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 1o0s_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 0.000 174.617 174.600 0.028 0.000 1.055 2 S CA 0.000 58.207 58.200 0.012 0.000 1.107 2 S CB 0.000 63.182 63.200 -0.030 0.000 0.593 3 V N 1.312 121.250 119.914 0.041 0.000 3.096 3 V HA 0.892 5.012 4.120 -0.000 0.000 0.319 3 V C 1.062 177.128 176.094 -0.046 0.000 1.103 3 V CA -0.359 61.953 62.300 0.020 0.000 1.016 3 V CB 1.395 33.217 31.823 -0.003 0.000 1.090 3 V HN 1.359 nan 8.190 nan 0.000 0.449 4 A N -0.087 122.618 122.820 -0.193 0.000 2.386 4 A HA 0.293 4.613 4.320 -0.000 0.000 0.248 4 A C 1.060 178.427 177.584 -0.360 0.000 1.082 4 A CA 0.521 52.324 52.037 -0.389 0.000 0.789 4 A CB -0.250 18.263 19.000 -0.813 0.000 1.025 4 A HN 1.288 nan 8.150 nan 0.000 0.490 5 H N 0.563 119.534 119.070 -0.166 0.000 2.489 5 H HA -0.184 4.372 4.556 -0.000 0.000 0.295 5 H C 1.068 176.377 175.328 -0.033 0.000 1.082 5 H CA 2.377 58.419 56.048 -0.010 0.000 1.295 5 H CB -0.685 29.114 29.762 0.062 0.000 1.380 5 H HN 0.920 nan 8.280 nan 0.000 0.548 6 H N -1.392 117.553 119.070 -0.209 0.000 2.539 6 H HA 0.371 4.927 4.556 -0.000 0.000 0.269 6 H C -0.112 175.183 175.328 -0.055 0.000 0.980 6 H CA -0.382 55.633 56.048 -0.055 0.000 1.152 6 H CB 0.008 29.678 29.762 -0.153 0.000 1.407 6 H HN 0.488 nan 8.280 nan 0.000 0.564 7 E N 0.415 120.519 120.200 -0.160 0.000 2.232 7 E HA 0.209 4.559 4.350 -0.000 0.000 0.265 7 E C -0.823 175.720 176.600 -0.096 0.000 1.001 7 E CA -1.020 55.337 56.400 -0.073 0.000 0.870 7 E CB 1.384 30.997 29.700 -0.144 0.000 1.175 7 E HN 0.208 nan 8.360 nan 0.000 0.407 8 D N 0.781 121.123 120.400 -0.096 0.000 2.217 8 D HA 0.218 4.858 4.640 -0.000 0.000 0.248 8 D C -0.484 175.689 176.300 -0.213 0.000 1.008 8 D CA -0.689 53.205 54.000 -0.178 0.000 0.914 8 D CB 1.530 42.254 40.800 -0.127 0.000 1.182 8 D HN 0.210 nan 8.370 nan 0.000 0.451 9 V N 1.545 121.234 119.914 -0.375 0.000 3.237 9 V HA 0.114 4.234 4.120 -0.000 0.000 0.305 9 V C 0.129 175.949 176.094 -0.457 0.000 1.096 9 V CA -0.475 61.573 62.300 -0.421 0.000 1.130 9 V CB -0.571 30.879 31.823 -0.621 0.000 1.048 9 V HN 0.711 nan 8.190 nan 0.000 0.484 10 Y N 0.591 120.925 120.300 0.057 0.000 2.952 10 Y HA -0.164 4.386 4.550 -0.000 0.000 0.219 10 Y C 0.551 176.518 175.900 0.113 0.000 1.085 10 Y CA 0.790 58.941 58.100 0.084 0.000 0.872 10 Y CB -2.794 35.711 38.460 0.075 0.000 1.114 10 Y HN 0.609 nan 8.280 nan 0.000 0.482 11 S N -0.996 114.828 115.700 0.208 0.000 2.941 11 S HA 0.128 4.598 4.470 -0.000 0.000 0.251 11 S C -0.075 174.652 174.600 0.212 0.000 1.029 11 S CA -0.513 57.814 58.200 0.211 0.000 1.062 11 S CB -0.086 63.194 63.200 0.133 0.000 0.977 11 S HN 0.839 nan 8.310 nan 0.000 0.552 12 H N 1.549 120.679 119.070 0.099 0.000 2.482 12 H HA 0.311 4.867 4.556 -0.000 0.000 0.344 12 H C 0.291 175.649 175.328 0.051 0.000 1.151 12 H CA -0.266 55.822 56.048 0.065 0.000 1.300 12 H CB 0.343 30.142 29.762 0.062 0.000 1.494 12 H HN 0.152 nan 8.280 nan 0.000 0.542 13 N N 1.613 120.372 118.700 0.098 0.000 2.727 13 N HA -0.190 4.550 4.740 -0.000 0.000 0.249 13 N C -1.467 174.036 175.510 -0.011 0.000 1.048 13 N CA 0.429 53.439 53.050 -0.066 0.000 0.714 13 N CB -0.934 37.438 38.487 -0.193 0.000 0.959 13 N HN 0.416 nan 8.380 nan 0.000 0.544 14 L N 0.327 121.561 121.223 0.019 0.000 2.292 14 L HA 0.470 4.810 4.340 -0.000 0.000 0.284 14 L C -1.234 175.589 176.870 -0.079 0.000 1.065 14 L CA -1.681 53.124 54.840 -0.058 0.000 0.806 14 L CB 0.521 42.533 42.059 -0.079 0.000 1.175 14 L HN 0.045 nan 8.230 nan 0.000 0.431 15 P HA 0.045 nan 4.420 nan 0.000 0.269 15 P C -2.397 174.854 177.300 -0.082 0.000 1.211 15 P CA -0.702 62.346 63.100 -0.087 0.000 0.781 15 P CB -0.292 31.350 31.700 -0.097 0.000 0.877 16 P HA 0.063 nan 4.420 nan 0.000 0.263 16 P C -0.817 176.455 177.300 -0.047 0.000 1.195 16 P CA 0.818 63.895 63.100 -0.039 0.000 0.762 16 P CB 0.429 32.114 31.700 -0.025 0.000 0.799 17 M N 1.727 121.302 119.600 -0.042 0.000 2.484 17 M HA 0.225 4.705 4.480 -0.000 0.000 0.289 17 M C -0.277 176.013 176.300 -0.017 0.000 1.206 17 M CA -0.825 54.453 55.300 -0.036 0.000 0.892 17 M CB 2.661 35.227 32.600 -0.057 0.000 1.712 17 M HN 0.287 nan 8.290 nan 0.000 0.462 18 D N 1.012 121.406 120.400 -0.010 0.000 2.339 18 D HA 0.051 4.691 4.640 -0.000 0.000 0.245 18 D C 0.967 177.267 176.300 -0.000 0.000 1.115 18 D CA 0.095 54.092 54.000 -0.005 0.000 0.917 18 D CB 1.052 41.849 40.800 -0.005 0.000 1.192 18 D HN 0.755 nan 8.370 nan 0.000 0.428 19 E N 1.428 121.628 120.200 -0.000 0.000 2.136 19 E HA -0.371 3.979 4.350 -0.000 0.000 0.208 19 E C 1.341 177.942 176.600 0.002 0.000 1.035 19 E CA 1.752 58.153 56.400 0.002 0.000 0.838 19 E CB 0.133 29.831 29.700 -0.002 0.000 0.748 19 E HN 0.511 nan 8.360 nan 0.000 0.459 20 K N -0.127 120.271 120.400 -0.004 0.000 2.062 20 K HA -0.118 4.202 4.320 -0.000 0.000 0.205 20 K C 2.177 178.771 176.600 -0.010 0.000 1.051 20 K CA 1.485 57.765 56.287 -0.011 0.000 0.941 20 K CB -0.061 32.431 32.500 -0.014 0.000 0.719 20 K HN 0.228 nan 8.250 nan 0.000 0.440 21 E N 0.638 120.838 120.200 0.000 0.000 2.110 21 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 21 E C 1.960 178.588 176.600 0.048 0.000 0.988 21 E CA 1.137 57.544 56.400 0.011 0.000 0.804 21 E CB -0.127 29.576 29.700 0.005 0.000 0.745 21 E HN 0.161 nan 8.360 nan 0.000 0.458 22 M N 1.390 121.020 119.600 0.049 0.000 2.086 22 M HA -0.085 4.395 4.480 -0.000 0.000 0.261 22 M C 2.148 178.520 176.300 0.120 0.000 1.067 22 M CA 1.779 57.145 55.300 0.110 0.000 1.116 22 M CB -0.384 32.258 32.600 0.069 0.000 1.348 22 M HN 0.062 nan 8.290 nan 0.000 0.407 23 A N -0.190 122.652 122.820 0.037 0.000 1.877 23 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 23 A C 2.155 179.701 177.584 -0.063 0.000 1.186 23 A CA 1.866 53.898 52.037 -0.008 0.000 0.620 23 A CB -1.232 17.752 19.000 -0.026 0.000 0.822 23 A HN 0.548 nan 8.150 nan 0.000 0.443 24 L N -1.550 119.613 121.223 -0.100 0.000 2.141 24 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 24 L C 2.314 179.020 176.870 -0.273 0.000 1.094 24 L CA 2.084 56.753 54.840 -0.285 0.000 0.763 24 L CB -0.775 41.112 42.059 -0.286 0.000 0.908 24 L HN 0.594 nan 8.230 nan 0.000 0.437 25 Y N -0.084 120.130 120.300 -0.143 0.000 2.200 25 Y HA -0.196 4.354 4.550 -0.000 0.000 0.290 25 Y C 2.231 178.137 175.900 0.012 0.000 1.137 25 Y CA 1.614 59.692 58.100 -0.037 0.000 1.163 25 Y CB -0.168 38.293 38.460 0.002 0.000 0.988 25 Y HN 0.015 nan 8.280 nan 0.000 0.518 26 K N 0.220 120.446 120.400 -0.290 0.000 2.148 26 K HA -0.115 4.205 4.320 -0.000 0.000 0.204 26 K C 2.086 178.585 176.600 -0.169 0.000 1.050 26 K CA 1.129 57.229 56.287 -0.311 0.000 0.942 26 K CB -0.821 31.617 32.500 -0.103 0.000 0.724 26 K HN 0.400 nan 8.250 nan 0.000 0.446 27 L N 0.049 121.200 121.223 -0.120 0.000 2.056 27 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 27 L C 2.016 178.982 176.870 0.160 0.000 1.078 27 L CA 1.632 56.460 54.840 -0.020 0.000 0.749 27 L CB -0.395 41.612 42.059 -0.086 0.000 0.901 27 L HN 0.193 nan 8.230 nan 0.000 0.433 28 Y N -0.160 120.141 120.300 0.002 0.000 2.448 28 Y HA 0.035 4.585 4.550 -0.000 0.000 0.289 28 Y C 1.165 177.054 175.900 -0.018 0.000 1.114 28 Y CA -0.525 57.608 58.100 0.054 0.000 1.235 28 Y CB -0.102 38.429 38.460 0.117 0.000 1.045 28 Y HN 0.192 nan 8.280 nan 0.000 0.554 29 R N 3.139 123.648 120.500 0.014 0.000 2.640 29 R HA 0.087 4.427 4.340 -0.000 0.000 0.270 29 R C -2.746 173.546 176.300 -0.014 0.000 1.024 29 R CA -1.380 54.677 56.100 -0.071 0.000 1.085 29 R CB -0.567 29.518 30.300 -0.358 0.000 0.963 29 R HN -0.086 nan 8.270 nan 0.000 0.426 30 P HA 0.043 nan 4.420 nan 0.000 0.271 30 P C -0.910 176.370 177.300 -0.033 0.000 1.218 30 P CA 0.159 63.249 63.100 -0.015 0.000 0.780 30 P CB 0.806 32.483 31.700 -0.040 0.000 0.901 31 E N 1.599 121.798 120.200 -0.002 0.000 2.222 31 E HA 0.309 4.659 4.350 -0.000 0.000 0.267 31 E C 0.169 176.725 176.600 -0.073 0.000 0.963 31 E CA -1.016 55.398 56.400 0.024 0.000 0.837 31 E CB 1.751 31.528 29.700 0.127 0.000 1.183 31 E HN 0.401 nan 8.360 nan 0.000 0.403 32 R N 0.570 120.985 120.500 -0.142 0.000 2.594 32 R HA 0.274 4.614 4.340 -0.000 0.000 0.272 32 R C -0.867 175.444 176.300 0.018 0.000 1.074 32 R CA -0.165 55.863 56.100 -0.120 0.000 1.105 32 R CB 0.505 30.725 30.300 -0.132 0.000 1.008 32 R HN 0.186 nan 8.270 nan 0.000 0.472 33 V N 3.694 123.616 119.914 0.013 0.000 2.409 33 V HA 0.208 4.328 4.120 -0.000 0.000 0.290 33 V C -0.374 175.743 176.094 0.039 0.000 1.017 33 V CA -0.762 61.562 62.300 0.039 0.000 0.841 33 V CB 1.801 33.648 31.823 0.039 0.000 1.003 33 V HN 0.849 nan 8.190 nan 0.000 0.426 34 T N 7.721 122.301 114.554 0.044 0.000 2.856 34 T HA 0.438 4.788 4.350 -0.000 0.000 0.292 34 T C -1.846 172.873 174.700 0.032 0.000 0.980 34 T CA -0.534 61.587 62.100 0.035 0.000 1.091 34 T CB 1.431 70.316 68.868 0.028 0.000 0.936 34 T HN 0.600 nan 8.240 nan 0.000 0.503 35 P HA 0.420 nan 4.420 nan 0.000 0.278 35 P C 0.091 177.399 177.300 0.015 0.000 1.266 35 P CA -0.657 62.458 63.100 0.026 0.000 0.807 35 P CB 1.623 33.342 31.700 0.032 0.000 1.094 36 K N -0.570 119.837 120.400 0.011 0.000 2.335 36 K HA 0.116 4.436 4.320 -0.000 0.000 0.195 36 K C 0.764 177.362 176.600 -0.003 0.000 1.058 36 K CA 0.274 56.563 56.287 0.004 0.000 0.988 36 K CB 0.210 32.713 32.500 0.006 0.000 0.880 36 K HN 0.356 nan 8.250 nan 0.000 0.513 37 K N 1.369 121.766 120.400 -0.004 0.000 2.219 37 K HA 0.184 4.504 4.320 -0.000 0.000 0.258 37 K C -0.006 176.582 176.600 -0.019 0.000 1.008 37 K CA 0.312 56.592 56.287 -0.012 0.000 0.928 37 K CB 0.768 33.260 32.500 -0.013 0.000 0.983 37 K HN -0.021 nan 8.250 nan 0.000 0.484 38 R N 0.285 120.770 120.500 -0.026 0.000 2.817 38 R HA 0.320 4.660 4.340 -0.000 0.000 0.268 38 R C -0.270 176.003 176.300 -0.044 0.000 1.027 38 R CA -0.696 55.380 56.100 -0.040 0.000 0.928 38 R CB 1.877 32.160 30.300 -0.028 0.000 1.228 38 R HN 0.843 nan 8.270 nan 0.000 0.469 39 S N 0.283 115.948 115.700 -0.059 0.000 3.416 39 S HA -0.358 4.112 4.470 -0.000 0.000 0.627 39 S C 1.384 175.958 174.600 -0.045 0.000 2.746 39 S CA 0.918 59.087 58.200 -0.053 0.000 3.896 39 S CB -1.364 61.815 63.200 -0.035 0.000 0.264 39 S HN 0.903 nan 8.310 nan 0.000 1.229 40 A N 0.736 123.536 122.820 -0.034 0.000 1.948 40 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 40 A C 1.995 179.564 177.584 -0.024 0.000 1.177 40 A CA 2.494 54.516 52.037 -0.026 0.000 0.636 40 A CB -0.886 18.098 19.000 -0.027 0.000 0.815 40 A HN 0.725 nan 8.150 nan 0.000 0.449 41 E N -0.783 119.400 120.200 -0.027 0.000 2.058 41 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 41 E C 2.029 178.616 176.600 -0.022 0.000 0.997 41 E CA 1.320 57.704 56.400 -0.028 0.000 0.801 41 E CB -0.260 29.423 29.700 -0.028 0.000 0.746 41 E HN 0.689 nan 8.360 nan 0.000 0.450 42 L N 0.834 122.046 121.223 -0.019 0.000 2.056 42 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 42 L C 2.216 179.108 176.870 0.037 0.000 1.078 42 L CA 0.976 55.817 54.840 0.001 0.000 0.749 42 L CB -0.060 41.984 42.059 -0.026 0.000 0.901 42 L HN 0.147 nan 8.230 nan 0.000 0.433 43 L N -0.293 120.947 121.223 0.028 0.000 2.191 43 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 43 L C 2.245 179.137 176.870 0.036 0.000 1.103 43 L CA 1.214 56.094 54.840 0.067 0.000 0.769 43 L CB -0.476 41.608 42.059 0.042 0.000 0.908 43 L HN 0.242 nan 8.230 nan 0.000 0.438 44 K N -0.388 120.013 120.400 0.002 0.000 2.487 44 K HA 0.024 4.344 4.320 -0.000 0.000 0.192 44 K C 0.082 176.659 176.600 -0.039 0.000 1.027 44 K CA 0.186 56.459 56.287 -0.023 0.000 1.054 44 K CB 0.295 32.772 32.500 -0.039 0.000 0.824 44 K HN 0.110 nan 8.250 nan 0.000 0.510 45 E N 0.855 121.043 120.200 -0.020 0.000 2.055 45 E HA 0.095 4.445 4.350 -0.000 0.000 0.274 45 E C -2.139 174.459 176.600 -0.003 0.000 0.949 45 E CA -2.313 54.066 56.400 -0.034 0.000 0.775 45 E CB 1.467 31.154 29.700 -0.022 0.000 1.097 45 E HN -0.073 nan 8.360 nan 0.000 0.404 46 P HA -0.109 nan 4.420 nan 0.000 0.218 46 P C 1.223 178.550 177.300 0.045 0.000 1.148 46 P CA 0.956 64.056 63.100 0.000 0.000 0.822 46 P CB 0.320 31.997 31.700 -0.039 0.000 0.784 47 R N -0.815 119.710 120.500 0.041 0.000 2.276 47 R HA 0.068 4.408 4.340 -0.000 0.000 0.203 47 R C 1.566 177.922 176.300 0.093 0.000 1.017 47 R CA 0.722 56.870 56.100 0.080 0.000 1.010 47 R CB -0.274 30.058 30.300 0.054 0.000 0.900 47 R HN 0.251 nan 8.270 nan 0.000 0.469 48 L N -1.405 119.867 121.223 0.082 0.000 2.547 48 L HA 0.161 4.501 4.340 -0.000 0.000 0.218 48 L C 0.551 177.499 176.870 0.130 0.000 1.048 48 L CA -0.339 54.569 54.840 0.114 0.000 0.859 48 L CB -0.147 41.983 42.059 0.119 0.000 1.128 48 L HN -0.001 nan 8.230 nan 0.000 0.483 49 N N 1.606 120.375 118.700 0.114 0.000 2.440 49 N HA -0.051 4.689 4.740 -0.000 0.000 0.265 49 N C 0.408 175.798 175.510 -0.201 0.000 1.239 49 N CA 0.661 53.766 53.050 0.091 0.000 0.909 49 N CB 0.567 39.114 38.487 0.101 0.000 1.066 49 N HN 0.089 nan 8.380 nan 0.000 0.474 50 K N 2.380 122.326 120.400 -0.757 0.000 2.358 50 K HA 0.216 4.536 4.320 -0.000 0.000 0.200 50 K C 1.133 177.406 176.600 -0.545 0.000 1.030 50 K CA 0.122 55.794 56.287 -1.025 0.000 1.097 50 K CB 0.258 31.549 32.500 -2.014 0.000 0.862 50 K HN 0.777 nan 8.250 nan 0.000 0.534 51 G N 2.370 111.025 108.800 -0.242 0.000 2.574 51 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.286 51 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.286 51 G C 0.691 175.599 174.900 0.012 0.000 1.212 51 G CA 0.382 45.474 45.100 -0.015 0.000 0.979 51 G HN 0.212 nan 8.290 nan 0.000 0.557 52 M N 1.995 121.594 119.600 -0.002 0.000 2.700 52 M HA 0.078 4.557 4.480 -0.000 0.000 0.249 52 M C 2.455 178.761 176.300 0.011 0.000 1.082 52 M CA 1.289 56.581 55.300 -0.014 0.000 1.077 52 M CB -0.308 32.256 32.600 -0.061 0.000 1.477 52 M HN 0.642 nan 8.290 nan 0.000 0.529 53 G N -0.178 108.584 108.800 -0.064 0.000 2.650 53 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.214 53 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.214 53 G C 0.317 175.142 174.900 -0.125 0.000 1.136 53 G CA -0.304 44.750 45.100 -0.078 0.000 0.789 53 G HN 0.294 nan 8.290 nan 0.000 0.536 54 F N 2.207 122.130 119.950 -0.046 0.000 2.529 54 F HA 0.251 4.778 4.527 -0.000 0.000 0.365 54 F C 1.512 177.401 175.800 0.148 0.000 1.102 54 F CA -0.571 57.429 58.000 0.001 0.000 1.271 54 F CB 0.954 39.959 39.000 0.008 0.000 1.120 54 F HN 0.048 nan 8.300 nan 0.000 0.579 55 S N 3.933 119.834 115.700 0.334 0.000 2.600 55 S HA 0.083 4.553 4.470 -0.000 0.000 0.265 55 S C 0.906 175.587 174.600 0.134 0.000 1.325 55 S CA -0.928 57.381 58.200 0.182 0.000 1.002 55 S CB 1.101 64.342 63.200 0.069 0.000 0.921 55 S HN 0.710 nan 8.310 nan 0.000 0.554 56 L N 1.444 122.528 121.223 -0.232 0.000 2.042 56 L HA -0.033 4.307 4.340 -0.000 0.000 0.210 56 L C 2.109 178.846 176.870 -0.223 0.000 1.076 56 L CA 1.710 56.401 54.840 -0.247 0.000 0.749 56 L CB -1.124 40.517 42.059 -0.697 0.000 0.893 56 L HN 0.870 nan 8.230 nan 0.000 0.432 57 Y N -0.193 120.038 120.300 -0.115 0.000 2.181 57 Y HA -0.226 4.324 4.550 -0.000 0.000 0.288 57 Y C 2.546 178.430 175.900 -0.026 0.000 1.146 57 Y CA 1.184 59.193 58.100 -0.152 0.000 1.164 57 Y CB -0.252 38.161 38.460 -0.078 0.000 0.982 57 Y HN 0.295 nan 8.280 nan 0.000 0.515 58 E N 0.341 120.687 120.200 0.243 0.000 2.058 58 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 58 E C 2.193 178.818 176.600 0.042 0.000 0.997 58 E CA 1.143 57.672 56.400 0.215 0.000 0.801 58 E CB -0.176 29.678 29.700 0.256 0.000 0.746 58 E HN 0.467 nan 8.360 nan 0.000 0.450 59 R N 0.698 121.204 120.500 0.010 0.000 2.105 59 R HA -0.173 4.167 4.340 -0.000 0.000 0.239 59 R C 2.436 178.733 176.300 -0.006 0.000 1.135 59 R CA 1.458 57.538 56.100 -0.034 0.000 0.967 59 R CB -0.225 30.144 30.300 0.115 0.000 0.861 59 R HN 0.288 nan 8.270 nan 0.000 0.442 60 Q N -0.404 119.368 119.800 -0.046 0.000 2.046 60 Q HA -0.151 4.189 4.340 -0.000 0.000 0.200 60 Q C 1.892 177.881 176.000 -0.018 0.000 0.975 60 Q CA 1.533 57.287 55.803 -0.083 0.000 0.836 60 Q CB -0.216 28.396 28.738 -0.209 0.000 0.896 60 Q HN 0.476 nan 8.270 nan 0.000 0.428 61 Y N 0.664 120.958 120.300 -0.009 0.000 2.165 61 Y HA -0.188 4.362 4.550 -0.000 0.000 0.286 61 Y C 1.920 177.794 175.900 -0.044 0.000 1.155 61 Y CA 0.572 58.661 58.100 -0.020 0.000 1.164 61 Y CB 0.132 38.588 38.460 -0.007 0.000 0.978 61 Y HN 0.068 nan 8.280 nan 0.000 0.513 62 L N -0.842 120.437 121.223 0.093 0.000 2.591 62 L HA 0.194 4.534 4.340 -0.000 0.000 0.228 62 L C 1.356 178.197 176.870 -0.049 0.000 1.133 62 L CA 0.481 55.306 54.840 -0.026 0.000 0.880 62 L CB -0.357 41.609 42.059 -0.155 0.000 1.033 62 L HN 0.395 nan 8.230 nan 0.000 0.450 63 G N 0.645 109.437 108.800 -0.013 0.000 2.221 63 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.265 63 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.265 63 G C 0.576 175.456 174.900 -0.033 0.000 1.041 63 G CA 0.441 45.535 45.100 -0.010 0.000 0.807 63 G HN 0.397 nan 8.290 nan 0.000 0.502 64 L N -1.154 120.037 121.223 -0.054 0.000 2.556 64 L HA 0.278 4.618 4.340 -0.000 0.000 0.226 64 L C 1.394 178.273 176.870 0.015 0.000 1.089 64 L CA -0.517 54.279 54.840 -0.073 0.000 0.864 64 L CB -0.060 41.871 42.059 -0.214 0.000 1.067 64 L HN 0.288 nan 8.230 nan 0.000 0.477 65 H N 1.274 120.314 119.070 -0.050 0.000 3.094 65 H HA 0.247 4.803 4.556 -0.000 0.000 0.320 65 H C 1.157 176.472 175.328 -0.021 0.000 1.000 65 H CA 0.930 56.967 56.048 -0.018 0.000 1.413 65 H CB 0.624 30.384 29.762 -0.004 0.000 1.405 65 H HN 0.304 nan 8.280 nan 0.000 0.586 66 G N 3.347 111.896 108.800 -0.418 0.000 2.258 66 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.233 66 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.233 66 G C 1.112 175.917 174.900 -0.158 0.000 1.006 66 G CA 0.348 45.256 45.100 -0.320 0.000 0.620 66 G HN 0.606 nan 8.290 nan 0.000 0.511 67 L N 0.304 121.467 121.223 -0.101 0.000 2.509 67 L HA 0.458 4.798 4.340 -0.000 0.000 0.222 67 L C 1.109 177.946 176.870 -0.055 0.000 1.123 67 L CA 0.371 55.172 54.840 -0.065 0.000 0.856 67 L CB 0.034 42.067 42.059 -0.044 0.000 0.985 67 L HN 0.210 nan 8.230 nan 0.000 0.456 68 L N -0.973 120.213 121.223 -0.062 0.000 2.319 68 L HA 0.472 4.812 4.340 -0.000 0.000 0.267 68 L C -2.211 174.596 176.870 -0.104 0.000 1.011 68 L CA -2.027 52.779 54.840 -0.057 0.000 0.818 68 L CB 1.375 43.423 42.059 -0.017 0.000 1.316 68 L HN -0.252 nan 8.230 nan 0.000 0.432 69 P HA 0.107 nan 4.420 nan 0.000 0.272 69 P C -2.337 174.834 177.300 -0.215 0.000 1.223 69 P CA -0.955 62.065 63.100 -0.133 0.000 0.784 69 P CB -0.029 31.605 31.700 -0.109 0.000 0.923 70 P HA 0.136 nan 4.420 nan 0.000 0.249 70 P C -0.869 176.210 177.300 -0.369 0.000 1.686 70 P CA 0.404 63.362 63.100 -0.237 0.000 0.873 70 P CB -0.342 31.315 31.700 -0.071 0.000 1.828 71 A N 0.708 123.189 122.820 -0.565 0.000 2.414 71 A HA 0.733 5.053 4.320 -0.000 0.000 0.306 71 A C -1.151 175.982 177.584 -0.752 0.000 1.054 71 A CA -0.575 51.182 52.037 -0.466 0.000 0.724 71 A CB 1.162 20.048 19.000 -0.189 0.000 1.267 71 A HN 0.060 nan 8.150 nan 0.000 0.418 72 F N 1.354 121.313 119.950 0.014 0.000 2.482 72 F HA 0.723 5.250 4.527 -0.000 0.000 0.331 72 F C 0.365 176.176 175.800 0.018 0.000 1.115 72 F CA -0.339 57.672 58.000 0.017 0.000 0.955 72 F CB 1.971 40.971 39.000 -0.001 0.000 1.136 72 F HN 0.426 nan 8.300 nan 0.000 0.452 73 M N 1.496 121.185 119.600 0.148 0.000 2.690 73 M HA 0.551 5.031 4.480 -0.000 0.000 0.302 73 M C -0.282 176.095 176.300 0.129 0.000 1.234 73 M CA -0.921 54.444 55.300 0.109 0.000 0.853 73 M CB 2.710 35.353 32.600 0.072 0.000 1.748 73 M HN 0.659 nan 8.290 nan 0.000 0.469 74 T N -2.552 112.064 114.554 0.104 0.000 2.927 74 T HA 0.244 4.594 4.350 -0.000 0.000 0.281 74 T C 0.572 175.340 174.700 0.114 0.000 0.998 74 T CA -0.731 61.432 62.100 0.107 0.000 1.019 74 T CB 1.774 70.677 68.868 0.059 0.000 1.061 74 T HN 0.795 nan 8.240 nan 0.000 0.518 75 Q N -0.168 119.684 119.800 0.087 0.000 2.167 75 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 75 Q C 2.078 178.067 176.000 -0.019 0.000 0.970 75 Q CA 1.501 57.289 55.803 -0.024 0.000 0.855 75 Q CB -0.055 28.459 28.738 -0.372 0.000 0.911 75 Q HN 0.913 nan 8.270 nan 0.000 0.438 76 E N 0.160 120.357 120.200 -0.005 0.000 2.110 76 E HA -0.268 4.082 4.350 -0.000 0.000 0.193 76 E C 1.980 178.622 176.600 0.071 0.000 0.988 76 E CA 1.182 57.596 56.400 0.023 0.000 0.804 76 E CB 0.002 29.710 29.700 0.014 0.000 0.745 76 E HN 0.410 nan 8.360 nan 0.000 0.458 77 Q N 0.202 120.037 119.800 0.058 0.000 2.084 77 Q HA -0.236 4.104 4.340 -0.000 0.000 0.202 77 Q C 2.126 178.195 176.000 0.115 0.000 0.978 77 Q CA 1.629 57.470 55.803 0.063 0.000 0.844 77 Q CB 0.046 28.803 28.738 0.033 0.000 0.898 77 Q HN 0.361 nan 8.270 nan 0.000 0.426 78 Q N -0.361 119.497 119.800 0.097 0.000 2.119 78 Q HA -0.118 4.222 4.340 -0.000 0.000 0.201 78 Q C 2.050 178.107 176.000 0.096 0.000 0.972 78 Q CA 1.279 57.140 55.803 0.097 0.000 0.847 78 Q CB -0.123 28.676 28.738 0.102 0.000 0.903 78 Q HN 0.492 nan 8.270 nan 0.000 0.433 79 A N 0.055 122.929 122.820 0.089 0.000 1.930 79 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 79 A C 1.845 179.489 177.584 0.101 0.000 1.175 79 A CA 1.161 53.246 52.037 0.080 0.000 0.627 79 A CB -0.747 18.295 19.000 0.070 0.000 0.815 79 A HN 0.535 nan 8.150 nan 0.000 0.443 80 Y N 0.463 120.777 120.300 0.022 0.000 2.200 80 Y HA -0.198 4.352 4.550 -0.000 0.000 0.290 80 Y C 2.517 178.416 175.900 -0.001 0.000 1.137 80 Y CA 2.011 60.120 58.100 0.015 0.000 1.163 80 Y CB -0.176 38.294 38.460 0.017 0.000 0.988 80 Y HN 0.243 nan 8.280 nan 0.000 0.518 81 R N -0.684 119.957 120.500 0.234 0.000 2.096 81 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 81 R C 2.156 178.455 176.300 -0.000 0.000 1.127 81 R CA 1.617 57.796 56.100 0.131 0.000 0.968 81 R CB -0.622 29.751 30.300 0.122 0.000 0.861 81 R HN 0.266 nan 8.270 nan 0.000 0.440 82 V N 1.169 121.080 119.914 -0.005 0.000 2.358 82 V HA -0.208 3.911 4.120 -0.000 0.000 0.246 82 V C 2.230 178.265 176.094 -0.098 0.000 1.047 82 V CA 1.344 63.624 62.300 -0.034 0.000 1.035 82 V CB -0.322 31.496 31.823 -0.008 0.000 0.658 82 V HN 0.264 nan 8.190 nan 0.000 0.452 83 I N 0.193 120.667 120.570 -0.160 0.000 2.394 83 I HA -0.181 3.989 4.170 -0.000 0.000 0.251 83 I C 2.491 178.451 176.117 -0.261 0.000 1.136 83 I CA 1.695 62.841 61.300 -0.257 0.000 1.425 83 I CB -1.455 36.323 38.000 -0.369 0.000 1.079 83 I HN 0.347 nan 8.210 nan 0.000 0.425 84 T N 1.139 115.516 114.554 -0.294 0.000 2.674 84 T HA -0.186 4.164 4.350 -0.000 0.000 0.265 84 T C 1.917 176.537 174.700 -0.134 0.000 1.039 84 T CA 1.382 63.333 62.100 -0.247 0.000 1.150 84 T CB -0.108 68.618 68.868 -0.237 0.000 0.864 84 T HN 0.329 nan 8.240 nan 0.000 0.427 85 K N 0.436 120.779 120.400 -0.095 0.000 2.147 85 K HA -0.009 4.311 4.320 -0.000 0.000 0.205 85 K C 2.138 178.702 176.600 -0.060 0.000 1.049 85 K CA 0.712 56.964 56.287 -0.059 0.000 0.936 85 K CB -0.289 32.188 32.500 -0.039 0.000 0.722 85 K HN 0.108 nan 8.250 nan 0.000 0.446 86 L N 1.367 122.542 121.223 -0.080 0.000 2.017 86 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 86 L C 2.067 178.896 176.870 -0.068 0.000 1.073 86 L CA 1.685 56.483 54.840 -0.071 0.000 0.745 86 L CB -0.304 41.696 42.059 -0.098 0.000 0.894 86 L HN 0.045 nan 8.230 nan 0.000 0.432 87 R N -0.818 119.625 120.500 -0.095 0.000 2.235 87 R HA -0.049 4.291 4.340 -0.000 0.000 0.213 87 R C 1.630 177.898 176.300 -0.054 0.000 1.059 87 R CA 0.677 56.729 56.100 -0.080 0.000 0.997 87 R CB -0.058 30.178 30.300 -0.106 0.000 0.884 87 R HN 0.483 nan 8.270 nan 0.000 0.462 88 E N 0.334 120.504 120.200 -0.051 0.000 2.478 88 E HA -0.010 4.340 4.350 -0.000 0.000 0.194 88 E C 0.014 176.603 176.600 -0.020 0.000 1.045 88 E CA 0.053 56.434 56.400 -0.033 0.000 0.868 88 E CB 0.331 30.011 29.700 -0.033 0.000 0.885 88 E HN 0.219 nan 8.360 nan 0.000 0.505 89 Q N 0.663 120.452 119.800 -0.018 0.000 2.392 89 Q HA 0.032 4.372 4.340 -0.000 0.000 0.262 89 Q C -1.637 174.365 176.000 0.005 0.000 1.003 89 Q CA -1.103 54.699 55.803 -0.002 0.000 0.888 89 Q CB 0.367 29.109 28.738 0.007 0.000 1.260 89 Q HN 0.002 nan 8.270 nan 0.000 0.435 90 P HA -0.150 nan 4.420 nan 0.000 0.218 90 P C -0.555 176.755 177.300 0.018 0.000 1.149 90 P CA 1.344 64.453 63.100 0.015 0.000 0.817 90 P CB 0.422 32.135 31.700 0.021 0.000 0.785 91 N N -4.158 114.560 118.700 0.029 0.000 3.116 91 N HA 0.106 4.846 4.740 -0.000 0.000 0.244 91 N C -0.375 175.163 175.510 0.047 0.000 1.485 91 N CA -0.666 52.402 53.050 0.029 0.000 0.884 91 N CB -0.296 38.207 38.487 0.027 0.000 1.415 91 N HN -0.415 nan 8.380 nan 0.000 0.524 92 D N -0.332 120.092 120.400 0.040 0.000 2.178 92 D HA -0.050 4.590 4.640 -0.000 0.000 0.201 92 D C 1.517 177.890 176.300 0.121 0.000 0.980 92 D CA 0.917 54.954 54.000 0.063 0.000 0.842 92 D CB -0.087 40.735 40.800 0.036 0.000 0.948 92 D HN 0.346 nan 8.370 nan 0.000 0.472 93 L N 0.857 122.150 121.223 0.117 0.000 2.083 93 L HA -0.076 4.264 4.340 -0.000 0.000 0.209 93 L C 2.321 179.390 176.870 0.332 0.000 1.083 93 L CA 1.187 56.164 54.840 0.229 0.000 0.752 93 L CB -0.963 41.189 42.059 0.155 0.000 0.899 93 L HN -0.039 nan 8.230 nan 0.000 0.433 94 A N -1.190 121.754 122.820 0.207 0.000 1.969 94 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 94 A C 2.448 180.095 177.584 0.104 0.000 1.169 94 A CA 1.163 53.282 52.037 0.137 0.000 0.635 94 A CB -0.382 18.667 19.000 0.083 0.000 0.810 94 A HN 0.349 nan 8.150 nan 0.000 0.445 95 R N -2.309 118.259 120.500 0.113 0.000 2.115 95 R HA -0.070 4.270 4.340 -0.000 0.000 0.226 95 R C 2.042 178.410 176.300 0.113 0.000 1.100 95 R CA 1.322 57.471 56.100 0.082 0.000 0.980 95 R CB -0.392 29.947 30.300 0.065 0.000 0.875 95 R HN 0.706 nan 8.270 nan 0.000 0.445 96 Y N 1.434 121.776 120.300 0.070 0.000 2.145 96 Y HA -0.228 4.322 4.550 -0.000 0.000 0.286 96 Y C 1.961 177.893 175.900 0.054 0.000 1.145 96 Y CA 1.419 59.571 58.100 0.087 0.000 1.148 96 Y CB -0.060 38.477 38.460 0.128 0.000 0.981 96 Y HN -0.101 nan 8.280 nan 0.000 0.507 97 I N 0.818 121.438 120.570 0.082 0.000 2.286 97 I HA -0.309 3.861 4.170 -0.000 0.000 0.248 97 I C 2.454 178.494 176.117 -0.129 0.000 1.115 97 I CA 1.680 62.926 61.300 -0.089 0.000 1.392 97 I CB -1.389 36.545 38.000 -0.110 0.000 1.065 97 I HN 0.467 nan 8.210 nan 0.000 0.418 98 Q N 0.305 120.066 119.800 -0.066 0.000 2.079 98 Q HA -0.204 4.136 4.340 -0.000 0.000 0.200 98 Q C 2.292 178.257 176.000 -0.058 0.000 0.974 98 Q CA 1.259 57.029 55.803 -0.055 0.000 0.840 98 Q CB 0.093 28.816 28.738 -0.024 0.000 0.898 98 Q HN 0.270 nan 8.270 nan 0.000 0.430 99 L N 1.190 122.381 121.223 -0.054 0.000 2.093 99 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 99 L C 1.817 178.628 176.870 -0.098 0.000 1.085 99 L CA 1.997 56.858 54.840 0.035 0.000 0.755 99 L CB -0.715 41.398 42.059 0.089 0.000 0.904 99 L HN 0.277 nan 8.230 nan 0.000 0.435 100 D N -1.361 118.856 120.400 -0.304 0.000 2.144 100 D HA -0.139 4.501 4.640 -0.000 0.000 0.199 100 D C 2.189 178.318 176.300 -0.285 0.000 0.984 100 D CA 1.268 55.036 54.000 -0.386 0.000 0.834 100 D CB -0.153 40.365 40.800 -0.470 0.000 0.955 100 D HN 0.309 nan 8.370 nan 0.000 0.465 101 G N 0.100 108.781 108.800 -0.198 0.000 2.408 101 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.217 101 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.217 101 G C 1.490 176.310 174.900 -0.134 0.000 1.150 101 G CA 0.760 45.773 45.100 -0.144 0.000 0.776 101 G HN 0.327 nan 8.290 nan 0.000 0.542 102 L N 0.519 121.678 121.223 -0.107 0.000 2.017 102 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 102 L C 2.740 179.512 176.870 -0.164 0.000 1.073 102 L CA 2.522 57.337 54.840 -0.043 0.000 0.745 102 L CB -0.773 41.352 42.059 0.111 0.000 0.894 102 L HN 0.394 nan 8.230 nan 0.000 0.432 103 Q N -0.974 118.510 119.800 -0.526 0.000 2.181 103 Q HA -0.236 4.104 4.340 -0.000 0.000 0.205 103 Q C 1.189 176.951 176.000 -0.396 0.000 0.980 103 Q CA 1.930 57.197 55.803 -0.894 0.000 0.862 103 Q CB -0.054 27.749 28.738 -1.558 0.000 0.905 103 Q HN 0.544 nan 8.270 nan 0.000 0.429 104 D N -0.776 119.455 120.400 -0.281 0.000 2.355 104 D HA -0.041 4.599 4.640 -0.000 0.000 0.218 104 D C 1.490 177.726 176.300 -0.107 0.000 1.004 104 D CA 0.481 54.381 54.000 -0.166 0.000 0.880 104 D CB 0.122 40.839 40.800 -0.137 0.000 0.911 104 D HN 0.290 nan 8.370 nan 0.000 0.528 105 R N 0.090 120.534 120.500 -0.092 0.000 2.140 105 R HA 0.143 4.483 4.340 -0.000 0.000 0.200 105 R C 0.064 176.360 176.300 -0.007 0.000 1.069 105 R CA 0.256 56.331 56.100 -0.042 0.000 1.088 105 R CB 0.505 30.787 30.300 -0.030 0.000 1.012 105 R HN -0.054 nan 8.270 nan 0.000 0.500 106 N N 0.769 119.477 118.700 0.012 0.000 2.653 106 N HA -0.004 4.736 4.740 -0.000 0.000 0.261 106 N C -0.295 175.284 175.510 0.115 0.000 1.216 106 N CA -0.145 52.947 53.050 0.069 0.000 0.784 106 N CB 1.367 39.906 38.487 0.086 0.000 1.327 106 N HN 0.189 nan 8.380 nan 0.000 0.539 107 E N 2.234 122.508 120.200 0.124 0.000 2.085 107 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 107 E C 1.147 177.969 176.600 0.370 0.000 0.994 107 E CA 1.236 57.755 56.400 0.198 0.000 0.801 107 E CB 0.304 30.128 29.700 0.207 0.000 0.743 107 E HN 0.467 nan 8.360 nan 0.000 0.453 108 K N 0.366 120.979 120.400 0.354 0.000 2.057 108 K HA -0.171 4.149 4.320 -0.000 0.000 0.207 108 K C 2.244 178.948 176.600 0.173 0.000 1.049 108 K CA 0.708 57.184 56.287 0.316 0.000 0.931 108 K CB -0.455 32.186 32.500 0.235 0.000 0.714 108 K HN 0.209 nan 8.250 nan 0.000 0.440 109 L N 0.757 122.071 121.223 0.151 0.000 2.056 109 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 109 L C 2.186 179.103 176.870 0.079 0.000 1.078 109 L CA 1.349 56.232 54.840 0.072 0.000 0.749 109 L CB -0.738 41.389 42.059 0.114 0.000 0.901 109 L HN 0.054 nan 8.230 nan 0.000 0.433 110 F N -0.358 119.558 119.950 -0.057 0.000 2.065 110 F HA -0.316 4.211 4.527 -0.000 0.000 0.298 110 F C 2.117 177.802 175.800 -0.192 0.000 1.112 110 F CA 2.016 59.903 58.000 -0.188 0.000 1.212 110 F CB -0.764 38.014 39.000 -0.370 0.000 0.975 110 F HN 0.169 nan 8.300 nan 0.000 0.476 111 Y N -0.489 119.831 120.300 0.034 0.000 2.373 111 Y HA -0.135 4.415 4.550 -0.000 0.000 0.293 111 Y C 2.521 178.375 175.900 -0.076 0.000 1.129 111 Y CA 0.918 58.986 58.100 -0.054 0.000 1.226 111 Y CB -0.382 38.232 38.460 0.257 0.000 1.000 111 Y HN 0.023 nan 8.280 nan 0.000 0.549 112 R N 0.600 121.138 120.500 0.062 0.000 2.075 112 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 112 R C 1.817 178.093 176.300 -0.040 0.000 1.126 112 R CA 1.694 57.783 56.100 -0.018 0.000 0.963 112 R CB -1.103 29.153 30.300 -0.073 0.000 0.858 112 R HN 0.159 nan 8.270 nan 0.000 0.435 113 V N -0.076 119.805 119.914 -0.055 0.000 2.270 113 V HA -0.187 3.932 4.120 -0.000 0.000 0.245 113 V C 2.371 178.451 176.094 -0.024 0.000 1.043 113 V CA 1.773 64.069 62.300 -0.006 0.000 1.014 113 V CB -0.443 31.357 31.823 -0.040 0.000 0.645 113 V HN 0.197 nan 8.190 nan 0.000 0.447 114 V N -0.804 118.989 119.914 -0.202 0.000 2.332 114 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 114 V C 2.518 178.574 176.094 -0.064 0.000 1.055 114 V CA 2.340 64.532 62.300 -0.181 0.000 1.038 114 V CB -0.804 30.794 31.823 -0.375 0.000 0.651 114 V HN 0.660 nan 8.190 nan 0.000 0.450 115 C N -0.125 119.147 119.300 -0.046 0.000 2.435 115 C HA -0.116 4.344 4.460 -0.000 0.000 0.279 115 C C 2.387 177.324 174.990 -0.088 0.000 1.321 115 C CA 0.738 59.737 59.018 -0.032 0.000 1.752 115 C CB -1.052 26.686 27.740 -0.003 0.000 1.959 115 C HN 0.586 nan 8.230 nan 0.000 0.500 116 D N -0.974 119.338 120.400 -0.147 0.000 2.277 116 D HA -0.009 4.631 4.640 -0.000 0.000 0.208 116 D C 0.896 176.838 176.300 -0.597 0.000 0.962 116 D CA 1.053 54.840 54.000 -0.355 0.000 0.865 116 D CB -0.169 40.372 40.800 -0.431 0.000 0.939 116 D HN 0.596 nan 8.370 nan 0.000 0.510 117 H N -0.140 118.907 119.070 -0.038 0.000 2.535 117 H HA 0.147 4.703 4.556 -0.000 0.000 0.232 117 H C 1.332 176.643 175.328 -0.029 0.000 1.405 117 H CA -0.220 55.810 56.048 -0.031 0.000 1.224 117 H CB 0.544 30.282 29.762 -0.040 0.000 1.763 117 H HN -0.135 nan 8.280 nan 0.000 0.529 118 V N 1.567 121.495 119.914 0.024 0.000 2.255 118 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 118 V C 2.410 178.520 176.094 0.027 0.000 1.051 118 V CA 2.327 64.636 62.300 0.015 0.000 1.018 118 V CB -0.120 31.698 31.823 -0.009 0.000 0.641 118 V HN 0.393 nan 8.190 nan 0.000 0.445 119 K N -0.713 119.706 120.400 0.033 0.000 2.147 119 K HA -0.252 4.068 4.320 -0.000 0.000 0.205 119 K C 2.237 178.862 176.600 0.042 0.000 1.049 119 K CA 2.132 58.440 56.287 0.035 0.000 0.936 119 K CB -0.200 32.327 32.500 0.045 0.000 0.722 119 K HN 0.735 nan 8.250 nan 0.000 0.446 120 E N 0.013 120.248 120.200 0.059 0.000 2.076 120 E HA -0.084 4.266 4.350 -0.000 0.000 0.190 120 E C 1.751 178.374 176.600 0.039 0.000 0.979 120 E CA 0.659 57.087 56.400 0.047 0.000 0.807 120 E CB 0.212 29.943 29.700 0.052 0.000 0.761 120 E HN 0.298 nan 8.360 nan 0.000 0.454 121 L N 0.224 121.475 121.223 0.047 0.000 2.463 121 L HA 0.136 4.476 4.340 -0.000 0.000 0.219 121 L C 2.458 179.365 176.870 0.062 0.000 1.088 121 L CA -0.103 54.762 54.840 0.041 0.000 0.849 121 L CB -0.126 41.940 42.059 0.013 0.000 1.012 121 L HN 0.203 nan 8.230 nan 0.000 0.468 122 M N 1.722 121.357 119.600 0.060 0.000 2.106 122 M HA -0.121 4.359 4.480 -0.000 0.000 0.259 122 M C -0.755 175.620 176.300 0.124 0.000 1.068 122 M CA 2.102 57.456 55.300 0.090 0.000 1.100 122 M CB -0.669 31.964 32.600 0.055 0.000 1.351 122 M HN -0.009 nan 8.290 nan 0.000 0.404 123 P HA -0.060 nan 4.420 nan 0.000 0.237 123 P C 1.141 178.496 177.300 0.091 0.000 1.178 123 P CA 0.962 64.107 63.100 0.075 0.000 0.766 123 P CB -0.145 31.576 31.700 0.034 0.000 0.876 124 I N -1.081 119.563 120.570 0.123 0.000 2.729 124 I HA -0.047 4.123 4.170 -0.000 0.000 0.256 124 I C 2.487 178.773 176.117 0.281 0.000 1.115 124 I CA 0.641 62.043 61.300 0.171 0.000 1.446 124 I CB -1.238 36.844 38.000 0.137 0.000 1.176 124 I HN -0.182 nan 8.210 nan 0.000 0.446 125 V N 0.324 120.389 119.914 0.250 0.000 2.343 125 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 125 V C 1.654 178.007 176.094 0.432 0.000 1.051 125 V CA 2.021 64.512 62.300 0.318 0.000 1.036 125 V CB -0.581 31.398 31.823 0.260 0.000 0.654 125 V HN 0.420 nan 8.190 nan 0.000 0.451 126 Y N -1.282 119.128 120.300 0.185 0.000 2.194 126 Y HA 0.225 4.775 4.550 -0.000 0.000 0.087 126 Y C 1.853 177.810 175.900 0.095 0.000 1.276 126 Y CA 0.572 58.762 58.100 0.151 0.000 1.701 126 Y CB 0.138 38.694 38.460 0.159 0.000 1.103 126 Y HN 0.120 nan 8.280 nan 0.000 0.209 127 T N 1.708 116.312 114.554 0.083 0.000 5.690 127 T HA -0.268 4.082 4.350 -0.000 0.000 0.185 127 T C -1.474 173.127 174.700 -0.163 0.000 1.700 127 T CA 2.657 64.742 62.100 -0.025 0.000 1.180 127 T CB -2.537 66.379 68.868 0.080 0.000 1.351 127 T HN 0.584 nan 8.240 nan 0.000 0.460 128 P HA 0.238 nan 4.420 nan 0.000 0.260 128 P C 1.206 178.425 177.300 -0.135 0.000 1.222 128 P CA 0.934 63.961 63.100 -0.123 0.000 0.843 128 P CB 0.072 31.719 31.700 -0.088 0.000 1.159 129 T N 0.368 114.865 114.554 -0.095 0.000 2.857 129 T HA -0.073 4.277 4.350 -0.000 0.000 0.266 129 T C 1.875 176.431 174.700 -0.240 0.000 1.048 129 T CA 0.909 62.942 62.100 -0.112 0.000 1.139 129 T CB -0.946 67.922 68.868 0.001 0.000 0.874 129 T HN -0.137 nan 8.240 nan 0.000 0.455 130 V N 1.884 121.673 119.914 -0.209 0.000 2.282 130 V HA -0.150 3.970 4.120 -0.000 0.000 0.249 130 V C 2.597 178.496 176.094 -0.325 0.000 1.057 130 V CA 2.508 64.629 62.300 -0.300 0.000 1.032 130 V CB -1.156 30.628 31.823 -0.065 0.000 0.645 130 V HN 0.580 nan 8.190 nan 0.000 0.447 131 G N -0.552 108.088 108.800 -0.268 0.000 2.422 131 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 131 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 131 G C 1.523 176.292 174.900 -0.219 0.000 1.146 131 G CA 1.125 46.098 45.100 -0.213 0.000 0.769 131 G HN 0.525 nan 8.290 nan 0.000 0.547 132 L N 1.163 122.235 121.223 -0.251 0.000 2.156 132 L HA 0.290 4.630 4.340 -0.000 0.000 0.208 132 L C 2.949 179.589 176.870 -0.384 0.000 1.095 132 L CA 1.820 56.498 54.840 -0.271 0.000 0.770 132 L CB -0.564 41.351 42.059 -0.240 0.000 0.914 132 L HN 0.212 nan 8.230 nan 0.000 0.439 133 A N -1.407 121.142 122.820 -0.451 0.000 1.930 133 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 133 A C 2.367 179.772 177.584 -0.299 0.000 1.175 133 A CA 1.615 53.358 52.037 -0.490 0.000 0.627 133 A CB -1.366 17.153 19.000 -0.802 0.000 0.815 133 A HN 0.594 nan 8.150 nan 0.000 0.443 134 C N -1.031 118.125 119.300 -0.241 0.000 2.432 134 C HA -0.118 4.342 4.460 -0.000 0.000 0.277 134 C C 2.840 177.741 174.990 -0.149 0.000 1.249 134 C CA 1.269 60.218 59.018 -0.114 0.000 1.725 134 C CB -1.251 26.472 27.740 -0.029 0.000 2.028 134 C HN 0.781 nan 8.230 nan 0.000 0.477 135 Q N 1.060 120.768 119.800 -0.153 0.000 2.020 135 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 135 Q C 1.842 177.719 176.000 -0.205 0.000 0.982 135 Q CA 1.863 57.596 55.803 -0.117 0.000 0.838 135 Q CB -0.239 28.425 28.738 -0.124 0.000 0.899 135 Q HN 0.753 nan 8.270 nan 0.000 0.423 136 N N -1.180 117.309 118.700 -0.352 0.000 2.300 136 N HA -0.042 4.697 4.740 -0.000 0.000 0.179 136 N C 1.441 176.714 175.510 -0.395 0.000 1.016 136 N CA 0.812 53.597 53.050 -0.441 0.000 0.876 136 N CB 0.059 38.147 38.487 -0.665 0.000 0.979 136 N HN 0.215 nan 8.380 nan 0.000 0.432 137 F N 0.555 120.376 119.950 -0.216 0.000 2.446 137 F HA 0.211 4.738 4.527 -0.000 0.000 0.292 137 F C 1.940 177.531 175.800 -0.348 0.000 1.096 137 F CA 0.076 57.942 58.000 -0.223 0.000 1.438 137 F CB 0.111 39.011 39.000 -0.167 0.000 1.107 137 F HN 0.023 nan 8.300 nan 0.000 0.546 138 G N 0.484 109.004 108.800 -0.466 0.000 2.509 138 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.259 138 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.259 138 G C -0.749 173.870 174.900 -0.469 0.000 1.169 138 G CA -0.033 44.382 45.100 -1.141 0.000 0.953 138 G HN 0.224 nan 8.290 nan 0.000 0.563 139 Y N 2.383 122.549 120.300 -0.224 0.000 2.620 139 Y HA 0.560 5.110 4.550 -0.000 0.000 0.352 139 Y C 1.149 176.880 175.900 -0.282 0.000 1.140 139 Y CA -0.458 57.596 58.100 -0.077 0.000 1.529 139 Y CB -0.332 38.134 38.460 0.010 0.000 1.321 139 Y HN 0.612 nan 8.280 nan 0.000 0.501 140 I N 6.160 126.436 120.570 -0.491 0.000 2.638 140 I HA 0.183 4.353 4.170 -0.000 0.000 0.286 140 I C -1.005 174.631 176.117 -0.802 0.000 1.088 140 I CA -0.701 60.239 61.300 -0.601 0.000 1.397 140 I CB 0.624 38.481 38.000 -0.239 0.000 1.414 140 I HN 0.464 nan 8.210 nan 0.000 0.566 141 Y N 7.210 127.287 120.300 -0.371 0.000 2.359 141 Y HA 0.464 5.013 4.550 -0.000 0.000 0.334 141 Y C 0.386 176.155 175.900 -0.218 0.000 1.058 141 Y CA -0.379 57.525 58.100 -0.327 0.000 1.244 141 Y CB 0.390 38.731 38.460 -0.199 0.000 1.187 141 Y HN 0.518 nan 8.280 nan 0.000 0.510 142 R N 0.588 121.064 120.500 -0.041 0.000 2.741 142 R HA 0.467 4.807 4.340 -0.000 0.000 0.276 142 R C -1.599 174.704 176.300 0.006 0.000 1.028 142 R CA -1.366 54.717 56.100 -0.028 0.000 0.865 142 R CB 1.165 31.432 30.300 -0.054 0.000 1.268 142 R HN 0.405 nan 8.270 nan 0.000 0.475 143 K N 0.808 121.202 120.400 -0.011 0.000 2.319 143 K HA 0.198 4.518 4.320 -0.000 0.000 0.265 143 K C -2.228 174.404 176.600 0.053 0.000 1.000 143 K CA -1.381 54.904 56.287 -0.003 0.000 0.943 143 K CB 0.258 32.727 32.500 -0.052 0.000 0.950 143 K HN 0.338 nan 8.250 nan 0.000 0.485 144 P HA -0.046 nan 4.420 nan 0.000 0.261 144 P C -0.489 176.962 177.300 0.251 0.000 1.203 144 P CA 0.428 63.648 63.100 0.200 0.000 0.767 144 P CB 0.198 32.028 31.700 0.217 0.000 0.785 145 K N 2.096 122.674 120.400 0.298 0.000 2.564 145 K HA 0.537 4.857 4.320 -0.000 0.000 0.201 145 K C 0.294 177.127 176.600 0.388 0.000 1.086 145 K CA -0.664 55.846 56.287 0.371 0.000 1.062 145 K CB 0.712 33.310 32.500 0.163 0.000 0.849 145 K HN 0.439 nan 8.250 nan 0.000 0.529 146 G N 0.881 109.878 108.800 0.328 0.000 2.559 146 G HA2 0.500 4.460 3.960 -0.000 0.000 0.291 146 G HA3 0.500 4.460 3.960 -0.000 0.000 0.291 146 G C -1.994 172.877 174.900 -0.049 0.000 1.424 146 G CA -0.945 44.130 45.100 -0.042 0.000 0.786 146 G HN 0.042 nan 8.290 nan 0.000 0.485 147 L N 0.019 121.089 121.223 -0.255 0.000 2.346 147 L HA 0.518 4.858 4.340 -0.000 0.000 0.276 147 L C -1.221 175.527 176.870 -0.204 0.000 1.006 147 L CA -0.964 53.804 54.840 -0.121 0.000 0.817 147 L CB 2.170 44.144 42.059 -0.142 0.000 1.272 147 L HN 0.528 nan 8.230 nan 0.000 0.421 148 Y N 3.592 123.878 120.300 -0.023 0.000 2.342 148 Y HA 0.519 5.068 4.550 -0.000 0.000 0.338 148 Y C -0.009 175.860 175.900 -0.052 0.000 0.965 148 Y CA -0.361 57.708 58.100 -0.051 0.000 1.159 148 Y CB 1.272 39.706 38.460 -0.043 0.000 1.157 148 Y HN 0.314 nan 8.280 nan 0.000 0.486 149 I N 3.836 124.429 120.570 0.038 0.000 2.418 149 I HA 0.343 4.513 4.170 -0.000 0.000 0.287 149 I C 0.068 176.178 176.117 -0.013 0.000 1.008 149 I CA -0.574 60.732 61.300 0.010 0.000 1.104 149 I CB 1.860 39.842 38.000 -0.029 0.000 1.264 149 I HN 0.629 nan 8.210 nan 0.000 0.438 150 T N 2.174 116.735 114.554 0.012 0.000 2.922 150 T HA 0.363 4.713 4.350 -0.000 0.000 0.281 150 T C 0.790 175.502 174.700 0.020 0.000 1.005 150 T CA -0.579 61.528 62.100 0.010 0.000 0.982 150 T CB 1.577 70.454 68.868 0.016 0.000 1.158 150 T HN 0.415 nan 8.240 nan 0.000 0.566 151 I N 0.929 121.527 120.570 0.046 0.000 2.916 151 I HA 0.037 4.207 4.170 -0.000 0.000 0.267 151 I C 1.252 177.402 176.117 0.055 0.000 1.263 151 I CA 0.964 62.300 61.300 0.061 0.000 1.471 151 I CB -0.636 37.432 38.000 0.113 0.000 1.089 151 I HN 0.533 nan 8.210 nan 0.000 0.468 152 N N 0.418 119.149 118.700 0.052 0.000 2.336 152 N HA 0.043 4.783 4.740 -0.000 0.000 0.189 152 N C -0.049 175.481 175.510 0.033 0.000 1.113 152 N CA 0.416 53.491 53.050 0.042 0.000 0.858 152 N CB 0.088 38.599 38.487 0.040 0.000 0.970 152 N HN 0.381 nan 8.380 nan 0.000 0.471 153 D N 0.119 120.540 120.400 0.035 0.000 2.772 153 D HA 0.040 4.680 4.640 -0.000 0.000 0.272 153 D C -0.189 176.137 176.300 0.043 0.000 1.314 153 D CA -0.166 53.858 54.000 0.039 0.000 0.835 153 D CB -0.218 40.608 40.800 0.042 0.000 1.080 153 D HN -0.085 nan 8.370 nan 0.000 0.482 154 N N 1.892 120.615 118.700 0.039 0.000 2.971 154 N HA 0.007 4.747 4.740 -0.000 0.000 0.294 154 N C -0.877 174.658 175.510 0.041 0.000 1.210 154 N CA 0.164 53.238 53.050 0.040 0.000 1.157 154 N CB -0.238 38.272 38.487 0.038 0.000 1.450 154 N HN 0.094 nan 8.380 nan 0.000 0.527 155 S N -1.608 114.119 115.700 0.046 0.000 2.567 155 S HA 0.237 4.707 4.470 -0.000 0.000 0.270 155 S C 0.805 175.433 174.600 0.047 0.000 1.152 155 S CA -0.808 57.416 58.200 0.040 0.000 0.835 155 S CB 0.717 63.935 63.200 0.030 0.000 1.115 155 S HN -0.145 nan 8.310 nan 0.000 0.459 156 V N 2.087 122.021 119.914 0.035 0.000 2.332 156 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 156 V C 2.693 178.818 176.094 0.053 0.000 1.055 156 V CA 2.675 64.996 62.300 0.035 0.000 1.038 156 V CB -1.219 30.606 31.823 0.004 0.000 0.651 156 V HN 0.930 nan 8.190 nan 0.000 0.450 157 S N -0.664 115.049 115.700 0.022 0.000 2.368 157 S HA -0.201 4.269 4.470 -0.000 0.000 0.225 157 S C 1.993 176.647 174.600 0.090 0.000 1.030 157 S CA 1.502 59.718 58.200 0.027 0.000 0.999 157 S CB -0.250 62.945 63.200 -0.010 0.000 0.844 157 S HN 0.583 nan 8.310 nan 0.000 0.459 158 K N 0.792 121.234 120.400 0.069 0.000 2.057 158 K HA 0.045 4.365 4.320 -0.000 0.000 0.207 158 K C 1.932 178.586 176.600 0.090 0.000 1.049 158 K CA 1.142 57.472 56.287 0.072 0.000 0.931 158 K CB -0.259 32.273 32.500 0.054 0.000 0.714 158 K HN 0.337 nan 8.250 nan 0.000 0.440 159 I N -0.286 120.343 120.570 0.098 0.000 2.353 159 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 159 I C 2.185 178.359 176.117 0.094 0.000 1.119 159 I CA 0.976 62.336 61.300 0.100 0.000 1.417 159 I CB -0.227 37.842 38.000 0.115 0.000 1.078 159 I HN 0.141 nan 8.210 nan 0.000 0.421 160 Y N 1.910 122.196 120.300 -0.024 0.000 2.165 160 Y HA -0.300 4.250 4.550 -0.000 0.000 0.286 160 Y C 2.728 178.611 175.900 -0.027 0.000 1.155 160 Y CA 1.652 59.718 58.100 -0.056 0.000 1.164 160 Y CB -0.019 38.403 38.460 -0.063 0.000 0.978 160 Y HN 0.154 nan 8.280 nan 0.000 0.513 161 Q N 0.066 119.976 119.800 0.182 0.000 2.167 161 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 161 Q C 2.417 178.451 176.000 0.056 0.000 0.970 161 Q CA 1.662 57.535 55.803 0.116 0.000 0.855 161 Q CB -0.312 28.494 28.738 0.113 0.000 0.911 161 Q HN 0.617 nan 8.270 nan 0.000 0.438 162 I N 0.355 120.959 120.570 0.056 0.000 2.252 162 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 162 I C 2.178 178.327 176.117 0.054 0.000 1.102 162 I CA 0.821 62.160 61.300 0.065 0.000 1.385 162 I CB -0.283 37.760 38.000 0.072 0.000 1.064 162 I HN 0.122 nan 8.210 nan 0.000 0.414 163 L N -0.104 121.109 121.223 -0.016 0.000 2.083 163 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 163 L C 2.529 179.393 176.870 -0.010 0.000 1.083 163 L CA 1.100 55.919 54.840 -0.034 0.000 0.752 163 L CB -0.612 41.319 42.059 -0.214 0.000 0.899 163 L HN 0.166 nan 8.230 nan 0.000 0.433 164 S N -0.061 115.571 115.700 -0.114 0.000 2.469 164 S HA -0.084 4.386 4.470 -0.000 0.000 0.238 164 S C 1.475 176.113 174.600 0.064 0.000 0.998 164 S CA 0.744 58.907 58.200 -0.062 0.000 0.957 164 S CB -0.283 62.881 63.200 -0.060 0.000 0.764 164 S HN 0.456 nan 8.310 nan 0.000 0.514 165 N N 0.098 118.862 118.700 0.108 0.000 2.412 165 N HA 0.026 4.766 4.740 -0.000 0.000 0.184 165 N C -0.042 175.592 175.510 0.207 0.000 1.101 165 N CA 0.048 53.183 53.050 0.143 0.000 0.881 165 N CB 0.054 38.626 38.487 0.140 0.000 0.969 165 N HN 0.552 nan 8.380 nan 0.000 0.459 166 W N 2.994 124.277 121.300 -0.027 0.000 2.238 166 W HA 0.017 4.677 4.660 0.000 0.000 0.321 166 W C 1.119 177.575 176.519 -0.106 0.000 1.293 166 W CA -0.364 56.882 57.345 -0.166 0.000 1.204 166 W CB 0.607 29.972 29.460 -0.158 0.000 1.167 166 W HN 0.221 nan 8.180 nan 0.000 0.553 167 H N 2.327 121.073 119.070 -0.541 0.000 2.253 167 H HA -0.108 4.448 4.556 -0.000 0.000 0.296 167 H C 0.516 175.721 175.328 -0.205 0.000 1.067 167 H CA 1.010 56.828 56.048 -0.383 0.000 1.245 167 H CB -1.037 28.421 29.762 -0.507 0.000 1.364 167 H HN 0.258 nan 8.280 nan 0.000 0.494 168 E N 1.480 121.538 120.200 -0.237 0.000 2.465 168 E HA -0.044 4.306 4.350 -0.000 0.000 0.260 168 E C 0.948 177.681 176.600 0.223 0.000 0.980 168 E CA 0.249 56.687 56.400 0.063 0.000 0.927 168 E CB 1.070 30.858 29.700 0.148 0.000 0.934 168 E HN 0.421 nan 8.360 nan 0.000 0.459 169 E N 1.730 122.050 120.200 0.200 0.000 2.276 169 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 169 E C -0.006 176.754 176.600 0.267 0.000 0.983 169 E CA 0.333 56.886 56.400 0.255 0.000 0.861 169 E CB 0.278 30.080 29.700 0.171 0.000 0.817 169 E HN 0.268 nan 8.360 nan 0.000 0.485 170 D N 0.437 120.956 120.400 0.197 0.000 2.845 170 D HA 0.057 4.697 4.640 -0.000 0.000 0.235 170 D C -1.002 175.356 176.300 0.097 0.000 1.158 170 D CA -0.146 53.953 54.000 0.164 0.000 0.990 170 D CB -0.096 40.833 40.800 0.216 0.000 1.094 170 D HN -0.164 nan 8.370 nan 0.000 0.486 171 V N 2.489 122.309 119.914 -0.156 0.000 2.530 171 V HA 0.290 4.410 4.120 -0.000 0.000 0.282 171 V C 1.471 177.359 176.094 -0.343 0.000 1.048 171 V CA 0.008 62.060 62.300 -0.414 0.000 0.997 171 V CB 1.471 32.520 31.823 -1.290 0.000 0.987 171 V HN 0.362 nan 8.190 nan 0.000 0.477 172 R N 2.606 122.984 120.500 -0.204 0.000 2.568 172 R HA 0.484 4.824 4.340 -0.000 0.000 0.254 172 R C 0.139 176.385 176.300 -0.091 0.000 0.925 172 R CA 0.242 56.213 56.100 -0.215 0.000 1.025 172 R CB 1.213 31.231 30.300 -0.470 0.000 1.428 172 R HN 0.653 nan 8.270 nan 0.000 0.573 173 A N 1.706 124.503 122.820 -0.038 0.000 2.381 173 A HA 0.675 4.995 4.320 -0.000 0.000 0.299 173 A C -0.856 176.654 177.584 -0.123 0.000 1.049 173 A CA -0.524 51.521 52.037 0.013 0.000 0.715 173 A CB 1.118 20.224 19.000 0.175 0.000 1.222 173 A HN 0.081 nan 8.150 nan 0.000 0.428 174 I N 2.348 122.841 120.570 -0.128 0.000 2.498 174 I HA 0.472 4.642 4.170 -0.000 0.000 0.290 174 I C -0.914 175.094 176.117 -0.182 0.000 1.032 174 I CA -1.017 60.172 61.300 -0.186 0.000 1.073 174 I CB 2.294 40.208 38.000 -0.143 0.000 1.251 174 I HN 0.316 nan 8.210 nan 0.000 0.426 175 V N 6.754 126.518 119.914 -0.249 0.000 2.409 175 V HA 0.480 4.600 4.120 -0.000 0.000 0.291 175 V C -0.447 175.517 176.094 -0.216 0.000 1.020 175 V CA -0.669 61.484 62.300 -0.245 0.000 0.848 175 V CB 2.283 33.908 31.823 -0.330 0.000 0.990 175 V HN 0.477 nan 8.190 nan 0.000 0.430 176 V N 4.604 124.389 119.914 -0.216 0.000 2.823 176 V HA 0.874 4.994 4.120 -0.000 0.000 0.312 176 V C -0.397 175.606 176.094 -0.152 0.000 1.072 176 V CA 0.100 62.236 62.300 -0.274 0.000 0.937 176 V CB 2.613 34.162 31.823 -0.457 0.000 1.013 176 V HN 0.976 nan 8.190 nan 0.000 0.430 177 T N 2.279 116.679 114.554 -0.257 0.000 2.900 177 T HA 0.446 4.796 4.350 -0.000 0.000 0.303 177 T C -0.492 173.826 174.700 -0.637 0.000 1.142 177 T CA 0.120 61.957 62.100 -0.439 0.000 1.007 177 T CB 1.703 70.410 68.868 -0.269 0.000 1.156 177 T HN 0.934 nan 8.240 nan 0.000 0.490 178 D N 0.686 120.486 120.400 -1.000 0.000 2.395 178 D HA 0.242 4.882 4.640 -0.000 0.000 0.213 178 D C 1.462 177.557 176.300 -0.342 0.000 1.110 178 D CA 0.590 54.256 54.000 -0.557 0.000 0.835 178 D CB -0.337 40.194 40.800 -0.449 0.000 0.965 178 D HN 1.052 nan 8.370 nan 0.000 0.505 179 G N 1.220 109.811 108.800 -0.349 0.000 2.180 179 G HA2 -0.452 3.508 3.960 -0.000 0.000 0.263 179 G HA3 -0.452 3.508 3.960 -0.000 0.000 0.263 179 G C 0.809 175.626 174.900 -0.138 0.000 0.989 179 G CA 0.809 45.799 45.100 -0.183 0.000 0.692 179 G HN 0.525 nan 8.290 nan 0.000 0.526 180 E N -0.284 119.814 120.200 -0.169 0.000 2.107 180 E HA -0.019 4.331 4.350 -0.000 0.000 0.191 180 E C 1.762 178.324 176.600 -0.065 0.000 0.982 180 E CA 0.612 56.954 56.400 -0.096 0.000 0.809 180 E CB 0.017 29.672 29.700 -0.076 0.000 0.756 180 E HN 0.385 nan 8.360 nan 0.000 0.459 181 R N 1.238 121.703 120.500 -0.058 0.000 2.748 181 R HA 0.260 4.600 4.340 -0.000 0.000 0.283 181 R C -0.978 175.309 176.300 -0.022 0.000 1.507 181 R CA -0.336 55.751 56.100 -0.022 0.000 1.666 181 R CB -0.001 30.312 30.300 0.022 0.000 1.237 181 R HN 0.141 nan 8.270 nan 0.000 0.633 182 I N 3.017 123.561 120.570 -0.042 0.000 2.505 182 I HA -0.061 4.109 4.170 -0.000 0.000 0.287 182 I C 0.644 176.731 176.117 -0.051 0.000 1.104 182 I CA -0.347 60.923 61.300 -0.049 0.000 1.387 182 I CB 0.484 38.447 38.000 -0.061 0.000 1.404 182 I HN 0.236 nan 8.210 nan 0.000 0.528 183 L N 7.904 129.099 121.223 -0.046 0.000 2.737 183 L HA 0.005 4.345 4.340 -0.000 0.000 0.279 183 L C 1.234 178.064 176.870 -0.067 0.000 1.200 183 L CA 1.655 56.468 54.840 -0.044 0.000 0.952 183 L CB -0.381 41.656 42.059 -0.038 0.000 1.240 183 L HN 0.924 nan 8.230 nan 0.000 0.486 184 G N 3.198 111.968 108.800 -0.050 0.000 2.253 184 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.251 184 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.251 184 G C 0.607 175.468 174.900 -0.064 0.000 0.998 184 G CA 0.547 45.612 45.100 -0.059 0.000 0.621 184 G HN 0.593 nan 8.290 nan 0.000 0.524 185 L N -0.100 121.083 121.223 -0.067 0.000 2.685 185 L HA 0.629 4.969 4.340 -0.000 0.000 0.235 185 L C 1.828 178.665 176.870 -0.054 0.000 1.070 185 L CA 1.777 56.577 54.840 -0.066 0.000 0.888 185 L CB 0.394 42.406 42.059 -0.079 0.000 1.203 185 L HN 1.483 nan 8.230 nan 0.000 0.499 186 G N -0.409 108.362 108.800 -0.048 0.000 2.475 186 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.223 186 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.223 186 G C -0.918 173.954 174.900 -0.047 0.000 1.201 186 G CA -0.169 44.905 45.100 -0.043 0.000 0.962 186 G HN 0.070 nan 8.290 nan 0.000 0.586 187 D N 1.429 121.798 120.400 -0.052 0.000 2.352 187 D HA 0.443 5.083 4.640 -0.000 0.000 0.245 187 D C 1.361 177.623 176.300 -0.063 0.000 1.224 187 D CA -0.083 53.880 54.000 -0.061 0.000 0.879 187 D CB 0.280 41.039 40.800 -0.069 0.000 1.057 187 D HN 0.397 nan 8.370 nan 0.000 0.491 188 L N 3.159 124.359 121.223 -0.039 0.000 2.808 188 L HA 0.274 4.614 4.340 -0.000 0.000 0.246 188 L C 1.704 178.585 176.870 0.017 0.000 1.153 188 L CA -0.177 54.668 54.840 0.008 0.000 0.956 188 L CB -0.076 42.025 42.059 0.069 0.000 1.270 188 L HN 0.590 nan 8.230 nan 0.000 0.528 189 G N 1.476 110.262 108.800 -0.024 0.000 2.627 189 G HA2 -0.464 3.496 3.960 -0.000 0.000 0.312 189 G HA3 -0.464 3.496 3.960 -0.000 0.000 0.312 189 G C 1.050 176.002 174.900 0.086 0.000 1.299 189 G CA 0.623 45.740 45.100 0.028 0.000 0.989 189 G HN 0.352 nan 8.290 nan 0.000 0.547 190 A N -1.247 121.649 122.820 0.128 0.000 2.131 190 A HA 0.074 4.394 4.320 -0.000 0.000 0.220 190 A C 2.034 179.782 177.584 0.273 0.000 1.158 190 A CA 2.178 54.286 52.037 0.119 0.000 0.665 190 A CB -0.474 18.470 19.000 -0.094 0.000 0.795 190 A HN 0.733 nan 8.150 nan 0.000 0.460 191 Y N -0.751 119.683 120.300 0.223 0.000 2.616 191 Y HA -0.034 4.516 4.550 -0.000 0.000 0.296 191 Y C 2.347 178.306 175.900 0.097 0.000 1.154 191 Y CA -0.125 58.081 58.100 0.177 0.000 1.325 191 Y CB 0.036 38.595 38.460 0.164 0.000 1.007 191 Y HN 0.462 nan 8.280 nan 0.000 0.542 192 G N -0.059 108.858 108.800 0.196 0.000 3.026 192 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.208 192 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.208 192 G C 1.317 176.231 174.900 0.023 0.000 1.169 192 G CA -0.089 45.054 45.100 0.073 0.000 0.788 192 G HN 0.483 nan 8.290 nan 0.000 0.533 193 I N 0.755 121.344 120.570 0.032 0.000 2.700 193 I HA -0.016 4.154 4.170 -0.000 0.000 0.261 193 I C 2.538 178.653 176.117 -0.005 0.000 1.219 193 I CA 1.017 62.272 61.300 -0.076 0.000 1.463 193 I CB 0.112 37.986 38.000 -0.210 0.000 1.092 193 I HN 0.169 nan 8.210 nan 0.000 0.452 194 G N 0.922 109.768 108.800 0.076 0.000 2.443 194 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.219 194 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.219 194 G C 1.494 176.486 174.900 0.153 0.000 1.131 194 G CA 0.325 45.508 45.100 0.138 0.000 0.775 194 G HN 0.298 nan 8.290 nan 0.000 0.547 195 I N 1.866 122.501 120.570 0.109 0.000 2.142 195 I HA -0.073 4.097 4.170 -0.000 0.000 0.240 195 I C -0.022 176.211 176.117 0.194 0.000 1.078 195 I CA 1.139 62.559 61.300 0.200 0.000 1.343 195 I CB -1.789 36.271 38.000 0.101 0.000 1.046 195 I HN 0.084 nan 8.210 nan 0.000 0.405 196 P HA -0.076 nan 4.420 nan 0.000 0.217 196 P C 2.223 179.477 177.300 -0.075 0.000 1.150 196 P CA 0.977 64.030 63.100 -0.078 0.000 0.832 196 P CB 0.075 31.686 31.700 -0.149 0.000 0.787 197 V N 0.003 119.912 119.914 -0.009 0.000 2.295 197 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 197 V C 2.569 178.707 176.094 0.073 0.000 1.049 197 V CA 2.594 64.905 62.300 0.018 0.000 1.024 197 V CB -1.856 29.997 31.823 0.050 0.000 0.648 197 V HN 0.179 nan 8.190 nan 0.000 0.447 198 G N -0.604 108.302 108.800 0.178 0.000 2.408 198 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.217 198 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.217 198 G C 1.600 176.503 174.900 0.005 0.000 1.150 198 G CA 0.989 46.247 45.100 0.263 0.000 0.776 198 G HN 0.450 nan 8.290 nan 0.000 0.542 199 K N -0.270 119.982 120.400 -0.247 0.000 2.057 199 K HA 0.040 4.360 4.320 -0.000 0.000 0.207 199 K C 2.284 178.787 176.600 -0.162 0.000 1.049 199 K CA 0.644 56.637 56.287 -0.489 0.000 0.931 199 K CB -0.398 31.804 32.500 -0.496 0.000 0.714 199 K HN 0.177 nan 8.250 nan 0.000 0.440 200 L N 0.360 121.461 121.223 -0.202 0.000 2.141 200 L HA 0.056 4.396 4.340 -0.000 0.000 0.209 200 L C 2.184 179.114 176.870 0.101 0.000 1.094 200 L CA 1.835 56.548 54.840 -0.213 0.000 0.763 200 L CB -1.372 40.546 42.059 -0.236 0.000 0.908 200 L HN 0.259 nan 8.230 nan 0.000 0.437 201 A N -0.699 122.232 122.820 0.186 0.000 1.940 201 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 201 A C 2.291 180.116 177.584 0.402 0.000 1.176 201 A CA 1.542 53.825 52.037 0.410 0.000 0.631 201 A CB -0.585 18.669 19.000 0.424 0.000 0.814 201 A HN 0.414 nan 8.150 nan 0.000 0.446 202 L N -2.502 118.905 121.223 0.307 0.000 2.179 202 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 202 L C 2.479 179.554 176.870 0.342 0.000 1.096 202 L CA 0.842 55.863 54.840 0.301 0.000 0.779 202 L CB -0.628 41.626 42.059 0.325 0.000 0.922 202 L HN 0.373 nan 8.230 nan 0.000 0.443 203 Y N 0.280 120.704 120.300 0.207 0.000 2.114 203 Y HA -0.263 4.287 4.550 -0.000 0.000 0.282 203 Y C 2.529 178.449 175.900 0.034 0.000 1.165 203 Y CA 1.541 59.745 58.100 0.173 0.000 1.148 203 Y CB -0.741 37.808 38.460 0.149 0.000 0.972 203 Y HN -0.121 nan 8.280 nan 0.000 0.504 204 V N -0.770 119.215 119.914 0.118 0.000 2.283 204 V HA -0.263 3.857 4.120 -0.000 0.000 0.243 204 V C 2.503 178.483 176.094 -0.189 0.000 1.039 204 V CA 1.670 63.839 62.300 -0.218 0.000 1.016 204 V CB -1.478 29.919 31.823 -0.711 0.000 0.650 204 V HN 0.402 nan 8.190 nan 0.000 0.449 205 A N -0.253 122.546 122.820 -0.035 0.000 1.902 205 A HA -0.093 4.226 4.320 -0.000 0.000 0.217 205 A C 2.143 179.748 177.584 0.035 0.000 1.181 205 A CA 1.852 53.940 52.037 0.085 0.000 0.623 205 A CB -0.420 18.713 19.000 0.222 0.000 0.818 205 A HN 0.524 nan 8.150 nan 0.000 0.443 206 L N -2.159 119.076 121.223 0.019 0.000 2.408 206 L HA 0.188 4.528 4.340 -0.000 0.000 0.215 206 L C 2.446 179.283 176.870 -0.056 0.000 1.081 206 L CA 0.669 55.486 54.840 -0.038 0.000 0.840 206 L CB -0.227 41.770 42.059 -0.103 0.000 1.002 206 L HN 0.439 nan 8.230 nan 0.000 0.468 207 G N -1.015 107.761 108.800 -0.040 0.000 2.762 207 G HA2 0.281 4.241 3.960 -0.000 0.000 0.209 207 G HA3 0.281 4.241 3.960 -0.000 0.000 0.209 207 G C 1.248 176.143 174.900 -0.008 0.000 1.134 207 G CA 0.632 45.707 45.100 -0.042 0.000 0.781 207 G HN 0.409 nan 8.290 nan 0.000 0.528 208 G N -0.657 108.138 108.800 -0.008 0.000 2.141 208 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.242 208 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.242 208 G C 0.271 175.162 174.900 -0.016 0.000 0.982 208 G CA 0.078 45.177 45.100 -0.001 0.000 0.662 208 G HN 0.701 nan 8.290 nan 0.000 0.527 209 V N 1.975 121.888 119.914 -0.002 0.000 2.655 209 V HA 0.184 4.304 4.120 -0.000 0.000 0.300 209 V C 1.083 177.036 176.094 -0.235 0.000 1.044 209 V CA -0.122 62.204 62.300 0.044 0.000 1.095 209 V CB 1.408 33.371 31.823 0.234 0.000 0.952 209 V HN 0.431 nan 8.190 nan 0.000 0.485 210 Q N 6.133 125.581 119.800 -0.586 0.000 2.330 210 Q HA 0.067 4.407 4.340 -0.000 0.000 0.279 210 Q C -1.531 174.068 176.000 -0.669 0.000 1.024 210 Q CA -1.281 53.966 55.803 -0.927 0.000 0.900 210 Q CB 0.714 28.288 28.738 -1.939 0.000 1.221 210 Q HN 0.471 nan 8.270 nan 0.000 0.396 211 P HA -0.171 nan 4.420 nan 0.000 0.219 211 P C 0.902 178.099 177.300 -0.172 0.000 1.150 211 P CA 1.443 64.310 63.100 -0.388 0.000 0.814 211 P CB 0.169 31.611 31.700 -0.430 0.000 0.787 212 K N -1.527 118.739 120.400 -0.225 0.000 2.362 212 K HA -0.117 4.203 4.320 -0.000 0.000 0.200 212 K C 1.216 177.905 176.600 0.148 0.000 1.046 212 K CA 1.014 57.283 56.287 -0.031 0.000 0.952 212 K CB -0.789 31.689 32.500 -0.038 0.000 0.753 212 K HN 0.140 nan 8.250 nan 0.000 0.466 213 W N 1.495 122.789 121.300 -0.009 0.000 2.905 213 W HA 0.155 4.815 4.660 0.000 0.000 0.251 213 W C 0.187 176.657 176.519 -0.082 0.000 1.305 213 W CA -1.414 55.906 57.345 -0.042 0.000 1.465 213 W CB -0.897 28.544 29.460 -0.032 0.000 1.122 213 W HN -0.034 nan 8.180 nan 0.000 0.659 214 C N 2.385 121.771 119.300 0.143 0.000 2.435 214 C HA 0.509 4.969 4.460 -0.000 0.000 0.375 214 C C 0.217 175.168 174.990 -0.065 0.000 1.281 214 C CA -0.568 58.453 59.018 0.005 0.000 1.963 214 C CB -0.049 27.681 27.740 -0.017 0.000 2.490 214 C HN -0.025 nan 8.230 nan 0.000 0.557 215 L N 6.802 127.863 121.223 -0.270 0.000 2.457 215 L HA 0.554 4.894 4.340 -0.000 0.000 0.266 215 L C -2.829 173.758 176.870 -0.472 0.000 0.979 215 L CA -1.967 52.539 54.840 -0.556 0.000 0.857 215 L CB 1.309 42.900 42.059 -0.780 0.000 1.213 215 L HN 0.383 nan 8.230 nan 0.000 0.418 216 P HA 0.431 nan 4.420 nan 0.000 0.286 216 P C -1.268 175.815 177.300 -0.363 0.000 1.269 216 P CA -0.241 62.666 63.100 -0.321 0.000 0.787 216 P CB 1.575 33.148 31.700 -0.213 0.000 0.920 217 V N 4.581 124.312 119.914 -0.305 0.000 2.760 217 V HA 0.444 4.564 4.120 -0.000 0.000 0.309 217 V C -0.454 175.440 176.094 -0.333 0.000 1.077 217 V CA -0.688 61.425 62.300 -0.312 0.000 0.910 217 V CB 2.186 33.868 31.823 -0.235 0.000 1.008 217 V HN 0.391 nan 8.190 nan 0.000 0.424 218 L N 5.446 126.454 121.223 -0.358 0.000 2.349 218 L HA 0.645 4.985 4.340 -0.000 0.000 0.278 218 L C -1.104 175.610 176.870 -0.259 0.000 0.996 218 L CA -0.399 54.252 54.840 -0.315 0.000 0.825 218 L CB 1.304 43.181 42.059 -0.303 0.000 1.243 218 L HN 0.571 nan 8.230 nan 0.000 0.412 219 L N 4.547 125.594 121.223 -0.293 0.000 2.278 219 L HA 0.354 4.694 4.340 -0.000 0.000 0.287 219 L C -0.563 176.233 176.870 -0.124 0.000 1.072 219 L CA -0.312 54.382 54.840 -0.243 0.000 0.819 219 L CB 0.880 42.743 42.059 -0.328 0.000 1.176 219 L HN 0.574 nan 8.230 nan 0.000 0.435 220 D N 3.268 123.639 120.400 -0.049 0.000 2.412 220 D HA 0.252 4.892 4.640 -0.000 0.000 0.224 220 D C 0.410 176.721 176.300 0.018 0.000 1.093 220 D CA -0.369 53.625 54.000 -0.011 0.000 0.850 220 D CB 1.792 42.592 40.800 0.000 0.000 1.046 220 D HN 0.285 nan 8.370 nan 0.000 0.507 221 V N 1.647 121.598 119.914 0.062 0.000 3.276 221 V HA 0.697 4.817 4.120 -0.000 0.000 0.319 221 V C 0.807 177.026 176.094 0.208 0.000 1.427 221 V CA 0.474 62.868 62.300 0.157 0.000 1.102 221 V CB -0.287 31.679 31.823 0.238 0.000 1.020 221 V HN 0.686 nan 8.190 nan 0.000 0.456 222 G N -0.230 108.593 108.800 0.038 0.000 2.434 222 G HA2 0.285 4.245 3.960 -0.000 0.000 0.671 222 G HA3 0.285 4.245 3.960 -0.000 0.000 0.671 222 G C -0.492 174.403 174.900 -0.009 0.000 1.280 222 G CA -0.010 45.045 45.100 -0.074 0.000 0.975 222 G HN 1.183 nan 8.290 nan 0.000 0.510 223 T N -0.937 113.602 114.554 -0.025 0.000 2.982 223 T HA 0.588 4.938 4.350 -0.000 0.000 0.321 223 T C 0.193 174.852 174.700 -0.068 0.000 1.229 223 T CA -0.135 61.926 62.100 -0.064 0.000 1.044 223 T CB 1.480 70.254 68.868 -0.156 0.000 1.184 223 T HN 0.516 nan 8.240 nan 0.000 0.477 224 N N 2.649 121.309 118.700 -0.067 0.000 2.280 224 N HA 0.080 4.820 4.740 -0.000 0.000 0.192 224 N C 0.276 175.735 175.510 -0.086 0.000 1.109 224 N CA -0.045 52.969 53.050 -0.059 0.000 0.855 224 N CB 0.021 38.482 38.487 -0.043 0.000 0.974 224 N HN 0.533 nan 8.380 nan 0.000 0.482 225 N N 1.970 120.593 118.700 -0.129 0.000 2.416 225 N HA -0.013 4.727 4.740 -0.000 0.000 0.271 225 N C 1.057 176.472 175.510 -0.158 0.000 1.245 225 N CA -0.007 52.957 53.050 -0.144 0.000 0.940 225 N CB 0.492 38.864 38.487 -0.191 0.000 1.175 225 N HN -0.054 nan 8.380 nan 0.000 0.483 226 M N 1.852 121.389 119.600 -0.105 0.000 2.213 226 M HA -0.125 4.355 4.480 -0.000 0.000 0.263 226 M C 0.994 177.237 176.300 -0.095 0.000 1.062 226 M CA 1.117 56.365 55.300 -0.087 0.000 1.105 226 M CB -0.576 31.991 32.600 -0.055 0.000 1.385 226 M HN 0.483 nan 8.290 nan 0.000 0.417 227 D N 0.406 120.748 120.400 -0.096 0.000 2.117 227 D HA -0.103 4.537 4.640 -0.000 0.000 0.197 227 D C 2.255 178.488 176.300 -0.113 0.000 0.987 227 D CA 1.132 55.085 54.000 -0.078 0.000 0.829 227 D CB -0.151 40.612 40.800 -0.062 0.000 0.961 227 D HN 0.350 nan 8.370 nan 0.000 0.460 228 L N 0.473 121.556 121.223 -0.234 0.000 2.027 228 L HA -0.116 4.224 4.340 -0.000 0.000 0.206 228 L C 2.660 179.298 176.870 -0.387 0.000 1.074 228 L CA 0.589 55.159 54.840 -0.449 0.000 0.745 228 L CB -0.429 41.043 42.059 -0.977 0.000 0.898 228 L HN 0.009 nan 8.230 nan 0.000 0.433 229 L N 0.018 121.060 121.223 -0.301 0.000 2.127 229 L HA -0.206 4.134 4.340 -0.000 0.000 0.211 229 L C 1.933 178.784 176.870 -0.033 0.000 1.089 229 L CA 0.987 55.750 54.840 -0.128 0.000 0.757 229 L CB -0.504 41.500 42.059 -0.091 0.000 0.899 229 L HN 0.422 nan 8.230 nan 0.000 0.434 230 N N -0.899 117.780 118.700 -0.035 0.000 2.373 230 N HA -0.043 4.696 4.740 -0.000 0.000 0.181 230 N C 0.232 175.771 175.510 0.048 0.000 1.082 230 N CA 0.293 53.348 53.050 0.008 0.000 0.885 230 N CB -0.055 38.431 38.487 -0.002 0.000 0.977 230 N HN 0.205 nan 8.380 nan 0.000 0.462 231 D N 2.528 122.966 120.400 0.063 0.000 2.352 231 D HA 0.089 4.729 4.640 -0.000 0.000 0.245 231 D C -1.378 175.059 176.300 0.228 0.000 1.224 231 D CA -2.078 52.014 54.000 0.154 0.000 0.879 231 D CB 1.272 42.169 40.800 0.161 0.000 1.057 231 D HN 0.049 nan 8.370 nan 0.000 0.491 232 P HA -0.141 nan 4.420 nan 0.000 0.226 232 P C 0.730 178.080 177.300 0.084 0.000 1.146 232 P CA 0.735 63.923 63.100 0.146 0.000 0.773 232 P CB 0.005 31.778 31.700 0.122 0.000 0.772 233 F N -2.264 117.758 119.950 0.120 0.000 2.749 233 F HA 0.179 4.706 4.527 -0.000 0.000 0.300 233 F C 1.448 177.378 175.800 0.216 0.000 1.103 233 F CA -0.868 57.220 58.000 0.146 0.000 1.342 233 F CB -0.845 38.248 39.000 0.156 0.000 1.098 233 F HN -0.154 nan 8.300 nan 0.000 0.586 234 Y N 1.687 122.107 120.300 0.200 0.000 2.597 234 Y HA 0.180 4.730 4.550 -0.000 0.000 0.336 234 Y C 0.963 176.822 175.900 -0.068 0.000 1.216 234 Y CA -0.432 57.681 58.100 0.022 0.000 1.463 234 Y CB 0.609 39.002 38.460 -0.111 0.000 1.303 234 Y HN 0.076 nan 8.280 nan 0.000 0.576 235 I N 2.496 122.564 120.570 -0.837 0.000 3.833 235 I HA 0.504 4.674 4.170 -0.000 0.000 0.328 235 I C 0.431 176.015 176.117 -0.887 0.000 1.554 235 I CA -0.237 60.648 61.300 -0.691 0.000 1.116 235 I CB 0.222 37.962 38.000 -0.432 0.000 1.182 235 I HN 0.518 nan 8.210 nan 0.000 0.459 236 G N 0.805 108.697 108.800 -1.515 0.000 2.601 236 G HA2 0.583 4.543 3.960 -0.000 0.000 0.317 236 G HA3 0.583 4.543 3.960 -0.000 0.000 0.317 236 G C -0.578 174.009 174.900 -0.521 0.000 1.246 236 G CA -0.807 43.777 45.100 -0.860 0.000 1.012 236 G HN 0.028 nan 8.290 nan 0.000 0.494 237 L N 0.581 121.620 121.223 -0.307 0.000 2.559 237 L HA 0.119 4.459 4.340 -0.000 0.000 0.274 237 L C 1.329 178.020 176.870 -0.299 0.000 1.205 237 L CA 0.511 55.151 54.840 -0.334 0.000 0.907 237 L CB 0.521 42.293 42.059 -0.478 0.000 1.153 237 L HN 0.588 nan 8.230 nan 0.000 0.490 238 R N 4.329 124.721 120.500 -0.179 0.000 4.138 238 R HA 0.185 4.525 4.340 -0.000 0.000 0.206 238 R C -0.929 175.374 176.300 0.006 0.000 1.667 238 R CA -0.218 55.865 56.100 -0.027 0.000 1.481 238 R CB -0.470 29.848 30.300 0.030 0.000 1.388 238 R HN 0.835 nan 8.270 nan 0.000 0.776 239 H N -1.560 117.537 119.070 0.044 0.000 3.024 239 H HA 0.299 4.855 4.556 -0.000 0.000 0.324 239 H C -1.256 174.078 175.328 0.010 0.000 1.347 239 H CA -1.196 54.862 56.048 0.018 0.000 1.182 239 H CB 0.314 30.085 29.762 0.014 0.000 1.889 239 H HN -0.139 nan 8.280 nan 0.000 0.528 240 K N 1.286 121.826 120.400 0.234 0.000 2.344 240 K HA 0.117 4.437 4.320 -0.000 0.000 0.260 240 K C 0.162 176.896 176.600 0.223 0.000 0.988 240 K CA -0.208 56.165 56.287 0.142 0.000 0.909 240 K CB 0.401 32.941 32.500 0.065 0.000 0.968 240 K HN 0.678 nan 8.250 nan 0.000 0.505 241 R N 0.439 121.005 120.500 0.110 0.000 2.590 241 R HA 0.083 4.423 4.340 -0.000 0.000 0.274 241 R C -0.155 176.197 176.300 0.087 0.000 1.061 241 R CA -0.298 55.867 56.100 0.107 0.000 1.081 241 R CB 0.377 30.696 30.300 0.031 0.000 0.984 241 R HN 0.196 nan 8.270 nan 0.000 0.448 242 V N 4.309 124.299 119.914 0.127 0.000 2.465 242 V HA 0.206 4.326 4.120 -0.000 0.000 0.279 242 V C 1.063 177.208 176.094 0.086 0.000 1.045 242 V CA -0.046 62.312 62.300 0.098 0.000 0.938 242 V CB 1.408 33.310 31.823 0.132 0.000 0.986 242 V HN 0.825 nan 8.190 nan 0.000 0.467 243 R N 2.434 122.947 120.500 0.023 0.000 2.556 243 R HA 0.249 4.589 4.340 -0.000 0.000 0.276 243 R C 1.308 177.625 176.300 0.029 0.000 0.931 243 R CA 0.290 56.352 56.100 -0.063 0.000 1.061 243 R CB 0.828 31.047 30.300 -0.135 0.000 1.432 243 R HN 0.805 nan 8.270 nan 0.000 0.547 244 G N 1.667 110.503 108.800 0.060 0.000 2.313 244 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.283 244 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.283 244 G C 0.603 175.568 174.900 0.109 0.000 1.476 244 G CA -0.095 45.044 45.100 0.065 0.000 1.054 244 G HN 0.060 nan 8.290 nan 0.000 0.550 245 K N -0.243 120.209 120.400 0.087 0.000 2.148 245 K HA -0.054 4.266 4.320 -0.000 0.000 0.204 245 K C 2.037 178.707 176.600 0.117 0.000 1.050 245 K CA 1.219 57.563 56.287 0.095 0.000 0.942 245 K CB -0.075 32.464 32.500 0.065 0.000 0.724 245 K HN 0.273 nan 8.250 nan 0.000 0.446 246 D N 0.327 120.793 120.400 0.111 0.000 2.149 246 D HA -0.200 4.440 4.640 -0.000 0.000 0.198 246 D C 1.650 178.037 176.300 0.146 0.000 0.990 246 D CA 1.116 55.181 54.000 0.107 0.000 0.839 246 D CB -0.273 40.579 40.800 0.087 0.000 0.948 246 D HN 0.234 nan 8.370 nan 0.000 0.460 247 Y N 1.642 121.983 120.300 0.067 0.000 2.133 247 Y HA -0.187 4.363 4.550 -0.000 0.000 0.287 247 Y C 1.632 177.601 175.900 0.114 0.000 1.134 247 Y CA 1.861 60.014 58.100 0.089 0.000 1.133 247 Y CB -0.255 38.258 38.460 0.088 0.000 0.987 247 Y HN -0.158 nan 8.280 nan 0.000 0.502 248 D N -0.791 119.794 120.400 0.308 0.000 2.158 248 D HA -0.186 4.454 4.640 -0.000 0.000 0.197 248 D C 2.037 178.417 176.300 0.133 0.000 0.995 248 D CA 2.165 56.294 54.000 0.216 0.000 0.846 248 D CB -0.286 40.630 40.800 0.193 0.000 0.941 248 D HN 0.358 nan 8.370 nan 0.000 0.456 249 T N 0.330 114.949 114.554 0.108 0.000 2.857 249 T HA -0.082 4.268 4.350 -0.000 0.000 0.266 249 T C 1.782 176.522 174.700 0.067 0.000 1.048 249 T CA 0.331 62.485 62.100 0.089 0.000 1.139 249 T CB -0.247 68.665 68.868 0.075 0.000 0.874 249 T HN 0.044 nan 8.240 nan 0.000 0.455 250 L N 1.064 122.301 121.223 0.023 0.000 2.046 250 L HA 0.013 4.353 4.340 -0.000 0.000 0.208 250 L C 2.039 178.915 176.870 0.009 0.000 1.077 250 L CA 1.523 56.359 54.840 -0.007 0.000 0.747 250 L CB -0.700 41.313 42.059 -0.078 0.000 0.896 250 L HN 0.165 nan 8.230 nan 0.000 0.432 251 L N -0.663 120.545 121.223 -0.025 0.000 2.093 251 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 251 L C 2.225 179.218 176.870 0.204 0.000 1.085 251 L CA 1.509 56.415 54.840 0.109 0.000 0.755 251 L CB -1.419 40.739 42.059 0.165 0.000 0.904 251 L HN 0.354 nan 8.230 nan 0.000 0.435 252 D N -0.201 120.320 120.400 0.202 0.000 2.117 252 D HA -0.150 4.490 4.640 -0.000 0.000 0.198 252 D C 1.855 178.201 176.300 0.077 0.000 0.982 252 D CA 0.854 54.962 54.000 0.180 0.000 0.828 252 D CB -0.089 40.828 40.800 0.195 0.000 0.967 252 D HN 0.263 nan 8.370 nan 0.000 0.464 253 N N 0.300 119.050 118.700 0.084 0.000 2.223 253 N HA -0.135 4.605 4.740 -0.000 0.000 0.185 253 N C 1.645 177.182 175.510 0.046 0.000 1.016 253 N CA 0.286 53.372 53.050 0.060 0.000 0.863 253 N CB -0.454 38.074 38.487 0.067 0.000 0.983 253 N HN 0.189 nan 8.380 nan 0.000 0.429 254 F N 1.730 121.629 119.950 -0.084 0.000 2.113 254 F HA -0.077 4.450 4.527 -0.000 0.000 0.297 254 F C 2.116 177.796 175.800 -0.200 0.000 1.103 254 F CA 1.202 59.126 58.000 -0.126 0.000 1.248 254 F CB -0.171 38.744 39.000 -0.142 0.000 0.999 254 F HN -0.126 nan 8.300 nan 0.000 0.475 255 M N 0.446 119.788 119.600 -0.429 0.000 2.159 255 M HA -0.171 4.309 4.480 -0.000 0.000 0.263 255 M C 2.067 178.038 176.300 -0.548 0.000 1.063 255 M CA 1.551 56.364 55.300 -0.811 0.000 1.110 255 M CB -1.296 30.566 32.600 -1.230 0.000 1.374 255 M HN 0.169 nan 8.290 nan 0.000 0.411 256 K N 0.231 120.494 120.400 -0.228 0.000 2.002 256 K HA -0.049 4.271 4.320 -0.000 0.000 0.209 256 K C 2.174 178.728 176.600 -0.076 0.000 1.048 256 K CA 1.517 57.776 56.287 -0.047 0.000 0.930 256 K CB -0.276 32.236 32.500 0.019 0.000 0.714 256 K HN 0.288 nan 8.250 nan 0.000 0.438 257 A N 0.975 123.734 122.820 -0.103 0.000 1.902 257 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 257 A C 2.424 179.919 177.584 -0.148 0.000 1.181 257 A CA 1.608 53.618 52.037 -0.044 0.000 0.623 257 A CB -1.045 17.949 19.000 -0.010 0.000 0.818 257 A HN 0.438 nan 8.150 nan 0.000 0.443 258 C N -0.431 118.665 119.300 -0.339 0.000 2.432 258 C HA -0.101 4.359 4.460 -0.000 0.000 0.277 258 C C 3.226 178.118 174.990 -0.163 0.000 1.249 258 C CA 1.691 60.517 59.018 -0.321 0.000 1.725 258 C CB -1.505 25.905 27.740 -0.549 0.000 2.028 258 C HN 0.796 nan 8.230 nan 0.000 0.477 259 T N -0.538 113.936 114.554 -0.133 0.000 2.904 259 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 259 T C 1.724 176.426 174.700 0.003 0.000 1.059 259 T CA 1.462 63.556 62.100 -0.010 0.000 1.137 259 T CB -0.280 68.645 68.868 0.095 0.000 0.879 259 T HN 0.632 nan 8.240 nan 0.000 0.467 260 K N 1.034 121.434 120.400 -0.000 0.000 2.103 260 K HA -0.045 4.275 4.320 -0.000 0.000 0.204 260 K C 2.400 179.042 176.600 0.071 0.000 1.052 260 K CA 1.088 57.403 56.287 0.046 0.000 0.945 260 K CB -0.057 32.480 32.500 0.062 0.000 0.722 260 K HN 0.212 nan 8.250 nan 0.000 0.443 261 K N -0.117 120.238 120.400 -0.074 0.000 2.007 261 K HA -0.106 4.214 4.320 -0.000 0.000 0.206 261 K C 1.284 177.572 176.600 -0.520 0.000 1.047 261 K CA 1.677 57.699 56.287 -0.441 0.000 0.937 261 K CB -0.116 31.734 32.500 -1.083 0.000 0.718 261 K HN 0.261 nan 8.250 nan 0.000 0.438 262 Y N -0.913 119.354 120.300 -0.054 0.000 2.444 262 Y HA 0.371 4.921 4.550 -0.000 0.000 0.249 262 Y C 0.641 176.520 175.900 -0.035 0.000 1.134 262 Y CA -0.140 57.930 58.100 -0.049 0.000 1.261 262 Y CB 1.237 39.649 38.460 -0.080 0.000 1.143 262 Y HN 0.213 nan 8.280 nan 0.000 0.523 263 G N 0.778 109.623 108.800 0.075 0.000 2.539 263 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.686 263 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.686 263 G C -0.262 174.670 174.900 0.052 0.000 1.258 263 G CA -0.389 44.742 45.100 0.052 0.000 0.846 263 G HN 0.033 nan 8.290 nan 0.000 0.647 264 Q N 0.374 120.200 119.800 0.044 0.000 2.291 264 Q HA -0.037 4.303 4.340 -0.000 0.000 0.205 264 Q C 2.436 178.459 176.000 0.038 0.000 0.970 264 Q CA 2.504 58.342 55.803 0.058 0.000 0.876 264 Q CB -0.160 28.593 28.738 0.027 0.000 0.935 264 Q HN 0.787 nan 8.270 nan 0.000 0.455 265 K N -1.184 119.222 120.400 0.010 0.000 2.439 265 K HA 0.024 4.344 4.320 -0.000 0.000 0.197 265 K C -0.128 176.467 176.600 -0.007 0.000 1.041 265 K CA 0.713 56.991 56.287 -0.015 0.000 0.970 265 K CB -0.246 32.231 32.500 -0.038 0.000 0.773 265 K HN -0.061 nan 8.250 nan 0.000 0.479 266 T N 3.097 117.659 114.554 0.013 0.000 2.831 266 T HA 0.044 4.394 4.350 -0.000 0.000 0.291 266 T C -0.156 174.561 174.700 0.028 0.000 0.981 266 T CA -0.312 61.789 62.100 0.002 0.000 1.174 266 T CB 0.419 69.298 68.868 0.018 0.000 0.929 266 T HN 0.194 nan 8.240 nan 0.000 0.532 267 L N 5.871 127.119 121.223 0.041 0.000 2.360 267 L HA 0.484 4.824 4.340 -0.000 0.000 0.276 267 L C -0.628 176.294 176.870 0.087 0.000 1.121 267 L CA 0.068 54.980 54.840 0.119 0.000 0.845 267 L CB -0.021 42.155 42.059 0.196 0.000 1.143 267 L HN 0.588 nan 8.230 nan 0.000 0.452 268 I N 5.621 126.259 120.570 0.113 0.000 2.439 268 I HA 0.333 4.503 4.170 -0.000 0.000 0.283 268 I C -0.503 175.702 176.117 0.147 0.000 1.023 268 I CA -0.420 60.931 61.300 0.085 0.000 1.100 268 I CB 1.414 39.451 38.000 0.062 0.000 1.238 268 I HN 0.595 nan 8.210 nan 0.000 0.445 269 Q N 5.916 125.724 119.800 0.013 0.000 2.293 269 Q HA 0.459 4.799 4.340 -0.000 0.000 0.261 269 Q C -1.583 174.438 176.000 0.034 0.000 0.960 269 Q CA -0.654 55.054 55.803 -0.159 0.000 0.882 269 Q CB 1.806 30.269 28.738 -0.457 0.000 1.275 269 Q HN 0.382 nan 8.270 nan 0.000 0.445 270 F N 2.172 122.006 119.950 -0.194 0.000 2.394 270 F HA 0.360 4.887 4.527 -0.000 0.000 0.340 270 F C 0.385 176.206 175.800 0.035 0.000 1.105 270 F CA -0.533 57.438 58.000 -0.049 0.000 1.124 270 F CB 1.431 40.281 39.000 -0.249 0.000 1.145 270 F HN 0.528 nan 8.300 nan 0.000 0.505 271 E N 1.003 121.411 120.200 0.346 0.000 2.331 271 E HA 0.343 4.693 4.350 -0.000 0.000 0.275 271 E C -1.276 175.482 176.600 0.264 0.000 0.895 271 E CA -0.498 56.041 56.400 0.231 0.000 0.753 271 E CB 1.095 30.840 29.700 0.074 0.000 1.216 271 E HN 0.483 nan 8.360 nan 0.000 0.434 272 D N 2.062 122.585 120.400 0.205 0.000 2.708 272 D HA -0.222 4.418 4.640 -0.000 0.000 0.236 272 D C -0.974 175.369 176.300 0.071 0.000 1.146 272 D CA 0.998 55.065 54.000 0.113 0.000 0.662 272 D CB -1.177 39.635 40.800 0.020 0.000 1.059 272 D HN 0.225 nan 8.370 nan 0.000 0.428 273 F N 0.338 120.340 119.950 0.086 0.000 2.377 273 F HA 0.569 5.096 4.527 -0.000 0.000 0.328 273 F C 1.340 177.187 175.800 0.079 0.000 1.094 273 F CA -0.564 57.500 58.000 0.107 0.000 1.093 273 F CB 0.779 39.894 39.000 0.191 0.000 1.214 273 F HN 0.018 nan 8.300 nan 0.000 0.518 274 A N 2.554 125.500 122.820 0.210 0.000 2.555 274 A HA 0.020 4.340 4.320 -0.000 0.000 0.233 274 A C 1.285 178.965 177.584 0.159 0.000 1.060 274 A CA -0.331 51.780 52.037 0.123 0.000 0.759 274 A CB -0.021 19.018 19.000 0.066 0.000 0.995 274 A HN 0.852 nan 8.150 nan 0.000 0.506 275 N N 1.953 120.715 118.700 0.104 0.000 2.094 275 N HA -0.133 4.607 4.740 -0.000 0.000 0.191 275 N C -1.027 174.548 175.510 0.108 0.000 1.023 275 N CA 2.148 55.259 53.050 0.101 0.000 0.857 275 N CB -1.539 36.979 38.487 0.051 0.000 1.013 275 N HN 0.517 nan 8.380 nan 0.000 0.426 276 P HA -0.006 nan 4.420 nan 0.000 0.215 276 P C 1.018 178.387 177.300 0.115 0.000 1.157 276 P CA 1.090 64.231 63.100 0.070 0.000 0.863 276 P CB 0.075 31.788 31.700 0.022 0.000 0.787 277 N N -0.463 118.313 118.700 0.127 0.000 2.188 277 N HA -0.089 4.651 4.740 -0.000 0.000 0.184 277 N C 1.722 177.304 175.510 0.120 0.000 1.018 277 N CA 1.411 54.561 53.050 0.166 0.000 0.858 277 N CB -0.984 37.684 38.487 0.302 0.000 0.989 277 N HN 0.040 nan 8.380 nan 0.000 0.426 278 A N 0.761 123.681 122.820 0.166 0.000 1.865 278 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 278 A C 2.142 179.723 177.584 -0.005 0.000 1.191 278 A CA 1.194 53.280 52.037 0.081 0.000 0.623 278 A CB -1.030 18.078 19.000 0.180 0.000 0.826 278 A HN 0.298 nan 8.150 nan 0.000 0.444 279 F N 0.092 120.011 119.950 -0.052 0.000 2.163 279 F HA -0.067 4.460 4.527 -0.000 0.000 0.297 279 F C 2.413 178.146 175.800 -0.111 0.000 1.094 279 F CA 1.848 59.802 58.000 -0.076 0.000 1.290 279 F CB -0.212 38.756 39.000 -0.054 0.000 1.017 279 F HN 0.185 nan 8.300 nan 0.000 0.483 280 R N 0.463 120.992 120.500 0.048 0.000 2.083 280 R HA -0.167 4.173 4.340 -0.000 0.000 0.237 280 R C 2.251 178.382 176.300 -0.282 0.000 1.137 280 R CA 2.086 58.146 56.100 -0.066 0.000 0.951 280 R CB -0.603 29.708 30.300 0.018 0.000 0.851 280 R HN 0.396 nan 8.270 nan 0.000 0.434 281 L N 0.758 121.796 121.223 -0.307 0.000 2.083 281 L HA -0.191 4.148 4.340 -0.000 0.000 0.209 281 L C 2.507 178.999 176.870 -0.630 0.000 1.083 281 L CA 0.570 55.087 54.840 -0.539 0.000 0.752 281 L CB -0.518 41.270 42.059 -0.452 0.000 0.899 281 L HN 0.292 nan 8.230 nan 0.000 0.433 282 L N 0.152 121.057 121.223 -0.530 0.000 2.017 282 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 282 L C 2.082 178.714 176.870 -0.398 0.000 1.073 282 L CA 1.975 56.549 54.840 -0.444 0.000 0.745 282 L CB -0.742 41.078 42.059 -0.399 0.000 0.894 282 L HN 0.172 nan 8.230 nan 0.000 0.432 283 D N -0.449 119.642 120.400 -0.515 0.000 2.144 283 D HA -0.243 4.397 4.640 -0.000 0.000 0.199 283 D C 2.225 178.354 176.300 -0.285 0.000 0.984 283 D CA 1.366 55.114 54.000 -0.420 0.000 0.834 283 D CB 0.013 40.530 40.800 -0.471 0.000 0.955 283 D HN 0.443 nan 8.370 nan 0.000 0.465 284 K N -1.228 118.957 120.400 -0.360 0.000 2.103 284 K HA -0.104 4.216 4.320 -0.000 0.000 0.204 284 K C 1.793 178.262 176.600 -0.217 0.000 1.052 284 K CA 0.916 56.988 56.287 -0.358 0.000 0.945 284 K CB -0.086 32.066 32.500 -0.580 0.000 0.722 284 K HN 0.297 nan 8.250 nan 0.000 0.443 285 Y N -0.116 120.140 120.300 -0.073 0.000 2.509 285 Y HA 0.046 4.596 4.550 -0.000 0.000 0.270 285 Y C 2.385 178.316 175.900 0.052 0.000 1.103 285 Y CA -0.281 57.853 58.100 0.057 0.000 1.278 285 Y CB 0.254 38.732 38.460 0.030 0.000 1.087 285 Y HN 0.157 nan 8.280 nan 0.000 0.542 286 Q N 0.926 120.780 119.800 0.090 0.000 2.142 286 Q HA -0.261 4.079 4.340 -0.000 0.000 0.213 286 Q C 0.589 176.594 176.000 0.010 0.000 1.004 286 Q CA 2.210 58.050 55.803 0.062 0.000 0.883 286 Q CB -0.019 28.701 28.738 -0.031 0.000 0.939 286 Q HN 0.458 nan 8.270 nan 0.000 0.413 287 D N -1.390 118.927 120.400 -0.139 0.000 2.363 287 D HA 0.031 4.671 4.640 -0.000 0.000 0.214 287 D C 0.876 176.856 176.300 -0.533 0.000 1.093 287 D CA 0.232 53.947 54.000 -0.476 0.000 0.837 287 D CB 0.388 41.001 40.800 -0.312 0.000 0.948 287 D HN 0.229 nan 8.370 nan 0.000 0.507 288 K N -0.419 119.875 120.400 -0.175 0.000 2.399 288 K HA 0.060 4.380 4.320 -0.000 0.000 0.196 288 K C -0.372 176.044 176.600 -0.307 0.000 1.103 288 K CA 0.154 56.310 56.287 -0.218 0.000 0.986 288 K CB 0.908 33.275 32.500 -0.221 0.000 0.952 288 K HN -0.072 nan 8.250 nan 0.000 0.541 289 Y N -0.727 119.734 120.300 0.269 0.000 2.638 289 Y HA 0.235 4.785 4.550 -0.000 0.000 0.339 289 Y C -0.460 175.602 175.900 0.271 0.000 1.084 289 Y CA -1.168 57.057 58.100 0.208 0.000 1.068 289 Y CB 1.994 40.495 38.460 0.068 0.000 1.294 289 Y HN -0.335 nan 8.280 nan 0.000 0.480 290 T N 4.216 118.953 114.554 0.305 0.000 3.185 290 T HA 0.303 4.653 4.350 -0.000 0.000 0.287 290 T C -0.455 174.414 174.700 0.281 0.000 1.051 290 T CA 0.045 62.269 62.100 0.208 0.000 1.051 290 T CB -0.611 68.317 68.868 0.099 0.000 1.034 290 T HN 0.337 nan 8.240 nan 0.000 0.685 291 M N 4.341 124.147 119.600 0.343 0.000 2.575 291 M HA 0.742 5.222 4.480 -0.000 0.000 0.284 291 M C -2.033 174.532 176.300 0.441 0.000 1.253 291 M CA -1.245 54.258 55.300 0.337 0.000 0.861 291 M CB 2.327 35.083 32.600 0.260 0.000 1.733 291 M HN 0.489 nan 8.290 nan 0.000 0.462 292 F N 1.024 121.089 119.950 0.191 0.000 2.807 292 F HA 0.570 5.097 4.527 -0.000 0.000 0.316 292 F C -2.029 173.868 175.800 0.162 0.000 1.162 292 F CA -0.899 57.211 58.000 0.183 0.000 0.910 292 F CB 1.176 40.390 39.000 0.357 0.000 1.314 292 F HN 0.613 nan 8.300 nan 0.000 0.454 293 N N 1.684 120.523 118.700 0.233 0.000 2.448 293 N HA 0.176 4.916 4.740 -0.000 0.000 0.279 293 N C -0.533 175.101 175.510 0.207 0.000 1.025 293 N CA -0.191 52.905 53.050 0.077 0.000 0.898 293 N CB 1.851 40.354 38.487 0.027 0.000 1.303 293 N HN 0.959 nan 8.380 nan 0.000 0.495 294 D N 2.381 122.864 120.400 0.139 0.000 2.117 294 D HA -0.117 4.523 4.640 -0.000 0.000 0.197 294 D C 0.806 177.214 176.300 0.179 0.000 0.987 294 D CA 1.395 55.553 54.000 0.263 0.000 0.829 294 D CB 0.388 41.267 40.800 0.132 0.000 0.961 294 D HN 0.538 nan 8.370 nan 0.000 0.460 295 D N -0.252 120.231 120.400 0.138 0.000 2.149 295 D HA -0.149 4.491 4.640 -0.000 0.000 0.198 295 D C 2.143 178.505 176.300 0.102 0.000 0.990 295 D CA 0.817 54.893 54.000 0.127 0.000 0.839 295 D CB 0.095 40.974 40.800 0.131 0.000 0.948 295 D HN 0.412 nan 8.370 nan 0.000 0.460 296 I N 0.383 121.003 120.570 0.083 0.000 2.368 296 I HA -0.179 3.991 4.170 -0.000 0.000 0.238 296 I C 2.463 178.559 176.117 -0.035 0.000 1.076 296 I CA 0.611 61.940 61.300 0.047 0.000 1.397 296 I CB -0.169 37.862 38.000 0.051 0.000 1.141 296 I HN -0.167 nan 8.210 nan 0.000 0.430 297 Q N 0.745 120.465 119.800 -0.133 0.000 2.096 297 Q HA -0.039 4.301 4.340 -0.000 0.000 0.197 297 Q C 2.264 178.013 176.000 -0.419 0.000 0.964 297 Q CA 1.430 56.938 55.803 -0.491 0.000 0.838 297 Q CB -0.326 27.792 28.738 -1.032 0.000 0.906 297 Q HN 0.595 nan 8.270 nan 0.000 0.444 298 G N 0.223 108.991 108.800 -0.053 0.000 2.418 298 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 298 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 298 G C 1.377 176.372 174.900 0.158 0.000 1.158 298 G CA 1.323 46.533 45.100 0.184 0.000 0.771 298 G HN 0.244 nan 8.290 nan 0.000 0.545 299 T N 1.730 116.358 114.554 0.123 0.000 2.674 299 T HA 0.010 4.360 4.350 -0.000 0.000 0.265 299 T C 2.849 177.620 174.700 0.118 0.000 1.039 299 T CA 1.590 63.770 62.100 0.132 0.000 1.150 299 T CB -0.463 68.474 68.868 0.116 0.000 0.864 299 T HN 0.355 nan 8.240 nan 0.000 0.427 300 A N 1.025 123.878 122.820 0.055 0.000 1.940 300 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 300 A C 2.564 180.192 177.584 0.074 0.000 1.176 300 A CA 2.234 54.300 52.037 0.049 0.000 0.631 300 A CB -1.021 17.967 19.000 -0.021 0.000 0.814 300 A HN 0.466 nan 8.150 nan 0.000 0.446 301 S N -1.029 114.705 115.700 0.057 0.000 2.355 301 S HA -0.109 4.361 4.470 -0.000 0.000 0.222 301 S C 1.928 176.646 174.600 0.195 0.000 1.031 301 S CA 1.509 59.788 58.200 0.131 0.000 0.993 301 S CB -0.494 62.828 63.200 0.204 0.000 0.859 301 S HN 0.511 nan 8.310 nan 0.000 0.453 302 V N 1.658 121.707 119.914 0.226 0.000 2.759 302 V HA -0.023 4.097 4.120 -0.000 0.000 0.256 302 V C 1.935 178.255 176.094 0.378 0.000 1.080 302 V CA 1.284 63.759 62.300 0.292 0.000 1.101 302 V CB -0.502 31.476 31.823 0.257 0.000 0.698 302 V HN 0.513 nan 8.190 nan 0.000 0.477 303 I N -0.697 120.062 120.570 0.315 0.000 2.400 303 I HA -0.048 4.122 4.170 -0.000 0.000 0.248 303 I C 2.507 178.804 176.117 0.300 0.000 1.109 303 I CA 1.252 62.788 61.300 0.393 0.000 1.425 303 I CB -1.055 37.143 38.000 0.330 0.000 1.094 303 I HN 0.158 nan 8.210 nan 0.000 0.425 304 V N 1.660 121.686 119.914 0.187 0.000 2.469 304 V HA -0.249 3.871 4.120 -0.000 0.000 0.251 304 V C 2.794 178.959 176.094 0.118 0.000 1.064 304 V CA 1.697 64.063 62.300 0.109 0.000 1.066 304 V CB -0.978 30.894 31.823 0.082 0.000 0.667 304 V HN 0.437 nan 8.190 nan 0.000 0.461 305 A N 0.263 123.182 122.820 0.165 0.000 1.933 305 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 305 A C 2.393 179.989 177.584 0.020 0.000 1.175 305 A CA 1.805 53.914 52.037 0.120 0.000 0.628 305 A CB -0.972 18.142 19.000 0.190 0.000 0.814 305 A HN 0.526 nan 8.150 nan 0.000 0.444 306 G N -0.240 108.604 108.800 0.073 0.000 2.394 306 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.215 306 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.215 306 G C 1.502 176.441 174.900 0.066 0.000 1.165 306 G CA 0.904 45.913 45.100 -0.152 0.000 0.784 306 G HN 0.432 nan 8.290 nan 0.000 0.535 307 L N -0.060 121.219 121.223 0.093 0.000 2.141 307 L HA 0.074 4.414 4.340 -0.000 0.000 0.209 307 L C 2.799 179.697 176.870 0.047 0.000 1.094 307 L CA 0.258 55.113 54.840 0.024 0.000 0.763 307 L CB -0.324 41.732 42.059 -0.005 0.000 0.908 307 L HN 0.172 nan 8.230 nan 0.000 0.437 308 L N -0.783 120.462 121.223 0.037 0.000 2.027 308 L HA -0.167 4.173 4.340 -0.000 0.000 0.206 308 L C 2.621 179.498 176.870 0.011 0.000 1.074 308 L CA 1.450 56.309 54.840 0.033 0.000 0.745 308 L CB -0.802 41.275 42.059 0.031 0.000 0.898 308 L HN 0.203 nan 8.230 nan 0.000 0.433 309 T N -1.185 113.354 114.554 -0.025 0.000 2.803 309 T HA -0.203 4.147 4.350 -0.000 0.000 0.269 309 T C 1.979 176.676 174.700 -0.006 0.000 1.052 309 T CA 1.370 63.446 62.100 -0.041 0.000 1.136 309 T CB -0.399 68.396 68.868 -0.122 0.000 0.864 309 T HN 0.396 nan 8.240 nan 0.000 0.467 310 C N 2.031 121.340 119.300 0.016 0.000 2.440 310 C HA -0.069 4.391 4.460 -0.000 0.000 0.278 310 C C 3.167 178.175 174.990 0.029 0.000 1.295 310 C CA 1.335 60.377 59.018 0.041 0.000 1.738 310 C CB -1.447 26.325 27.740 0.053 0.000 1.987 310 C HN 0.790 nan 8.230 nan 0.000 0.492 311 T N -0.513 114.058 114.554 0.030 0.000 2.897 311 T HA -0.197 4.153 4.350 -0.000 0.000 0.271 311 T C 1.679 176.391 174.700 0.021 0.000 1.084 311 T CA 1.159 63.276 62.100 0.027 0.000 1.123 311 T CB -0.488 68.403 68.868 0.039 0.000 0.865 311 T HN 0.587 nan 8.240 nan 0.000 0.496 312 R N 0.228 120.740 120.500 0.019 0.000 2.189 312 R HA 0.111 4.451 4.340 -0.000 0.000 0.223 312 R C 2.003 178.315 176.300 0.018 0.000 1.092 312 R CA 0.875 56.985 56.100 0.017 0.000 0.989 312 R CB -0.156 30.152 30.300 0.012 0.000 0.876 312 R HN 0.362 nan 8.270 nan 0.000 0.457 313 V N -0.569 119.359 119.914 0.023 0.000 3.523 313 V HA -0.045 4.075 4.120 -0.000 0.000 0.255 313 V C 1.771 177.877 176.094 0.021 0.000 1.226 313 V CA 1.511 63.827 62.300 0.027 0.000 1.092 313 V CB 0.915 32.764 31.823 0.043 0.000 0.817 313 V HN 0.405 nan 8.190 nan 0.000 0.458 314 T N -3.653 110.909 114.554 0.013 0.000 3.086 314 T HA 0.122 4.472 4.350 -0.000 0.000 0.250 314 T C 0.816 175.514 174.700 -0.002 0.000 1.074 314 T CA -0.195 61.905 62.100 -0.000 0.000 0.988 314 T CB -0.102 68.755 68.868 -0.018 0.000 0.988 314 T HN 0.195 nan 8.240 nan 0.000 0.530 315 K N 1.128 121.531 120.400 0.005 0.000 3.071 315 K HA -0.154 4.166 4.320 -0.000 0.000 0.262 315 K C -0.648 175.954 176.600 0.004 0.000 0.977 315 K CA 0.804 57.094 56.287 0.006 0.000 0.721 315 K CB -1.788 30.715 32.500 0.005 0.000 1.293 315 K HN 0.565 nan 8.250 nan 0.000 0.475 316 K N 0.577 120.979 120.400 0.003 0.000 2.656 316 K HA 0.203 4.523 4.320 -0.000 0.000 0.241 316 K C -0.646 175.967 176.600 0.023 0.000 0.967 316 K CA -0.993 55.295 56.287 0.002 0.000 0.946 316 K CB 1.091 33.575 32.500 -0.026 0.000 1.164 316 K HN -0.147 nan 8.250 nan 0.000 0.459 317 L N 2.034 123.279 121.223 0.036 0.000 2.499 317 L HA -0.049 4.291 4.340 -0.000 0.000 0.281 317 L C 1.945 178.871 176.870 0.094 0.000 1.234 317 L CA 0.574 55.450 54.840 0.059 0.000 0.839 317 L CB 0.222 42.313 42.059 0.053 0.000 1.104 317 L HN 0.432 nan 8.230 nan 0.000 0.500 318 V N 0.946 120.940 119.914 0.134 0.000 2.317 318 V HA -0.318 3.802 4.120 -0.000 0.000 0.251 318 V C 2.143 178.372 176.094 0.224 0.000 1.065 318 V CA 2.179 64.617 62.300 0.230 0.000 1.049 318 V CB -0.933 30.992 31.823 0.170 0.000 0.651 318 V HN 1.062 nan 8.190 nan 0.000 0.450 319 S N -0.266 115.518 115.700 0.140 0.000 2.474 319 S HA -0.183 4.287 4.470 -0.000 0.000 0.235 319 S C 1.542 176.201 174.600 0.099 0.000 0.997 319 S CA 1.000 59.270 58.200 0.118 0.000 0.949 319 S CB -0.345 62.903 63.200 0.080 0.000 0.766 319 S HN 0.774 nan 8.310 nan 0.000 0.517 320 Q N 0.238 120.086 119.800 0.081 0.000 2.220 320 Q HA 0.378 4.718 4.340 -0.000 0.000 0.205 320 Q C -0.100 175.910 176.000 0.017 0.000 0.865 320 Q CA -0.087 55.743 55.803 0.045 0.000 0.960 320 Q CB 0.435 29.189 28.738 0.028 0.000 1.097 320 Q HN 0.504 nan 8.270 nan 0.000 0.493 321 E N 0.998 121.217 120.200 0.031 0.000 2.264 321 E HA 0.364 4.714 4.350 -0.000 0.000 0.260 321 E C -1.182 175.343 176.600 -0.125 0.000 0.961 321 E CA -0.578 55.745 56.400 -0.128 0.000 0.834 321 E CB 1.145 30.666 29.700 -0.299 0.000 1.230 321 E HN -0.171 nan 8.360 nan 0.000 0.412 322 K N 1.835 122.043 120.400 -0.319 0.000 2.426 322 K HA 0.387 4.706 4.320 -0.000 0.000 0.254 322 K C -1.444 174.957 176.600 -0.332 0.000 0.936 322 K CA -0.665 55.550 56.287 -0.118 0.000 0.801 322 K CB 1.267 33.738 32.500 -0.048 0.000 1.139 322 K HN 0.410 nan 8.250 nan 0.000 0.424 323 Y N 1.986 122.345 120.300 0.098 0.000 2.409 323 Y HA 0.428 4.978 4.550 -0.000 0.000 0.343 323 Y C -0.573 175.353 175.900 0.044 0.000 0.973 323 Y CA -1.199 56.878 58.100 -0.039 0.000 1.064 323 Y CB 1.490 39.884 38.460 -0.110 0.000 1.207 323 Y HN 0.340 nan 8.280 nan 0.000 0.452 324 L N 4.357 125.581 121.223 0.003 0.000 2.319 324 L HA 0.635 4.975 4.340 -0.000 0.000 0.281 324 L C -1.901 174.957 176.870 -0.019 0.000 1.005 324 L CA -0.809 54.081 54.840 0.082 0.000 0.828 324 L CB 0.101 42.153 42.059 -0.012 0.000 1.227 324 L HN 0.385 nan 8.230 nan 0.000 0.415 325 F N 5.583 125.624 119.950 0.152 0.000 2.404 325 F HA 0.359 4.886 4.527 0.000 0.000 0.354 325 F C -0.260 175.673 175.800 0.222 0.000 1.122 325 F CA -0.274 57.817 58.000 0.151 0.000 1.080 325 F CB 1.126 40.144 39.000 0.030 0.000 1.131 325 F HN 0.390 nan 8.300 nan 0.000 0.471 326 F N 3.512 123.637 119.950 0.292 0.000 2.368 326 F HA 0.645 5.172 4.527 -0.000 0.000 0.362 326 F C 0.306 176.221 175.800 0.191 0.000 1.137 326 F CA -0.653 57.498 58.000 0.252 0.000 1.161 326 F CB 0.077 39.308 39.000 0.384 0.000 1.265 326 F HN 0.631 nan 8.300 nan 0.000 0.530 327 G N 4.010 112.664 108.800 -0.242 0.000 2.885 327 G HA2 0.409 4.369 3.960 -0.000 0.000 0.685 327 G HA3 0.409 4.369 3.960 -0.000 0.000 0.685 327 G C -0.833 174.017 174.900 -0.083 0.000 1.216 327 G CA -0.459 44.497 45.100 -0.239 0.000 0.790 327 G HN 1.442 nan 8.290 nan 0.000 0.631 328 A N 1.213 123.966 122.820 -0.112 0.000 2.674 328 A HA 0.808 5.128 4.320 -0.000 0.000 0.286 328 A C 1.277 178.873 177.584 0.020 0.000 0.980 328 A CA 1.101 53.062 52.037 -0.128 0.000 1.028 328 A CB -0.114 18.664 19.000 -0.370 0.000 1.199 328 A HN 2.192 nan 8.150 nan 0.000 0.499 329 G N -0.746 108.050 108.800 -0.007 0.000 2.514 329 G HA2 0.412 4.372 3.960 -0.000 0.000 0.245 329 G HA3 0.412 4.372 3.960 -0.000 0.000 0.245 329 G C 1.365 176.257 174.900 -0.014 0.000 1.488 329 G CA 0.345 45.445 45.100 0.001 0.000 1.063 329 G HN 0.745 nan 8.290 nan 0.000 0.557 330 A N -0.522 122.287 122.820 -0.018 0.000 1.865 330 A HA 0.102 4.422 4.320 -0.000 0.000 0.217 330 A C 2.807 180.391 177.584 -0.000 0.000 1.191 330 A CA 3.065 55.095 52.037 -0.012 0.000 0.623 330 A CB -1.210 17.802 19.000 0.021 0.000 0.826 330 A HN 1.301 nan 8.150 nan 0.000 0.444 331 A N -0.639 122.193 122.820 0.020 0.000 1.851 331 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 331 A C 2.488 180.080 177.584 0.013 0.000 1.195 331 A CA 2.395 54.456 52.037 0.040 0.000 0.622 331 A CB -1.190 17.852 19.000 0.070 0.000 0.831 331 A HN 0.485 nan 8.150 nan 0.000 0.444 332 S N -0.441 115.255 115.700 -0.005 0.000 2.359 332 S HA -0.154 4.316 4.470 -0.000 0.000 0.224 332 S C 2.063 176.407 174.600 -0.427 0.000 1.035 332 S CA 1.927 60.059 58.200 -0.114 0.000 1.018 332 S CB -0.701 62.465 63.200 -0.058 0.000 0.876 332 S HN 0.732 nan 8.310 nan 0.000 0.448 333 T N 1.394 115.782 114.554 -0.277 0.000 2.746 333 T HA -0.050 4.300 4.350 -0.000 0.000 0.267 333 T C 2.044 176.620 174.700 -0.207 0.000 1.039 333 T CA 1.305 63.236 62.100 -0.282 0.000 1.142 333 T CB -0.832 67.980 68.868 -0.092 0.000 0.866 333 T HN 0.545 nan 8.240 nan 0.000 0.444 334 G N 1.257 109.996 108.800 -0.103 0.000 2.402 334 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.216 334 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.216 334 G C 1.528 176.396 174.900 -0.053 0.000 1.162 334 G CA 0.401 45.483 45.100 -0.029 0.000 0.777 334 G HN 0.493 nan 8.290 nan 0.000 0.539 335 I N 1.312 121.836 120.570 -0.077 0.000 2.252 335 I HA -0.140 4.030 4.170 -0.000 0.000 0.245 335 I C 3.292 179.355 176.117 -0.091 0.000 1.102 335 I CA 0.870 62.162 61.300 -0.013 0.000 1.385 335 I CB -0.243 37.846 38.000 0.149 0.000 1.064 335 I HN 0.239 nan 8.210 nan 0.000 0.414 336 A N 0.887 123.469 122.820 -0.398 0.000 1.883 336 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 336 A C 2.200 179.753 177.584 -0.051 0.000 1.186 336 A CA 1.855 53.621 52.037 -0.451 0.000 0.624 336 A CB -0.690 17.650 19.000 -1.099 0.000 0.822 336 A HN 0.464 nan 8.150 nan 0.000 0.444 337 E N -0.913 119.299 120.200 0.020 0.000 2.118 337 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 337 E C 2.056 178.742 176.600 0.143 0.000 0.992 337 E CA 1.280 57.788 56.400 0.180 0.000 0.804 337 E CB -0.250 29.545 29.700 0.158 0.000 0.741 337 E HN 0.487 nan 8.360 nan 0.000 0.458 338 M N 0.264 119.906 119.600 0.070 0.000 2.156 338 M HA -0.077 4.402 4.480 -0.000 0.000 0.264 338 M C 2.364 178.724 176.300 0.099 0.000 1.067 338 M CA 1.150 56.490 55.300 0.067 0.000 1.131 338 M CB -0.438 32.172 32.600 0.018 0.000 1.368 338 M HN 0.157 nan 8.290 nan 0.000 0.416 339 I N -0.474 120.130 120.570 0.056 0.000 2.163 339 I HA -0.289 3.881 4.170 -0.000 0.000 0.243 339 I C 2.344 178.515 176.117 0.089 0.000 1.085 339 I CA 1.028 62.338 61.300 0.017 0.000 1.347 339 I CB -0.464 37.473 38.000 -0.106 0.000 1.044 339 I HN 0.022 nan 8.210 nan 0.000 0.408 340 V N 0.427 120.427 119.914 0.143 0.000 2.255 340 V HA -0.380 3.740 4.120 -0.000 0.000 0.247 340 V C 2.471 178.644 176.094 0.132 0.000 1.051 340 V CA 2.535 64.928 62.300 0.156 0.000 1.018 340 V CB -0.984 30.955 31.823 0.193 0.000 0.641 340 V HN 0.495 nan 8.190 nan 0.000 0.445 341 H N -0.279 118.832 119.070 0.068 0.000 2.352 341 H HA -0.257 4.298 4.556 -0.000 0.000 0.299 341 H C 2.332 177.692 175.328 0.052 0.000 1.097 341 H CA 2.222 58.303 56.048 0.056 0.000 1.311 341 H CB 0.083 29.879 29.762 0.058 0.000 1.377 341 H HN 0.412 nan 8.280 nan 0.000 0.504 342 Q N 0.162 120.096 119.800 0.224 0.000 2.124 342 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 342 Q C 2.179 178.235 176.000 0.094 0.000 0.977 342 Q CA 1.864 57.759 55.803 0.154 0.000 0.850 342 Q CB -0.161 28.645 28.738 0.113 0.000 0.901 342 Q HN 0.599 nan 8.270 nan 0.000 0.429 343 M N -0.497 119.154 119.600 0.084 0.000 2.099 343 M HA -0.189 4.291 4.480 -0.000 0.000 0.262 343 M C 2.220 178.541 176.300 0.034 0.000 1.067 343 M CA 1.746 57.089 55.300 0.071 0.000 1.124 343 M CB -0.284 32.371 32.600 0.090 0.000 1.353 343 M HN 0.254 nan 8.290 nan 0.000 0.410 344 Q N 0.255 120.053 119.800 -0.004 0.000 2.135 344 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 344 Q C 1.598 177.574 176.000 -0.040 0.000 0.981 344 Q CA 1.118 56.893 55.803 -0.047 0.000 0.856 344 Q CB -0.342 28.321 28.738 -0.125 0.000 0.902 344 Q HN 0.535 nan 8.270 nan 0.000 0.425 345 N N 0.709 119.390 118.700 -0.031 0.000 2.512 345 N HA -0.100 4.640 4.740 -0.000 0.000 0.183 345 N C 0.507 176.036 175.510 0.030 0.000 1.073 345 N CA 0.808 53.863 53.050 0.008 0.000 0.911 345 N CB 0.173 38.692 38.487 0.054 0.000 0.964 345 N HN 0.409 nan 8.380 nan 0.000 0.447 346 E N -0.507 119.713 120.200 0.033 0.000 2.444 346 E HA 0.191 4.541 4.350 -0.000 0.000 0.191 346 E C 0.944 177.562 176.600 0.030 0.000 1.041 346 E CA 0.035 56.458 56.400 0.039 0.000 0.883 346 E CB 0.443 30.174 29.700 0.050 0.000 1.024 346 E HN 0.332 nan 8.360 nan 0.000 0.470 347 G N 1.404 110.217 108.800 0.020 0.000 2.349 347 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.213 347 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.213 347 G C 0.476 175.384 174.900 0.012 0.000 1.044 347 G CA -0.309 44.801 45.100 0.016 0.000 0.633 347 G HN 0.208 nan 8.290 nan 0.000 0.506 348 I N 2.479 123.061 120.570 0.019 0.000 3.246 348 I HA 0.326 4.496 4.170 -0.000 0.000 0.280 348 I C 1.531 177.651 176.117 0.005 0.000 1.239 348 I CA 0.720 62.031 61.300 0.018 0.000 1.336 348 I CB 0.824 38.844 38.000 0.034 0.000 1.383 348 I HN 0.542 nan 8.210 nan 0.000 0.617 349 S N 2.539 118.240 115.700 0.003 0.000 2.687 349 S HA 0.245 4.715 4.470 -0.000 0.000 0.283 349 S C 0.526 175.118 174.600 -0.014 0.000 1.170 349 S CA -0.857 57.337 58.200 -0.010 0.000 1.008 349 S CB 1.615 64.809 63.200 -0.010 0.000 1.026 349 S HN 0.644 nan 8.310 nan 0.000 0.541 350 K N 0.281 120.662 120.400 -0.031 0.000 2.515 350 K HA -0.065 4.255 4.320 -0.000 0.000 0.196 350 K C 1.444 178.013 176.600 -0.053 0.000 1.038 350 K CA 0.917 57.177 56.287 -0.044 0.000 0.967 350 K CB -0.104 32.359 32.500 -0.061 0.000 0.780 350 K HN 0.734 nan 8.250 nan 0.000 0.483 351 E N 0.400 120.579 120.200 -0.036 0.000 2.008 351 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 351 E C 1.757 178.346 176.600 -0.019 0.000 0.986 351 E CA 1.102 57.482 56.400 -0.035 0.000 0.807 351 E CB 0.003 29.690 29.700 -0.022 0.000 0.766 351 E HN 0.335 nan 8.360 nan 0.000 0.450 352 E N 0.973 121.175 120.200 0.004 0.000 2.051 352 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 352 E C 2.149 178.778 176.600 0.049 0.000 0.991 352 E CA 0.837 57.254 56.400 0.028 0.000 0.799 352 E CB -0.209 29.513 29.700 0.038 0.000 0.748 352 E HN 0.210 nan 8.360 nan 0.000 0.449 353 A N 1.254 124.104 122.820 0.051 0.000 1.870 353 A HA -0.300 4.020 4.320 -0.000 0.000 0.219 353 A C 2.517 180.169 177.584 0.113 0.000 1.224 353 A CA 1.979 54.070 52.037 0.089 0.000 0.650 353 A CB -1.268 17.771 19.000 0.065 0.000 0.836 353 A HN 0.451 nan 8.150 nan 0.000 0.454 354 C N -0.653 118.663 119.300 0.026 0.000 2.419 354 C HA -0.067 4.393 4.460 -0.000 0.000 0.281 354 C C 2.488 177.488 174.990 0.017 0.000 1.336 354 C CA 1.070 60.077 59.018 -0.019 0.000 1.770 354 C CB -1.955 25.603 27.740 -0.304 0.000 1.929 354 C HN 0.782 nan 8.230 nan 0.000 0.509 355 N N 0.103 118.797 118.700 -0.010 0.000 2.494 355 N HA 0.002 4.742 4.740 -0.000 0.000 0.182 355 N C 1.639 177.142 175.510 -0.011 0.000 1.076 355 N CA 0.196 53.217 53.050 -0.049 0.000 0.908 355 N CB -0.009 38.472 38.487 -0.010 0.000 0.967 355 N HN 0.543 nan 8.380 nan 0.000 0.449 356 R N -0.113 120.454 120.500 0.112 0.000 2.334 356 R HA 0.286 4.626 4.340 -0.000 0.000 0.216 356 R C -0.256 176.267 176.300 0.372 0.000 0.905 356 R CA 0.211 56.463 56.100 0.252 0.000 1.064 356 R CB 0.672 31.122 30.300 0.250 0.000 1.046 356 R HN 0.181 nan 8.270 nan 0.000 0.508 357 I N 0.808 121.520 120.570 0.236 0.000 2.466 357 I HA 0.269 4.439 4.170 -0.000 0.000 0.289 357 I C -1.175 175.006 176.117 0.107 0.000 1.026 357 I CA -1.035 60.478 61.300 0.356 0.000 1.078 357 I CB 1.615 39.837 38.000 0.370 0.000 1.249 357 I HN -0.103 nan 8.210 nan 0.000 0.429 358 Y N 6.267 126.715 120.300 0.246 0.000 2.341 358 Y HA 0.597 5.147 4.550 0.000 0.000 0.338 358 Y C -0.216 175.783 175.900 0.166 0.000 0.965 358 Y CA -0.761 57.442 58.100 0.172 0.000 1.108 358 Y CB 1.389 39.925 38.460 0.127 0.000 1.180 358 Y HN 0.270 nan 8.280 nan 0.000 0.458 359 L N 4.322 125.637 121.223 0.154 0.000 2.334 359 L HA 0.741 5.080 4.340 -0.000 0.000 0.270 359 L C -0.388 176.510 176.870 0.047 0.000 1.018 359 L CA -0.826 54.035 54.840 0.034 0.000 0.811 359 L CB 1.737 43.642 42.059 -0.256 0.000 1.271 359 L HN 0.572 nan 8.230 nan 0.000 0.443 360 M N 1.821 121.437 119.600 0.027 0.000 2.520 360 M HA 0.398 4.878 4.480 -0.000 0.000 0.283 360 M C -1.661 174.577 176.300 -0.102 0.000 1.237 360 M CA -0.668 54.648 55.300 0.027 0.000 0.885 360 M CB 2.924 35.636 32.600 0.186 0.000 1.727 360 M HN 0.704 nan 8.290 nan 0.000 0.468 361 D N 1.351 121.686 120.400 -0.108 0.000 3.009 361 D HA 0.372 5.012 4.640 -0.000 0.000 0.318 361 D C 0.928 177.155 176.300 -0.122 0.000 1.273 361 D CA -0.548 53.356 54.000 -0.160 0.000 1.001 361 D CB 0.685 41.431 40.800 -0.091 0.000 1.411 361 D HN 0.673 nan 8.370 nan 0.000 0.577 362 I N -1.319 119.193 120.570 -0.095 0.000 2.236 362 I HA -0.216 3.954 4.170 -0.000 0.000 0.249 362 I C 0.405 176.520 176.117 -0.005 0.000 1.102 362 I CA 1.609 62.881 61.300 -0.047 0.000 1.365 362 I CB -0.618 37.364 38.000 -0.031 0.000 1.051 362 I HN 0.089 nan 8.210 nan 0.000 0.420 363 D N 1.996 122.395 120.400 -0.001 0.000 2.538 363 D HA 0.306 4.946 4.640 -0.000 0.000 0.234 363 D C 1.186 177.505 176.300 0.032 0.000 1.191 363 D CA 0.884 54.894 54.000 0.018 0.000 0.828 363 D CB 0.103 40.913 40.800 0.016 0.000 0.981 363 D HN 0.586 nan 8.370 nan 0.000 0.490 364 G N 1.077 109.904 108.800 0.045 0.000 2.697 364 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.240 364 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.240 364 G C -0.116 174.824 174.900 0.065 0.000 1.346 364 G CA -0.503 44.644 45.100 0.077 0.000 0.887 364 G HN 0.383 nan 8.290 nan 0.000 0.569 365 L N -0.817 120.460 121.223 0.089 0.000 2.573 365 L HA 0.356 4.696 4.340 -0.000 0.000 0.290 365 L C 0.964 177.866 176.870 0.053 0.000 1.247 365 L CA 0.392 55.285 54.840 0.088 0.000 0.876 365 L CB 0.610 42.735 42.059 0.109 0.000 1.123 365 L HN 0.805 nan 8.230 nan 0.000 0.505 366 V N 5.182 125.117 119.914 0.033 0.000 2.299 366 V HA 0.252 4.372 4.120 -0.000 0.000 0.255 366 V C 0.504 176.622 176.094 0.041 0.000 1.100 366 V CA 0.024 62.332 62.300 0.013 0.000 0.938 366 V CB -0.055 31.730 31.823 -0.063 0.000 1.139 366 V HN 0.986 nan 8.190 nan 0.000 0.490 367 T N 1.366 115.948 114.554 0.047 0.000 2.934 367 T HA 0.370 4.720 4.350 -0.000 0.000 0.283 367 T C 1.089 175.812 174.700 0.039 0.000 1.005 367 T CA -0.889 61.240 62.100 0.048 0.000 1.041 367 T CB 1.543 70.441 68.868 0.049 0.000 1.042 367 T HN 0.310 nan 8.240 nan 0.000 0.505 368 K N 0.964 121.383 120.400 0.032 0.000 2.286 368 K HA -0.061 4.259 4.320 -0.000 0.000 0.203 368 K C 0.406 177.020 176.600 0.023 0.000 1.045 368 K CA 0.785 57.087 56.287 0.024 0.000 0.935 368 K CB -0.355 32.155 32.500 0.017 0.000 0.737 368 K HN 0.563 nan 8.250 nan 0.000 0.460 369 N N 2.075 120.790 118.700 0.026 0.000 3.209 369 N HA 0.032 4.771 4.740 -0.000 0.000 0.309 369 N C -0.299 175.226 175.510 0.025 0.000 1.384 369 N CA 0.055 53.119 53.050 0.023 0.000 1.173 369 N CB 0.455 38.956 38.487 0.023 0.000 1.460 369 N HN -0.065 nan 8.380 nan 0.000 0.534 370 R N 0.741 121.257 120.500 0.026 0.000 2.460 370 R HA 0.321 4.661 4.340 -0.000 0.000 0.303 370 R C 0.102 176.415 176.300 0.021 0.000 0.968 370 R CA -0.433 55.684 56.100 0.028 0.000 0.889 370 R CB 1.825 32.148 30.300 0.039 0.000 1.123 370 R HN 0.121 nan 8.270 nan 0.000 0.455 371 K N 2.452 122.864 120.400 0.019 0.000 2.300 371 K HA 0.156 4.476 4.320 -0.000 0.000 0.264 371 K C -0.454 176.153 176.600 0.011 0.000 1.083 371 K CA -0.092 56.203 56.287 0.013 0.000 0.958 371 K CB 0.656 33.163 32.500 0.011 0.000 1.318 371 K HN 0.556 nan 8.250 nan 0.000 0.448 372 E N 1.276 121.481 120.200 0.008 0.000 2.645 372 E HA -0.178 4.172 4.350 -0.000 0.000 0.282 372 E C -0.036 176.568 176.600 0.006 0.000 1.013 372 E CA 0.147 56.548 56.400 0.003 0.000 0.842 372 E CB -1.264 28.436 29.700 -0.001 0.000 1.396 372 E HN 0.677 nan 8.360 nan 0.000 0.404 373 M N -0.828 118.783 119.600 0.019 0.000 2.198 373 M HA 0.286 4.766 4.480 -0.000 0.000 0.315 373 M C 0.364 176.664 176.300 -0.001 0.000 1.134 373 M CA -0.071 55.253 55.300 0.041 0.000 1.171 373 M CB 0.521 33.168 32.600 0.079 0.000 1.413 373 M HN -0.132 nan 8.290 nan 0.000 0.467 374 N N 2.317 120.997 118.700 -0.033 0.000 2.492 374 N HA 0.108 4.848 4.740 -0.000 0.000 0.262 374 N C -1.990 173.417 175.510 -0.172 0.000 1.202 374 N CA -0.851 52.082 53.050 -0.195 0.000 0.926 374 N CB 0.742 38.930 38.487 -0.498 0.000 1.078 374 N HN 0.493 nan 8.380 nan 0.000 0.454 375 P HA -0.129 nan 4.420 nan 0.000 0.216 375 P C 0.945 178.189 177.300 -0.094 0.000 1.154 375 P CA 1.531 64.571 63.100 -0.100 0.000 0.865 375 P CB 0.259 31.900 31.700 -0.098 0.000 0.789 376 R N -1.990 118.401 120.500 -0.181 0.000 2.237 376 R HA -0.077 4.263 4.340 -0.000 0.000 0.219 376 R C 2.048 178.429 176.300 0.136 0.000 1.080 376 R CA 0.938 56.982 56.100 -0.094 0.000 0.995 376 R CB -0.668 29.492 30.300 -0.232 0.000 0.875 376 R HN 0.513 nan 8.270 nan 0.000 0.462 377 H N -0.933 118.180 119.070 0.073 0.000 2.465 377 H HA 0.050 4.606 4.556 -0.000 0.000 0.289 377 H C 2.075 177.477 175.328 0.123 0.000 1.022 377 H CA 0.218 56.364 56.048 0.164 0.000 1.340 377 H CB 0.410 30.207 29.762 0.058 0.000 1.437 377 H HN -0.099 nan 8.280 nan 0.000 0.539 378 V N 2.053 122.053 119.914 0.144 0.000 2.257 378 V HA -0.415 3.705 4.120 -0.000 0.000 0.257 378 V C 2.435 178.520 176.094 -0.015 0.000 1.077 378 V CA 2.536 64.864 62.300 0.046 0.000 1.063 378 V CB -0.652 31.170 31.823 -0.001 0.000 0.664 378 V HN 0.669 nan 8.190 nan 0.000 0.450 379 Q N -1.542 118.189 119.800 -0.114 0.000 2.488 379 Q HA -0.086 4.254 4.340 -0.000 0.000 0.211 379 Q C 1.718 177.467 176.000 -0.419 0.000 0.967 379 Q CA 1.700 57.325 55.803 -0.298 0.000 0.926 379 Q CB -0.232 28.239 28.738 -0.445 0.000 0.992 379 Q HN 0.642 nan 8.270 nan 0.000 0.506 380 F N 0.796 120.729 119.950 -0.029 0.000 2.694 380 F HA 0.408 4.935 4.527 0.000 0.000 0.292 380 F C 1.090 176.838 175.800 -0.087 0.000 1.121 380 F CA -0.363 57.595 58.000 -0.070 0.000 1.352 380 F CB 0.322 39.279 39.000 -0.072 0.000 1.107 380 F HN 0.027 nan 8.300 nan 0.000 0.597 381 A N 2.308 125.200 122.820 0.120 0.000 2.563 381 A HA 0.045 4.365 4.320 -0.000 0.000 0.256 381 A C 0.257 177.852 177.584 0.018 0.000 1.056 381 A CA 0.132 52.206 52.037 0.061 0.000 0.775 381 A CB -0.260 18.774 19.000 0.057 0.000 0.973 381 A HN -0.000 nan 8.150 nan 0.000 0.516 382 K N 2.430 122.839 120.400 0.014 0.000 2.174 382 K HA 0.194 4.514 4.320 -0.000 0.000 0.275 382 K C -0.617 176.004 176.600 0.035 0.000 1.015 382 K CA -0.466 55.823 56.287 0.004 0.000 0.933 382 K CB 1.020 33.536 32.500 0.028 0.000 1.025 382 K HN 0.692 nan 8.250 nan 0.000 0.463 383 D N 3.946 124.364 120.400 0.030 0.000 2.563 383 D HA 0.160 4.800 4.640 -0.000 0.000 0.222 383 D C 0.578 176.907 176.300 0.049 0.000 1.145 383 D CA -0.093 53.927 54.000 0.034 0.000 1.001 383 D CB -0.306 40.507 40.800 0.021 0.000 1.049 383 D HN 0.395 nan 8.370 nan 0.000 0.515 384 M N -2.025 117.610 119.600 0.060 0.000 2.755 384 M HA 0.561 5.041 4.480 -0.000 0.000 0.273 384 M C -3.037 173.296 176.300 0.055 0.000 1.278 384 M CA -2.169 53.169 55.300 0.064 0.000 0.819 384 M CB 2.051 34.708 32.600 0.094 0.000 1.694 384 M HN -0.334 nan 8.290 nan 0.000 0.460 385 P HA 0.093 nan 4.420 nan 0.000 0.265 385 P C -1.127 176.201 177.300 0.046 0.000 1.193 385 P CA 0.351 63.475 63.100 0.040 0.000 0.765 385 P CB 0.238 31.958 31.700 0.033 0.000 0.823 386 E N 1.083 121.308 120.200 0.041 0.000 2.324 386 E HA 0.304 4.654 4.350 -0.000 0.000 0.271 386 E C 0.650 177.276 176.600 0.043 0.000 1.028 386 E CA 0.282 56.708 56.400 0.044 0.000 0.890 386 E CB 0.347 30.069 29.700 0.037 0.000 1.004 386 E HN 0.382 nan 8.360 nan 0.000 0.431 387 T N 0.640 115.226 114.554 0.052 0.000 2.676 387 T HA 0.581 4.931 4.350 -0.000 0.000 0.269 387 T C 0.234 174.972 174.700 0.064 0.000 0.952 387 T CA -0.272 61.858 62.100 0.051 0.000 1.040 387 T CB 1.229 70.126 68.868 0.049 0.000 1.352 387 T HN 0.371 nan 8.240 nan 0.000 0.554 388 T N 0.253 114.849 114.554 0.070 0.000 3.177 388 T HA 0.270 4.620 4.350 -0.000 0.000 0.267 388 T C 0.079 174.841 174.700 0.103 0.000 0.858 388 T CA -0.119 62.038 62.100 0.094 0.000 0.846 388 T CB 0.180 69.093 68.868 0.075 0.000 1.256 388 T HN 0.507 nan 8.240 nan 0.000 0.601 389 S N 1.304 117.043 115.700 0.064 0.000 2.489 389 S HA 0.453 4.923 4.470 -0.000 0.000 0.277 389 S C 1.371 175.985 174.600 0.024 0.000 1.230 389 S CA -0.597 57.623 58.200 0.034 0.000 1.053 389 S CB 0.056 63.262 63.200 0.010 0.000 0.955 389 S HN 0.287 nan 8.310 nan 0.000 0.488 390 I N 5.095 125.658 120.570 -0.013 0.000 2.179 390 I HA -0.203 3.967 4.170 -0.000 0.000 0.242 390 I C 2.078 178.154 176.117 -0.069 0.000 1.088 390 I CA 1.166 62.436 61.300 -0.049 0.000 1.357 390 I CB -0.324 37.575 38.000 -0.168 0.000 1.051 390 I HN 0.670 nan 8.210 nan 0.000 0.409 391 L N 0.479 121.657 121.223 -0.074 0.000 2.021 391 L HA -0.283 4.057 4.340 -0.000 0.000 0.215 391 L C 2.562 179.395 176.870 -0.061 0.000 1.074 391 L CA 1.723 56.517 54.840 -0.076 0.000 0.760 391 L CB -0.713 41.307 42.059 -0.065 0.000 0.889 391 L HN 0.283 nan 8.230 nan 0.000 0.433 392 E N -0.529 119.649 120.200 -0.037 0.000 2.118 392 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 392 E C 2.215 178.794 176.600 -0.034 0.000 0.992 392 E CA 1.480 57.864 56.400 -0.027 0.000 0.804 392 E CB -0.052 29.645 29.700 -0.005 0.000 0.741 392 E HN 0.328 nan 8.360 nan 0.000 0.458 393 V N 1.317 121.212 119.914 -0.031 0.000 2.307 393 V HA -0.252 3.868 4.120 -0.000 0.000 0.245 393 V C 2.256 178.277 176.094 -0.121 0.000 1.045 393 V CA 1.428 63.700 62.300 -0.047 0.000 1.024 393 V CB -0.432 31.390 31.823 -0.003 0.000 0.651 393 V HN 0.260 nan 8.190 nan 0.000 0.449 394 I N -0.262 120.235 120.570 -0.122 0.000 2.091 394 I HA -0.252 3.918 4.170 -0.000 0.000 0.239 394 I C 2.846 178.878 176.117 -0.141 0.000 1.061 394 I CA 1.548 62.756 61.300 -0.154 0.000 1.317 394 I CB -0.486 37.426 38.000 -0.147 0.000 1.031 394 I HN 0.228 nan 8.210 nan 0.000 0.401 395 R N 0.823 121.261 120.500 -0.104 0.000 2.127 395 R HA -0.103 4.237 4.340 -0.000 0.000 0.238 395 R C 2.189 178.440 176.300 -0.083 0.000 1.134 395 R CA 1.517 57.567 56.100 -0.084 0.000 0.975 395 R CB -0.975 29.287 30.300 -0.062 0.000 0.865 395 R HN 0.444 nan 8.270 nan 0.000 0.447 396 A N 0.694 123.461 122.820 -0.088 0.000 1.855 396 A HA 0.116 4.436 4.320 -0.000 0.000 0.213 396 A C 2.184 179.696 177.584 -0.119 0.000 1.195 396 A CA 1.438 53.430 52.037 -0.075 0.000 0.610 396 A CB -0.376 18.598 19.000 -0.043 0.000 0.837 396 A HN 0.308 nan 8.150 nan 0.000 0.444 397 A N -1.529 121.146 122.820 -0.243 0.000 2.147 397 A HA 0.274 4.594 4.320 -0.000 0.000 0.211 397 A C 0.961 178.362 177.584 -0.305 0.000 1.160 397 A CA 0.346 52.134 52.037 -0.415 0.000 0.781 397 A CB -0.177 18.126 19.000 -1.160 0.000 0.842 397 A HN 0.453 nan 8.150 nan 0.000 0.475 398 R N -1.023 119.339 120.500 -0.229 0.000 3.205 398 R HA -0.114 4.225 4.340 -0.000 0.000 0.249 398 R C -2.557 173.626 176.300 -0.195 0.000 0.937 398 R CA 0.628 56.624 56.100 -0.173 0.000 0.641 398 R CB -2.115 28.115 30.300 -0.118 0.000 1.114 398 R HN 0.464 nan 8.270 nan 0.000 0.451 399 P HA 0.018 nan 4.420 nan 0.000 0.271 399 P C 0.794 177.959 177.300 -0.226 0.000 1.216 399 P CA 0.319 63.277 63.100 -0.237 0.000 0.776 399 P CB 1.087 32.643 31.700 -0.241 0.000 0.881 400 G N 1.712 110.348 108.800 -0.273 0.000 2.683 400 G HA2 0.288 4.248 3.960 -0.000 0.000 0.213 400 G HA3 0.288 4.248 3.960 -0.000 0.000 0.213 400 G C 0.375 175.102 174.900 -0.288 0.000 1.142 400 G CA 0.343 45.285 45.100 -0.263 0.000 0.793 400 G HN 0.811 nan 8.290 nan 0.000 0.534 401 A N -0.419 122.184 122.820 -0.361 0.000 2.449 401 A HA 0.698 5.018 4.320 -0.000 0.000 0.302 401 A C -1.778 175.652 177.584 -0.256 0.000 1.048 401 A CA -0.574 51.281 52.037 -0.304 0.000 0.708 401 A CB 2.021 20.815 19.000 -0.343 0.000 1.274 401 A HN 0.369 nan 8.150 nan 0.000 0.410 402 L N 3.027 124.110 121.223 -0.232 0.000 2.316 402 L HA 0.703 5.043 4.340 -0.000 0.000 0.280 402 L C -1.251 175.553 176.870 -0.110 0.000 1.006 402 L CA -0.214 54.479 54.840 -0.246 0.000 0.836 402 L CB 0.738 42.537 42.059 -0.433 0.000 1.221 402 L HN 0.573 nan 8.230 nan 0.000 0.418 403 I N 4.623 125.136 120.570 -0.095 0.000 2.362 403 I HA 0.538 4.708 4.170 -0.000 0.000 0.289 403 I C 0.480 176.815 176.117 0.365 0.000 0.994 403 I CA -0.534 60.805 61.300 0.066 0.000 1.158 403 I CB 1.864 39.680 38.000 -0.306 0.000 1.315 403 I HN 0.746 nan 8.210 nan 0.000 0.451 404 G N 4.451 113.552 108.800 0.501 0.000 2.384 404 G HA2 0.635 4.595 3.960 -0.000 0.000 0.316 404 G HA3 0.635 4.595 3.960 -0.000 0.000 0.316 404 G C -0.323 174.725 174.900 0.247 0.000 1.160 404 G CA -0.387 44.970 45.100 0.429 0.000 0.936 404 G HN 0.745 nan 8.290 nan 0.000 0.455 405 A N 2.270 125.217 122.820 0.212 0.000 3.253 405 A HA 0.655 4.974 4.320 -0.000 0.000 0.290 405 A C 0.256 177.865 177.584 0.042 0.000 0.950 405 A CA -0.264 51.851 52.037 0.130 0.000 0.986 405 A CB 0.094 19.187 19.000 0.155 0.000 1.104 405 A HN 1.438 nan 8.150 nan 0.000 0.481 406 S N -0.956 114.752 115.700 0.013 0.000 2.672 406 S HA 0.347 4.817 4.470 -0.000 0.000 0.291 406 S C 0.280 174.867 174.600 -0.021 0.000 1.145 406 S CA -0.226 57.932 58.200 -0.071 0.000 1.013 406 S CB 0.957 63.994 63.200 -0.271 0.000 1.017 406 S HN 0.231 nan 8.310 nan 0.000 0.487 407 T N 2.301 116.841 114.554 -0.024 0.000 3.736 407 T HA 0.026 4.376 4.350 -0.000 0.000 0.263 407 T C 0.715 175.418 174.700 0.005 0.000 1.195 407 T CA 0.881 62.976 62.100 -0.008 0.000 0.986 407 T CB -1.560 67.299 68.868 -0.014 0.000 0.990 407 T HN 1.040 nan 8.240 nan 0.000 0.582 408 V N -0.447 119.482 119.914 0.025 0.000 2.328 408 V HA 0.526 4.646 4.120 -0.000 0.000 0.278 408 V C 0.202 176.316 176.094 0.032 0.000 1.021 408 V CA -1.638 60.696 62.300 0.057 0.000 0.838 408 V CB 0.956 32.867 31.823 0.147 0.000 0.999 408 V HN 0.219 nan 8.190 nan 0.000 0.447 409 R N 4.096 124.607 120.500 0.018 0.000 2.679 409 R HA 0.414 4.754 4.340 -0.000 0.000 0.268 409 R C 1.360 177.657 176.300 -0.006 0.000 1.044 409 R CA 1.062 57.165 56.100 0.004 0.000 1.105 409 R CB 0.432 30.741 30.300 0.015 0.000 0.989 409 R HN 1.752 nan 8.270 nan 0.000 0.447 410 G N 2.306 111.091 108.800 -0.026 0.000 2.212 410 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.267 410 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.267 410 G C 0.881 175.764 174.900 -0.029 0.000 1.002 410 G CA 0.836 45.925 45.100 -0.017 0.000 0.729 410 G HN 0.877 nan 8.290 nan 0.000 0.517 411 A N -0.506 122.253 122.820 -0.102 0.000 1.986 411 A HA 0.163 4.483 4.320 -0.000 0.000 0.220 411 A C 1.203 178.782 177.584 -0.008 0.000 1.171 411 A CA 1.113 53.074 52.037 -0.126 0.000 0.640 411 A CB -0.242 18.637 19.000 -0.202 0.000 0.811 411 A HN 0.772 nan 8.150 nan 0.000 0.451 412 F N 1.466 121.357 119.950 -0.099 0.000 2.384 412 F HA 0.187 4.714 4.527 -0.000 0.000 0.359 412 F C 0.445 176.227 175.800 -0.031 0.000 1.143 412 F CA -1.145 56.800 58.000 -0.092 0.000 1.216 412 F CB 0.120 39.096 39.000 -0.040 0.000 1.512 412 F HN 0.342 nan 8.300 nan 0.000 0.573 413 N N 0.326 119.103 118.700 0.129 0.000 2.379 413 N HA 0.027 4.767 4.740 -0.000 0.000 0.260 413 N C 0.953 176.487 175.510 0.041 0.000 1.254 413 N CA -0.604 52.492 53.050 0.077 0.000 0.958 413 N CB 0.521 39.012 38.487 0.006 0.000 1.208 413 N HN 0.500 nan 8.380 nan 0.000 0.532 414 E N -0.168 119.974 120.200 -0.096 0.000 2.065 414 E HA -0.358 3.992 4.350 -0.000 0.000 0.201 414 E C 1.091 177.548 176.600 -0.239 0.000 1.016 414 E CA 1.794 57.932 56.400 -0.436 0.000 0.818 414 E CB -0.095 28.949 29.700 -1.093 0.000 0.749 414 E HN 0.713 nan 8.360 nan 0.000 0.453 415 E N -0.363 119.723 120.200 -0.189 0.000 2.065 415 E HA -0.236 4.114 4.350 -0.000 0.000 0.201 415 E C 2.193 178.729 176.600 -0.106 0.000 1.016 415 E CA 1.828 58.147 56.400 -0.135 0.000 0.818 415 E CB -0.054 29.582 29.700 -0.106 0.000 0.749 415 E HN 0.180 nan 8.360 nan 0.000 0.453 416 V N 1.215 121.075 119.914 -0.091 0.000 2.295 416 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 416 V C 2.232 178.250 176.094 -0.127 0.000 1.049 416 V CA 1.654 63.883 62.300 -0.118 0.000 1.024 416 V CB -0.427 31.324 31.823 -0.120 0.000 0.648 416 V HN 0.275 nan 8.190 nan 0.000 0.447 417 I N -0.761 119.772 120.570 -0.061 0.000 2.202 417 I HA -0.184 3.986 4.170 -0.000 0.000 0.242 417 I C 2.825 178.924 176.117 -0.028 0.000 1.091 417 I CA 1.241 62.526 61.300 -0.026 0.000 1.368 417 I CB -0.530 37.536 38.000 0.111 0.000 1.058 417 I HN 0.203 nan 8.210 nan 0.000 0.410 418 R N 1.129 121.607 120.500 -0.035 0.000 2.096 418 R HA -0.179 4.161 4.340 -0.000 0.000 0.240 418 R C 2.339 178.604 176.300 -0.058 0.000 1.139 418 R CA 1.754 57.826 56.100 -0.046 0.000 0.952 418 R CB -1.102 29.144 30.300 -0.089 0.000 0.854 418 R HN 0.418 nan 8.270 nan 0.000 0.436 419 A N 0.784 123.556 122.820 -0.080 0.000 1.978 419 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 419 A C 2.203 179.732 177.584 -0.091 0.000 1.170 419 A CA 1.361 53.346 52.037 -0.086 0.000 0.636 419 A CB -0.269 18.671 19.000 -0.099 0.000 0.810 419 A HN 0.111 nan 8.150 nan 0.000 0.448 420 M N -0.814 118.726 119.600 -0.101 0.000 2.193 420 M HA 0.026 4.506 4.480 -0.000 0.000 0.265 420 M C 2.382 178.641 176.300 -0.068 0.000 1.071 420 M CA 1.442 56.679 55.300 -0.106 0.000 1.140 420 M CB -1.325 31.195 32.600 -0.133 0.000 1.369 420 M HN 0.449 nan 8.290 nan 0.000 0.423 421 A N -0.278 122.517 122.820 -0.043 0.000 2.209 421 A HA -0.097 4.223 4.320 -0.000 0.000 0.212 421 A C 1.976 179.545 177.584 -0.025 0.000 1.158 421 A CA 1.119 53.145 52.037 -0.018 0.000 0.742 421 A CB -0.503 18.500 19.000 0.007 0.000 0.790 421 A HN 0.565 nan 8.150 nan 0.000 0.472 422 E N -0.477 119.699 120.200 -0.040 0.000 2.099 422 E HA 0.070 4.420 4.350 -0.000 0.000 0.191 422 E C 1.641 178.214 176.600 -0.044 0.000 0.962 422 E CA 0.576 56.952 56.400 -0.039 0.000 0.826 422 E CB -0.100 29.572 29.700 -0.046 0.000 0.788 422 E HN 0.632 nan 8.360 nan 0.000 0.461 423 I N 1.355 121.890 120.570 -0.058 0.000 2.546 423 I HA -0.102 4.068 4.170 -0.000 0.000 0.255 423 I C 0.466 176.547 176.117 -0.060 0.000 1.163 423 I CA 0.593 61.854 61.300 -0.064 0.000 1.457 423 I CB -0.101 37.848 38.000 -0.085 0.000 1.092 423 I HN 0.003 nan 8.210 nan 0.000 0.434 424 N N 0.483 119.149 118.700 -0.057 0.000 2.238 424 N HA 0.185 4.925 4.740 -0.000 0.000 0.302 424 N C 0.231 175.725 175.510 -0.027 0.000 1.072 424 N CA -0.374 52.647 53.050 -0.050 0.000 0.792 424 N CB 1.979 40.426 38.487 -0.067 0.000 1.425 424 N HN 0.028 nan 8.380 nan 0.000 0.478 425 E N 0.699 120.887 120.200 -0.019 0.000 2.047 425 E HA -0.049 4.301 4.350 -0.000 0.000 0.191 425 E C -0.081 176.526 176.600 0.011 0.000 0.987 425 E CA 1.050 57.448 56.400 -0.003 0.000 0.799 425 E CB 0.285 29.984 29.700 -0.001 0.000 0.752 425 E HN 0.215 nan 8.360 nan 0.000 0.449 426 R N 1.039 121.546 120.500 0.011 0.000 2.564 426 R HA 0.262 4.602 4.340 -0.000 0.000 0.282 426 R C -2.572 173.742 176.300 0.023 0.000 1.573 426 R CA -2.139 53.983 56.100 0.036 0.000 1.588 426 R CB 0.560 30.888 30.300 0.046 0.000 1.154 426 R HN 0.143 nan 8.270 nan 0.000 0.606 427 P HA 0.105 nan 4.420 nan 0.000 0.268 427 P C 0.044 177.358 177.300 0.024 0.000 1.204 427 P CA 0.005 63.096 63.100 -0.015 0.000 0.768 427 P CB 1.099 32.782 31.700 -0.028 0.000 0.842 428 I N 4.491 125.046 120.570 -0.025 0.000 2.312 428 I HA 0.282 4.451 4.170 -0.000 0.000 0.291 428 I C 0.557 176.695 176.117 0.035 0.000 1.031 428 I CA -0.316 60.990 61.300 0.009 0.000 1.293 428 I CB 0.223 38.139 38.000 -0.140 0.000 1.403 428 I HN 0.141 nan 8.210 nan 0.000 0.484 429 I N 6.913 127.630 120.570 0.244 0.000 2.439 429 I HA 0.330 4.500 4.170 -0.000 0.000 0.283 429 I C -1.026 175.414 176.117 0.539 0.000 1.023 429 I CA -0.424 61.054 61.300 0.296 0.000 1.100 429 I CB 1.271 39.433 38.000 0.270 0.000 1.238 429 I HN 0.305 nan 8.210 nan 0.000 0.445 430 F N 4.717 124.707 119.950 0.067 0.000 2.427 430 F HA 0.566 5.093 4.527 -0.000 0.000 0.348 430 F C 0.442 176.314 175.800 0.121 0.000 1.125 430 F CA -1.387 56.599 58.000 -0.023 0.000 0.989 430 F CB 1.975 40.992 39.000 0.027 0.000 1.165 430 F HN 0.407 nan 8.300 nan 0.000 0.442 431 A N 4.669 127.539 122.820 0.083 0.000 2.540 431 A HA 0.537 4.857 4.320 -0.000 0.000 0.340 431 A C 0.217 177.846 177.584 0.074 0.000 1.424 431 A CA -0.276 51.835 52.037 0.124 0.000 0.940 431 A CB -0.133 18.967 19.000 0.167 0.000 1.149 431 A HN 0.615 nan 8.150 nan 0.000 0.505 432 L N 1.145 122.437 121.223 0.115 0.000 2.558 432 L HA 0.123 4.463 4.340 -0.000 0.000 0.225 432 L C 1.252 178.166 176.870 0.073 0.000 1.128 432 L CA 0.705 55.604 54.840 0.098 0.000 0.868 432 L CB -0.835 41.316 42.059 0.155 0.000 1.006 432 L HN 0.493 nan 8.230 nan 0.000 0.454 433 S N 0.864 116.600 115.700 0.060 0.000 2.549 433 S HA 0.175 4.645 4.470 -0.000 0.000 0.283 433 S C 0.415 175.032 174.600 0.028 0.000 1.320 433 S CA -0.226 57.996 58.200 0.038 0.000 1.058 433 S CB 0.257 63.470 63.200 0.021 0.000 0.882 433 S HN 0.283 nan 8.310 nan 0.000 0.498 434 N N 2.799 121.505 118.700 0.010 0.000 2.319 434 N HA 0.488 5.228 4.740 -0.000 0.000 0.305 434 N C -2.618 172.878 175.510 -0.023 0.000 1.103 434 N CA -1.346 51.696 53.050 -0.014 0.000 0.815 434 N CB 1.467 39.943 38.487 -0.018 0.000 1.288 434 N HN 0.264 nan 8.380 nan 0.000 0.493 435 P HA 0.191 nan 4.420 nan 0.000 0.318 435 P C 1.054 178.312 177.300 -0.069 0.000 1.309 435 P CA 0.047 63.106 63.100 -0.067 0.000 0.736 435 P CB 0.121 31.775 31.700 -0.077 0.000 1.440 436 T N -3.363 111.104 114.554 -0.145 0.000 2.803 436 T HA -0.177 4.173 4.350 -0.000 0.000 0.269 436 T C 1.647 176.354 174.700 0.012 0.000 1.052 436 T CA 1.664 63.662 62.100 -0.170 0.000 1.136 436 T CB -1.484 67.094 68.868 -0.485 0.000 0.864 436 T HN 0.420 nan 8.240 nan 0.000 0.467 437 S N 1.051 116.742 115.700 -0.014 0.000 2.595 437 S HA 0.082 4.552 4.470 -0.000 0.000 0.235 437 S C 1.337 175.950 174.600 0.022 0.000 0.974 437 S CA 0.135 58.343 58.200 0.014 0.000 0.942 437 S CB -0.390 62.805 63.200 -0.008 0.000 0.766 437 S HN 0.681 nan 8.310 nan 0.000 0.536 438 K N 0.369 120.784 120.400 0.025 0.000 2.520 438 K HA 0.419 4.739 4.320 -0.000 0.000 0.206 438 K C 0.209 176.828 176.600 0.032 0.000 1.122 438 K CA 0.113 56.412 56.287 0.020 0.000 1.045 438 K CB 1.031 33.534 32.500 0.005 0.000 0.932 438 K HN 0.359 nan 8.250 nan 0.000 0.571 439 A N 1.428 124.297 122.820 0.081 0.000 2.498 439 A HA 0.005 4.325 4.320 -0.000 0.000 0.239 439 A C 0.778 178.363 177.584 0.001 0.000 1.068 439 A CA 0.039 52.141 52.037 0.109 0.000 0.766 439 A CB 0.285 19.483 19.000 0.330 0.000 1.003 439 A HN 0.174 nan 8.150 nan 0.000 0.497 440 E N -0.126 119.994 120.200 -0.132 0.000 2.219 440 E HA -0.091 4.259 4.350 -0.000 0.000 0.198 440 E C 0.640 177.080 176.600 -0.265 0.000 0.998 440 E CA 1.746 57.884 56.400 -0.436 0.000 0.818 440 E CB -0.457 28.491 29.700 -1.253 0.000 0.741 440 E HN 0.988 nan 8.360 nan 0.000 0.477 441 C N -2.880 116.383 119.300 -0.062 0.000 3.289 441 C HA 0.552 5.012 4.460 -0.000 0.000 0.354 441 C C 0.180 175.081 174.990 -0.148 0.000 1.201 441 C CA -0.728 58.269 59.018 -0.034 0.000 1.199 441 C CB 0.728 28.514 27.740 0.076 0.000 1.511 441 C HN 0.268 nan 8.230 nan 0.000 0.506 442 T N 0.421 114.732 114.554 -0.404 0.000 2.788 442 T HA 0.606 4.956 4.350 -0.000 0.000 0.280 442 T C 1.313 175.251 174.700 -1.269 0.000 0.984 442 T CA 0.356 61.879 62.100 -0.962 0.000 0.972 442 T CB 1.133 69.555 68.868 -0.742 0.000 1.039 442 T HN 2.152 nan 8.240 nan 0.000 0.530 443 A N 0.053 121.896 122.820 -1.629 0.000 1.855 443 A HA -0.040 4.280 4.320 -0.000 0.000 0.215 443 A C 2.298 179.055 177.584 -1.378 0.000 1.191 443 A CA 1.818 52.816 52.037 -1.733 0.000 0.613 443 A CB -1.353 17.070 19.000 -0.961 0.000 0.829 443 A HN 1.071 nan 8.150 nan 0.000 0.442 444 E N -0.002 119.509 120.200 -1.148 0.000 2.136 444 E HA -0.296 4.054 4.350 -0.000 0.000 0.202 444 E C 1.855 177.775 176.600 -1.133 0.000 1.019 444 E CA 1.848 57.376 56.400 -1.455 0.000 0.819 444 E CB -0.177 28.793 29.700 -1.216 0.000 0.739 444 E HN 0.773 nan 8.360 nan 0.000 0.458 445 E N -0.136 119.477 120.200 -0.978 0.000 2.046 445 E HA -0.149 4.201 4.350 -0.000 0.000 0.190 445 E C 2.123 178.245 176.600 -0.796 0.000 0.982 445 E CA 0.780 56.588 56.400 -0.987 0.000 0.800 445 E CB -0.162 29.175 29.700 -0.604 0.000 0.756 445 E HN 0.389 nan 8.360 nan 0.000 0.449 446 A N 0.784 123.136 122.820 -0.780 0.000 1.908 446 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 446 A C 1.898 179.232 177.584 -0.417 0.000 1.181 446 A CA 1.351 53.030 52.037 -0.597 0.000 0.627 446 A CB -0.851 17.566 19.000 -0.972 0.000 0.818 446 A HN 0.317 nan 8.150 nan 0.000 0.445 447 Y N -0.364 119.647 120.300 -0.482 0.000 2.153 447 Y HA -0.142 4.408 4.550 -0.000 0.000 0.289 447 Y C 3.080 178.823 175.900 -0.261 0.000 1.119 447 Y CA 0.956 58.823 58.100 -0.387 0.000 1.116 447 Y CB -0.754 37.408 38.460 -0.497 0.000 1.004 447 Y HN 0.246 nan 8.280 nan 0.000 0.501 448 T N 0.984 115.452 114.554 -0.144 0.000 2.544 448 T HA -0.273 4.077 4.350 -0.000 0.000 0.264 448 T C 1.261 175.983 174.700 0.037 0.000 1.096 448 T CA 1.781 63.823 62.100 -0.097 0.000 1.181 448 T CB -0.980 67.660 68.868 -0.379 0.000 0.864 448 T HN 0.276 nan 8.240 nan 0.000 0.415 449 F N 1.206 121.121 119.950 -0.059 0.000 2.772 449 F HA 0.025 4.552 4.527 -0.000 0.000 0.301 449 F C 1.942 177.717 175.800 -0.042 0.000 1.250 449 F CA -0.245 57.723 58.000 -0.053 0.000 1.441 449 F CB -0.397 38.558 39.000 -0.075 0.000 1.112 449 F HN 0.199 nan 8.300 nan 0.000 0.563 450 T N -1.829 112.798 114.554 0.123 0.000 3.029 450 T HA 0.035 4.385 4.350 -0.000 0.000 0.256 450 T C 0.623 175.359 174.700 0.058 0.000 0.914 450 T CA -0.086 62.061 62.100 0.078 0.000 0.880 450 T CB 0.234 69.144 68.868 0.070 0.000 1.246 450 T HN 0.167 nan 8.240 nan 0.000 0.523 451 N N 0.183 118.912 118.700 0.050 0.000 3.003 451 N HA -0.160 4.580 4.740 -0.000 0.000 0.237 451 N C 0.910 176.425 175.510 0.008 0.000 0.969 451 N CA 0.968 54.034 53.050 0.026 0.000 0.941 451 N CB -1.454 37.046 38.487 0.022 0.000 1.098 451 N HN 0.708 nan 8.380 nan 0.000 0.563 452 G N -0.696 108.086 108.800 -0.030 0.000 2.157 452 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.248 452 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.248 452 G C 0.792 175.756 174.900 0.107 0.000 0.979 452 G CA 0.911 45.932 45.100 -0.131 0.000 0.650 452 G HN 1.014 nan 8.290 nan 0.000 0.529 453 A N -0.545 122.336 122.820 0.101 0.000 2.251 453 A HA 0.758 5.078 4.320 -0.000 0.000 0.209 453 A C 1.518 179.187 177.584 0.142 0.000 1.187 453 A CA 1.664 53.767 52.037 0.110 0.000 0.823 453 A CB -0.022 19.019 19.000 0.068 0.000 0.846 453 A HN 2.033 nan 8.150 nan 0.000 0.486 454 A N 0.162 123.102 122.820 0.200 0.000 2.366 454 A HA 0.588 4.908 4.320 -0.000 0.000 0.272 454 A C -0.112 177.682 177.584 0.349 0.000 1.135 454 A CA -0.312 51.867 52.037 0.236 0.000 0.804 454 A CB -0.033 19.087 19.000 0.201 0.000 1.064 454 A HN 0.373 nan 8.150 nan 0.000 0.499 455 L N 3.499 124.895 121.223 0.288 0.000 2.302 455 L HA 0.253 4.593 4.340 -0.000 0.000 0.285 455 L C -0.550 176.581 176.870 0.435 0.000 1.090 455 L CA -0.152 54.886 54.840 0.331 0.000 0.866 455 L CB -0.305 41.896 42.059 0.237 0.000 1.244 455 L HN 0.794 nan 8.230 nan 0.000 0.435 456 Y N 3.300 123.765 120.300 0.275 0.000 2.457 456 Y HA 0.763 5.313 4.550 -0.000 0.000 0.333 456 Y C -0.224 175.666 175.900 -0.017 0.000 1.119 456 Y CA -0.647 57.523 58.100 0.117 0.000 1.143 456 Y CB 1.747 40.104 38.460 -0.171 0.000 1.230 456 Y HN 0.520 nan 8.280 nan 0.000 0.469 457 A N 2.742 124.970 122.820 -0.986 0.000 2.604 457 A HA 0.708 5.028 4.320 -0.000 0.000 0.295 457 A C -1.362 175.577 177.584 -1.076 0.000 1.067 457 A CA -0.187 51.294 52.037 -0.927 0.000 0.683 457 A CB 0.931 19.185 19.000 -1.244 0.000 1.281 457 A HN 1.019 nan 8.150 nan 0.000 0.407 458 S N -0.349 115.054 115.700 -0.495 0.000 2.697 458 S HA 0.747 5.217 4.470 -0.000 0.000 0.289 458 S C 0.826 175.374 174.600 -0.086 0.000 1.149 458 S CA -0.036 58.032 58.200 -0.220 0.000 0.850 458 S CB 1.302 64.591 63.200 0.149 0.000 1.151 458 S HN 1.860 nan 8.310 nan 0.000 0.491 459 G N 0.201 108.994 108.800 -0.012 0.000 2.453 459 G HA2 0.299 4.259 3.960 -0.000 0.000 0.215 459 G HA3 0.299 4.259 3.960 -0.000 0.000 0.215 459 G C 0.268 175.152 174.900 -0.027 0.000 1.147 459 G CA 0.167 45.263 45.100 -0.007 0.000 0.802 459 G HN 0.678 nan 8.290 nan 0.000 0.535 460 S N 0.755 116.426 115.700 -0.047 0.000 2.648 460 S HA 0.578 5.048 4.470 -0.000 0.000 0.305 460 S C -2.716 171.768 174.600 -0.193 0.000 1.094 460 S CA -1.010 57.111 58.200 -0.132 0.000 0.983 460 S CB 2.602 65.683 63.200 -0.198 0.000 1.101 460 S HN 0.044 nan 8.310 nan 0.000 0.514 461 P HA 0.337 nan 4.420 nan 0.000 0.275 461 P C -1.346 175.744 177.300 -0.350 0.000 1.227 461 P CA -0.034 62.975 63.100 -0.151 0.000 0.781 461 P CB 0.209 31.862 31.700 -0.077 0.000 0.906 462 F N 2.750 122.747 119.950 0.078 0.000 2.565 462 F HA 0.406 4.933 4.527 -0.000 0.000 0.313 462 F C -1.529 174.328 175.800 0.095 0.000 1.091 462 F CA -1.992 56.051 58.000 0.072 0.000 0.915 462 F CB 1.958 41.004 39.000 0.076 0.000 1.208 462 F HN 0.246 nan 8.300 nan 0.000 0.453 463 P HA 0.108 nan 4.420 nan 0.000 0.273 463 P C -0.989 176.469 177.300 0.263 0.000 1.250 463 P CA -0.449 62.783 63.100 0.219 0.000 0.793 463 P CB 0.643 32.449 31.700 0.177 0.000 1.011 464 N N 0.178 119.018 118.700 0.234 0.000 2.479 464 N HA 0.142 4.882 4.740 -0.000 0.000 0.257 464 N C -0.613 175.103 175.510 0.344 0.000 1.232 464 N CA 0.348 53.560 53.050 0.270 0.000 0.920 464 N CB -0.018 38.581 38.487 0.186 0.000 1.105 464 N HN 0.386 nan 8.380 nan 0.000 0.444 465 F N 0.841 120.916 119.950 0.208 0.000 2.518 465 F HA 0.289 4.816 4.527 -0.000 0.000 0.323 465 F C -0.378 175.565 175.800 0.238 0.000 1.129 465 F CA -0.980 57.129 58.000 0.183 0.000 0.920 465 F CB 1.201 40.305 39.000 0.173 0.000 1.160 465 F HN 0.340 nan 8.300 nan 0.000 0.440 466 E N 6.267 126.189 120.200 -0.462 0.000 2.134 466 E HA 0.479 4.829 4.350 -0.000 0.000 0.278 466 E C -1.606 174.586 176.600 -0.681 0.000 0.959 466 E CA -0.860 55.322 56.400 -0.363 0.000 0.783 466 E CB 2.282 31.870 29.700 -0.187 0.000 1.095 466 E HN 0.493 nan 8.360 nan 0.000 0.399 467 L N 4.183 125.231 121.223 -0.292 0.000 2.404 467 L HA 0.351 4.691 4.340 -0.000 0.000 0.272 467 L C -0.803 176.052 176.870 -0.024 0.000 0.980 467 L CA -0.303 54.405 54.840 -0.219 0.000 0.836 467 L CB 1.026 43.008 42.059 -0.128 0.000 1.238 467 L HN 0.471 nan 8.230 nan 0.000 0.408 468 N N 4.097 122.771 118.700 -0.044 0.000 2.740 468 N HA -0.202 4.538 4.740 -0.000 0.000 0.248 468 N C 0.923 176.508 175.510 0.125 0.000 1.062 468 N CA 1.195 54.240 53.050 -0.008 0.000 0.704 468 N CB -1.320 37.110 38.487 -0.094 0.000 0.968 468 N HN 1.268 nan 8.380 nan 0.000 0.547 469 G N -1.296 107.556 108.800 0.086 0.000 2.189 469 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.267 469 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.267 469 G C -0.199 174.757 174.900 0.093 0.000 0.975 469 G CA 0.925 46.078 45.100 0.089 0.000 0.644 469 G HN 0.742 nan 8.290 nan 0.000 0.537 470 H N 0.365 119.362 119.070 -0.122 0.000 2.459 470 H HA 0.627 5.183 4.556 -0.000 0.000 0.332 470 H C 0.165 175.321 175.328 -0.287 0.000 1.094 470 H CA 0.016 55.921 56.048 -0.237 0.000 1.224 470 H CB 1.434 31.010 29.762 -0.310 0.000 1.449 470 H HN 0.092 nan 8.280 nan 0.000 0.484 471 T N 4.043 118.458 114.554 -0.233 0.000 2.767 471 T HA 0.300 4.650 4.350 -0.000 0.000 0.288 471 T C -0.566 173.980 174.700 -0.257 0.000 0.963 471 T CA -0.427 61.584 62.100 -0.148 0.000 1.019 471 T CB -0.003 68.815 68.868 -0.084 0.000 0.923 471 T HN 0.327 nan 8.240 nan 0.000 0.468 472 Y N 1.855 122.134 120.300 -0.036 0.000 2.409 472 Y HA 0.466 5.016 4.550 -0.000 0.000 0.339 472 Y C 0.715 176.689 175.900 0.122 0.000 1.033 472 Y CA -1.061 57.013 58.100 -0.044 0.000 1.094 472 Y CB 1.457 39.728 38.460 -0.314 0.000 1.210 472 Y HN 0.391 nan 8.280 nan 0.000 0.456 473 K N 4.846 125.413 120.400 0.277 0.000 2.540 473 K HA 0.284 4.604 4.320 -0.000 0.000 0.218 473 K C -2.914 173.890 176.600 0.339 0.000 1.017 473 K CA -1.964 54.487 56.287 0.273 0.000 1.029 473 K CB 1.090 33.693 32.500 0.173 0.000 1.348 473 K HN 0.320 nan 8.250 nan 0.000 0.508 474 P HA -0.008 nan 4.420 nan 0.000 0.271 474 P C 0.042 177.544 177.300 0.336 0.000 1.216 474 P CA 0.052 63.429 63.100 0.461 0.000 0.771 474 P CB 1.183 33.190 31.700 0.513 0.000 0.864 475 G N 2.928 111.906 108.800 0.297 0.000 2.502 475 G HA2 0.410 4.370 3.960 -0.000 0.000 0.305 475 G HA3 0.410 4.370 3.960 -0.000 0.000 0.305 475 G C -0.909 174.106 174.900 0.191 0.000 1.190 475 G CA -0.597 44.675 45.100 0.287 0.000 0.933 475 G HN 0.508 nan 8.290 nan 0.000 0.503 476 Q N -0.662 119.198 119.800 0.099 0.000 2.333 476 Q HA 0.474 4.814 4.340 -0.000 0.000 0.267 476 Q C 0.176 175.947 176.000 -0.382 0.000 1.012 476 Q CA -0.837 54.927 55.803 -0.065 0.000 0.824 476 Q CB 2.292 31.023 28.738 -0.012 0.000 1.290 476 Q HN 0.605 nan 8.270 nan 0.000 0.449 477 G N 2.667 111.238 108.800 -0.380 0.000 3.213 477 G HA2 -0.041 3.918 3.960 -0.000 0.000 0.263 477 G HA3 -0.041 3.918 3.960 -0.000 0.000 0.263 477 G C -0.086 174.716 174.900 -0.165 0.000 0.829 477 G CA -0.236 44.578 45.100 -0.476 0.000 1.983 477 G HN 0.391 nan 8.290 nan 0.000 0.616 478 N N 1.068 119.687 118.700 -0.134 0.000 2.458 478 N HA 0.034 4.774 4.740 -0.000 0.000 0.270 478 N C 1.078 176.609 175.510 0.035 0.000 1.102 478 N CA -0.468 52.549 53.050 -0.054 0.000 0.967 478 N CB 0.767 39.139 38.487 -0.190 0.000 1.078 478 N HN 0.111 nan 8.380 nan 0.000 0.471 479 N N 2.815 121.605 118.700 0.150 0.000 2.334 479 N HA -0.149 4.591 4.740 -0.000 0.000 0.187 479 N C 1.340 176.952 175.510 0.169 0.000 1.016 479 N CA 1.196 54.416 53.050 0.283 0.000 0.879 479 N CB -0.199 38.549 38.487 0.434 0.000 0.965 479 N HN 0.683 nan 8.380 nan 0.000 0.438 480 A N -0.492 122.298 122.820 -0.050 0.000 2.131 480 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 480 A C 1.533 178.805 177.584 -0.521 0.000 1.158 480 A CA 0.951 52.678 52.037 -0.516 0.000 0.665 480 A CB -0.818 17.973 19.000 -0.350 0.000 0.795 480 A HN 0.444 nan 8.150 nan 0.000 0.460 481 Y N -1.094 119.108 120.300 -0.164 0.000 2.457 481 Y HA -0.021 4.529 4.550 -0.000 0.000 0.292 481 Y C 2.041 177.888 175.900 -0.088 0.000 1.125 481 Y CA 0.467 58.509 58.100 -0.096 0.000 1.254 481 Y CB 0.184 38.644 38.460 -0.000 0.000 1.012 481 Y HN 0.242 nan 8.280 nan 0.000 0.555 482 I N -1.475 119.135 120.570 0.067 0.000 3.136 482 I HA -0.122 4.048 4.170 -0.000 0.000 0.262 482 I C 2.175 178.329 176.117 0.061 0.000 1.132 482 I CA 0.689 62.051 61.300 0.103 0.000 1.450 482 I CB -1.377 36.771 38.000 0.248 0.000 1.315 482 I HN 0.187 nan 8.210 nan 0.000 0.460 483 F N 2.329 122.361 119.950 0.137 0.000 2.161 483 F HA 0.016 4.543 4.527 -0.000 0.000 0.300 483 F C -0.728 175.015 175.800 -0.095 0.000 1.089 483 F CA 0.809 58.883 58.000 0.123 0.000 1.282 483 F CB -2.805 36.369 39.000 0.291 0.000 1.010 483 F HN 0.058 nan 8.300 nan 0.000 0.485 484 P HA -0.045 nan 4.420 nan 0.000 0.215 484 P C 2.059 179.256 177.300 -0.172 0.000 1.153 484 P CA 2.381 65.289 63.100 -0.319 0.000 0.853 484 P CB -0.420 31.053 31.700 -0.378 0.000 0.788 485 G N -0.467 108.255 108.800 -0.129 0.000 2.404 485 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.215 485 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.215 485 G C 1.637 176.493 174.900 -0.074 0.000 1.174 485 G CA 0.581 45.640 45.100 -0.067 0.000 0.780 485 G HN 0.124 nan 8.290 nan 0.000 0.537 486 V N 1.685 121.530 119.914 -0.116 0.000 2.332 486 V HA -0.170 3.950 4.120 -0.000 0.000 0.248 486 V C 3.328 179.346 176.094 -0.128 0.000 1.055 486 V CA 2.083 64.250 62.300 -0.221 0.000 1.038 486 V CB -0.888 30.671 31.823 -0.440 0.000 0.651 486 V HN 0.483 nan 8.190 nan 0.000 0.450 487 A N -0.200 122.586 122.820 -0.056 0.000 1.858 487 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 487 A C 2.180 179.792 177.584 0.047 0.000 1.190 487 A CA 2.179 54.226 52.037 0.016 0.000 0.617 487 A CB -0.694 18.124 19.000 -0.304 0.000 0.827 487 A HN 0.430 nan 8.150 nan 0.000 0.443 488 L N 0.133 121.369 121.223 0.021 0.000 1.990 488 L HA -0.115 4.225 4.340 -0.000 0.000 0.213 488 L C 2.491 179.424 176.870 0.104 0.000 1.072 488 L CA 2.550 57.437 54.840 0.079 0.000 0.755 488 L CB -1.121 40.974 42.059 0.059 0.000 0.889 488 L HN 0.344 nan 8.230 nan 0.000 0.432 489 G N -2.379 106.488 108.800 0.112 0.000 2.418 489 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 489 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 489 G C 1.474 176.500 174.900 0.211 0.000 1.158 489 G CA 1.211 46.447 45.100 0.228 0.000 0.771 489 G HN 0.436 nan 8.290 nan 0.000 0.545 490 T N 1.222 115.823 114.554 0.078 0.000 2.708 490 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 490 T C 2.395 177.125 174.700 0.051 0.000 1.037 490 T CA 1.107 63.239 62.100 0.055 0.000 1.146 490 T CB -0.157 68.734 68.868 0.039 0.000 0.865 490 T HN 0.249 nan 8.240 nan 0.000 0.435 491 I N 0.661 121.254 120.570 0.037 0.000 2.133 491 I HA -0.126 4.044 4.170 -0.000 0.000 0.238 491 I C 2.333 178.365 176.117 -0.141 0.000 1.074 491 I CA 1.212 62.477 61.300 -0.059 0.000 1.342 491 I CB -0.431 37.541 38.000 -0.046 0.000 1.053 491 I HN 0.174 nan 8.210 nan 0.000 0.404 492 L N -0.304 120.838 121.223 -0.134 0.000 2.042 492 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 492 L C 1.725 178.355 176.870 -0.400 0.000 1.076 492 L CA 1.636 56.288 54.840 -0.313 0.000 0.749 492 L CB -0.494 41.289 42.059 -0.459 0.000 0.893 492 L HN 0.214 nan 8.230 nan 0.000 0.432 493 F N -0.794 119.189 119.950 0.056 0.000 2.639 493 F HA 0.172 4.699 4.527 -0.000 0.000 0.300 493 F C 0.676 176.443 175.800 -0.055 0.000 1.109 493 F CA -0.482 57.529 58.000 0.020 0.000 1.335 493 F CB -0.332 38.643 39.000 -0.041 0.000 1.014 493 F HN 0.015 nan 8.300 nan 0.000 0.537 494 Q N 1.188 121.012 119.800 0.040 0.000 2.431 494 Q HA -0.219 4.120 4.340 -0.000 0.000 0.344 494 Q C -0.202 175.787 176.000 -0.017 0.000 1.384 494 Q CA 0.260 56.060 55.803 -0.006 0.000 0.984 494 Q CB -1.565 27.167 28.738 -0.009 0.000 1.204 494 Q HN 0.516 nan 8.270 nan 0.000 0.392 495 I N 0.438 121.002 120.570 -0.010 0.000 2.533 495 I HA -0.067 4.103 4.170 -0.000 0.000 0.284 495 I C 1.829 177.886 176.117 -0.100 0.000 1.109 495 I CA 0.149 61.419 61.300 -0.051 0.000 1.412 495 I CB 0.564 38.544 38.000 -0.034 0.000 1.396 495 I HN 0.325 nan 8.210 nan 0.000 0.543 496 R N 4.074 124.473 120.500 -0.168 0.000 2.083 496 R HA -0.067 4.273 4.340 -0.000 0.000 0.237 496 R C 0.108 175.997 176.300 -0.685 0.000 1.137 496 R CA 1.197 57.052 56.100 -0.409 0.000 0.951 496 R CB -0.087 29.969 30.300 -0.407 0.000 0.851 496 R HN 0.600 nan 8.270 nan 0.000 0.434 497 H N -1.809 117.281 119.070 0.033 0.000 3.012 497 H HA 0.289 4.845 4.556 -0.000 0.000 0.367 497 H C -1.178 174.167 175.328 0.029 0.000 1.211 497 H CA -0.847 55.232 56.048 0.052 0.000 1.139 497 H CB 1.904 31.694 29.762 0.047 0.000 1.838 497 H HN -0.211 nan 8.280 nan 0.000 0.550 498 V N 3.320 123.333 119.914 0.165 0.000 2.347 498 V HA 0.196 4.316 4.120 -0.000 0.000 0.280 498 V C 0.066 176.218 176.094 0.097 0.000 1.021 498 V CA -0.624 61.685 62.300 0.016 0.000 0.847 498 V CB 1.103 32.871 31.823 -0.091 0.000 0.990 498 V HN 0.763 nan 8.190 nan 0.000 0.444 499 D N 3.091 123.514 120.400 0.038 0.000 2.553 499 D HA 0.279 4.919 4.640 -0.000 0.000 0.249 499 D C 0.667 177.027 176.300 0.099 0.000 1.062 499 D CA -0.894 53.163 54.000 0.095 0.000 1.085 499 D CB 0.780 41.625 40.800 0.075 0.000 1.350 499 D HN 0.087 nan 8.370 nan 0.000 0.575 500 N N 0.202 118.905 118.700 0.006 0.000 2.060 500 N HA -0.177 4.563 4.740 -0.000 0.000 0.195 500 N C 1.004 176.416 175.510 -0.163 0.000 1.028 500 N CA 1.374 54.321 53.050 -0.171 0.000 0.861 500 N CB -0.384 37.600 38.487 -0.839 0.000 1.029 500 N HN 0.477 nan 8.380 nan 0.000 0.428 501 D N 0.544 120.859 120.400 -0.143 0.000 2.158 501 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 501 D C 2.121 178.227 176.300 -0.324 0.000 0.995 501 D CA 0.617 54.527 54.000 -0.150 0.000 0.846 501 D CB -0.164 40.573 40.800 -0.105 0.000 0.941 501 D HN 0.288 nan 8.370 nan 0.000 0.456 502 L N -0.500 120.519 121.223 -0.341 0.000 2.056 502 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 502 L C 2.473 179.110 176.870 -0.388 0.000 1.078 502 L CA 0.745 55.323 54.840 -0.436 0.000 0.749 502 L CB -0.415 41.373 42.059 -0.451 0.000 0.901 502 L HN -0.031 nan 8.230 nan 0.000 0.433 503 F N -0.439 119.396 119.950 -0.191 0.000 2.134 503 F HA -0.235 4.292 4.527 -0.000 0.000 0.299 503 F C 2.258 177.997 175.800 -0.101 0.000 1.097 503 F CA 0.928 58.844 58.000 -0.140 0.000 1.264 503 F CB -0.343 38.584 39.000 -0.123 0.000 1.001 503 F HN -0.050 nan 8.300 nan 0.000 0.479 504 L N -0.228 121.029 121.223 0.056 0.000 2.079 504 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 504 L C 2.318 179.178 176.870 -0.015 0.000 1.081 504 L CA 1.381 56.239 54.840 0.030 0.000 0.752 504 L CB -0.986 41.090 42.059 0.028 0.000 0.896 504 L HN 0.197 nan 8.230 nan 0.000 0.433 505 L N -1.109 120.052 121.223 -0.104 0.000 2.093 505 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 505 L C 2.471 179.300 176.870 -0.069 0.000 1.085 505 L CA 1.442 56.211 54.840 -0.118 0.000 0.755 505 L CB -0.273 41.641 42.059 -0.241 0.000 0.904 505 L HN 0.235 nan 8.230 nan 0.000 0.435 506 A N -0.062 122.714 122.820 -0.074 0.000 1.898 506 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 506 A C 2.457 180.061 177.584 0.033 0.000 1.181 506 A CA 1.446 53.464 52.037 -0.031 0.000 0.620 506 A CB -0.877 18.094 19.000 -0.047 0.000 0.819 506 A HN 0.584 nan 8.150 nan 0.000 0.442 507 A N 0.096 122.953 122.820 0.061 0.000 1.908 507 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 507 A C 2.094 179.711 177.584 0.054 0.000 1.181 507 A CA 1.907 53.996 52.037 0.086 0.000 0.627 507 A CB -0.452 18.608 19.000 0.100 0.000 0.818 507 A HN 0.542 nan 8.150 nan 0.000 0.445 508 K N -0.667 119.753 120.400 0.033 0.000 2.148 508 K HA -0.137 4.183 4.320 -0.000 0.000 0.204 508 K C 2.114 178.724 176.600 0.018 0.000 1.050 508 K CA 1.471 57.773 56.287 0.024 0.000 0.942 508 K CB -0.054 32.458 32.500 0.019 0.000 0.724 508 K HN 0.340 nan 8.250 nan 0.000 0.446 509 K N 1.151 121.560 120.400 0.016 0.000 2.031 509 K HA -0.064 4.256 4.320 -0.000 0.000 0.205 509 K C 1.770 178.381 176.600 0.019 0.000 1.049 509 K CA 1.070 57.367 56.287 0.016 0.000 0.939 509 K CB -0.283 32.224 32.500 0.012 0.000 0.717 509 K HN -0.117 nan 8.250 nan 0.000 0.438 510 V N 1.262 121.193 119.914 0.028 0.000 2.287 510 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 510 V C 2.376 178.460 176.094 -0.016 0.000 1.053 510 V CA 2.053 64.363 62.300 0.016 0.000 1.027 510 V CB -1.054 30.795 31.823 0.044 0.000 0.646 510 V HN 0.483 nan 8.190 nan 0.000 0.447 511 A N 0.917 123.731 122.820 -0.010 0.000 1.908 511 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 511 A C 2.522 180.093 177.584 -0.021 0.000 1.181 511 A CA 2.544 54.562 52.037 -0.032 0.000 0.627 511 A CB -0.858 18.134 19.000 -0.013 0.000 0.818 511 A HN 0.724 nan 8.150 nan 0.000 0.445 512 S N -1.563 114.135 115.700 -0.004 0.000 2.447 512 S HA -0.131 4.339 4.470 -0.000 0.000 0.233 512 S C 1.496 176.098 174.600 0.002 0.000 1.006 512 S CA 1.194 59.396 58.200 0.003 0.000 0.957 512 S CB -1.072 62.134 63.200 0.011 0.000 0.773 512 S HN 0.528 nan 8.310 nan 0.000 0.507 513 C N 2.046 121.346 119.300 0.000 0.000 2.613 513 C HA 0.413 4.873 4.460 -0.000 0.000 0.273 513 C C 0.742 175.732 174.990 -0.000 0.000 1.304 513 C CA -0.692 58.330 59.018 0.006 0.000 1.702 513 C CB -1.496 26.254 27.740 0.016 0.000 1.792 513 C HN 0.402 nan 8.230 nan 0.000 0.588 514 V N 2.976 122.882 119.914 -0.014 0.000 2.427 514 V HA 0.208 4.328 4.120 -0.000 0.000 0.268 514 V C 1.012 177.105 176.094 -0.002 0.000 1.046 514 V CA 0.127 62.417 62.300 -0.016 0.000 0.970 514 V CB 0.480 32.279 31.823 -0.041 0.000 1.001 514 V HN 0.589 nan 8.190 nan 0.000 0.476 515 T N 1.271 115.829 114.554 0.007 0.000 2.813 515 T HA 0.142 4.491 4.350 -0.000 0.000 0.297 515 T C 1.070 175.774 174.700 0.007 0.000 1.036 515 T CA -0.034 62.071 62.100 0.009 0.000 1.044 515 T CB 1.194 70.070 68.868 0.012 0.000 0.993 515 T HN 0.650 nan 8.240 nan 0.000 0.535 516 E N 0.669 120.872 120.200 0.005 0.000 2.077 516 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 516 E C 1.562 178.162 176.600 0.000 0.000 0.989 516 E CA 1.738 58.139 56.400 0.003 0.000 0.800 516 E CB -0.519 29.182 29.700 0.001 0.000 0.746 516 E HN 0.722 nan 8.360 nan 0.000 0.452 517 D N -0.162 120.237 120.400 -0.002 0.000 2.123 517 D HA -0.134 4.506 4.640 -0.000 0.000 0.196 517 D C 1.994 178.294 176.300 -0.001 0.000 0.992 517 D CA 1.472 55.468 54.000 -0.007 0.000 0.833 517 D CB -0.375 40.421 40.800 -0.006 0.000 0.954 517 D HN 0.148 nan 8.370 nan 0.000 0.455 518 S N 0.515 116.223 115.700 0.013 0.000 2.382 518 S HA -0.116 4.354 4.470 -0.000 0.000 0.228 518 S C 1.897 176.515 174.600 0.031 0.000 1.027 518 S CA 0.298 58.515 58.200 0.029 0.000 0.991 518 S CB -0.164 63.059 63.200 0.039 0.000 0.823 518 S HN 0.106 nan 8.310 nan 0.000 0.469 519 L N 2.417 123.653 121.223 0.021 0.000 2.093 519 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 519 L C 2.221 179.104 176.870 0.022 0.000 1.085 519 L CA 1.626 56.482 54.840 0.027 0.000 0.755 519 L CB -0.570 41.500 42.059 0.018 0.000 0.904 519 L HN 0.350 nan 8.230 nan 0.000 0.435 520 K N -1.760 118.638 120.400 -0.002 0.000 2.283 520 K HA -0.045 4.275 4.320 -0.000 0.000 0.202 520 K C 1.073 177.634 176.600 -0.065 0.000 1.048 520 K CA 1.375 57.645 56.287 -0.027 0.000 0.948 520 K CB -0.281 32.194 32.500 -0.042 0.000 0.742 520 K HN 0.217 nan 8.250 nan 0.000 0.458 521 V N 0.987 120.874 119.914 -0.044 0.000 3.514 521 V HA 0.206 4.326 4.120 -0.000 0.000 0.301 521 V C 1.192 177.299 176.094 0.022 0.000 1.346 521 V CA 0.394 62.650 62.300 -0.073 0.000 1.156 521 V CB -0.192 31.615 31.823 -0.027 0.000 1.029 521 V HN 0.667 nan 8.190 nan 0.000 0.428 522 G N 1.640 110.486 108.800 0.076 0.000 2.162 522 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.260 522 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.260 522 G C 0.428 175.464 174.900 0.226 0.000 0.976 522 G CA 0.483 45.699 45.100 0.193 0.000 0.655 522 G HN 0.580 nan 8.290 nan 0.000 0.533 523 R N 0.264 120.860 120.500 0.160 0.000 2.216 523 R HA 0.487 4.827 4.340 -0.000 0.000 0.332 523 R C 1.443 177.794 176.300 0.085 0.000 1.056 523 R CA 0.166 56.362 56.100 0.160 0.000 0.901 523 R CB 0.753 31.141 30.300 0.147 0.000 1.039 523 R HN 0.582 nan 8.270 nan 0.000 0.456 524 V N 1.952 121.888 119.914 0.037 0.000 3.249 524 V HA 0.358 4.477 4.120 -0.000 0.000 0.338 524 V C -0.711 175.124 176.094 -0.432 0.000 1.363 524 V CA -0.295 61.916 62.300 -0.148 0.000 1.205 524 V CB -0.965 30.767 31.823 -0.151 0.000 1.164 524 V HN 0.598 nan 8.190 nan 0.000 0.458 525 Y N -0.477 119.791 120.300 -0.052 0.000 2.524 525 Y HA 0.701 5.251 4.550 -0.000 0.000 0.347 525 Y C -2.527 173.258 175.900 -0.191 0.000 1.005 525 Y CA -2.494 55.473 58.100 -0.223 0.000 1.025 525 Y CB 2.361 40.653 38.460 -0.280 0.000 1.275 525 Y HN 0.019 nan 8.280 nan 0.000 0.460 526 P HA 0.092 nan 4.420 nan 0.000 0.274 526 P C -1.176 176.213 177.300 0.149 0.000 1.260 526 P CA -0.478 62.617 63.100 -0.007 0.000 0.793 526 P CB 0.528 32.214 31.700 -0.025 0.000 1.048 527 Q N 0.028 119.925 119.800 0.161 0.000 2.352 527 Q HA 0.125 4.465 4.340 -0.000 0.000 0.260 527 Q C 1.243 177.391 176.000 0.248 0.000 0.976 527 Q CA -0.217 55.697 55.803 0.186 0.000 0.881 527 Q CB 0.314 29.119 28.738 0.112 0.000 1.235 527 Q HN 0.368 nan 8.270 nan 0.000 0.419 528 L N 2.609 123.957 121.223 0.209 0.000 2.129 528 L HA -0.270 4.070 4.340 -0.000 0.000 0.212 528 L C 2.207 179.109 176.870 0.053 0.000 1.087 528 L CA 1.662 56.557 54.840 0.092 0.000 0.757 528 L CB -0.518 41.545 42.059 0.007 0.000 0.896 528 L HN 0.685 nan 8.230 nan 0.000 0.434 529 K N -0.802 119.633 120.400 0.058 0.000 2.504 529 K HA -0.097 4.223 4.320 -0.000 0.000 0.195 529 K C 1.223 177.846 176.600 0.037 0.000 1.036 529 K CA 0.809 57.113 56.287 0.028 0.000 0.984 529 K CB 0.050 32.560 32.500 0.017 0.000 0.788 529 K HN 0.190 nan 8.250 nan 0.000 0.488 530 E N 0.965 121.209 120.200 0.073 0.000 2.479 530 E HA 0.109 4.459 4.350 -0.000 0.000 0.193 530 E C 1.586 178.232 176.600 0.075 0.000 1.049 530 E CA 0.055 56.497 56.400 0.070 0.000 0.870 530 E CB 0.063 29.813 29.700 0.083 0.000 0.944 530 E HN 0.432 nan 8.360 nan 0.000 0.492 531 I N 0.538 121.152 120.570 0.073 0.000 2.286 531 I HA -0.278 3.892 4.170 -0.000 0.000 0.248 531 I C 2.514 178.637 176.117 0.011 0.000 1.115 531 I CA 1.021 62.350 61.300 0.049 0.000 1.392 531 I CB -0.164 37.819 38.000 -0.028 0.000 1.065 531 I HN 0.032 nan 8.210 nan 0.000 0.418 532 R N 0.414 120.915 120.500 0.002 0.000 2.091 532 R HA -0.238 4.102 4.340 -0.000 0.000 0.238 532 R C 2.278 178.584 176.300 0.010 0.000 1.136 532 R CA 1.776 57.875 56.100 -0.002 0.000 0.959 532 R CB -0.255 30.043 30.300 -0.004 0.000 0.856 532 R HN 0.247 nan 8.270 nan 0.000 0.437 533 E N 0.967 121.179 120.200 0.020 0.000 2.072 533 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 533 E C 1.791 178.411 176.600 0.033 0.000 0.985 533 E CA 1.119 57.534 56.400 0.026 0.000 0.801 533 E CB -0.152 29.564 29.700 0.027 0.000 0.750 533 E HN 0.277 nan 8.360 nan 0.000 0.452 534 I N 0.180 120.774 120.570 0.040 0.000 2.208 534 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 534 I C 2.219 178.354 176.117 0.031 0.000 1.097 534 I CA 1.250 62.577 61.300 0.045 0.000 1.363 534 I CB -0.358 37.687 38.000 0.075 0.000 1.051 534 I HN 0.060 nan 8.210 nan 0.000 0.413 535 S N 0.959 116.669 115.700 0.016 0.000 2.370 535 S HA -0.148 4.322 4.470 -0.000 0.000 0.226 535 S C 2.013 176.627 174.600 0.025 0.000 1.033 535 S CA 1.332 59.532 58.200 0.001 0.000 1.011 535 S CB -0.339 62.847 63.200 -0.023 0.000 0.852 535 S HN 0.348 nan 8.310 nan 0.000 0.457 536 I N 1.417 122.007 120.570 0.034 0.000 2.226 536 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 536 I C 2.660 178.818 176.117 0.068 0.000 1.100 536 I CA 0.978 62.312 61.300 0.056 0.000 1.374 536 I CB -0.262 37.766 38.000 0.047 0.000 1.057 536 I HN 0.245 nan 8.210 nan 0.000 0.413 537 Q N 0.358 120.189 119.800 0.050 0.000 2.119 537 Q HA -0.104 4.236 4.340 -0.000 0.000 0.201 537 Q C 2.332 178.354 176.000 0.037 0.000 0.972 537 Q CA 1.493 57.324 55.803 0.046 0.000 0.847 537 Q CB -0.161 28.599 28.738 0.037 0.000 0.903 537 Q HN 0.571 nan 8.270 nan 0.000 0.433 538 I N 0.473 121.058 120.570 0.026 0.000 2.252 538 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 538 I C 2.303 178.426 176.117 0.010 0.000 1.102 538 I CA 0.948 62.250 61.300 0.002 0.000 1.385 538 I CB -0.409 37.582 38.000 -0.015 0.000 1.064 538 I HN 0.059 nan 8.210 nan 0.000 0.414 539 A N 0.523 123.380 122.820 0.062 0.000 1.877 539 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 539 A C 2.432 180.091 177.584 0.125 0.000 1.186 539 A CA 1.744 53.871 52.037 0.151 0.000 0.620 539 A CB -0.976 18.169 19.000 0.241 0.000 0.822 539 A HN 0.235 nan 8.150 nan 0.000 0.443 540 V N -0.082 119.899 119.914 0.111 0.000 2.295 540 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 540 V C 2.628 178.696 176.094 -0.044 0.000 1.049 540 V CA 2.465 64.792 62.300 0.045 0.000 1.024 540 V CB -0.707 31.169 31.823 0.087 0.000 0.648 540 V HN 0.667 nan 8.190 nan 0.000 0.447 541 E N -0.131 120.061 120.200 -0.014 0.000 2.077 541 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 541 E C 2.144 178.721 176.600 -0.037 0.000 0.989 541 E CA 1.675 58.066 56.400 -0.015 0.000 0.800 541 E CB -0.324 29.371 29.700 -0.009 0.000 0.746 541 E HN 0.536 nan 8.360 nan 0.000 0.452 542 M N -0.614 118.939 119.600 -0.078 0.000 2.117 542 M HA -0.152 4.328 4.480 -0.000 0.000 0.262 542 M C 2.257 178.456 176.300 -0.167 0.000 1.065 542 M CA 1.609 56.849 55.300 -0.101 0.000 1.114 542 M CB -0.270 32.268 32.600 -0.103 0.000 1.361 542 M HN 0.213 nan 8.290 nan 0.000 0.408 543 A N 0.646 123.228 122.820 -0.395 0.000 1.883 543 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 543 A C 2.080 179.547 177.584 -0.196 0.000 1.186 543 A CA 1.915 53.550 52.037 -0.671 0.000 0.624 543 A CB -0.600 17.547 19.000 -1.422 0.000 0.822 543 A HN 0.430 nan 8.150 nan 0.000 0.444 544 K N -1.812 118.542 120.400 -0.077 0.000 2.044 544 K HA -0.212 4.108 4.320 -0.000 0.000 0.210 544 K C 2.019 178.650 176.600 0.050 0.000 1.049 544 K CA 1.950 58.257 56.287 0.033 0.000 0.927 544 K CB -0.437 32.081 32.500 0.030 0.000 0.713 544 K HN 0.625 nan 8.250 nan 0.000 0.443 545 Y N 0.881 121.140 120.300 -0.069 0.000 2.181 545 Y HA -0.283 4.267 4.550 -0.000 0.000 0.288 545 Y C 2.197 178.054 175.900 -0.072 0.000 1.146 545 Y CA 1.332 59.399 58.100 -0.055 0.000 1.164 545 Y CB -0.190 38.231 38.460 -0.064 0.000 0.982 545 Y HN 0.068 nan 8.280 nan 0.000 0.515 546 C N -0.800 118.505 119.300 0.008 0.000 2.468 546 C HA -0.082 4.378 4.460 -0.000 0.000 0.277 546 C C 2.342 177.198 174.990 -0.223 0.000 1.400 546 C CA 0.571 59.515 59.018 -0.124 0.000 1.770 546 C CB -1.598 26.035 27.740 -0.179 0.000 1.905 546 C HN 0.621 nan 8.230 nan 0.000 0.519 547 Y N 1.062 121.312 120.300 -0.083 0.000 2.395 547 Y HA -0.073 4.477 4.550 -0.000 0.000 0.293 547 Y C 2.517 178.370 175.900 -0.078 0.000 1.123 547 Y CA 1.008 59.069 58.100 -0.065 0.000 1.227 547 Y CB -0.069 38.347 38.460 -0.073 0.000 1.012 547 Y HN 0.286 nan 8.280 nan 0.000 0.552 548 K N 0.372 120.775 120.400 0.006 0.000 2.062 548 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 548 K C 1.188 177.720 176.600 -0.113 0.000 1.051 548 K CA 1.630 57.877 56.287 -0.067 0.000 0.941 548 K CB -0.343 32.074 32.500 -0.137 0.000 0.719 548 K HN 0.574 nan 8.250 nan 0.000 0.440 549 N N -0.584 118.000 118.700 -0.193 0.000 2.270 549 N HA 0.020 4.760 4.740 -0.000 0.000 0.198 549 N C 0.357 175.824 175.510 -0.071 0.000 1.117 549 N CA 0.222 53.179 53.050 -0.156 0.000 0.845 549 N CB 0.583 38.929 38.487 -0.236 0.000 0.980 549 N HN 0.057 nan 8.380 nan 0.000 0.486 550 G N 1.206 109.981 108.800 -0.042 0.000 2.333 550 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.296 550 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.296 550 G C 0.478 175.362 174.900 -0.026 0.000 1.059 550 G CA 0.745 45.843 45.100 -0.005 0.000 1.050 550 G HN 0.592 nan 8.290 nan 0.000 0.508 551 T N -3.935 110.578 114.554 -0.069 0.000 3.043 551 T HA 0.660 5.010 4.350 -0.000 0.000 0.272 551 T C 0.907 175.540 174.700 -0.111 0.000 0.990 551 T CA 0.992 63.058 62.100 -0.057 0.000 0.897 551 T CB 1.044 69.905 68.868 -0.011 0.000 1.111 551 T HN 1.637 nan 8.240 nan 0.000 0.529 552 A N 1.464 124.156 122.820 -0.213 0.000 2.260 552 A HA 0.612 4.932 4.320 -0.000 0.000 0.312 552 A C 0.756 178.282 177.584 -0.096 0.000 1.321 552 A CA -0.701 51.164 52.037 -0.287 0.000 0.928 552 A CB 0.107 18.570 19.000 -0.895 0.000 1.158 552 A HN 0.220 nan 8.150 nan 0.000 0.542 553 N N 0.848 119.538 118.700 -0.016 0.000 2.512 553 N HA -0.020 4.720 4.740 -0.000 0.000 0.183 553 N C 0.467 176.058 175.510 0.136 0.000 1.073 553 N CA 0.216 53.295 53.050 0.048 0.000 0.911 553 N CB -0.228 38.264 38.487 0.008 0.000 0.964 553 N HN 0.676 nan 8.380 nan 0.000 0.447 554 L N 1.209 122.533 121.223 0.169 0.000 2.534 554 L HA 0.094 4.434 4.340 -0.000 0.000 0.271 554 L C -0.937 176.135 176.870 0.337 0.000 1.178 554 L CA 0.190 55.162 54.840 0.220 0.000 0.907 554 L CB -0.310 41.890 42.059 0.235 0.000 1.164 554 L HN 0.101 nan 8.230 nan 0.000 0.482 555 Y N 7.265 127.627 120.300 0.104 0.000 2.391 555 Y HA 0.716 5.266 4.550 0.000 0.000 0.341 555 Y C -2.184 173.731 175.900 0.026 0.000 0.965 555 Y CA -1.821 56.325 58.100 0.078 0.000 1.067 555 Y CB 1.026 39.523 38.460 0.061 0.000 1.199 555 Y HN 0.708 nan 8.280 nan 0.000 0.450 556 P HA 0.227 nan 4.420 nan 0.000 0.287 556 P C -1.404 175.683 177.300 -0.356 0.000 1.296 556 P CA -0.828 61.782 63.100 -0.816 0.000 0.811 556 P CB 1.030 32.157 31.700 -0.956 0.000 1.211 557 Q N 1.160 120.696 119.800 -0.440 0.000 2.263 557 Q HA 0.098 4.438 4.340 -0.000 0.000 0.289 557 Q C -1.760 174.002 176.000 -0.396 0.000 1.061 557 Q CA -1.254 54.114 55.803 -0.725 0.000 0.927 557 Q CB 0.054 28.127 28.738 -1.109 0.000 1.154 557 Q HN 0.225 nan 8.270 nan 0.000 0.378 558 P HA -0.057 nan 4.420 nan 0.000 0.269 558 P C -0.215 177.049 177.300 -0.061 0.000 1.209 558 P CA 0.246 63.222 63.100 -0.207 0.000 0.776 558 P CB 0.765 32.173 31.700 -0.487 0.000 0.876 559 E N 0.441 120.680 120.200 0.064 0.000 2.070 559 E HA -0.189 4.161 4.350 -0.000 0.000 0.197 559 E C 0.398 177.061 176.600 0.105 0.000 1.004 559 E CA 1.281 57.717 56.400 0.060 0.000 0.805 559 E CB 0.092 29.830 29.700 0.064 0.000 0.744 559 E HN 0.501 nan 8.360 nan 0.000 0.451 560 D N -0.577 119.969 120.400 0.244 0.000 2.446 560 D HA 0.106 4.746 4.640 -0.000 0.000 0.251 560 D C 0.922 177.388 176.300 0.276 0.000 1.137 560 D CA -0.137 54.010 54.000 0.245 0.000 0.890 560 D CB 0.806 41.784 40.800 0.296 0.000 1.071 560 D HN -0.005 nan 8.370 nan 0.000 0.528 561 L N 2.097 123.440 121.223 0.201 0.000 2.013 561 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 561 L C 2.339 179.400 176.870 0.318 0.000 1.073 561 L CA 1.257 56.266 54.840 0.281 0.000 0.753 561 L CB -0.173 41.995 42.059 0.180 0.000 0.890 561 L HN 0.469 nan 8.230 nan 0.000 0.432 562 E N 0.419 120.752 120.200 0.222 0.000 2.072 562 E HA -0.228 4.122 4.350 -0.000 0.000 0.191 562 E C 2.207 178.919 176.600 0.187 0.000 0.985 562 E CA 1.145 57.656 56.400 0.184 0.000 0.801 562 E CB 0.134 29.914 29.700 0.133 0.000 0.750 562 E HN 0.388 nan 8.360 nan 0.000 0.452 563 K N -0.340 120.202 120.400 0.238 0.000 2.097 563 K HA -0.194 4.126 4.320 -0.000 0.000 0.206 563 K C 2.155 178.915 176.600 0.268 0.000 1.049 563 K CA 1.344 57.803 56.287 0.286 0.000 0.933 563 K CB -0.316 32.417 32.500 0.389 0.000 0.717 563 K HN 0.226 nan 8.250 nan 0.000 0.442 564 Y N 1.687 121.984 120.300 -0.005 0.000 2.114 564 Y HA -0.250 4.300 4.550 -0.000 0.000 0.284 564 Y C 1.978 177.786 175.900 -0.154 0.000 1.143 564 Y CA 1.162 59.010 58.100 -0.419 0.000 1.135 564 Y CB -0.487 37.649 38.460 -0.540 0.000 0.980 564 Y HN -0.262 nan 8.280 nan 0.000 0.499 565 V N 1.285 121.140 119.914 -0.099 0.000 2.287 565 V HA -0.347 3.773 4.120 -0.000 0.000 0.248 565 V C 2.423 178.438 176.094 -0.131 0.000 1.053 565 V CA 2.450 64.657 62.300 -0.155 0.000 1.027 565 V CB -0.723 31.164 31.823 0.106 0.000 0.646 565 V HN 0.359 nan 8.190 nan 0.000 0.447 566 R N 0.120 120.606 120.500 -0.024 0.000 2.200 566 R HA -0.094 4.246 4.340 -0.000 0.000 0.234 566 R C 2.200 178.485 176.300 -0.025 0.000 1.127 566 R CA 1.306 57.404 56.100 -0.003 0.000 0.989 566 R CB -0.445 29.884 30.300 0.048 0.000 0.869 566 R HN 0.564 nan 8.270 nan 0.000 0.459 567 A N 0.351 123.137 122.820 -0.057 0.000 2.123 567 A HA -0.046 4.274 4.320 -0.000 0.000 0.214 567 A C 1.745 179.259 177.584 -0.117 0.000 1.152 567 A CA 0.568 52.580 52.037 -0.042 0.000 0.728 567 A CB 0.185 19.203 19.000 0.029 0.000 0.814 567 A HN 0.120 nan 8.150 nan 0.000 0.464 568 Q N -0.069 119.600 119.800 -0.218 0.000 2.297 568 Q HA 0.083 4.423 4.340 -0.000 0.000 0.203 568 Q C 1.138 177.080 176.000 -0.097 0.000 0.931 568 Q CA 0.857 56.553 55.803 -0.180 0.000 0.885 568 Q CB -1.039 27.513 28.738 -0.310 0.000 0.991 568 Q HN 0.594 nan 8.270 nan 0.000 0.498 569 V N -0.361 119.503 119.914 -0.083 0.000 2.999 569 V HA -0.002 4.118 4.120 -0.000 0.000 0.307 569 V C 0.330 176.401 176.094 -0.039 0.000 1.084 569 V CA -0.857 61.415 62.300 -0.047 0.000 1.155 569 V CB -0.261 31.546 31.823 -0.026 0.000 0.975 569 V HN 0.156 nan 8.190 nan 0.000 0.490 570 Y N 3.858 124.043 120.300 -0.191 0.000 2.610 570 Y HA 0.270 4.820 4.550 -0.000 0.000 0.332 570 Y C 0.398 176.216 175.900 -0.138 0.000 1.201 570 Y CA 0.204 58.181 58.100 -0.205 0.000 1.465 570 Y CB 0.397 38.694 38.460 -0.271 0.000 1.283 570 Y HN 1.036 nan 8.280 nan 0.000 0.563 571 N N 2.747 121.054 118.700 -0.656 0.000 2.417 571 N HA 0.161 4.901 4.740 -0.000 0.000 0.274 571 N C 0.265 175.265 175.510 -0.850 0.000 0.987 571 N CA 0.006 52.726 53.050 -0.550 0.000 0.912 571 N CB 1.263 39.563 38.487 -0.310 0.000 1.177 571 N HN 0.664 nan 8.380 nan 0.000 0.490 572 T N -0.159 114.065 114.554 -0.550 0.000 3.085 572 T HA -0.080 4.270 4.350 -0.000 0.000 0.263 572 T C 0.515 175.030 174.700 -0.308 0.000 1.127 572 T CA 0.345 62.211 62.100 -0.389 0.000 1.103 572 T CB -0.571 68.200 68.868 -0.162 0.000 0.921 572 T HN 0.717 nan 8.240 nan 0.000 0.510 573 E N 0.672 120.707 120.200 -0.276 0.000 2.366 573 E HA 0.140 4.490 4.350 -0.000 0.000 0.266 573 E C -0.940 175.580 176.600 -0.134 0.000 1.051 573 E CA -0.988 55.271 56.400 -0.236 0.000 0.884 573 E CB 0.349 29.960 29.700 -0.150 0.000 1.006 573 E HN 0.531 nan 8.360 nan 0.000 0.417 574 Y N 1.262 121.516 120.300 -0.077 0.000 2.683 574 Y HA -0.012 4.538 4.550 -0.000 0.000 0.340 574 Y C 0.782 176.649 175.900 -0.054 0.000 1.245 574 Y CA 0.024 58.082 58.100 -0.069 0.000 1.485 574 Y CB 0.626 39.042 38.460 -0.074 0.000 1.328 574 Y HN 0.558 nan 8.280 nan 0.000 0.603 575 E N 0.912 121.194 120.200 0.137 0.000 2.339 575 E HA 0.211 4.561 4.350 -0.000 0.000 0.262 575 E C -1.057 175.581 176.600 0.062 0.000 0.934 575 E CA -1.153 55.281 56.400 0.056 0.000 0.802 575 E CB 1.246 30.950 29.700 0.008 0.000 1.275 575 E HN 0.462 nan 8.360 nan 0.000 0.427 576 E N 1.260 121.483 120.200 0.039 0.000 2.373 576 E HA 0.076 4.426 4.350 -0.000 0.000 0.267 576 E C 0.279 176.913 176.600 0.057 0.000 1.032 576 E CA 0.275 56.712 56.400 0.060 0.000 0.889 576 E CB 0.783 30.514 29.700 0.051 0.000 0.984 576 E HN 0.440 nan 8.360 nan 0.000 0.425 577 L N 2.552 123.826 121.223 0.084 0.000 2.766 577 L HA 0.334 4.674 4.340 -0.000 0.000 0.242 577 L C 0.481 177.374 176.870 0.038 0.000 1.136 577 L CA 0.077 54.962 54.840 0.075 0.000 0.933 577 L CB 0.286 42.420 42.059 0.124 0.000 1.241 577 L HN 0.302 nan 8.230 nan 0.000 0.522 578 I N 0.035 120.619 120.570 0.023 0.000 2.441 578 I HA 0.174 4.344 4.170 -0.000 0.000 0.295 578 I C -0.151 175.959 176.117 -0.011 0.000 0.994 578 I CA -0.717 60.560 61.300 -0.037 0.000 1.144 578 I CB 1.627 39.559 38.000 -0.114 0.000 1.314 578 I HN 0.013 nan 8.210 nan 0.000 0.445 579 N N 3.835 122.521 118.700 -0.023 0.000 2.356 579 N HA 0.180 4.920 4.740 -0.000 0.000 0.252 579 N C -0.166 175.371 175.510 0.045 0.000 1.241 579 N CA 0.123 53.189 53.050 0.027 0.000 0.861 579 N CB 0.571 39.059 38.487 0.002 0.000 1.075 579 N HN 0.704 nan 8.380 nan 0.000 0.461 580 A N 1.686 124.588 122.820 0.136 0.000 2.401 580 A HA 0.438 4.758 4.320 -0.000 0.000 0.259 580 A C 0.469 178.125 177.584 0.120 0.000 1.103 580 A CA -0.465 51.662 52.037 0.149 0.000 0.789 580 A CB 0.050 19.193 19.000 0.239 0.000 1.035 580 A HN 0.664 nan 8.150 nan 0.000 0.491 581 T N -0.201 114.396 114.554 0.071 0.000 2.918 581 T HA 0.738 5.088 4.350 -0.000 0.000 0.286 581 T C -0.645 174.114 174.700 0.098 0.000 1.026 581 T CA -0.460 61.645 62.100 0.007 0.000 1.031 581 T CB 1.098 69.917 68.868 -0.082 0.000 1.046 581 T HN 1.160 nan 8.240 nan 0.000 0.479 582 Y N -1.194 119.074 120.300 -0.054 0.000 2.544 582 Y HA 0.682 5.232 4.550 -0.000 0.000 0.342 582 Y C -0.975 174.923 175.900 -0.004 0.000 1.062 582 Y CA -1.441 56.641 58.100 -0.029 0.000 1.023 582 Y CB 0.833 39.287 38.460 -0.010 0.000 1.308 582 Y HN 0.471 nan 8.280 nan 0.000 0.457 583 D N 1.145 121.641 120.400 0.161 0.000 2.358 583 D HA 0.130 4.770 4.640 -0.000 0.000 0.244 583 D C -0.994 175.555 176.300 0.416 0.000 1.163 583 D CA 0.508 54.600 54.000 0.154 0.000 0.945 583 D CB 0.840 41.725 40.800 0.143 0.000 1.152 583 D HN 0.557 nan 8.370 nan 0.000 0.451 584 W N -0.191 121.142 121.300 0.055 0.000 2.850 584 W HA 0.349 5.009 4.660 -0.000 0.000 0.349 584 W C -2.001 174.522 176.519 0.006 0.000 1.133 584 W CA -2.196 55.178 57.345 0.049 0.000 1.117 584 W CB -0.277 29.173 29.460 -0.016 0.000 1.442 584 W HN 0.105 nan 8.180 nan 0.000 0.575 585 P HA -0.074 nan 4.420 nan 0.000 0.265 585 P C 0.923 178.250 177.300 0.046 0.000 1.187 585 P CA 0.555 63.604 63.100 -0.085 0.000 0.766 585 P CB 0.657 32.258 31.700 -0.165 0.000 0.820 586 E N 2.660 122.881 120.200 0.036 0.000 2.048 586 E HA -0.383 3.967 4.350 -0.000 0.000 0.202 586 E C 1.647 178.273 176.600 0.042 0.000 1.021 586 E CA 1.600 58.034 56.400 0.056 0.000 0.825 586 E CB -0.165 29.566 29.700 0.051 0.000 0.756 586 E HN 0.347 nan 8.360 nan 0.000 0.454 587 Q N 0.634 120.446 119.800 0.020 0.000 2.268 587 Q HA -0.192 4.148 4.340 -0.000 0.000 0.210 587 Q C 0.827 176.843 176.000 0.028 0.000 0.988 587 Q CA 2.114 57.926 55.803 0.016 0.000 0.883 587 Q CB -0.041 28.695 28.738 -0.002 0.000 0.911 587 Q HN 0.345 nan 8.270 nan 0.000 0.430 588 D N -1.476 118.957 120.400 0.056 0.000 2.340 588 D HA 0.090 4.730 4.640 -0.000 0.000 0.217 588 D C 0.712 177.118 176.300 0.176 0.000 1.081 588 D CA 0.289 54.358 54.000 0.115 0.000 0.842 588 D CB 0.229 41.100 40.800 0.119 0.000 0.934 588 D HN 0.451 nan 8.370 nan 0.000 0.511 589 M N 0.047 119.694 119.600 0.078 0.000 2.331 589 M HA 0.117 4.597 4.480 -0.000 0.000 0.266 589 M C 0.469 176.682 176.300 -0.145 0.000 1.055 589 M CA -0.208 55.068 55.300 -0.040 0.000 1.048 589 M CB 0.741 33.324 32.600 -0.027 0.000 1.460 589 M HN -0.157 nan 8.290 nan 0.000 0.519 590 R N 1.210 121.671 120.500 -0.065 0.000 2.538 590 R HA 0.123 4.462 4.340 -0.000 0.000 0.282 590 R C -0.641 175.582 176.300 -0.128 0.000 1.009 590 R CA 0.239 56.312 56.100 -0.045 0.000 1.063 590 R CB 0.246 30.550 30.300 0.006 0.000 0.945 590 R HN 0.221 nan 8.270 nan 0.000 0.414 591 H N 1.078 120.130 119.070 -0.029 0.000 2.509 591 H HA 0.347 4.903 4.556 -0.000 0.000 0.359 591 H C 0.991 176.288 175.328 -0.053 0.000 1.253 591 H CA 0.755 56.771 56.048 -0.053 0.000 1.373 591 H CB 1.417 31.146 29.762 -0.054 0.000 1.555 591 H HN 0.946 nan 8.280 nan 0.000 0.586 592 G N 0.291 109.107 108.800 0.027 0.000 2.860 592 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.553 592 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.553 592 G C -0.396 174.444 174.900 -0.100 0.000 1.439 592 G CA -0.383 44.687 45.100 -0.050 0.000 0.879 592 G HN 0.402 nan 8.290 nan 0.000 0.545 593 F N 0.000 119.968 119.950 0.030 0.000 2.286 593 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 593 F CA 0.000 58.012 58.000 0.020 0.000 1.383 593 F CB 0.000 39.010 39.000 0.016 0.000 1.145 593 F HN 0.000 nan 8.300 nan 0.000 0.574