3.110 363 D HA 0.276 4.916 4.640 0.000 0.000 0.254 363 D C 0.806 177.129 176.300 0.039 0.000 1.283 363 D CA 0.729 54.744 54.000 0.025 0.000 0.944 363 D CB -0.188 40.625 40.800 0.022 0.000 1.066 363 D HN 0.516 nan 8.370 nan 0.000 0.496 364 G N 0.787 109.624 108.800 0.061 0.000 2.633 364 G HA2 -0.312 3.648 3.960 0.000 0.000 0.263 364 G HA3 -0.312 3.648 3.960 0.000 0.000 0.263 364 G C 0.109 175.058 174.900 0.082 0.000 1.310 364 G CA -0.395 44.759 45.100 0.090 0.000 0.914 364 G HN 0.425 nan 8.290 nan 0.000 0.569 365 L N -1.165 120.116 121.223 0.096 0.000 2.456 365 L HA 0.431 4.771 4.340 0.000 0.000 0.266 365 L C 0.973 177.881 176.870 0.062 0.000 1.258 365 L CA 0.356 55.254 54.840 0.097 0.000 0.823 365 L CB 0.523 42.647 42.059 0.108 0.000 1.100 365 L HN 0.773 nan 8.230 nan 0.000 0.531 366 V N 1.849 121.800 119.914 0.062 0.000 2.259 366 V HA 0.281 4.401 4.120 0.000 0.000 0.267 366 V C -0.018 176.113 176.094 0.062 0.000 1.051 366 V CA -0.181 62.141 62.300 0.036 0.000 0.830 366 V CB 0.238 32.058 31.823 -0.006 0.000 1.080 366 V HN 0.896 nan 8.190 nan 0.000 0.467 367 T N 0.815 115.403 114.554 0.057 0.000 2.837 367 T HA 0.364 4.714 4.350 0.000 0.000 0.285 367 T C 0.878 175.606 174.700 0.047 0.000 0.984 367 T CA -0.783 61.351 62.100 0.057 0.000 1.049 367 T CB 1.562 70.461 68.868 0.052 0.000 0.947 367 T HN 0.463 nan 8.240 nan 0.000 0.472 368 K N 1.388 121.814 120.400 0.043 0.000 2.442 368 K HA -0.094 4.226 4.320 0.000 0.000 0.200 368 K C 1.209 177.826 176.600 0.029 0.000 1.045 368 K CA 0.791 57.098 56.287 0.034 0.000 0.937 368 K CB -0.108 32.409 32.500 0.027 0.000 0.757 368 K HN 0.555 nan 8.250 nan 0.000 0.474 369 N N 1.131 119.849 118.700 0.030 0.000 2.515 369 N HA -0.040 4.700 4.740 0.000 0.000 0.191 369 N C 0.274 175.799 175.510 0.026 0.000 1.182 369 N CA 0.329 53.394 53.050 0.025 0.000 0.879 369 N CB 0.158 38.660 38.487 0.025 0.000 0.984 369 N HN 0.077 nan 8.380 nan 0.000 0.453 370 R N 1.486 122.004 120.500 0.030 0.000 2.873 370 R HA 0.109 4.449 4.340 0.000 0.000 0.267 370 R C 0.337 176.652 176.300 0.026 0.000 1.009 370 R CA 0.635 56.753 56.100 0.031 0.000 1.152 370 R CB 0.404 30.728 30.300 0.041 0.000 1.047 370 R HN 0.093 nan 8.270 nan 0.000 0.470 371 K N 1.299 121.713 120.400 0.025 0.000 2.507 371 K HA 0.143 4.463 4.320 0.000 0.000 0.251 371 K C -0.875 175.736 176.600 0.019 0.000 0.943 371 K CA -0.506 55.792 56.287 0.019 0.000 0.794 371 K CB 1.894 34.403 32.500 0.015 0.000 1.188 371 K HN 0.477 nan 8.250 nan 0.000 0.428 372 E N 2.327 122.535 120.200 0.014 0.000 2.291 372 E HA -0.234 4.116 4.350 0.000 0.000 0.181 372 E C -0.348 176.263 176.600 0.018 0.000 1.480 372 E CA 0.523 56.929 56.400 0.010 0.000 0.674 372 E CB -1.098 28.606 29.700 0.006 0.000 1.108 372 E HN 0.537 nan 8.360 nan 0.000 0.357 373 M N -0.682 118.933 119.600 0.026 0.000 2.753 373 M HA 0.474 4.954 4.480 0.000 0.000 0.299 373 M C 0.123 176.430 176.300 0.013 0.000 1.219 373 M CA -0.859 54.473 55.300 0.053 0.000 0.900 373 M CB 1.357 34.010 32.600 0.088 0.000 1.628 373 M HN 0.016 nan 8.290 nan 0.000 0.502 374 N N 0.876 119.573 118.700 -0.005 0.000 2.488 374 N HA 0.247 4.987 4.740 0.000 0.000 0.274 374 N C -2.223 173.210 175.510 -0.129 0.000 1.111 374 N CA -1.349 51.590 53.050 -0.186 0.000 0.974 374 N CB 1.384 39.521 38.487 -0.584 0.000 1.089 374 N HN 0.415 nan 8.380 nan 0.000 0.465 375 P HA -0.111 nan 4.420 nan 0.000 0.216 375 P C 0.868 178.128 177.300 -0.066 0.000 1.150 375 P CA 1.612 64.666 63.100 -0.075 0.000 0.843 375 P CB 0.272 31.926 31.700 -0.077 0.000 0.787 376 R N -1.798 118.620 120.500 -0.137 0.000 2.092 376 R HA -0.115 4.225 4.340 0.000 0.000 0.231 376 R C 2.347 178.733 176.300 0.144 0.000 1.119 376 R CA 1.205 57.269 56.100 -0.060 0.000 0.970 376 R CB -0.909 29.272 30.300 -0.198 0.000 0.864 376 R HN 0.469 nan 8.270 nan 0.000 0.440 377 H N -0.097 119.010 119.070 0.062 0.000 2.293 377 H HA -0.099 4.457 4.556 0.000 0.000 0.300 377 H C 2.253 177.656 175.328 0.125 0.000 1.082 377 H CA 1.139 57.271 56.048 0.139 0.000 1.308 377 H CB -0.001 29.792 29.762 0.053 0.000 1.375 377 H HN -0.082 nan 8.280 nan 0.000 0.495 378 V N 1.646 121.662 119.914 0.170 0.000 2.243 378 V HA -0.444 3.676 4.120 0.000 0.000 0.258 378 V C 2.461 178.551 176.094 -0.006 0.000 1.073 378 V CA 2.548 64.887 62.300 0.064 0.000 1.069 378 V CB -0.897 30.934 31.823 0.014 0.000 0.681 378 V HN 0.673 nan 8.190 nan 0.000 0.457 379 Q N -0.984 118.748 119.800 -0.115 0.000 2.515 379 Q HA -0.170 4.170 4.340 0.000 0.000 0.215 379 Q C 1.652 177.381 176.000 -0.452 0.000 0.983 379 Q CA 2.162 57.780 55.803 -0.309 0.000 0.905 379 Q CB -0.366 28.098 28.738 -0.456 0.000 0.961 379 Q HN 0.683 nan 8.270 nan 0.000 0.503 380 F N 0.348 120.291 119.950 -0.012 0.000 2.724 380 F HA 0.431 4.958 4.527 0.000 0.000 0.306 380 F C 1.031 176.794 175.800 -0.060 0.000 1.100 380 F CA -0.429 57.543 58.000 -0.046 0.000 1.255 380 F CB 0.431 39.409 39.000 -0.036 0.000 1.072 380 F HN 0.063 nan 8.300 nan 0.000 0.589 381 A N 1.728 124.616 122.820 0.114 0.000 2.546 381 A HA 0.201 4.521 4.320 0.000 0.000 0.243 381 A C 0.204 177.815 177.584 0.045 0.000 1.063 381 A CA 0.019 52.100 52.037 0.073 0.000 0.757 381 A CB 0.086 19.122 19.000 0.059 0.000 0.991 381 A HN -0.016 nan 8.150 nan 0.000 0.503 382 K N 1.745 122.183 120.400 0.063 0.000 2.110 382 K HA 0.219 4.539 4.320 0.000 0.000 0.263 382 K C -0.556 176.088 176.600 0.073 0.000 0.975 382 K CA -0.534 55.797 56.287 0.073 0.000 0.895 382 K CB 1.388 33.981 32.500 0.155 0.000 1.060 382 K HN 0.703 nan 8.250 nan 0.000 0.448 383 D N 2.808 123.247 120.400 0.065 0.000 3.060 383 D HA 0.088 4.728 4.640 0.000 0.000 0.245 383 D C -0.085 176.252 176.300 0.061 0.000 1.274 383 D CA -0.055 53.977 54.000 0.053 0.000 0.864 383 D CB -0.231 40.592 40.800 0.039 0.000 1.073 383 D HN 0.404 nan 8.370 nan 0.000 0.473 384 M N -1.789 117.856 119.600 0.075 0.000 2.819 384 M HA 0.699 5.179 4.480 0.000 0.000 0.300 384 M C -2.527 173.807 176.300 0.057 0.000 1.237 384 M CA -2.059 53.283 55.300 0.070 0.000 0.813 384 M CB 1.173 33.830 32.600 0.095 0.000 1.755 384 M HN -0.322 nan 8.290 nan 0.000 0.484 385 P HA 0.081 nan 4.420 nan 0.000 0.269 385 P C -1.226 176.100 177.300 0.043 0.000 1.217 385 P CA 0.189 63.311 63.100 0.036 0.000 0.783 385 P CB 0.223 31.939 31.700 0.026 0.000 0.898 386 E N 0.319 120.541 120.200 0.038 0.000 2.001 386 E HA 0.356 4.706 4.350 0.000 0.000 0.279 386 E C 0.333 176.956 176.600 0.039 0.000 1.045 386 E CA -0.125 56.300 56.400 0.042 0.000 0.833 386 E CB 0.329 30.051 29.700 0.037 0.000 1.077 386 E HN 0.310 nan 8.360 nan 0.000 0.397 387 T N 0.636 115.218 114.554 0.046 0.000 2.927 387 T HA 0.504 4.854 4.350 0.000 0.000 0.286 387 T C 0.484 175.221 174.700 0.061 0.000 1.040 387 T CA -0.435 61.692 62.100 0.044 0.000 1.010 387 T CB 1.411 70.299 68.868 0.034 0.000 1.177 387 T HN 0.294 nan 8.240 nan 0.000 0.546 388 T N 0.819 115.411 114.554 0.062 0.000 2.969 388 T HA 0.296 4.646 4.350 0.000 0.000 0.258 388 T C 0.543 175.300 174.700 0.095 0.000 0.962 388 T CA -0.109 62.045 62.100 0.090 0.000 0.903 388 T CB 0.273 69.188 68.868 0.077 0.000 1.177 388 T HN 0.543 nan 8.240 nan 0.000 0.511 389 S N 1.023 116.754 115.700 0.052 0.000 2.545 389 S HA 0.371 4.841 4.470 0.000 0.000 0.275 389 S C 1.397 175.996 174.600 -0.001 0.000 1.299 389 S CA -0.541 57.671 58.200 0.020 0.000 1.048 389 S CB 0.086 63.286 63.200 -0.001 0.000 0.938 389 S HN 0.269 nan 8.310 nan 0.000 0.496 390 I N 4.818 125.356 120.570 -0.054 0.000 2.252 390 I HA -0.184 3.986 4.170 0.000 0.000 0.245 390 I C 2.086 178.145 176.117 -0.098 0.000 1.102 390 I CA 1.111 62.350 61.300 -0.102 0.000 1.385 390 I CB -0.299 37.557 38.000 -0.240 0.000 1.064 390 I HN 0.668 nan 8.210 nan 0.000 0.414 391 L N 0.452 121.619 121.223 -0.094 0.000 2.043 391 L HA -0.256 4.084 4.340 0.000 0.000 0.212 391 L C 2.407 179.234 176.870 -0.073 0.000 1.075 391 L CA 1.599 56.386 54.840 -0.088 0.000 0.752 391 L CB -0.592 41.423 42.059 -0.073 0.000 0.891 391 L HN 0.283 nan 8.230 nan 0.000 0.432 392 E N -0.798 119.372 120.200 -0.051 0.000 2.409 392 E HA -0.136 4.214 4.350 0.000 0.000 0.198 392 E C 1.993 178.564 176.600 -0.048 0.000 1.024 392 E CA 0.733 57.109 56.400 -0.040 0.000 0.861 392 E CB 0.227 29.916 29.700 -0.018 0.000 0.788 392 E HN 0.376 nan 8.360 nan 0.000 0.521 393 V N 0.344 120.224 119.914 -0.056 0.000 2.795 393 V HA -0.070 4.050 4.120 0.000 0.000 0.243 393 V C 2.020 178.033 176.094 -0.135 0.000 1.069 393 V CA 0.511 62.766 62.300 -0.075 0.000 1.089 393 V CB -0.034 31.774 31.823 -0.026 0.000 0.756 393 V HN 0.219 nan 8.190 nan 0.000 0.471 394 I N 0.411 120.902 120.570 -0.131 0.000 2.286 394 I HA -0.215 3.955 4.170 0.000 0.000 0.248 394 I C 2.657 178.689 176.117 -0.142 0.000 1.115 394 I CA 1.423 62.630 61.300 -0.156 0.000 1.392 394 I CB -0.189 37.717 38.000 -0.158 0.000 1.065 394 I HN 0.229 nan 8.210 nan 0.000 0.418 395 R N 1.021 121.453 120.500 -0.114 0.000 2.193 395 R HA 0.049 4.389 4.340 0.000 0.000 0.213 395 R C 1.965 178.207 176.300 -0.097 0.000 1.055 395 R CA 1.240 57.283 56.100 -0.095 0.000 0.995 395 R CB -0.216 30.040 30.300 -0.074 0.000 0.893 395 R HN 0.327 nan 8.270 nan 0.000 0.459 396 A N -0.317 122.436 122.820 -0.112 0.000 1.844 396 A HA 0.235 4.555 4.320 0.000 0.000 0.212 396 A C 1.988 179.479 177.584 -0.156 0.000 1.221 396 A CA 1.032 53.003 52.037 -0.109 0.000 0.607 396 A CB -0.724 18.220 19.000 -0.092 0.000 0.878 396 A HN 0.330 nan 8.150 nan 0.000 0.451 397 A N -1.285 121.373 122.820 -0.270 0.000 2.275 397 A HA 0.312 4.632 4.320 0.000 0.000 0.212 397 A C 0.815 178.225 177.584 -0.290 0.000 1.201 397 A CA -0.090 51.716 52.037 -0.386 0.000 0.843 397 A CB -0.318 18.091 19.000 -0.985 0.000 0.873 397 A HN 0.429 nan 8.150 nan 0.000 0.492 398 R N -0.247 120.122 120.500 -0.218 0.000 2.747 398 R HA -0.138 4.202 4.340 0.000 0.000 0.236 398 R C -2.364 173.829 176.300 -0.179 0.000 0.819 398 R CA 0.595 56.593 56.100 -0.170 0.000 0.575 398 R CB -1.530 28.698 30.300 -0.121 0.000 1.219 398 R HN 0.484 nan 8.270 nan 0.000 0.518 399 P HA 0.023 nan 4.420 nan 0.000 0.274 399 P C 0.681 177.858 177.300 -0.205 0.000 1.231 399 P CA 0.069 63.047 63.100 -0.204 0.000 0.790 399 P CB 0.951 32.532 31.700 -0.199 0.000 0.951 400 G N 0.561 109.208 108.800 -0.255 0.000 2.777 400 G HA2 0.327 4.287 3.960 0.000 0.000 0.211 400 G HA3 0.327 4.287 3.960 0.000 0.000 0.211 400 G C 0.350 175.094 174.900 -0.261 0.000 1.149 400 G CA 0.330 45.285 45.100 -0.243 0.000 0.785 400 G HN 0.824 nan 8.290 nan 0.000 0.536 401 A N -0.336 122.291 122.820 -0.323 0.000 2.455 401 A HA 0.689 5.010 4.320 0.000 0.000 0.300 401 A C -1.788 175.665 177.584 -0.218 0.000 1.040 401 A CA -0.562 51.320 52.037 -0.258 0.000 0.697 401 A CB 1.988 20.829 19.000 -0.266 0.000 1.265 401 A HN 0.364 nan 8.150 nan 0.000 0.407 402 L N 3.001 124.114 121.223 -0.182 0.000 2.325 402 L HA 0.748 5.089 4.340 0.000 0.000 0.281 402 L C -1.248 175.604 176.870 -0.029 0.000 1.004 402 L CA -0.246 54.482 54.840 -0.186 0.000 0.823 402 L CB 0.928 42.771 42.059 -0.361 0.000 1.236 402 L HN 0.582 nan 8.230 nan 0.000 0.415 403 I N 4.764 125.343 120.570 0.015 0.000 2.418 403 I HA 0.494 4.664 4.170 0.000 0.000 0.287 403 I C 0.415 176.823 176.117 0.484 0.000 1.008 403 I CA -0.585 60.847 61.300 0.220 0.000 1.104 403 I CB 1.895 39.879 38.000 -0.027 0.000 1.264 403 I HN 0.752 nan 8.210 nan 0.000 0.438 404 G N 4.621 113.767 108.800 0.577 0.000 2.335 404 G HA2 0.652 4.612 3.960 0.000 0.000 0.314 404 G HA3 0.652 4.612 3.960 0.000 0.000 0.314 404 G C -0.386 174.662 174.900 0.247 0.000 1.129 404 G CA -0.360 44.989 45.100 0.415 0.000 0.912 404 G HN 0.747 nan 8.290 nan 0.000 0.443 405 A N 2.214 125.157 122.820 0.205 0.000 3.300 405 A HA 0.690 5.010 4.320 0.000 0.000 0.300 405 A C -0.045 177.554 177.584 0.025 0.000 1.099 405 A CA -0.185 51.923 52.037 0.118 0.000 0.846 405 A CB 0.278 19.367 19.000 0.148 0.000 1.255 405 A HN 1.718 nan 8.150 nan 0.000 0.519 406 S N -0.913 114.780 115.700 -0.011 0.000 2.584 406 S HA 0.412 4.882 4.470 0.000 0.000 0.280 406 S C 0.747 175.323 174.600 -0.040 0.000 1.162 406 S CA 0.254 58.406 58.200 -0.081 0.000 0.951 406 S CB 0.659 63.703 63.200 -0.261 0.000 1.108 406 S HN 0.544 nan 8.310 nan 0.000 0.464 407 T N 1.738 116.272 114.554 -0.033 0.000 2.780 407 T HA -0.262 4.088 4.350 0.000 0.000 0.255 407 T C 1.280 175.981 174.700 0.000 0.000 1.065 407 T CA 2.286 64.377 62.100 -0.015 0.000 1.155 407 T CB -1.475 67.383 68.868 -0.018 0.000 0.837 407 T HN 1.806 nan 8.240 nan 0.000 0.479 408 V N 1.797 121.720 119.914 0.016 0.000 2.621 408 V HA 0.045 4.165 4.120 0.000 0.000 0.300 408 V C 0.516 176.627 176.094 0.029 0.000 1.031 408 V CA -0.442 61.888 62.300 0.051 0.000 1.210 408 V CB -0.612 31.297 31.823 0.144 0.000 0.864 408 V HN 0.396 nan 8.190 nan 0.000 0.477 409 R N 4.364 124.877 120.500 0.022 0.000 2.531 409 R HA 0.504 4.844 4.340 0.000 0.000 0.273 409 R C 1.231 177.537 176.300 0.010 0.000 1.070 409 R CA 0.258 56.366 56.100 0.013 0.000 1.112 409 R CB 0.700 31.011 30.300 0.019 0.000 1.049 409 R HN 1.710 nan 8.270 nan 0.000 0.508 410 G N 2.235 111.035 108.800 -0.001 0.000 2.416 410 G HA2 -0.356 3.604 3.960 0.000 0.000 0.301 410 G HA3 -0.356 3.604 3.960 0.000 0.000 0.301 410 G C 0.729 175.637 174.900 0.013 0.000 0.985 410 G CA 0.721 45.827 45.100 0.010 0.000 0.934 410 G HN 0.815 nan 8.290 nan 0.000 0.513 411 A N -0.670 122.124 122.820 -0.045 0.000 2.015 411 A HA 0.331 4.651 4.320 0.000 0.000 0.219 411 A C 1.111 178.736 177.584 0.070 0.000 1.163 411 A CA 0.545 52.567 52.037 -0.024 0.000 0.646 411 A CB 0.024 19.027 19.000 0.006 0.000 0.806 411 A HN 0.647 nan 8.150 nan 0.000 0.448 412 F N 1.891 121.816 119.950 -0.042 0.000 2.384 412 F HA 0.177 4.704 4.527 0.000 0.000 0.359 412 F C 0.356 176.153 175.800 -0.005 0.000 1.143 412 F CA -1.160 56.807 58.000 -0.054 0.000 1.216 412 F CB 0.176 39.172 39.000 -0.008 0.000 1.512 412 F HN 0.342 nan 8.300 nan 0.000 0.573 413 N N 0.321 119.116 118.700 0.159 0.000 2.408 413 N HA 0.012 4.752 4.740 0.000 0.000 0.260 413 N C 0.947 176.514 175.510 0.094 0.000 1.242 413 N CA -0.598 52.519 53.050 0.112 0.000 0.959 413 N CB 0.530 39.038 38.487 0.036 0.000 1.201 413 N HN 0.519 nan 8.380 nan 0.000 0.511 414 E N -0.219 119.990 120.200 0.016 0.000 2.114 414 E HA -0.349 4.001 4.350 0.000 0.000 0.199 414 E C 0.892 177.377 176.600 -0.192 0.000 1.008 414 E CA 1.736 57.962 56.400 -0.290 0.000 0.810 414 E CB -0.058 29.008 29.700 -1.055 0.000 0.739 414 E HN 0.736 nan 8.360 nan 0.000 0.456 415 E N -0.204 119.907 120.200 -0.148 0.000 2.150 415 E HA -0.157 4.193 4.350 0.000 0.000 0.193 415 E C 2.244 178.790 176.600 -0.090 0.000 0.985 415 E CA 1.298 57.628 56.400 -0.117 0.000 0.814 415 E CB 0.080 29.723 29.700 -0.096 0.000 0.752 415 E HN 0.200 nan 8.360 nan 0.000 0.466 416 V N 1.637 121.507 119.914 -0.073 0.000 2.307 416 V HA -0.232 3.888 4.120 0.000 0.000 0.245 416 V C 2.277 178.299 176.094 -0.120 0.000 1.045 416 V CA 1.479 63.713 62.300 -0.110 0.000 1.024 416 V CB -0.398 31.357 31.823 -0.113 0.000 0.651 416 V HN 0.237 nan 8.190 nan 0.000 0.449 417 I N -0.678 119.864 120.570 -0.047 0.000 2.202 417 I HA -0.164 4.006 4.170 0.000 0.000 0.242 417 I C 2.803 178.913 176.117 -0.011 0.000 1.091 417 I CA 1.157 62.448 61.300 -0.015 0.000 1.368 417 I CB -0.520 37.547 38.000 0.112 0.000 1.058 417 I HN 0.184 nan 8.210 nan 0.000 0.410 418 R N 1.128 121.621 120.500 -0.012 0.000 2.117 418 R HA -0.151 4.189 4.340 0.000 0.000 0.243 418 R C 2.280 178.551 176.300 -0.048 0.000 1.143 418 R CA 1.637 57.719 56.100 -0.030 0.000 0.968 418 R CB -0.956 29.298 30.300 -0.077 0.000 0.863 418 R HN 0.417 nan 8.270 nan 0.000 0.444 419 A N 0.431 123.209 122.820 -0.070 0.000 2.015 419 A HA -0.075 4.245 4.320 0.000 0.000 0.219 419 A C 2.130 179.664 177.584 -0.084 0.000 1.163 419 A CA 1.025 53.014 52.037 -0.080 0.000 0.646 419 A CB -0.183 18.760 19.000 -0.096 0.000 0.806 419 A HN 0.074 nan 8.150 nan 0.000 0.448 420 M N -0.655 118.892 119.600 -0.089 0.000 2.160 420 M HA 0.036 4.516 4.480 0.000 0.000 0.264 420 M C 2.512 178.778 176.300 -0.056 0.000 1.073 420 M CA 1.454 56.700 55.300 -0.091 0.000 1.142 420 M CB -1.497 31.039 32.600 -0.107 0.000 1.358 420 M HN 0.440 nan 8.290 nan 0.000 0.422 421 A N 0.104 122.906 122.820 -0.031 0.000 2.019 421 A HA -0.168 4.152 4.320 0.000 0.000 0.219 421 A C 2.085 179.655 177.584 -0.022 0.000 1.164 421 A CA 1.650 53.680 52.037 -0.011 0.000 0.644 421 A CB -0.637 18.370 19.000 0.012 0.000 0.805 421 A HN 0.577 nan 8.150 nan 0.000 0.449 422 E N -0.528 119.652 120.200 -0.034 0.000 2.072 422 E HA -0.038 4.312 4.350 0.000 0.000 0.190 422 E C 1.695 178.269 176.600 -0.043 0.000 0.982 422 E CA 1.053 57.431 56.400 -0.037 0.000 0.803 422 E CB -0.150 29.524 29.700 -0.043 0.000 0.755 422 E HN 0.708 nan 8.360 nan 0.000 0.453 423 I N 0.917 121.453 120.570 -0.055 0.000 2.876 423 I HA -0.049 4.122 4.170 0.000 0.000 0.264 423 I C 0.233 176.314 176.117 -0.060 0.000 1.204 423 I CA 0.345 61.608 61.300 -0.062 0.000 1.485 423 I CB 0.017 37.968 38.000 -0.082 0.000 1.103 423 I HN -0.034 nan 8.210 nan 0.000 0.446 424 N N 0.730 119.398 118.700 -0.054 0.000 2.295 424 N HA 0.176 4.916 4.740 0.000 0.000 0.293 424 N C 0.122 175.615 175.510 -0.029 0.000 1.040 424 N CA -0.346 52.675 53.050 -0.048 0.000 0.840 424 N CB 2.031 40.481 38.487 -0.062 0.000 1.468 424 N HN 0.012 nan 8.380 nan 0.000 0.478 425 E N 0.796 120.982 120.200 -0.024 0.000 2.097 425 E HA -0.112 4.238 4.350 0.000 0.000 0.196 425 E C -0.098 176.501 176.600 -0.001 0.000 1.000 425 E CA 1.200 57.592 56.400 -0.013 0.000 0.804 425 E CB 0.284 29.976 29.700 -0.014 0.000 0.740 425 E HN 0.229 nan 8.360 nan 0.000 0.454 426 R N 0.495 120.995 120.500 0.001 0.000 2.629 426 R HA 0.244 4.585 4.340 0.000 0.000 0.275 426 R C -2.639 173.672 176.300 0.020 0.000 1.719 426 R CA -1.910 54.205 56.100 0.024 0.000 1.472 426 R CB 0.890 31.207 30.300 0.029 0.000 1.237 426 R HN 0.115 nan 8.270 nan 0.000 0.589 427 P HA 0.154 nan 4.420 nan 0.000 0.271 427 P C -0.004 177.319 177.300 0.038 0.000 1.216 427 P CA -0.099 62.998 63.100 -0.005 0.000 0.776 427 P CB 1.158 32.849 31.700 -0.016 0.000 0.881 428 I N 4.217 124.782 120.570 -0.008 0.000 2.301 428 I HA 0.301 4.471 4.170 0.000 0.000 0.292 428 I C 0.564 176.718 176.117 0.062 0.000 1.046 428 I CA -0.355 60.959 61.300 0.024 0.000 1.282 428 I CB 0.292 38.222 38.000 -0.115 0.000 1.409 428 I HN 0.138 nan 8.210 nan 0.000 0.484 429 I N 6.862 127.595 120.570 0.272 0.000 2.411 429 I HA 0.333 4.503 4.170 0.000 0.000 0.284 429 I C -1.007 175.499 176.117 0.648 0.000 1.012 429 I CA -0.403 61.113 61.300 0.360 0.000 1.119 429 I CB 1.192 39.392 38.000 0.333 0.000 1.261 429 I HN 0.325 nan 8.210 nan 0.000 0.448 430 F N 4.829 124.886 119.950 0.179 0.000 2.449 430 F HA 0.568 5.095 4.527 0.000 0.000 0.342 430 F C 0.387 176.313 175.800 0.211 0.000 1.127 430 F CA -1.341 56.708 58.000 0.081 0.000 0.975 430 F CB 1.988 41.048 39.000 0.101 0.000 1.146 430 F HN 0.390 nan 8.300 nan 0.000 0.444 431 A N 4.846 127.759 122.820 0.156 0.000 2.511 431 A HA 0.532 4.852 4.320 0.000 0.000 0.340 431 A C 0.317 177.945 177.584 0.072 0.000 1.396 431 A CA -0.291 51.836 52.037 0.150 0.000 0.887 431 A CB -0.017 19.098 19.000 0.192 0.000 1.145 431 A HN 0.616 nan 8.150 nan 0.000 0.497 432 L N 1.184 122.475 121.223 0.114 0.000 2.209 432 L HA 0.066 4.406 4.340 0.000 0.000 0.207 432 L C 1.450 178.360 176.870 0.066 0.000 1.094 432 L CA 0.907 55.801 54.840 0.091 0.000 0.790 432 L CB -1.201 40.947 42.059 0.148 0.000 0.932 432 L HN 0.533 nan 8.230 nan 0.000 0.447 433 S N 1.402 117.136 115.700 0.056 0.000 2.702 433 S HA -0.020 4.450 4.470 0.000 0.000 0.314 433 S C 0.502 175.119 174.600 0.029 0.000 1.244 433 S CA 0.147 58.367 58.200 0.034 0.000 1.058 433 S CB -0.169 63.041 63.200 0.016 0.000 0.783 433 S HN 0.298 nan 8.310 nan 0.000 0.503 434 N N 3.240 121.947 118.700 0.011 0.000 2.384 434 N HA 0.515 5.255 4.740 0.000 0.000 0.301 434 N C -2.492 173.005 175.510 -0.022 0.000 1.133 434 N CA -1.361 51.684 53.050 -0.009 0.000 0.853 434 N CB 1.427 39.904 38.487 -0.015 0.000 1.241 434 N HN 0.269 nan 8.380 nan 0.000 0.502 435 P HA 0.218 nan 4.420 nan 0.000 0.312 435 P C 1.079 178.342 177.300 -0.062 0.000 1.308 435 P CA -0.035 63.028 63.100 -0.062 0.000 0.743 435 P CB 0.162 31.816 31.700 -0.077 0.000 1.364 436 T N -2.862 111.612 114.554 -0.134 0.000 2.653 436 T HA -0.212 4.138 4.350 0.000 0.000 0.268 436 T C 1.606 176.296 174.700 -0.016 0.000 1.035 436 T CA 2.007 64.007 62.100 -0.165 0.000 1.154 436 T CB -1.802 66.810 68.868 -0.427 0.000 0.862 436 T HN 0.414 nan 8.240 nan 0.000 0.441 437 S N 1.111 116.788 115.700 -0.038 0.000 2.711 437 S HA 0.063 4.533 4.470 0.000 0.000 0.237 437 S C 1.126 175.730 174.600 0.008 0.000 0.971 437 S CA 0.332 58.528 58.200 -0.007 0.000 0.964 437 S CB -0.514 62.671 63.200 -0.025 0.000 0.775 437 S HN 0.729 nan 8.310 nan 0.000 0.540 438 K N -0.014 120.397 120.400 0.018 0.000 2.582 438 K HA 0.355 4.675 4.320 0.000 0.000 0.204 438 K C -0.051 176.567 176.600 0.031 0.000 1.221 438 K CA 0.089 56.386 56.287 0.016 0.000 1.048 438 K CB 1.095 33.596 32.500 0.001 0.000 1.011 438 K HN 0.338 nan 8.250 nan 0.000 0.597 439 A N 1.417 124.284 122.820 0.077 0.000 2.488 439 A HA 0.063 4.384 4.320 0.000 0.000 0.249 439 A C 0.837 178.434 177.584 0.021 0.000 1.083 439 A CA 0.019 52.123 52.037 0.112 0.000 0.768 439 A CB 0.305 19.497 19.000 0.319 0.000 1.017 439 A HN 0.173 nan 8.150 nan 0.000 0.496 440 E N 0.221 120.363 120.200 -0.096 0.000 2.208 440 E HA -0.170 4.180 4.350 0.000 0.000 0.202 440 E C 0.701 177.180 176.600 -0.202 0.000 1.014 440 E CA 1.928 58.111 56.400 -0.361 0.000 0.819 440 E CB -0.505 28.593 29.700 -1.004 0.000 0.735 440 E HN 1.071 nan 8.360 nan 0.000 0.469 441 C N -2.831 116.454 119.300 -0.025 0.000 3.279 441 C HA 0.520 4.980 4.460 0.000 0.000 0.386 441 C C 0.360 175.269 174.990 -0.135 0.000 1.081 441 C CA -0.673 58.338 59.018 -0.011 0.000 1.192 441 C CB 0.591 28.392 27.740 0.103 0.000 1.552 441 C HN 0.303 nan 8.230 nan 0.000 0.559 442 T N 0.770 115.120 114.554 -0.339 0.000 2.689 442 T HA 0.581 4.931 4.350 0.000 0.000 0.308 442 T C 1.295 175.264 174.700 -1.218 0.000 1.021 442 T CA 0.415 62.023 62.100 -0.820 0.000 0.973 442 T CB 0.712 69.237 68.868 -0.573 0.000 1.113 442 T HN 2.102 nan 8.240 nan 0.000 0.522 443 A N -0.530 121.382 122.820 -1.513 0.000 1.878 443 A HA 0.093 4.413 4.320 0.000 0.000 0.213 443 A C 2.312 179.186 177.584 -1.183 0.000 1.192 443 A CA 1.302 52.414 52.037 -1.542 0.000 0.619 443 A CB -1.157 17.291 19.000 -0.920 0.000 0.837 443 A HN 1.027 nan 8.150 nan 0.000 0.446 444 E N 0.143 119.722 120.200 -1.036 0.000 2.130 444 E HA -0.267 4.083 4.350 0.000 0.000 0.196 444 E C 1.811 177.826 176.600 -0.975 0.000 0.998 444 E CA 1.690 57.284 56.400 -1.343 0.000 0.806 444 E CB -0.101 28.876 29.700 -1.204 0.000 0.738 444 E HN 0.763 nan 8.360 nan 0.000 0.459 445 E N -0.074 119.584 120.200 -0.904 0.000 2.028 445 E HA -0.144 4.206 4.350 0.000 0.000 0.190 445 E C 2.120 178.230 176.600 -0.817 0.000 0.984 445 E CA 0.787 56.581 56.400 -1.009 0.000 0.800 445 E CB -0.177 29.112 29.700 -0.685 0.000 0.758 445 E HN 0.346 nan 8.360 nan 0.000 0.448 446 A N 0.896 123.268 122.820 -0.748 0.000 1.892 446 A HA -0.224 4.096 4.320 0.000 0.000 0.218 446 A C 1.991 179.396 177.584 -0.298 0.000 1.188 446 A CA 1.484 53.181 52.037 -0.566 0.000 0.631 446 A CB -1.065 17.313 19.000 -1.036 0.000 0.822 446 A HN 0.357 nan 8.150 nan 0.000 0.447 447 Y N -0.409 119.655 120.300 -0.393 0.000 2.220 447 Y HA -0.154 4.396 4.550 0.000 0.000 0.291 447 Y C 3.073 178.868 175.900 -0.176 0.000 1.129 447 Y CA 0.930 58.862 58.100 -0.280 0.000 1.161 447 Y CB -0.432 37.812 38.460 -0.362 0.000 0.997 447 Y HN 0.297 nan 8.280 nan 0.000 0.522 448 T N 0.583 115.111 114.554 -0.043 0.000 2.588 448 T HA -0.195 4.155 4.350 0.000 0.000 0.261 448 T C 1.211 175.976 174.700 0.109 0.000 1.069 448 T CA 1.284 63.374 62.100 -0.017 0.000 1.172 448 T CB -0.829 67.904 68.868 -0.226 0.000 0.863 448 T HN 0.258 nan 8.240 nan 0.000 0.408 449 F N 1.477 121.410 119.950 -0.029 0.000 2.753 449 F HA 0.010 4.537 4.527 0.000 0.000 0.299 449 F C 1.810 177.595 175.800 -0.025 0.000 1.265 449 F CA -0.266 57.714 58.000 -0.034 0.000 1.453 449 F CB -0.460 38.507 39.000 -0.056 0.000 1.118 449 F HN 0.207 nan 8.300 nan 0.000 0.579 450 T N -1.856 112.786 114.554 0.147 0.000 3.029 450 T HA 0.012 4.362 4.350 0.000 0.000 0.256 450 T C 0.435 175.174 174.700 0.064 0.000 0.914 450 T CA -0.169 61.986 62.100 0.091 0.000 0.880 450 T CB 0.172 69.094 68.868 0.091 0.000 1.246 450 T HN 0.195 nan 8.240 nan 0.000 0.523 451 N N 1.006 119.741 118.700 0.059 0.000 2.858 451 N HA -0.159 4.582 4.740 0.000 0.000 0.247 451 N C 0.778 176.285 175.510 -0.005 0.000 1.092 451 N CA 0.796 53.862 53.050 0.026 0.000 0.675 451 N CB -1.326 37.174 38.487 0.022 0.000 0.959 451 N HN 0.741 nan 8.380 nan 0.000 0.558 452 G N -0.674 108.097 108.800 -0.048 0.000 2.269 452 G HA2 -0.249 3.711 3.960 0.000 0.000 0.277 452 G HA3 -0.249 3.711 3.960 0.000 0.000 0.277 452 G C 0.847 175.766 174.900 0.031 0.000 1.008 452 G CA 1.041 46.075 45.100 -0.110 0.000 0.774 452 G HN 1.062 nan 8.290 nan 0.000 0.511 453 A N -1.347 121.501 122.820 0.047 0.000 2.390 453 A HA 0.802 5.122 4.320 0.000 0.000 0.232 453 A C 1.329 178.978 177.584 0.107 0.000 1.233 453 A CA 1.424 53.496 52.037 0.058 0.000 0.907 453 A CB 0.267 19.286 19.000 0.031 0.000 0.967 453 A HN 1.893 nan 8.150 nan 0.000 0.512 454 A N -0.026 122.906 122.820 0.186 0.000 2.304 454 A HA 0.684 5.004 4.320 0.000 0.000 0.301 454 A C -0.378 177.433 177.584 0.379 0.000 1.132 454 A CA -0.375 51.813 52.037 0.253 0.000 0.819 454 A CB 0.300 19.453 19.000 0.255 0.000 1.094 454 A HN 0.344 nan 8.150 nan 0.000 0.492 455 L N 2.648 124.065 121.223 0.324 0.000 2.272 455 L HA 0.353 4.693 4.340 0.000 0.000 0.284 455 L C -0.774 176.389 176.870 0.488 0.000 1.045 455 L CA -0.206 54.854 54.840 0.366 0.000 0.842 455 L CB 0.172 42.376 42.059 0.242 0.000 1.224 455 L HN 0.793 nan 8.230 nan 0.000 0.430 456 Y N 3.473 123.986 120.300 0.354 0.000 2.509 456 Y HA 0.824 5.374 4.550 0.000 0.000 0.341 456 Y C -0.440 175.480 175.900 0.033 0.000 1.038 456 Y CA -0.688 57.523 58.100 0.186 0.000 1.089 456 Y CB 1.915 40.306 38.460 -0.115 0.000 1.241 456 Y HN 0.546 nan 8.280 nan 0.000 0.468 457 A N 2.382 124.574 122.820 -1.046 0.000 2.610 457 A HA 0.787 5.107 4.320 0.000 0.000 0.291 457 A C -1.384 175.509 177.584 -1.151 0.000 1.086 457 A CA -0.144 51.303 52.037 -0.984 0.000 0.677 457 A CB 0.976 19.323 19.000 -1.087 0.000 1.278 457 A HN 1.138 nan 8.150 nan 0.000 0.414 458 S N -0.979 114.390 115.700 -0.551 0.000 2.705 458 S HA 0.723 5.193 4.470 0.000 0.000 0.280 458 S C 0.795 175.339 174.600 -0.093 0.000 1.174 458 S CA -0.004 58.044 58.200 -0.253 0.000 0.823 458 S CB 1.082 64.325 63.200 0.071 0.000 1.162 458 S HN 1.924 nan 8.310 nan 0.000 0.487 459 G N 0.128 108.924 108.800 -0.007 0.000 2.494 459 G HA2 0.317 4.277 3.960 0.000 0.000 0.216 459 G HA3 0.317 4.277 3.960 0.000 0.000 0.216 459 G C 0.218 175.113 174.900 -0.009 0.000 1.140 459 G CA 0.181 45.280 45.100 -0.002 0.000 0.801 459 G HN 0.673 nan 8.290 nan 0.000 0.536 460 S N 1.044 116.741 115.700 -0.005 0.000 2.568 460 S HA 0.562 5.032 4.470 0.000 0.000 0.302 460 S C -2.655 171.875 174.600 -0.117 0.000 1.082 460 S CA -0.983 57.166 58.200 -0.086 0.000 1.009 460 S CB 2.618 65.720 63.200 -0.164 0.000 1.069 460 S HN 0.049 nan 8.310 nan 0.000 0.500 461 P HA 0.259 nan 4.420 nan 0.000 0.268 461 P C -1.289 175.846 177.300 -0.274 0.000 1.205 461 P CA 0.025 63.072 63.100 -0.088 0.000 0.771 461 P CB 0.176 31.843 31.700 -0.055 0.000 0.858 462 F N 2.800 122.788 119.950 0.064 0.000 2.547 462 F HA 0.341 4.868 4.527 0.000 0.000 0.316 462 F C -1.524 174.327 175.800 0.085 0.000 1.121 462 F CA -2.002 56.034 58.000 0.060 0.000 0.911 462 F CB 1.737 40.777 39.000 0.067 0.000 1.179 462 F HN 0.244 nan 8.300 nan 0.000 0.443 463 P HA -0.017 nan 4.420 nan 0.000 0.270 463 P C -0.781 176.673 177.300 0.257 0.000 1.221 463 P CA -0.208 63.010 63.100 0.197 0.000 0.788 463 P CB 0.631 32.423 31.700 0.154 0.000 0.904 464 N N 0.546 119.388 118.700 0.236 0.000 2.492 464 N HA 0.126 4.866 4.740 0.000 0.000 0.262 464 N C -0.569 175.156 175.510 0.359 0.000 1.202 464 N CA 0.232 53.453 53.050 0.284 0.000 0.926 464 N CB -0.278 38.334 38.487 0.208 0.000 1.078 464 N HN 0.367 nan 8.380 nan 0.000 0.454 465 F N 1.317 121.406 119.950 0.232 0.000 2.449 465 F HA 0.312 4.840 4.527 0.000 0.000 0.342 465 F C -0.082 175.868 175.800 0.249 0.000 1.127 465 F CA -1.120 56.995 58.000 0.192 0.000 0.975 465 F CB 0.913 40.002 39.000 0.149 0.000 1.146 465 F HN 0.350 nan 8.300 nan 0.000 0.444 466 E N 5.798 125.825 120.200 -0.289 0.000 2.174 466 E HA 0.482 4.832 4.350 0.000 0.000 0.282 466 E C -1.584 174.612 176.600 -0.673 0.000 0.992 466 E CA -0.794 55.424 56.400 -0.303 0.000 0.803 466 E CB 1.990 31.633 29.700 -0.095 0.000 1.090 466 E HN 0.539 nan 8.360 nan 0.000 0.396 467 L N 4.621 125.601 121.223 -0.405 0.000 2.457 467 L HA 0.347 4.687 4.340 0.000 0.000 0.266 467 L C -1.083 175.776 176.870 -0.018 0.000 0.979 467 L CA -0.259 54.379 54.840 -0.337 0.000 0.857 467 L CB 0.816 42.585 42.059 -0.483 0.000 1.213 467 L HN 0.489 nan 8.230 nan 0.000 0.418 468 N N 3.938 122.639 118.700 0.002 0.000 2.780 468 N HA -0.181 4.559 4.740 0.000 0.000 0.248 468 N C 0.918 176.504 175.510 0.128 0.000 1.102 468 N CA 1.299 54.398 53.050 0.082 0.000 0.697 468 N CB -1.354 37.202 38.487 0.115 0.000 1.028 468 N HN 1.265 nan 8.380 nan 0.000 0.554 469 G N -1.379 107.433 108.800 0.019 0.000 2.363 469 G HA2 -0.360 3.600 3.960 0.000 0.000 0.238 469 G HA3 -0.360 3.600 3.960 0.000 0.000 0.238 469 G C -0.064 174.739 174.900 -0.162 0.000 1.062 469 G CA 0.680 45.730 45.100 -0.085 0.000 0.629 469 G HN 0.691 nan 8.290 nan 0.000 0.514 470 H N 1.703 120.733 119.070 -0.067 0.000 2.646 470 H HA 0.592 5.148 4.556 0.000 0.000 0.325 470 H C 0.595 175.840 175.328 -0.138 0.000 1.075 470 H CA 0.767 56.736 56.048 -0.131 0.000 1.421 470 H CB 1.051 30.712 29.762 -0.168 0.000 1.461 470 H HN 0.198 nan 8.280 nan 0.000 0.525 471 T N 2.951 117.440 114.554 -0.109 0.000 2.922 471 T HA 0.350 4.700 4.350 0.000 0.000 0.285 471 T C -0.670 173.906 174.700 -0.207 0.000 1.005 471 T CA -0.420 61.646 62.100 -0.057 0.000 1.061 471 T CB 0.420 69.269 68.868 -0.033 0.000 1.007 471 T HN 0.374 nan 8.240 nan 0.000 0.502 472 Y N 0.674 120.975 120.300 0.001 0.000 2.442 472 Y HA 0.462 5.012 4.550 0.000 0.000 0.344 472 Y C 0.328 176.348 175.900 0.200 0.000 0.976 472 Y CA -1.081 57.058 58.100 0.066 0.000 1.040 472 Y CB 1.885 40.373 38.460 0.048 0.000 1.228 472 Y HN 0.436 nan 8.280 nan 0.000 0.451 473 K N 4.198 124.801 120.400 0.338 0.000 2.753 473 K HA 0.267 4.587 4.320 0.000 0.000 0.185 473 K C -2.955 173.850 176.600 0.341 0.000 1.071 473 K CA -1.817 54.648 56.287 0.297 0.000 0.999 473 K CB 1.069 33.681 32.500 0.185 0.000 1.244 473 K HN 0.288 nan 8.250 nan 0.000 0.594 474 P HA -0.043 nan 4.420 nan 0.000 0.266 474 P C 0.072 177.551 177.300 0.298 0.000 1.195 474 P CA 0.199 63.549 63.100 0.416 0.000 0.768 474 P CB 1.095 33.056 31.700 0.434 0.000 0.838 475 G N 2.414 111.369 108.800 0.258 0.000 2.491 475 G HA2 0.477 4.437 3.960 0.000 0.000 0.327 475 G HA3 0.477 4.437 3.960 0.000 0.000 0.327 475 G C -0.991 174.014 174.900 0.174 0.000 1.189 475 G CA -0.615 44.643 45.100 0.262 0.000 0.956 475 G HN 0.477 nan 8.290 nan 0.000 0.491 476 Q N -0.980 118.886 119.800 0.110 0.000 2.274 476 Q HA 0.524 4.864 4.340 0.000 0.000 0.260 476 Q C 0.374 176.177 176.000 -0.329 0.000 0.974 476 Q CA -0.587 55.190 55.803 -0.044 0.000 0.876 476 Q CB 2.179 30.914 28.738 -0.004 0.000 1.297 476 Q HN 0.589 nan 8.270 nan 0.000 0.446 477 G N 2.141 110.744 108.800 -0.327 0.000 3.636 477 G HA2 0.003 3.963 3.960 0.000 0.000 0.260 477 G HA3 0.003 3.963 3.960 0.000 0.000 0.260 477 G C -0.297 174.504 174.900 -0.165 0.000 1.014 477 G CA -0.332 44.493 45.100 -0.458 0.000 1.797 477 G HN 0.398 nan 8.290 nan 0.000 0.637 478 N N 0.932 119.560 118.700 -0.119 0.000 2.442 478 N HA 0.018 4.758 4.740 0.000 0.000 0.265 478 N C 1.062 176.607 175.510 0.058 0.000 1.138 478 N CA -0.354 52.676 53.050 -0.034 0.000 0.956 478 N CB 0.739 39.125 38.487 -0.168 0.000 1.067 478 N HN 0.116 nan 8.380 nan 0.000 0.474 479 N N 2.774 121.571 118.700 0.162 0.000 2.334 479 N HA -0.144 4.596 4.740 0.000 0.000 0.187 479 N C 1.293 176.922 175.510 0.198 0.000 1.016 479 N CA 1.169 54.396 53.050 0.294 0.000 0.879 479 N CB -0.138 38.611 38.487 0.437 0.000 0.965 479 N HN 0.673 nan 8.380 nan 0.000 0.438 480 A N -0.734 122.085 122.820 -0.002 0.000 2.234 480 A HA -0.132 4.188 4.320 0.000 0.000 0.216 480 A C 1.408 178.678 177.584 -0.524 0.000 1.167 480 A CA 0.817 52.560 52.037 -0.489 0.000 0.698 480 A CB -0.769 18.060 19.000 -0.286 0.000 0.779 480 A HN 0.441 nan 8.150 nan 0.000 0.475 481 Y N -1.230 118.957 120.300 -0.188 0.000 2.519 481 Y HA 0.021 4.571 4.550 0.000 0.000 0.287 481 Y C 1.908 177.736 175.900 -0.121 0.000 1.128 481 Y CA 0.305 58.332 58.100 -0.121 0.000 1.282 481 Y CB 0.299 38.745 38.460 -0.024 0.000 1.027 481 Y HN 0.250 nan 8.280 nan 0.000 0.551 482 I N -1.728 118.852 120.570 0.017 0.000 3.366 482 I HA -0.104 4.066 4.170 0.000 0.000 0.267 482 I C 2.073 178.173 176.117 -0.029 0.000 1.149 482 I CA 0.567 61.892 61.300 0.041 0.000 1.436 482 I CB -1.385 36.735 38.000 0.200 0.000 1.379 482 I HN 0.158 nan 8.210 nan 0.000 0.460 483 F N 2.341 122.358 119.950 0.111 0.000 2.202 483 F HA 0.035 4.562 4.527 0.000 0.000 0.301 483 F C -0.797 174.937 175.800 -0.111 0.000 1.082 483 F CA 0.724 58.780 58.000 0.094 0.000 1.313 483 F CB -2.758 36.433 39.000 0.319 0.000 1.024 483 F HN 0.070 nan 8.300 nan 0.000 0.495 484 P HA -0.030 nan 4.420 nan 0.000 0.215 484 P C 2.086 179.255 177.300 -0.218 0.000 1.157 484 P CA 2.369 65.250 63.100 -0.366 0.000 0.863 484 P CB -0.403 31.047 31.700 -0.418 0.000 0.787 485 G N -0.486 108.209 108.800 -0.174 0.000 2.394 485 G HA2 -0.188 3.772 3.960 0.000 0.000 0.214 485 G HA3 -0.188 3.772 3.960 0.000 0.000 0.214 485 G C 1.673 176.500 174.900 -0.121 0.000 1.176 485 G CA 0.479 45.515 45.100 -0.107 0.000 0.786 485 G HN 0.116 nan 8.290 nan 0.000 0.533 486 V N 1.619 121.422 119.914 -0.184 0.000 2.392 486 V HA -0.193 3.927 4.120 0.000 0.000 0.249 486 V C 3.307 179.283 176.094 -0.197 0.000 1.059 486 V CA 2.171 64.290 62.300 -0.302 0.000 1.051 486 V CB -0.744 30.728 31.823 -0.585 0.000 0.658 486 V HN 0.483 nan 8.190 nan 0.000 0.455 487 A N -0.462 122.285 122.820 -0.121 0.000 1.873 487 A HA -0.171 4.150 4.320 0.000 0.000 0.215 487 A C 2.144 179.737 177.584 0.016 0.000 1.186 487 A CA 1.936 53.957 52.037 -0.026 0.000 0.616 487 A CB -0.605 18.209 19.000 -0.310 0.000 0.823 487 A HN 0.441 nan 8.150 nan 0.000 0.442 488 L N 0.252 121.466 121.223 -0.014 0.000 2.013 488 L HA -0.108 4.232 4.340 0.000 0.000 0.212 488 L C 2.416 179.343 176.870 0.095 0.000 1.073 488 L CA 2.533 57.407 54.840 0.057 0.000 0.753 488 L CB -1.038 41.040 42.059 0.032 0.000 0.890 488 L HN 0.320 nan 8.230 nan 0.000 0.432 489 G N -2.351 106.503 108.800 0.090 0.000 2.418 489 G HA2 -0.228 3.732 3.960 0.000 0.000 0.217 489 G HA3 -0.228 3.732 3.960 0.000 0.000 0.217 489 G C 1.443 176.462 174.900 0.199 0.000 1.158 489 G CA 1.112 46.331 45.100 0.197 0.000 0.771 489 G HN 0.441 nan 8.290 nan 0.000 0.545 490 T N 1.359 115.957 114.554 0.073 0.000 2.708 490 T HA -0.058 4.292 4.350 0.000 0.000 0.266 490 T C 2.388 177.126 174.700 0.064 0.000 1.037 490 T CA 1.108 63.243 62.100 0.058 0.000 1.146 490 T CB -0.147 68.747 68.868 0.043 0.000 0.865 490 T HN 0.250 nan 8.240 nan 0.000 0.435 491 I N 0.763 121.363 120.570 0.051 0.000 2.133 491 I HA -0.115 4.055 4.170 0.000 0.000 0.238 491 I C 2.327 178.378 176.117 -0.110 0.000 1.074 491 I CA 1.230 62.508 61.300 -0.036 0.000 1.342 491 I CB -0.468 37.522 38.000 -0.017 0.000 1.053 491 I HN 0.152 nan 8.210 nan 0.000 0.404 492 L N -0.420 120.745 121.223 -0.096 0.000 2.127 492 L HA -0.209 4.131 4.340 0.000 0.000 0.211 492 L C 1.799 178.429 176.870 -0.401 0.000 1.089 492 L CA 1.579 56.257 54.840 -0.271 0.000 0.757 492 L CB -0.430 41.400 42.059 -0.383 0.000 0.899 492 L HN 0.237 nan 8.230 nan 0.000 0.434 493 F N -1.127 118.866 119.950 0.071 0.000 2.653 493 F HA 0.152 4.679 4.527 0.000 0.000 0.304 493 F C 0.747 176.530 175.800 -0.029 0.000 1.092 493 F CA -0.426 57.602 58.000 0.046 0.000 1.279 493 F CB 0.018 39.012 39.000 -0.011 0.000 1.044 493 F HN -0.005 nan 8.300 nan 0.000 0.564 494 Q N 1.011 120.847 119.800 0.060 0.000 2.452 494 Q HA -0.221 4.119 4.340 0.000 0.000 0.318 494 Q C -0.253 175.746 176.000 -0.003 0.000 1.386 494 Q CA 0.255 56.063 55.803 0.009 0.000 0.872 494 Q CB -1.949 26.791 28.738 0.002 0.000 1.151 494 Q HN 0.481 nan 8.270 nan 0.000 0.417 495 I N 0.537 121.110 120.570 0.005 0.000 2.598 495 I HA -0.083 4.087 4.170 0.000 0.000 0.284 495 I C 1.854 177.918 176.117 -0.088 0.000 1.140 495 I CA 0.234 61.512 61.300 -0.037 0.000 1.420 495 I CB 0.468 38.458 38.000 -0.018 0.000 1.387 495 I HN 0.275 nan 8.210 nan 0.000 0.553 496 R N 4.270 124.678 120.500 -0.152 0.000 2.083 496 R HA -0.061 4.279 4.340 0.000 0.000 0.237 496 R C 0.112 175.992 176.300 -0.700 0.000 1.137 496 R CA 1.165 57.028 56.100 -0.396 0.000 0.951 496 R CB -0.122 29.952 30.300 -0.377 0.000 0.851 496 R HN 0.594 nan 8.270 nan 0.000 0.434 497 H N -1.413 117.689 119.070 0.053 0.000 2.930 497 H HA 0.289 4.845 4.556 0.000 0.000 0.371 497 H C -1.111 174.256 175.328 0.064 0.000 1.169 497 H CA -0.853 55.241 56.048 0.076 0.000 1.157 497 H CB 2.004 31.805 29.762 0.066 0.000 1.789 497 H HN -0.195 nan 8.280 nan 0.000 0.547 498 V N 3.477 123.512 119.914 0.201 0.000 2.370 498 V HA 0.182 4.302 4.120 0.000 0.000 0.279 498 V C 0.050 176.251 176.094 0.178 0.000 1.029 498 V CA -0.575 61.780 62.300 0.092 0.000 0.870 498 V CB 0.981 32.815 31.823 0.018 0.000 0.984 498 V HN 0.769 nan 8.190 nan 0.000 0.451 499 D N 2.960 123.434 120.400 0.124 0.000 2.553 499 D HA 0.308 4.948 4.640 0.000 0.000 0.249 499 D C 0.674 177.067 176.300 0.154 0.000 1.062 499 D CA -0.950 53.137 54.000 0.145 0.000 1.085 499 D CB 0.564 41.422 40.800 0.096 0.000 1.350 499 D HN 0.079 nan 8.370 nan 0.000 0.575 500 N N 0.157 118.861 118.700 0.007 0.000 2.060 500 N HA -0.177 4.563 4.740 0.000 0.000 0.195 500 N C 0.983 176.406 175.510 -0.145 0.000 1.028 500 N CA 1.415 54.366 53.050 -0.165 0.000 0.861 500 N CB -0.401 37.666 38.487 -0.700 0.000 1.029 500 N HN 0.476 nan 8.380 nan 0.000 0.428 501 D N 0.475 120.798 120.400 -0.127 0.000 2.133 501 D HA -0.142 4.498 4.640 0.000 0.000 0.195 501 D C 2.067 178.206 176.300 -0.269 0.000 0.997 501 D CA 0.773 54.706 54.000 -0.111 0.000 0.840 501 D CB -0.142 40.645 40.800 -0.022 0.000 0.947 501 D HN 0.285 nan 8.370 nan 0.000 0.452 502 L N -0.473 120.605 121.223 -0.242 0.000 2.072 502 L HA -0.117 4.223 4.340 0.000 0.000 0.205 502 L C 2.494 179.187 176.870 -0.295 0.000 1.079 502 L CA 0.662 55.300 54.840 -0.337 0.000 0.752 502 L CB -0.410 41.445 42.059 -0.340 0.000 0.906 502 L HN -0.046 nan 8.230 nan 0.000 0.436 503 F N -0.535 119.314 119.950 -0.169 0.000 2.134 503 F HA -0.245 4.282 4.527 0.000 0.000 0.299 503 F C 2.276 178.020 175.800 -0.093 0.000 1.097 503 F CA 0.978 58.902 58.000 -0.128 0.000 1.264 503 F CB -0.328 38.606 39.000 -0.109 0.000 1.001 503 F HN -0.040 nan 8.300 nan 0.000 0.479 504 L N -0.194 121.076 121.223 0.078 0.000 2.046 504 L HA -0.209 4.132 4.340 0.000 0.000 0.208 504 L C 2.327 179.190 176.870 -0.012 0.000 1.077 504 L CA 1.400 56.265 54.840 0.041 0.000 0.747 504 L CB -1.009 41.075 42.059 0.041 0.000 0.896 504 L HN 0.185 nan 8.230 nan 0.000 0.432 505 L N -1.140 120.023 121.223 -0.099 0.000 2.083 505 L HA -0.202 4.138 4.340 0.000 0.000 0.209 505 L C 2.442 179.264 176.870 -0.080 0.000 1.083 505 L CA 1.545 56.307 54.840 -0.129 0.000 0.752 505 L CB -0.316 41.586 42.059 -0.261 0.000 0.899 505 L HN 0.252 nan 8.230 nan 0.000 0.433 506 A N -0.102 122.668 122.820 -0.083 0.000 1.898 506 A HA -0.129 4.191 4.320 0.000 0.000 0.216 506 A C 2.469 180.062 177.584 0.015 0.000 1.181 506 A CA 1.555 53.562 52.037 -0.050 0.000 0.620 506 A CB -0.949 18.007 19.000 -0.074 0.000 0.819 506 A HN 0.595 nan 8.150 nan 0.000 0.442 507 A N 0.113 122.962 122.820 0.047 0.000 1.883 507 A HA -0.210 4.110 4.320 0.000 0.000 0.217 507 A C 2.095 179.704 177.584 0.042 0.000 1.186 507 A CA 1.989 54.069 52.037 0.072 0.000 0.624 507 A CB -0.485 18.568 19.000 0.088 0.000 0.822 507 A HN 0.552 nan 8.150 nan 0.000 0.444 508 K N -0.675 119.738 120.400 0.021 0.000 2.148 508 K HA -0.134 4.186 4.320 0.000 0.000 0.204 508 K C 2.105 178.709 176.600 0.006 0.000 1.050 508 K CA 1.478 57.773 56.287 0.013 0.000 0.942 508 K CB -0.054 32.451 32.500 0.007 0.000 0.724 508 K HN 0.355 nan 8.250 nan 0.000 0.446 509 K N 1.138 121.540 120.400 0.002 0.000 2.062 509 K HA -0.056 4.264 4.320 0.000 0.000 0.205 509 K C 1.771 178.374 176.600 0.006 0.000 1.051 509 K CA 1.024 57.312 56.287 0.003 0.000 0.941 509 K CB -0.275 32.223 32.500 -0.003 0.000 0.719 509 K HN -0.116 nan 8.250 nan 0.000 0.440 510 V N 1.281 121.202 119.914 0.013 0.000 2.287 510 V HA -0.279 3.842 4.120 0.000 0.000 0.248 510 V C 2.374 178.452 176.094 -0.026 0.000 1.053 510 V CA 2.107 64.407 62.300 0.001 0.000 1.027 510 V CB -1.051 30.784 31.823 0.021 0.000 0.646 510 V HN 0.492 nan 8.190 nan 0.000 0.447 511 A N 0.821 123.629 122.820 -0.020 0.000 1.908 511 A HA -0.246 4.074 4.320 0.000 0.000 0.218 511 A C 2.483 180.049 177.584 -0.029 0.000 1.181 511 A CA 2.499 54.512 52.037 -0.041 0.000 0.627 511 A CB -0.856 18.130 19.000 -0.023 0.000 0.818 511 A HN 0.733 nan 8.150 nan 0.000 0.445 512 S N -1.725 113.967 115.700 -0.012 0.000 2.507 512 S HA -0.099 4.372 4.470 0.000 0.000 0.235 512 S C 1.430 176.028 174.600 -0.003 0.000 0.988 512 S CA 1.097 59.294 58.200 -0.005 0.000 0.944 512 S CB -0.986 62.216 63.200 0.003 0.000 0.762 512 S HN 0.540 nan 8.310 nan 0.000 0.526 513 C N 1.451 120.747 119.300 -0.006 0.000 2.697 513 C HA 0.402 4.862 4.460 0.000 0.000 0.267 513 C C 0.792 175.781 174.990 -0.002 0.000 1.278 513 C CA -0.678 58.342 59.018 0.002 0.000 1.708 513 C CB -1.084 26.663 27.740 0.011 0.000 1.860 513 C HN 0.415 nan 8.230 nan 0.000 0.589 514 V N 3.452 123.355 119.914 -0.018 0.000 2.415 514 V HA 0.176 4.296 4.120 0.000 0.000 0.267 514 V C 1.136 177.227 176.094 -0.006 0.000 1.042 514 V CA 0.253 62.541 62.300 -0.019 0.000 1.000 514 V CB -0.165 31.629 31.823 -0.048 0.000 1.015 514 V HN 0.625 nan 8.190 nan 0.000 0.478 515 T N 1.509 116.066 114.554 0.005 0.000 2.734 515 T HA 0.060 4.410 4.350 0.000 0.000 0.314 515 T C 1.084 175.786 174.700 0.002 0.000 1.057 515 T CA 0.234 62.338 62.100 0.006 0.000 1.047 515 T CB 0.935 69.810 68.868 0.012 0.000 0.991 515 T HN 0.637 nan 8.240 nan 0.000 0.540 516 E N 0.248 120.448 120.200 0.001 0.000 2.107 516 E HA -0.104 4.247 4.350 0.000 0.000 0.191 516 E C 1.669 178.267 176.600 -0.005 0.000 0.982 516 E CA 1.505 57.904 56.400 -0.002 0.000 0.809 516 E CB -0.464 29.234 29.700 -0.003 0.000 0.756 516 E HN 0.702 nan 8.360 nan 0.000 0.459 517 D N -0.278 120.120 120.400 -0.002 0.000 2.144 517 D HA -0.096 4.544 4.640 0.000 0.000 0.199 517 D C 1.840 178.138 176.300 -0.003 0.000 0.984 517 D CA 1.183 55.179 54.000 -0.005 0.000 0.834 517 D CB -0.229 40.571 40.800 -0.001 0.000 0.955 517 D HN 0.117 nan 8.370 nan 0.000 0.465 518 S N 0.469 116.175 115.700 0.010 0.000 2.428 518 S HA -0.070 4.401 4.470 0.000 0.000 0.230 518 S C 1.784 176.396 174.600 0.019 0.000 1.014 518 S CA 0.083 58.297 58.200 0.024 0.000 0.957 518 S CB 0.027 63.249 63.200 0.036 0.000 0.784 518 S HN 0.110 nan 8.310 nan 0.000 0.499 519 L N 2.611 123.837 121.223 0.006 0.000 2.179 519 L HA 0.035 4.375 4.340 0.000 0.000 0.208 519 L C 2.114 178.977 176.870 -0.013 0.000 1.096 519 L CA 1.538 56.380 54.840 0.004 0.000 0.779 519 L CB -0.514 41.545 42.059 -0.001 0.000 0.922 519 L HN 0.278 nan 8.230 nan 0.000 0.443 520 K N -1.803 118.579 120.400 -0.030 0.000 2.211 520 K HA -0.036 4.285 4.320 0.000 0.000 0.203 520 K C 1.272 177.800 176.600 -0.121 0.000 1.050 520 K CA 1.490 57.740 56.287 -0.062 0.000 0.945 520 K CB -0.455 32.014 32.500 -0.050 0.000 0.732 520 K HN 0.212 nan 8.250 nan 0.000 0.451 521 V N 1.030 120.888 119.914 -0.094 0.000 3.623 521 V HA 0.139 4.259 4.120 0.000 0.000 0.271 521 V C 1.297 177.336 176.094 -0.091 0.000 1.248 521 V CA 0.723 62.941 62.300 -0.136 0.000 1.156 521 V CB -0.277 31.519 31.823 -0.044 0.000 0.870 521 V HN 0.723 nan 8.190 nan 0.000 0.453 522 G N 1.411 110.196 108.800 -0.025 0.000 2.159 522 G HA2 -0.332 3.628 3.960 0.000 0.000 0.256 522 G HA3 -0.332 3.628 3.960 0.000 0.000 0.256 522 G C 0.397 175.422 174.900 0.208 0.000 0.977 522 G CA 0.333 45.502 45.100 0.115 0.000 0.652 522 G HN 0.563 nan 8.290 nan 0.000 0.531 523 R N 0.360 120.947 120.500 0.145 0.000 2.216 523 R HA 0.496 4.836 4.340 0.000 0.000 0.332 523 R C 1.457 177.804 176.300 0.078 0.000 1.056 523 R CA 0.144 56.336 56.100 0.154 0.000 0.901 523 R CB 0.768 31.155 30.300 0.144 0.000 1.039 523 R HN 0.573 nan 8.270 nan 0.000 0.456 524 V N 1.858 121.792 119.914 0.032 0.000 3.421 524 V HA 0.336 4.456 4.120 0.000 0.000 0.316 524 V C -0.611 175.223 176.094 -0.434 0.000 1.347 524 V CA -0.284 61.925 62.300 -0.153 0.000 1.183 524 V CB -1.020 30.708 31.823 -0.158 0.000 1.092 524 V HN 0.588 nan 8.190 nan 0.000 0.433 525 Y N -0.279 120.001 120.300 -0.034 0.000 2.545 525 Y HA 0.701 5.251 4.550 0.000 0.000 0.348 525 Y C -2.460 173.349 175.900 -0.152 0.000 1.002 525 Y CA -2.599 55.388 58.100 -0.188 0.000 1.039 525 Y CB 2.332 40.655 38.460 -0.228 0.000 1.271 525 Y HN 0.019 nan 8.280 nan 0.000 0.467 526 P HA 0.076 nan 4.420 nan 0.000 0.273 526 P C -1.224 176.189 177.300 0.187 0.000 1.250 526 P CA -0.428 62.687 63.100 0.025 0.000 0.793 526 P CB 0.518 32.215 31.700 -0.006 0.000 1.011 527 Q N -0.003 119.902 119.800 0.176 0.000 2.352 527 Q HA 0.125 4.465 4.340 0.000 0.000 0.260 527 Q C 1.209 177.354 176.000 0.241 0.000 0.976 527 Q CA -0.201 55.714 55.803 0.187 0.000 0.881 527 Q CB 0.296 29.102 28.738 0.113 0.000 1.235 527 Q HN 0.370 nan 8.270 nan 0.000 0.419 528 L N 2.376 123.710 121.223 0.185 0.000 2.083 528 L HA -0.245 4.095 4.340 0.000 0.000 0.209 528 L C 2.213 179.107 176.870 0.040 0.000 1.083 528 L CA 1.566 56.447 54.840 0.069 0.000 0.752 528 L CB -0.476 41.575 42.059 -0.014 0.000 0.899 528 L HN 0.703 nan 8.230 nan 0.000 0.433 529 K N -0.625 119.803 120.400 0.047 0.000 2.442 529 K HA -0.136 4.184 4.320 0.000 0.000 0.198 529 K C 1.199 177.818 176.600 0.032 0.000 1.044 529 K CA 1.023 57.324 56.287 0.023 0.000 0.948 529 K CB -0.027 32.482 32.500 0.016 0.000 0.762 529 K HN 0.215 nan 8.250 nan 0.000 0.472 530 E N 0.894 121.133 120.200 0.066 0.000 2.479 530 E HA 0.106 4.456 4.350 0.000 0.000 0.193 530 E C 1.642 178.284 176.600 0.071 0.000 1.049 530 E CA 0.068 56.507 56.400 0.066 0.000 0.870 530 E CB 0.026 29.775 29.700 0.082 0.000 0.944 530 E HN 0.433 nan 8.360 nan 0.000 0.492 531 I N 0.670 121.280 120.570 0.066 0.000 2.208 531 I HA -0.293 3.877 4.170 0.000 0.000 0.245 531 I C 2.514 178.635 176.117 0.007 0.000 1.097 531 I CA 1.093 62.419 61.300 0.044 0.000 1.363 531 I CB -0.188 37.790 38.000 -0.038 0.000 1.051 531 I HN 0.047 nan 8.210 nan 0.000 0.413 532 R N 0.443 120.942 120.500 -0.002 0.000 2.083 532 R HA -0.246 4.094 4.340 0.000 0.000 0.237 532 R C 2.280 178.582 176.300 0.004 0.000 1.137 532 R CA 1.883 57.979 56.100 -0.007 0.000 0.951 532 R CB -0.310 29.987 30.300 -0.006 0.000 0.851 532 R HN 0.257 nan 8.270 nan 0.000 0.434 533 E N 0.961 121.169 120.200 0.014 0.000 2.106 533 E HA -0.108 4.242 4.350 0.000 0.000 0.192 533 E C 1.777 178.392 176.600 0.024 0.000 0.984 533 E CA 1.087 57.499 56.400 0.019 0.000 0.806 533 E CB -0.135 29.578 29.700 0.022 0.000 0.750 533 E HN 0.298 nan 8.360 nan 0.000 0.458 534 I N 0.007 120.596 120.570 0.032 0.000 2.226 534 I HA -0.265 3.905 4.170 0.000 0.000 0.245 534 I C 2.254 178.381 176.117 0.017 0.000 1.100 534 I CA 1.134 62.455 61.300 0.035 0.000 1.374 534 I CB -0.354 37.687 38.000 0.069 0.000 1.057 534 I HN 0.064 nan 8.210 nan 0.000 0.413 535 S N 1.079 116.779 115.700 0.001 0.000 2.359 535 S HA -0.159 4.311 4.470 0.000 0.000 0.224 535 S C 2.029 176.632 174.600 0.005 0.000 1.035 535 S CA 1.388 59.576 58.200 -0.019 0.000 1.018 535 S CB -0.367 62.808 63.200 -0.041 0.000 0.876 535 S HN 0.331 nan 8.310 nan 0.000 0.448 536 I N 1.558 122.138 120.570 0.017 0.000 2.208 536 I HA -0.224 3.946 4.170 0.000 0.000 0.245 536 I C 2.621 178.768 176.117 0.049 0.000 1.097 536 I CA 1.111 62.434 61.300 0.037 0.000 1.363 536 I CB -0.369 37.650 38.000 0.032 0.000 1.051 536 I HN 0.274 nan 8.210 nan 0.000 0.413 537 Q N 0.309 120.130 119.800 0.035 0.000 2.167 537 Q HA -0.071 4.269 4.340 0.000 0.000 0.202 537 Q C 2.283 178.296 176.000 0.022 0.000 0.970 537 Q CA 1.347 57.170 55.803 0.033 0.000 0.855 537 Q CB -0.111 28.642 28.738 0.026 0.000 0.911 537 Q HN 0.597 nan 8.270 nan 0.000 0.438 538 I N 0.316 120.892 120.570 0.009 0.000 2.252 538 I HA -0.226 3.944 4.170 0.000 0.000 0.245 538 I C 2.261 178.372 176.117 -0.010 0.000 1.102 538 I CA 0.945 62.235 61.300 -0.017 0.000 1.385 538 I CB -0.420 37.557 38.000 -0.038 0.000 1.064 538 I HN 0.052 nan 8.210 nan 0.000 0.414 539 A N 0.637 123.479 122.820 0.038 0.000 1.902 539 A HA -0.151 4.169 4.320 0.000 0.000 0.217 539 A C 2.438 180.071 177.584 0.082 0.000 1.181 539 A CA 1.665 53.771 52.037 0.114 0.000 0.623 539 A CB -0.963 18.167 19.000 0.216 0.000 0.818 539 A HN 0.227 nan 8.150 nan 0.000 0.443 540 V N 0.056 120.022 119.914 0.086 0.000 2.255 540 V HA -0.280 3.840 4.120 0.000 0.000 0.247 540 V C 2.644 178.714 176.094 -0.041 0.000 1.051 540 V CA 2.547 64.872 62.300 0.042 0.000 1.018 540 V CB -0.782 31.085 31.823 0.073 0.000 0.641 540 V HN 0.700 nan 8.190 nan 0.000 0.445 541 E N -0.138 120.052 120.200 -0.018 0.000 2.085 541 E HA -0.233 4.117 4.350 0.000 0.000 0.194 541 E C 2.122 178.697 176.600 -0.042 0.000 0.994 541 E CA 1.805 58.193 56.400 -0.020 0.000 0.801 541 E CB -0.351 29.337 29.700 -0.020 0.000 0.743 541 E HN 0.549 nan 8.360 nan 0.000 0.453 542 M N -0.562 118.987 119.600 -0.084 0.000 2.117 542 M HA -0.150 4.330 4.480 0.000 0.000 0.262 542 M C 2.278 178.471 176.300 -0.180 0.000 1.065 542 M CA 1.580 56.817 55.300 -0.105 0.000 1.114 542 M CB -0.315 32.219 32.600 -0.110 0.000 1.361 542 M HN 0.232 nan 8.290 nan 0.000 0.408 543 A N 0.797 123.372 122.820 -0.408 0.000 1.865 543 A HA -0.224 4.096 4.320 0.000 0.000 0.217 543 A C 2.086 179.551 177.584 -0.199 0.000 1.191 543 A CA 2.022 53.638 52.037 -0.702 0.000 0.623 543 A CB -0.679 17.540 19.000 -1.302 0.000 0.826 543 A HN 0.435 nan 8.150 nan 0.000 0.444 544 K N -1.869 118.488 120.400 -0.071 0.000 2.044 544 K HA -0.229 4.092 4.320 0.000 0.000 0.210 544 K C 2.033 178.670 176.600 0.061 0.000 1.049 544 K CA 2.013 58.324 56.287 0.040 0.000 0.927 544 K CB -0.457 32.066 32.500 0.038 0.000 0.713 544 K HN 0.630 nan 8.250 nan 0.000 0.443 545 Y N 0.993 121.251 120.300 -0.069 0.000 2.163 545 Y HA -0.274 4.276 4.550 0.000 0.000 0.288 545 Y C 2.288 178.144 175.900 -0.073 0.000 1.136 545 Y CA 1.288 59.355 58.100 -0.055 0.000 1.147 545 Y CB -0.278 38.146 38.460 -0.060 0.000 0.987 545 Y HN 0.068 nan 8.280 nan 0.000 0.509 546 C N -0.656 118.626 119.300 -0.031 0.000 2.446 546 C HA -0.116 4.345 4.460 0.000 0.000 0.279 546 C C 2.414 177.248 174.990 -0.260 0.000 1.366 546 C CA 0.751 59.666 59.018 -0.172 0.000 1.763 546 C CB -1.584 26.030 27.740 -0.211 0.000 1.929 546 C HN 0.632 nan 8.230 nan 0.000 0.509 547 Y N 1.086 121.334 120.300 -0.087 0.000 2.263 547 Y HA -0.155 4.395 4.550 0.000 0.000 0.292 547 Y C 2.608 178.463 175.900 -0.074 0.000 1.130 547 Y CA 1.579 59.642 58.100 -0.061 0.000 1.179 547 Y CB -0.198 38.225 38.460 -0.063 0.000 0.998 547 Y HN 0.250 nan 8.280 nan 0.000 0.532 548 K N 1.195 121.608 120.400 0.021 0.000 2.097 548 K HA -0.224 4.096 4.320 0.000 0.000 0.206 548 K C 1.116 177.654 176.600 -0.105 0.000 1.049 548 K CA 1.914 58.170 56.287 -0.051 0.000 0.933 548 K CB -0.375 32.060 32.500 -0.108 0.000 0.717 548 K HN 0.608 nan 8.250 nan 0.000 0.442 549 N N -1.391 117.195 118.700 -0.190 0.000 2.270 549 N HA 0.050 4.790 4.740 0.000 0.000 0.198 549 N C 0.277 175.737 175.510 -0.082 0.000 1.117 549 N CA 0.315 53.265 53.050 -0.166 0.000 0.845 549 N CB 0.632 38.954 38.487 -0.275 0.000 0.980 549 N HN 0.201 nan 8.380 nan 0.000 0.486 550 G N 1.045 109.817 108.800 -0.047 0.000 2.314 550 G HA2 -0.295 3.665 3.960 0.000 0.000 0.292 550 G HA3 -0.295 3.665 3.960 0.000 0.000 0.292 550 G C 0.504 175.389 174.900 -0.025 0.000 1.059 550 G CA 0.777 45.873 45.100 -0.006 0.000 0.982 550 G HN 0.597 nan 8.290 nan 0.000 0.505 551 T N -4.004 110.508 114.554 -0.071 0.000 3.040 551 T HA 0.657 5.007 4.350 0.000 0.000 0.266 551 T C 0.932 175.569 174.700 -0.104 0.000 1.005 551 T CA 1.008 63.077 62.100 -0.053 0.000 0.906 551 T CB 1.041 69.901 68.868 -0.012 0.000 1.082 551 T HN 1.614 nan 8.240 nan 0.000 0.531 552 A N 1.517 124.213 122.820 -0.207 0.000 2.260 552 A HA 0.613 4.933 4.320 0.000 0.000 0.312 552 A C 0.758 178.298 177.584 -0.072 0.000 1.321 552 A CA -0.697 51.171 52.037 -0.281 0.000 0.928 552 A CB 0.132 18.581 19.000 -0.917 0.000 1.158 552 A HN 0.189 nan 8.150 nan 0.000 0.542 553 N N 0.880 119.585 118.700 0.008 0.000 2.494 553 N HA -0.016 4.724 4.740 0.000 0.000 0.182 553 N C 0.405 176.011 175.510 0.161 0.000 1.076 553 N CA 0.228 53.323 53.050 0.074 0.000 0.908 553 N CB -0.241 38.263 38.487 0.028 0.000 0.967 553 N HN 0.664 nan 8.380 nan 0.000 0.449 554 L N 1.425 122.768 121.223 0.199 0.000 2.562 554 L HA 0.090 4.430 4.340 0.000 0.000 0.271 554 L C -0.929 176.141 176.870 0.333 0.000 1.167 554 L CA 0.114 55.092 54.840 0.231 0.000 0.917 554 L CB -0.451 41.747 42.059 0.232 0.000 1.187 554 L HN 0.093 nan 8.230 nan 0.000 0.482 555 Y N 7.539 127.902 120.300 0.105 0.000 2.364 555 Y HA 0.707 5.257 4.550 0.000 0.000 0.340 555 Y C -2.062 173.850 175.900 0.021 0.000 0.975 555 Y CA -1.920 56.225 58.100 0.075 0.000 1.089 555 Y CB 0.909 39.404 38.460 0.058 0.000 1.192 555 Y HN 0.673 nan 8.280 nan 0.000 0.454 556 P HA 0.219 nan 4.420 nan 0.000 0.284 556 P C -1.456 175.609 177.300 -0.393 0.000 1.287 556 P CA -0.859 61.739 63.100 -0.835 0.000 0.824 556 P CB 1.133 32.269 31.700 -0.940 0.000 1.180 557 Q N 1.250 120.766 119.800 -0.473 0.000 2.263 557 Q HA 0.089 4.429 4.340 0.000 0.000 0.289 557 Q C -1.766 173.998 176.000 -0.395 0.000 1.061 557 Q CA -1.202 54.168 55.803 -0.721 0.000 0.927 557 Q CB 0.024 28.133 28.738 -1.048 0.000 1.154 557 Q HN 0.226 nan 8.270 nan 0.000 0.378 558 P HA -0.056 nan 4.420 nan 0.000 0.269 558 P C -0.141 177.128 177.300 -0.051 0.000 1.209 558 P CA 0.228 63.209 63.100 -0.198 0.000 0.776 558 P CB 0.754 32.176 31.700 -0.462 0.000 0.876 559 E N 0.551 120.788 120.200 0.063 0.000 2.049 559 E HA -0.193 4.157 4.350 0.000 0.000 0.198 559 E C 0.377 177.041 176.600 0.107 0.000 1.007 559 E CA 1.285 57.720 56.400 0.058 0.000 0.809 559 E CB 0.090 29.822 29.700 0.053 0.000 0.749 559 E HN 0.500 nan 8.360 nan 0.000 0.450 560 D N -0.433 120.114 120.400 0.244 0.000 2.462 560 D HA 0.100 4.740 4.640 0.000 0.000 0.249 560 D C 1.038 177.500 176.300 0.269 0.000 1.117 560 D CA -0.125 54.018 54.000 0.239 0.000 0.900 560 D CB 0.746 41.716 40.800 0.284 0.000 1.039 560 D HN 0.025 nan 8.370 nan 0.000 0.516 561 L N 2.104 123.450 121.223 0.204 0.000 1.997 561 L HA -0.199 4.141 4.340 0.000 0.000 0.216 561 L C 2.343 179.398 176.870 0.308 0.000 1.074 561 L CA 1.393 56.404 54.840 0.286 0.000 0.763 561 L CB -0.196 41.981 42.059 0.197 0.000 0.890 561 L HN 0.477 nan 8.230 nan 0.000 0.434 562 E N 0.294 120.620 120.200 0.211 0.000 2.077 562 E HA -0.229 4.121 4.350 0.000 0.000 0.193 562 E C 2.200 178.899 176.600 0.166 0.000 0.989 562 E CA 1.159 57.660 56.400 0.169 0.000 0.800 562 E CB 0.137 29.911 29.700 0.123 0.000 0.746 562 E HN 0.405 nan 8.360 nan 0.000 0.452 563 K N -0.325 120.205 120.400 0.216 0.000 2.097 563 K HA -0.190 4.130 4.320 0.000 0.000 0.206 563 K C 2.167 178.887 176.600 0.200 0.000 1.049 563 K CA 1.333 57.775 56.287 0.258 0.000 0.933 563 K CB -0.344 32.386 32.500 0.384 0.000 0.717 563 K HN 0.220 nan 8.250 nan 0.000 0.442 564 Y N 1.933 122.177 120.300 -0.095 0.000 2.114 564 Y HA -0.265 4.285 4.550 0.000 0.000 0.284 564 Y C 1.992 177.776 175.900 -0.194 0.000 1.143 564 Y CA 1.194 58.990 58.100 -0.508 0.000 1.135 564 Y CB -0.583 37.539 38.460 -0.562 0.000 0.980 564 Y HN -0.260 nan 8.280 nan 0.000 0.499 565 V N 1.338 121.160 119.914 -0.153 0.000 2.252 565 V HA -0.366 3.754 4.120 0.000 0.000 0.249 565 V C 2.472 178.476 176.094 -0.151 0.000 1.056 565 V CA 2.517 64.702 62.300 -0.193 0.000 1.022 565 V CB -0.760 31.109 31.823 0.077 0.000 0.641 565 V HN 0.365 nan 8.190 nan 0.000 0.445 566 R N 0.039 120.514 120.500 -0.041 0.000 2.159 566 R HA -0.102 4.238 4.340 0.000 0.000 0.237 566 R C 2.242 178.521 176.300 -0.036 0.000 1.131 566 R CA 1.320 57.410 56.100 -0.017 0.000 0.982 566 R CB -0.473 29.849 30.300 0.036 0.000 0.868 566 R HN 0.570 nan 8.270 nan 0.000 0.453 567 A N 0.369 123.152 122.820 -0.063 0.000 2.067 567 A HA -0.063 4.257 4.320 0.000 0.000 0.217 567 A C 1.781 179.297 177.584 -0.113 0.000 1.156 567 A CA 0.696 52.707 52.037 -0.042 0.000 0.683 567 A CB 0.136 19.148 19.000 0.020 0.000 0.808 567 A HN 0.136 nan 8.150 nan 0.000 0.455 568 Q N -0.157 119.513 119.800 -0.217 0.000 2.339 568 Q HA 0.085 4.425 4.340 0.000 0.000 0.205 568 Q C 1.074 177.005 176.000 -0.115 0.000 0.925 568 Q CA 0.792 56.483 55.803 -0.187 0.000 0.898 568 Q CB -0.657 27.884 28.738 -0.329 0.000 1.013 568 Q HN 0.602 nan 8.270 nan 0.000 0.504 569 V N -0.690 119.166 119.914 -0.098 0.000 2.963 569 V HA 0.045 4.165 4.120 0.000 0.000 0.306 569 V C 0.369 176.435 176.094 -0.048 0.000 1.077 569 V CA -0.951 61.312 62.300 -0.062 0.000 1.124 569 V CB -0.162 31.639 31.823 -0.037 0.000 0.987 569 V HN 0.133 nan 8.190 nan 0.000 0.487 570 Y N 3.644 123.822 120.300 -0.202 0.000 2.702 570 Y HA 0.223 4.773 4.550 0.000 0.000 0.336 570 Y C 0.429 176.244 175.900 -0.143 0.000 1.235 570 Y CA 0.439 58.412 58.100 -0.213 0.000 1.492 570 Y CB 0.317 38.612 38.460 -0.275 0.000 1.308 570 Y HN 1.034 nan 8.280 nan 0.000 0.589 571 N N 2.778 121.050 118.700 -0.713 0.000 2.479 571 N HA 0.137 4.877 4.740 0.000 0.000 0.261 571 N C 0.246 175.255 175.510 -0.836 0.000 0.979 571 N CA 0.031 52.744 53.050 -0.562 0.000 0.930 571 N CB 1.086 39.382 38.487 -0.318 0.000 1.172 571 N HN 0.666 nan 8.380 nan 0.000 0.499 572 T N -0.562 113.654 114.554 -0.563 0.000 3.051 572 T HA 0.008 4.359 4.350 0.000 0.000 0.269 572 T C 0.378 174.904 174.700 -0.289 0.000 1.127 572 T CA 0.667 62.542 62.100 -0.375 0.000 1.107 572 T CB -0.214 68.574 68.868 -0.134 0.000 0.898 572 T HN 0.413 nan 8.240 nan 0.000 0.517 573 E N 1.289 121.329 120.200 -0.267 0.000 2.373 573 E HA 0.145 4.495 4.350 0.000 0.000 0.267 573 E C -0.454 176.076 176.600 -0.117 0.000 1.032 573 E CA -0.310 55.958 56.400 -0.220 0.000 0.889 573 E CB 0.523 30.139 29.700 -0.141 0.000 0.984 573 E HN 0.584 nan 8.360 nan 0.000 0.425 574 Y N 1.087 121.339 120.300 -0.080 0.000 2.683 574 Y HA -0.054 4.496 4.550 0.000 0.000 0.340 574 Y C 1.124 176.986 175.900 -0.065 0.000 1.245 574 Y CA 0.265 58.320 58.100 -0.075 0.000 1.485 574 Y CB 0.604 39.016 38.460 -0.080 0.000 1.328 574 Y HN 0.351 nan 8.280 nan 0.000 0.603 575 E N 1.278 121.553 120.200 0.125 0.000 2.277 575 E HA 0.171 4.521 4.350 0.000 0.000 0.266 575 E C -1.057 175.566 176.600 0.039 0.000 0.901 575 E CA -1.109 55.314 56.400 0.039 0.000 0.782 575 E CB 1.429 31.125 29.700 -0.006 0.000 1.228 575 E HN 0.460 nan 8.360 nan 0.000 0.424 576 E N 1.782 121.992 120.200 0.016 0.000 2.414 576 E HA 0.008 4.358 4.350 0.000 0.000 0.263 576 E C 0.428 177.047 176.600 0.031 0.000 1.000 576 E CA 0.390 56.810 56.400 0.034 0.000 0.914 576 E CB 0.792 30.503 29.700 0.019 0.000 0.948 576 E HN 0.494 nan 8.360 nan 0.000 0.444 577 L N 2.718 123.981 121.223 0.065 0.000 2.556 577 L HA 0.248 4.588 4.340 0.000 0.000 0.226 577 L C 0.825 177.710 176.870 0.025 0.000 1.089 577 L CA 0.094 54.970 54.840 0.060 0.000 0.864 577 L CB 0.250 42.377 42.059 0.113 0.000 1.067 577 L HN 0.361 nan 8.230 nan 0.000 0.477 578 I N 0.404 120.977 120.570 0.006 0.000 2.428 578 I HA 0.056 4.226 4.170 0.000 0.000 0.289 578 I C 0.106 176.205 176.117 -0.030 0.000 1.019 578 I CA -0.487 60.780 61.300 -0.055 0.000 1.351 578 I CB 0.877 38.792 38.000 -0.143 0.000 1.412 578 I HN 0.056 nan 8.210 nan 0.000 0.513 579 N N 3.565 122.243 118.700 -0.037 0.000 2.356 579 N HA 0.162 4.902 4.740 0.000 0.000 0.252 579 N C -0.218 175.314 175.510 0.037 0.000 1.241 579 N CA 0.108 53.167 53.050 0.016 0.000 0.861 579 N CB 0.535 39.018 38.487 -0.007 0.000 1.075 579 N HN 0.731 nan 8.380 nan 0.000 0.461 580 A N 1.624 124.525 122.820 0.136 0.000 2.366 580 A HA 0.416 4.736 4.320 0.000 0.000 0.272 580 A C 0.363 178.032 177.584 0.141 0.000 1.135 580 A CA -0.495 51.643 52.037 0.167 0.000 0.804 580 A CB 0.065 19.241 19.000 0.294 0.000 1.064 580 A HN 0.653 nan 8.150 nan 0.000 0.499 581 T N -0.034 114.572 114.554 0.087 0.000 2.918 581 T HA 0.749 5.099 4.350 0.000 0.000 0.286 581 T C -0.627 174.143 174.700 0.117 0.000 1.026 581 T CA -0.466 61.645 62.100 0.018 0.000 1.031 581 T CB 1.064 69.887 68.868 -0.075 0.000 1.046 581 T HN 1.148 nan 8.240 nan 0.000 0.479 582 Y N -1.261 119.012 120.300 -0.045 0.000 2.581 582 Y HA 0.664 5.214 4.550 0.000 0.000 0.337 582 Y C -1.064 174.838 175.900 0.003 0.000 1.108 582 Y CA -1.457 56.632 58.100 -0.018 0.000 1.033 582 Y CB 0.791 39.254 38.460 0.004 0.000 1.318 582 Y HN 0.477 nan 8.280 nan 0.000 0.459 583 D N 1.053 121.549 120.400 0.160 0.000 2.358 583 D HA 0.130 4.770 4.640 0.000 0.000 0.244 583 D C -0.932 175.616 176.300 0.415 0.000 1.163 583 D CA 0.403 54.498 54.000 0.159 0.000 0.945 583 D CB 0.907 41.808 40.800 0.169 0.000 1.152 583 D HN 0.536 nan 8.370 nan 0.000 0.451 584 W N -0.221 121.119 121.300 0.067 0.000 2.762 584 W HA 0.348 5.009 4.660 0.000 0.000 0.355 584 W C -2.024 174.498 176.519 0.005 0.000 1.124 584 W CA -2.258 55.121 57.345 0.057 0.000 1.141 584 W CB -0.398 29.060 29.460 -0.002 0.000 1.432 584 W HN 0.085 nan 8.180 nan 0.000 0.586 585 P HA -0.083 nan 4.420 nan 0.000 0.264 585 P C 0.922 178.239 177.300 0.028 0.000 1.183 585 P CA 0.668 63.699 63.100 -0.115 0.000 0.763 585 P CB 0.538 32.139 31.700 -0.165 0.000 0.807 586 E N 2.753 122.966 120.200 0.021 0.000 2.136 586 E HA -0.378 3.972 4.350 0.000 0.000 0.202 586 E C 1.428 178.060 176.600 0.054 0.000 1.019 586 E CA 1.592 58.028 56.400 0.060 0.000 0.819 586 E CB -0.024 29.709 29.700 0.056 0.000 0.739 586 E HN 0.306 nan 8.360 nan 0.000 0.458 587 Q N 0.343 120.161 119.800 0.029 0.000 2.230 587 Q HA -0.085 4.255 4.340 0.000 0.000 0.202 587 Q C 0.832 176.860 176.000 0.047 0.000 0.963 587 Q CA 1.414 57.235 55.803 0.030 0.000 0.866 587 Q CB 0.257 29.000 28.738 0.009 0.000 0.931 587 Q HN 0.353 nan 8.270 nan 0.000 0.452 588 D N -1.242 119.202 120.400 0.073 0.000 2.340 588 D HA 0.043 4.683 4.640 0.000 0.000 0.220 588 D C 0.881 177.310 176.300 0.216 0.000 1.039 588 D CA 0.389 54.470 54.000 0.134 0.000 0.866 588 D CB 0.257 41.128 40.800 0.118 0.000 0.913 588 D HN 0.405 nan 8.370 nan 0.000 0.523 589 M N 0.228 119.914 119.600 0.144 0.000 2.367 589 M HA 0.100 4.580 4.480 0.000 0.000 0.256 589 M C 0.561 176.881 176.300 0.033 0.000 1.091 589 M CA -0.169 55.174 55.300 0.072 0.000 1.049 589 M CB 0.552 33.197 32.600 0.074 0.000 1.406 589 M HN -0.147 nan 8.290 nan 0.000 0.498 590 R N 1.450 121.980 120.500 0.050 0.000 2.538 590 R HA 0.074 4.414 4.340 0.000 0.000 0.282 590 R C -0.846 175.458 176.300 0.008 0.000 1.009 590 R CA 0.428 56.569 56.100 0.068 0.000 1.063 590 R CB 0.091 30.422 30.300 0.052 0.000 0.945 590 R HN 0.271 nan 8.270 nan 0.000 0.414 591 H N 1.347 120.400 119.070 -0.029 0.000 2.473 591 H HA 0.449 5.005 4.556 0.000 0.000 0.327 591 H C 0.635 175.924 175.328 -0.065 0.000 1.105 591 H CA 0.393 56.407 56.048 -0.057 0.000 1.280 591 H CB 1.777 31.500 29.762 -0.065 0.000 1.450 591 H HN 0.977 nan 8.280 nan 0.000 0.492 592 G N 2.049 110.821 108.800 -0.046 0.000 2.406 592 G HA2 -0.126 3.834 3.960 0.000 0.000 0.680 592 G HA3 -0.126 3.834 3.960 0.000 0.000 0.680 592 G C -0.796 174.040 174.900 -0.107 0.000 1.338 592 G CA -1.056 43.981 45.100 -0.106 0.000 0.941 592 G HN 0.416 nan 8.290 nan 0.000 0.633 593 F N 0.000 119.961 119.950 0.019 0.000 2.286 593 F HA 0.000 4.527 4.527 0.000 0.000 0.279 593 F CA 0.000 58.007 58.000 0.012 0.000 1.383 593 F CB 0.000 39.007 39.000 0.011 0.000 1.145 593 F HN 0.000 nan 8.300 nan 0.000 0.574