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 1on9_1_C DATA FIRST_RESID 8 DATA SEQUENCE KLASTMEGRV EQLAEQRQVI EAGGGERRVE KQHSQGKQTA RERLNNLLDP DATA SEQUENCE HSFDEVGAFR KHRTTLFGMD KAVVPADGVV TGRGTILGRP VHAASQDFTV DATA SEQUENCE MGGSAGETQS TKVVETMEQA LLTGTPFLFF YDSGGARIQE GIDSLSGYGK DATA SEQUENCE MFFANVKLSG VVPQIAIIAG PCAGGASYSP ALTDFIIMTK KAHMFITGPQ DATA SEQUENCE VIKSVTGEDV TADELGGAEA HMAISGNIHF VAEDDDAAEL IAKKLLSFLP DATA SEQUENCE QNNTEEASFV NPNNDVSPNT ELRDIVPIDG KKGYDVRDVI AKIVDWGDYL DATA SEQUENCE EVKAGYATNL VTAFARVNGR SVGIVANQPS VMSGCLDINA SDKAAEFVNF DATA SEQUENCE CDSFNIPLVQ LVDVPGFLPG VQQEYGGIIR HGAKMLYAYS EATVPKITVV DATA SEQUENCE LRKAYGGSYL AMCNRDLGAD AVYAWPSAEI AVMGAEGAAN VIXXKEIXAA DATA SEQUENCE DDPDAMRAEK IEEYQNAFNT PYVAAARGQV DDVIDPADTR RKIASALEMY DATA SEQUENCE ATKRQTRPAK KHGNFPC 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.595 176.600 -0.008 0.000 0.988 8 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 8 K CB 0.000 32.498 32.500 -0.003 0.000 1.064 9 L N 2.187 123.403 121.223 -0.012 0.000 2.485 9 L HA 0.381 4.721 4.340 -0.001 0.000 0.275 9 L C 1.009 177.872 176.870 -0.012 0.000 1.207 9 L CA -0.006 54.825 54.840 -0.015 0.000 0.855 9 L CB 0.670 42.717 42.059 -0.020 0.000 1.114 9 L HN 0.606 nan 8.230 nan 0.000 0.485 10 A N 2.021 124.834 122.820 -0.012 0.000 2.406 10 A HA 0.227 4.547 4.320 -0.001 0.000 0.243 10 A C 1.127 178.705 177.584 -0.011 0.000 1.082 10 A CA 0.216 52.247 52.037 -0.009 0.000 0.786 10 A CB 0.409 19.404 19.000 -0.008 0.000 1.029 10 A HN 0.886 nan 8.150 nan 0.000 0.495 11 S N -0.227 115.468 115.700 -0.008 0.000 2.496 11 S HA 0.085 4.555 4.470 -0.001 0.000 0.224 11 S C 0.820 175.414 174.600 -0.009 0.000 0.996 11 S CA 0.825 59.019 58.200 -0.009 0.000 0.927 11 S CB -0.651 62.545 63.200 -0.007 0.000 0.774 11 S HN 1.325 nan 8.310 nan 0.000 0.524 12 T N -2.067 112.482 114.554 -0.009 0.000 2.942 12 T HA 0.626 4.976 4.350 -0.001 0.000 0.289 12 T C 0.643 175.337 174.700 -0.010 0.000 1.044 12 T CA -0.794 61.301 62.100 -0.009 0.000 1.023 12 T CB 1.455 70.319 68.868 -0.007 0.000 1.123 12 T HN -0.039 nan 8.240 nan 0.000 0.512 13 M N 1.267 120.860 119.600 -0.011 0.000 2.132 13 M HA -0.029 4.451 4.480 -0.001 0.000 0.263 13 M C 2.079 178.373 176.300 -0.010 0.000 1.065 13 M CA 1.667 56.959 55.300 -0.012 0.000 1.122 13 M CB -0.749 31.844 32.600 -0.012 0.000 1.365 13 M HN 0.781 nan 8.290 nan 0.000 0.411 14 E N -0.857 119.339 120.200 -0.007 0.000 2.153 14 E HA -0.116 4.234 4.350 -0.001 0.000 0.194 14 E C 2.102 178.701 176.600 -0.003 0.000 0.988 14 E CA 1.534 57.931 56.400 -0.004 0.000 0.811 14 E CB -1.490 28.208 29.700 -0.003 0.000 0.746 14 E HN 0.625 nan 8.360 nan 0.000 0.466 15 G N 1.583 110.381 108.800 -0.004 0.000 2.402 15 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.216 15 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.216 15 G C 1.786 176.683 174.900 -0.005 0.000 1.162 15 G CA 0.445 45.543 45.100 -0.004 0.000 0.777 15 G HN 0.163 nan 8.290 nan 0.000 0.539 16 R N -0.176 120.317 120.500 -0.011 0.000 2.148 16 R HA 0.043 4.383 4.340 -0.001 0.000 0.223 16 R C 2.544 178.835 176.300 -0.014 0.000 1.088 16 R CA 0.658 56.748 56.100 -0.017 0.000 0.985 16 R CB -0.336 29.948 30.300 -0.026 0.000 0.880 16 R HN 0.306 nan 8.270 nan 0.000 0.451 17 V N 1.410 121.320 119.914 -0.008 0.000 2.427 17 V HA -0.208 3.911 4.120 -0.001 0.000 0.248 17 V C 1.941 178.042 176.094 0.010 0.000 1.051 17 V CA 1.735 64.035 62.300 -0.000 0.000 1.048 17 V CB -0.318 31.506 31.823 0.001 0.000 0.666 17 V HN 0.344 nan 8.190 nan 0.000 0.456 18 E N -0.294 119.912 120.200 0.009 0.000 2.072 18 E HA -0.250 4.100 4.350 -0.001 0.000 0.191 18 E C 2.306 178.919 176.600 0.021 0.000 0.985 18 E CA 1.239 57.648 56.400 0.015 0.000 0.801 18 E CB -0.169 29.538 29.700 0.011 0.000 0.750 18 E HN 0.670 nan 8.360 nan 0.000 0.452 19 Q N 0.410 120.218 119.800 0.013 0.000 2.124 19 Q HA -0.173 4.167 4.340 -0.001 0.000 0.202 19 Q C 2.360 178.379 176.000 0.031 0.000 0.977 19 Q CA 0.910 56.723 55.803 0.016 0.000 0.850 19 Q CB -0.176 28.562 28.738 -0.000 0.000 0.901 19 Q HN 0.192 nan 8.270 nan 0.000 0.429 20 L N 0.832 122.068 121.223 0.022 0.000 2.046 20 L HA -0.133 4.206 4.340 -0.001 0.000 0.208 20 L C 2.176 179.119 176.870 0.122 0.000 1.077 20 L CA 2.114 56.982 54.840 0.046 0.000 0.747 20 L CB -0.813 41.254 42.059 0.012 0.000 0.896 20 L HN 0.115 nan 8.230 nan 0.000 0.432 21 A N -0.683 122.186 122.820 0.081 0.000 1.902 21 A HA -0.225 4.094 4.320 -0.001 0.000 0.217 21 A C 2.150 179.782 177.584 0.081 0.000 1.181 21 A CA 1.827 53.912 52.037 0.080 0.000 0.623 21 A CB -0.662 18.369 19.000 0.050 0.000 0.818 21 A HN 0.626 nan 8.150 nan 0.000 0.443 22 E N -0.356 119.885 120.200 0.068 0.000 2.051 22 E HA -0.232 4.118 4.350 -0.001 0.000 0.192 22 E C 2.307 178.959 176.600 0.086 0.000 0.991 22 E CA 1.446 57.883 56.400 0.061 0.000 0.799 22 E CB -0.228 29.500 29.700 0.046 0.000 0.748 22 E HN 0.730 nan 8.360 nan 0.000 0.449 23 Q N 0.274 120.151 119.800 0.129 0.000 2.119 23 Q HA -0.138 4.202 4.340 -0.001 0.000 0.201 23 Q C 2.263 178.395 176.000 0.220 0.000 0.972 23 Q CA 0.894 56.818 55.803 0.201 0.000 0.847 23 Q CB -0.114 28.783 28.738 0.265 0.000 0.903 23 Q HN 0.135 nan 8.270 nan 0.000 0.433 24 R N 0.587 121.226 120.500 0.231 0.000 2.075 24 R HA -0.147 4.192 4.340 -0.001 0.000 0.232 24 R C 2.358 178.650 176.300 -0.014 0.000 1.126 24 R CA 1.041 57.168 56.100 0.045 0.000 0.963 24 R CB 0.016 30.383 30.300 0.112 0.000 0.858 24 R HN 0.191 nan 8.270 nan 0.000 0.435 25 Q N 0.619 120.439 119.800 0.032 0.000 2.135 25 Q HA -0.128 4.212 4.340 -0.001 0.000 0.204 25 Q C 1.968 177.970 176.000 0.004 0.000 0.981 25 Q CA 1.734 57.547 55.803 0.017 0.000 0.856 25 Q CB -0.086 28.669 28.738 0.029 0.000 0.902 25 Q HN 0.287 nan 8.270 nan 0.000 0.425 26 V N 1.200 121.124 119.914 0.016 0.000 2.358 26 V HA -0.254 3.866 4.120 -0.001 0.000 0.246 26 V C 2.512 178.596 176.094 -0.018 0.000 1.047 26 V CA 1.195 63.501 62.300 0.010 0.000 1.035 26 V CB -0.478 31.366 31.823 0.034 0.000 0.658 26 V HN 0.316 nan 8.190 nan 0.000 0.452 27 I N 0.222 120.758 120.570 -0.057 0.000 2.179 27 I HA -0.200 3.969 4.170 -0.001 0.000 0.242 27 I C 2.431 178.495 176.117 -0.087 0.000 1.088 27 I CA 1.659 62.892 61.300 -0.111 0.000 1.357 27 I CB -1.152 36.674 38.000 -0.290 0.000 1.051 27 I HN 0.472 nan 8.210 nan 0.000 0.409 28 E N 0.802 120.956 120.200 -0.078 0.000 2.409 28 E HA -0.071 4.279 4.350 -0.001 0.000 0.198 28 E C 2.007 178.590 176.600 -0.030 0.000 1.024 28 E CA 0.782 57.154 56.400 -0.046 0.000 0.861 28 E CB -0.016 29.667 29.700 -0.028 0.000 0.788 28 E HN 0.441 nan 8.360 nan 0.000 0.521 29 A N 1.146 123.951 122.820 -0.026 0.000 2.167 29 A HA 0.213 4.533 4.320 -0.001 0.000 0.214 29 A C 1.564 179.131 177.584 -0.027 0.000 1.151 29 A CA 0.870 52.895 52.037 -0.020 0.000 0.735 29 A CB -0.527 18.467 19.000 -0.010 0.000 0.802 29 A HN 0.315 nan 8.150 nan 0.000 0.467 30 G N -0.637 108.145 108.800 -0.031 0.000 2.622 30 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.307 30 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.307 30 G C 1.256 176.137 174.900 -0.031 0.000 1.226 30 G CA 0.381 45.462 45.100 -0.032 0.000 0.997 30 G HN 1.351 nan 8.290 nan 0.000 0.551 31 G N 0.680 109.457 108.800 -0.038 0.000 2.848 31 G HA2 0.548 4.507 3.960 -0.001 0.000 0.208 31 G HA3 0.548 4.507 3.960 -0.001 0.000 0.208 31 G C 1.293 176.174 174.900 -0.031 0.000 1.152 31 G CA 1.548 46.623 45.100 -0.041 0.000 0.789 31 G HN 2.546 nan 8.290 nan 0.000 0.531 32 G N -0.554 108.230 108.800 -0.027 0.000 2.629 32 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.686 32 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.686 32 G C 0.328 175.215 174.900 -0.022 0.000 1.232 32 G CA 0.262 45.350 45.100 -0.019 0.000 0.803 32 G HN 0.240 nan 8.290 nan 0.000 0.638 33 E N 0.086 120.279 120.200 -0.012 0.000 2.086 33 E HA -0.287 4.062 4.350 -0.001 0.000 0.200 33 E C 2.403 178.998 176.600 -0.008 0.000 1.012 33 E CA 1.828 58.224 56.400 -0.007 0.000 0.812 33 E CB -0.078 29.626 29.700 0.005 0.000 0.743 33 E HN 0.596 nan 8.360 nan 0.000 0.453 34 R N 0.331 120.828 120.500 -0.004 0.000 2.073 34 R HA -0.156 4.184 4.340 -0.001 0.000 0.234 34 R C 2.384 178.682 176.300 -0.004 0.000 1.134 34 R CA 1.753 57.853 56.100 0.001 0.000 0.952 34 R CB -0.153 30.149 30.300 0.003 0.000 0.850 34 R HN 0.127 nan 8.270 nan 0.000 0.433 35 R N -0.101 120.391 120.500 -0.013 0.000 2.115 35 R HA -0.032 4.308 4.340 -0.001 0.000 0.230 35 R C 2.284 178.563 176.300 -0.034 0.000 1.111 35 R CA 1.184 57.278 56.100 -0.011 0.000 0.976 35 R CB -0.089 30.198 30.300 -0.022 0.000 0.870 35 R HN 0.114 nan 8.270 nan 0.000 0.445 36 V N 1.316 121.185 119.914 -0.076 0.000 2.358 36 V HA -0.199 3.920 4.120 -0.001 0.000 0.246 36 V C 1.941 177.905 176.094 -0.216 0.000 1.047 36 V CA 1.722 63.907 62.300 -0.192 0.000 1.035 36 V CB -0.325 31.390 31.823 -0.179 0.000 0.658 36 V HN 0.336 nan 8.190 nan 0.000 0.452 37 E N 0.070 120.234 120.200 -0.060 0.000 2.077 37 E HA -0.273 4.076 4.350 -0.001 0.000 0.193 37 E C 2.247 178.866 176.600 0.031 0.000 0.989 37 E CA 1.345 57.761 56.400 0.026 0.000 0.800 37 E CB -0.157 29.567 29.700 0.041 0.000 0.746 37 E HN 0.530 nan 8.360 nan 0.000 0.452 38 K N 1.174 121.583 120.400 0.014 0.000 2.026 38 K HA -0.281 4.039 4.320 -0.001 0.000 0.208 38 K C 2.317 178.939 176.600 0.036 0.000 1.048 38 K CA 1.683 57.992 56.287 0.036 0.000 0.929 38 K CB 0.006 32.536 32.500 0.050 0.000 0.713 38 K HN -0.073 nan 8.250 nan 0.000 0.439 39 Q N 0.336 120.136 119.800 -0.000 0.000 2.030 39 Q HA -0.210 4.130 4.340 -0.001 0.000 0.204 39 Q C 1.700 177.712 176.000 0.020 0.000 0.986 39 Q CA 2.223 58.016 55.803 -0.016 0.000 0.843 39 Q CB -0.280 28.404 28.738 -0.089 0.000 0.904 39 Q HN 0.605 nan 8.270 nan 0.000 0.420 40 H N -0.894 118.181 119.070 0.008 0.000 2.387 40 H HA -0.078 4.477 4.556 -0.001 0.000 0.299 40 H C 2.233 177.560 175.328 -0.002 0.000 1.090 40 H CA 1.118 57.163 56.048 -0.004 0.000 1.332 40 H CB 0.036 29.794 29.762 -0.005 0.000 1.386 40 H HN 0.495 nan 8.280 nan 0.000 0.516 41 S N 0.690 116.469 115.700 0.131 0.000 2.442 41 S HA -0.171 4.298 4.470 -0.001 0.000 0.236 41 S C 1.642 176.273 174.600 0.052 0.000 1.007 41 S CA 0.970 59.214 58.200 0.074 0.000 0.965 41 S CB -0.065 63.169 63.200 0.056 0.000 0.773 41 S HN 0.493 nan 8.310 nan 0.000 0.504 42 Q N 0.554 120.383 119.800 0.049 0.000 2.365 42 Q HA 0.306 4.645 4.340 -0.001 0.000 0.203 42 Q C 1.120 177.135 176.000 0.024 0.000 0.929 42 Q CA 0.181 56.000 55.803 0.026 0.000 0.948 42 Q CB 0.015 28.755 28.738 0.002 0.000 1.043 42 Q HN 0.784 nan 8.270 nan 0.000 0.505 43 G N 1.767 110.592 108.800 0.041 0.000 2.160 43 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.251 43 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.251 43 G C -0.273 174.646 174.900 0.033 0.000 1.008 43 G CA 0.181 45.299 45.100 0.031 0.000 0.724 43 G HN 0.229 nan 8.290 nan 0.000 0.514 44 K N 0.069 120.502 120.400 0.054 0.000 2.207 44 K HA 0.540 4.860 4.320 -0.001 0.000 0.255 44 K C 0.495 177.160 176.600 0.109 0.000 0.941 44 K CA -0.676 55.633 56.287 0.037 0.000 0.825 44 K CB 1.531 34.022 32.500 -0.015 0.000 1.119 44 K HN 0.344 nan 8.250 nan 0.000 0.430 45 Q N 0.772 120.602 119.800 0.050 0.000 2.317 45 Q HA 0.145 4.485 4.340 -0.001 0.000 0.229 45 Q C 0.223 176.214 176.000 -0.014 0.000 0.984 45 Q CA -0.488 55.358 55.803 0.071 0.000 0.911 45 Q CB 1.013 29.725 28.738 -0.044 0.000 1.217 45 Q HN 0.687 nan 8.270 nan 0.000 0.501 46 T N -2.293 112.248 114.554 -0.022 0.000 2.788 46 T HA 0.326 4.675 4.350 -0.001 0.000 0.287 46 T C 1.130 175.746 174.700 -0.141 0.000 1.007 46 T CA -0.175 61.868 62.100 -0.095 0.000 1.005 46 T CB 0.919 69.728 68.868 -0.099 0.000 1.012 46 T HN 0.653 nan 8.240 nan 0.000 0.530 47 A N 1.089 123.837 122.820 -0.119 0.000 1.940 47 A HA -0.117 4.202 4.320 -0.001 0.000 0.219 47 A C 2.564 180.010 177.584 -0.229 0.000 1.176 47 A CA 1.494 53.434 52.037 -0.161 0.000 0.631 47 A CB -0.744 18.221 19.000 -0.059 0.000 0.814 47 A HN 0.903 nan 8.150 nan 0.000 0.446 48 R N -0.763 119.640 120.500 -0.161 0.000 2.119 48 R HA -0.029 4.311 4.340 -0.001 0.000 0.222 48 R C 2.037 178.220 176.300 -0.194 0.000 1.088 48 R CA 1.218 57.216 56.100 -0.170 0.000 0.984 48 R CB -0.199 30.053 30.300 -0.079 0.000 0.884 48 R HN 0.666 nan 8.270 nan 0.000 0.447 49 E N 0.402 120.505 120.200 -0.160 0.000 2.106 49 E HA -0.144 4.205 4.350 -0.001 0.000 0.192 49 E C 1.999 178.456 176.600 -0.238 0.000 0.984 49 E CA 0.927 57.241 56.400 -0.143 0.000 0.806 49 E CB 0.099 29.762 29.700 -0.061 0.000 0.750 49 E HN 0.227 nan 8.360 nan 0.000 0.458 50 R N 0.380 120.645 120.500 -0.391 0.000 2.073 50 R HA -0.118 4.222 4.340 -0.001 0.000 0.234 50 R C 2.420 178.408 176.300 -0.520 0.000 1.134 50 R CA 1.142 56.833 56.100 -0.680 0.000 0.952 50 R CB -0.322 29.111 30.300 -1.444 0.000 0.850 50 R HN 0.159 nan 8.270 nan 0.000 0.433 51 L N 0.387 121.331 121.223 -0.465 0.000 2.056 51 L HA -0.169 4.170 4.340 -0.001 0.000 0.207 51 L C 2.172 178.874 176.870 -0.279 0.000 1.078 51 L CA 1.125 55.750 54.840 -0.358 0.000 0.749 51 L CB -0.459 41.194 42.059 -0.677 0.000 0.901 51 L HN 0.227 nan 8.230 nan 0.000 0.433 52 N N 0.426 118.975 118.700 -0.253 0.000 2.223 52 N HA -0.177 4.563 4.740 -0.001 0.000 0.185 52 N C 1.467 176.902 175.510 -0.125 0.000 1.016 52 N CA 1.469 54.421 53.050 -0.164 0.000 0.863 52 N CB -0.065 38.341 38.487 -0.135 0.000 0.983 52 N HN 0.341 nan 8.380 nan 0.000 0.429 53 N N -0.911 117.717 118.700 -0.120 0.000 2.333 53 N HA -0.028 4.712 4.740 -0.001 0.000 0.178 53 N C 1.330 176.816 175.510 -0.041 0.000 1.018 53 N CA 0.232 53.235 53.050 -0.079 0.000 0.882 53 N CB 0.148 38.589 38.487 -0.076 0.000 0.984 53 N HN 0.136 nan 8.380 nan 0.000 0.434 54 L N 1.264 122.479 121.223 -0.014 0.000 2.068 54 L HA 0.125 4.465 4.340 -0.001 0.000 0.204 54 L C 0.404 177.270 176.870 -0.006 0.000 1.076 54 L CA 1.101 55.963 54.840 0.037 0.000 0.753 54 L CB -0.217 41.939 42.059 0.161 0.000 0.910 54 L HN -0.002 nan 8.230 nan 0.000 0.439 55 L N 0.448 121.655 121.223 -0.026 0.000 2.453 55 L HA 0.167 4.506 4.340 -0.001 0.000 0.261 55 L C -0.025 176.834 176.870 -0.018 0.000 1.179 55 L CA -0.900 53.933 54.840 -0.013 0.000 0.813 55 L CB 0.017 42.080 42.059 0.007 0.000 1.110 55 L HN 0.090 nan 8.230 nan 0.000 0.466 56 D N 1.309 121.708 120.400 -0.002 0.000 2.449 56 D HA 0.086 4.726 4.640 -0.001 0.000 0.236 56 D C -2.193 174.102 176.300 -0.010 0.000 1.149 56 D CA -0.823 53.175 54.000 -0.003 0.000 0.878 56 D CB 0.229 41.037 40.800 0.014 0.000 1.198 56 D HN 0.217 nan 8.370 nan 0.000 0.446 57 P HA -0.087 nan 4.420 nan 0.000 0.259 57 P C -0.366 176.918 177.300 -0.027 0.000 1.163 57 P CA 0.749 63.781 63.100 -0.114 0.000 0.760 57 P CB -0.006 31.691 31.700 -0.005 0.000 0.762 58 H N 0.143 119.238 119.070 0.041 0.000 3.010 58 H HA -0.201 4.354 4.556 -0.001 0.000 0.272 58 H C 1.242 176.603 175.328 0.055 0.000 1.151 58 H CA 1.174 57.251 56.048 0.049 0.000 1.159 58 H CB -2.106 27.673 29.762 0.027 0.000 1.295 58 H HN 0.484 nan 8.280 nan 0.000 0.344 59 S N -1.070 114.703 115.700 0.123 0.000 2.478 59 S HA -0.015 4.455 4.470 -0.001 0.000 0.222 59 S C 0.691 175.372 174.600 0.136 0.000 1.008 59 S CA -0.119 58.144 58.200 0.105 0.000 0.928 59 S CB 0.153 63.397 63.200 0.074 0.000 0.781 59 S HN 0.310 nan 8.310 nan 0.000 0.518 60 F N 4.136 124.080 119.950 -0.010 0.000 2.590 60 F HA 0.286 4.812 4.527 -0.000 0.000 0.389 60 F C 0.072 175.869 175.800 -0.005 0.000 1.049 60 F CA -1.028 56.963 58.000 -0.016 0.000 1.199 60 F CB 0.147 39.133 39.000 -0.022 0.000 1.058 60 F HN 0.108 nan 8.300 nan 0.000 0.556 61 D N 6.214 126.310 120.400 -0.508 0.000 2.453 61 D HA 0.087 4.727 4.640 -0.001 0.000 0.238 61 D C -0.700 175.111 176.300 -0.816 0.000 1.088 61 D CA -0.310 53.383 54.000 -0.512 0.000 0.854 61 D CB 0.701 41.366 40.800 -0.226 0.000 1.076 61 D HN 0.732 nan 8.370 nan 0.000 0.533 62 E N 2.382 122.005 120.200 -0.962 0.000 2.331 62 E HA 0.320 4.670 4.350 -0.001 0.000 0.272 62 E C -1.025 175.423 176.600 -0.253 0.000 1.036 62 E CA -0.593 55.379 56.400 -0.714 0.000 0.864 62 E CB 1.230 30.626 29.700 -0.507 0.000 1.035 62 E HN 0.104 nan 8.360 nan 0.000 0.408 63 V N 3.843 123.691 119.914 -0.110 0.000 2.448 63 V HA 0.481 4.600 4.120 -0.001 0.000 0.295 63 V C 0.700 176.801 176.094 0.011 0.000 1.025 63 V CA 0.264 62.549 62.300 -0.025 0.000 0.859 63 V CB 1.295 33.125 31.823 0.012 0.000 0.988 63 V HN 1.019 nan 8.190 nan 0.000 0.431 64 G N 4.074 112.893 108.800 0.030 0.000 2.160 64 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.244 64 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.244 64 G C 0.949 175.856 174.900 0.011 0.000 1.022 64 G CA 0.475 45.602 45.100 0.045 0.000 0.741 64 G HN 1.362 nan 8.290 nan 0.000 0.508 65 A N -0.578 122.210 122.820 -0.053 0.000 1.940 65 A HA 0.240 4.560 4.320 -0.001 0.000 0.219 65 A C 1.768 179.169 177.584 -0.306 0.000 1.176 65 A CA 1.971 53.874 52.037 -0.222 0.000 0.631 65 A CB -0.337 18.423 19.000 -0.400 0.000 0.814 65 A HN 0.814 nan 8.150 nan 0.000 0.446 66 F N -0.740 119.217 119.950 0.012 0.000 2.773 66 F HA 0.245 4.772 4.527 -0.001 0.000 0.304 66 F C 1.039 176.844 175.800 0.008 0.000 1.129 66 F CA -0.260 57.745 58.000 0.009 0.000 1.378 66 F CB 0.015 39.016 39.000 0.000 0.000 1.095 66 F HN 0.003 nan 8.300 nan 0.000 0.565 67 R N 2.279 122.855 120.500 0.127 0.000 2.590 67 R HA 0.222 4.561 4.340 -0.001 0.000 0.274 67 R C -0.736 175.610 176.300 0.077 0.000 1.061 67 R CA 0.388 56.540 56.100 0.086 0.000 1.081 67 R CB 0.279 30.613 30.300 0.057 0.000 0.984 67 R HN 0.106 nan 8.270 nan 0.000 0.448 68 K N 2.829 123.263 120.400 0.055 0.000 2.435 68 K HA 0.253 4.573 4.320 -0.001 0.000 0.251 68 K C -0.732 175.875 176.600 0.012 0.000 0.954 68 K CA -1.078 55.237 56.287 0.047 0.000 0.820 68 K CB 1.408 33.892 32.500 -0.027 0.000 1.292 68 K HN 0.781 nan 8.250 nan 0.000 0.436 69 H N 1.123 120.201 119.070 0.013 0.000 2.745 69 H HA 0.093 4.648 4.556 -0.001 0.000 0.373 69 H C 0.129 175.462 175.328 0.008 0.000 1.226 69 H CA 0.060 56.113 56.048 0.007 0.000 1.435 69 H CB 0.824 30.590 29.762 0.006 0.000 1.461 69 H HN 0.757 nan 8.280 nan 0.000 0.616 70 R N 0.104 120.585 120.500 -0.032 0.000 2.476 70 R HA 0.135 4.475 4.340 -0.001 0.000 0.276 70 R C -0.246 176.058 176.300 0.008 0.000 0.941 70 R CA -0.115 55.935 56.100 -0.083 0.000 1.088 70 R CB -0.228 30.049 30.300 -0.038 0.000 1.216 70 R HN 0.620 nan 8.270 nan 0.000 0.533 71 T N -0.474 114.165 114.554 0.141 0.000 2.900 71 T HA 0.164 4.513 4.350 -0.001 0.000 0.307 71 T C 1.013 175.814 174.700 0.168 0.000 1.065 71 T CA 0.324 62.517 62.100 0.156 0.000 1.105 71 T CB 1.640 70.611 68.868 0.172 0.000 0.979 71 T HN 0.282 nan 8.240 nan 0.000 0.544 72 T N -1.290 113.319 114.554 0.092 0.000 3.009 72 T HA 0.290 4.639 4.350 -0.001 0.000 0.267 72 T C 0.600 175.312 174.700 0.020 0.000 0.942 72 T CA -0.493 61.642 62.100 0.059 0.000 0.883 72 T CB -0.144 68.732 68.868 0.013 0.000 1.192 72 T HN 0.511 nan 8.240 nan 0.000 0.524 73 L N 1.419 122.649 121.223 0.011 0.000 2.453 73 L HA 0.412 4.752 4.340 -0.001 0.000 0.261 73 L C 0.120 177.004 176.870 0.023 0.000 1.179 73 L CA -0.809 53.973 54.840 -0.096 0.000 0.813 73 L CB -0.367 41.628 42.059 -0.106 0.000 1.110 73 L HN 0.173 nan 8.230 nan 0.000 0.466 74 F N 1.595 121.555 119.950 0.017 0.000 3.004 74 F HA -0.225 4.302 4.527 -0.001 0.000 0.264 74 F C 1.325 177.129 175.800 0.007 0.000 0.979 74 F CA 1.018 59.025 58.000 0.011 0.000 0.896 74 F CB -2.022 36.984 39.000 0.009 0.000 0.813 74 F HN 0.826 nan 8.300 nan 0.000 0.804 75 G N -2.104 106.754 108.800 0.098 0.000 2.217 75 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.246 75 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.246 75 G C 0.922 175.862 174.900 0.066 0.000 0.990 75 G CA 0.204 45.348 45.100 0.074 0.000 0.627 75 G HN 0.288 nan 8.290 nan 0.000 0.522 76 M N 1.873 121.522 119.600 0.081 0.000 2.213 76 M HA 0.015 4.495 4.480 -0.001 0.000 0.263 76 M C 2.318 178.743 176.300 0.209 0.000 1.062 76 M CA 2.082 57.438 55.300 0.093 0.000 1.105 76 M CB -1.131 31.535 32.600 0.109 0.000 1.385 76 M HN 0.593 nan 8.290 nan 0.000 0.417 77 D N 0.320 120.793 120.400 0.122 0.000 2.123 77 D HA -0.196 4.444 4.640 -0.001 0.000 0.196 77 D C 1.408 177.766 176.300 0.096 0.000 0.992 77 D CA 1.329 55.385 54.000 0.093 0.000 0.833 77 D CB -0.557 40.262 40.800 0.033 0.000 0.954 77 D HN 0.290 nan 8.370 nan 0.000 0.455 78 K N 0.262 120.710 120.400 0.081 0.000 2.393 78 K HA 0.316 4.636 4.320 -0.001 0.000 0.193 78 K C 0.622 177.269 176.600 0.079 0.000 1.026 78 K CA 0.139 56.465 56.287 0.065 0.000 1.064 78 K CB 0.662 33.185 32.500 0.040 0.000 0.833 78 K HN 0.192 nan 8.250 nan 0.000 0.521 79 A N 1.744 124.625 122.820 0.102 0.000 2.450 79 A HA 0.272 4.592 4.320 -0.001 0.000 0.255 79 A C 0.143 177.805 177.584 0.131 0.000 1.096 79 A CA -0.256 51.818 52.037 0.061 0.000 0.778 79 A CB 0.383 19.353 19.000 -0.049 0.000 1.031 79 A HN -0.025 nan 8.150 nan 0.000 0.494 80 V N 4.102 124.061 119.914 0.075 0.000 2.318 80 V HA 0.317 4.437 4.120 -0.001 0.000 0.271 80 V C -0.304 175.820 176.094 0.049 0.000 1.030 80 V CA -0.229 62.125 62.300 0.090 0.000 0.844 80 V CB 1.052 32.907 31.823 0.054 0.000 1.015 80 V HN 0.583 nan 8.190 nan 0.000 0.460 81 V N 7.035 126.997 119.914 0.080 0.000 2.315 81 V HA 0.292 4.412 4.120 -0.001 0.000 0.265 81 V C -2.455 173.667 176.094 0.047 0.000 1.019 81 V CA -1.970 60.339 62.300 0.015 0.000 0.824 81 V CB 1.152 32.924 31.823 -0.085 0.000 1.072 81 V HN 0.681 nan 8.190 nan 0.000 0.448 82 P HA 0.031 nan 4.420 nan 0.000 0.257 82 P C 0.896 178.194 177.300 -0.003 0.000 1.162 82 P CA 1.244 64.345 63.100 0.001 0.000 0.762 82 P CB 0.464 32.151 31.700 -0.020 0.000 0.753 83 A N 4.400 127.217 122.820 -0.006 0.000 2.816 83 A HA -0.284 4.036 4.320 -0.001 0.000 0.270 83 A C 1.235 178.835 177.584 0.027 0.000 1.413 83 A CA 1.295 53.331 52.037 -0.002 0.000 0.866 83 A CB -2.599 16.389 19.000 -0.019 0.000 1.032 83 A HN 0.612 nan 8.150 nan 0.000 0.642 84 D N -3.771 116.657 120.400 0.047 0.000 2.955 84 D HA -0.045 4.594 4.640 -0.001 0.000 0.226 84 D C 1.647 177.958 176.300 0.018 0.000 1.178 84 D CA 3.167 57.195 54.000 0.046 0.000 0.808 84 D CB -1.317 39.522 40.800 0.064 0.000 1.099 84 D HN 2.449 nan 8.370 nan 0.000 0.421 85 G N -2.518 106.290 108.800 0.013 0.000 2.141 85 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.242 85 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.242 85 G C 0.186 175.116 174.900 0.049 0.000 0.982 85 G CA 0.370 45.481 45.100 0.017 0.000 0.662 85 G HN 1.194 nan 8.290 nan 0.000 0.527 86 V N -0.117 119.826 119.914 0.048 0.000 2.888 86 V HA 0.712 4.831 4.120 -0.001 0.000 0.309 86 V C -0.559 175.566 176.094 0.050 0.000 1.114 86 V CA -0.631 61.708 62.300 0.066 0.000 0.940 86 V CB 2.389 34.252 31.823 0.066 0.000 1.021 86 V HN 0.560 nan 8.190 nan 0.000 0.426 87 V N 5.575 125.524 119.914 0.059 0.000 2.370 87 V HA 0.714 4.834 4.120 -0.001 0.000 0.283 87 V C 0.192 176.371 176.094 0.140 0.000 1.023 87 V CA -0.026 62.332 62.300 0.097 0.000 0.857 87 V CB 1.630 33.489 31.823 0.061 0.000 0.985 87 V HN 1.061 nan 8.190 nan 0.000 0.443 88 T N 1.386 116.068 114.554 0.213 0.000 2.906 88 T HA 0.978 5.327 4.350 -0.001 0.000 0.295 88 T C -0.059 174.838 174.700 0.329 0.000 1.061 88 T CA -0.078 62.161 62.100 0.231 0.000 1.000 88 T CB 2.331 71.261 68.868 0.103 0.000 1.103 88 T HN 1.280 nan 8.240 nan 0.000 0.486 89 G N 1.197 110.218 108.800 0.368 0.000 2.360 89 G HA2 0.526 4.486 3.960 -0.001 0.000 0.276 89 G HA3 0.526 4.486 3.960 -0.001 0.000 0.276 89 G C -1.802 173.230 174.900 0.219 0.000 1.256 89 G CA -0.822 44.409 45.100 0.219 0.000 0.890 89 G HN 1.000 nan 8.290 nan 0.000 0.486 90 R N -0.714 119.802 120.500 0.026 0.000 2.854 90 R HA 0.896 5.235 4.340 -0.001 0.000 0.271 90 R C 0.027 176.356 176.300 0.048 0.000 0.994 90 R CA -0.427 55.603 56.100 -0.118 0.000 0.945 90 R CB 2.027 32.072 30.300 -0.425 0.000 1.194 90 R HN 1.683 nan 8.270 nan 0.000 0.476 91 G N -0.099 108.716 108.800 0.024 0.000 2.650 91 G HA2 0.529 4.488 3.960 -0.001 0.000 0.310 91 G HA3 0.529 4.488 3.960 -0.001 0.000 0.310 91 G C -1.363 173.550 174.900 0.021 0.000 1.270 91 G CA -0.318 44.829 45.100 0.079 0.000 0.810 91 G HN 0.809 nan 8.290 nan 0.000 0.493 92 T N -1.967 112.605 114.554 0.031 0.000 2.906 92 T HA 0.750 5.099 4.350 -0.001 0.000 0.295 92 T C -0.910 173.795 174.700 0.008 0.000 1.061 92 T CA -0.624 61.484 62.100 0.013 0.000 1.000 92 T CB 1.940 70.815 68.868 0.013 0.000 1.103 92 T HN 0.549 nan 8.240 nan 0.000 0.486 93 I N 2.901 123.469 120.570 -0.004 0.000 2.439 93 I HA 0.319 4.489 4.170 -0.001 0.000 0.283 93 I C -0.495 175.609 176.117 -0.021 0.000 1.023 93 I CA -1.022 60.267 61.300 -0.017 0.000 1.100 93 I CB 1.513 39.495 38.000 -0.030 0.000 1.238 93 I HN 0.670 nan 8.210 nan 0.000 0.445 94 L N 6.886 128.096 121.223 -0.022 0.000 3.678 94 L HA -0.266 4.073 4.340 -0.001 0.000 0.425 94 L C 1.277 178.140 176.870 -0.013 0.000 1.240 94 L CA 1.334 56.161 54.840 -0.023 0.000 0.876 94 L CB -1.703 40.334 42.059 -0.038 0.000 1.766 94 L HN 1.083 nan 8.230 nan 0.000 0.917 95 G N -1.644 107.153 108.800 -0.004 0.000 2.234 95 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.260 95 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.260 95 G C 0.578 175.481 174.900 0.004 0.000 0.987 95 G CA 0.414 45.515 45.100 0.002 0.000 0.625 95 G HN 0.513 nan 8.290 nan 0.000 0.532 96 R N 1.333 121.834 120.500 0.001 0.000 2.265 96 R HA 0.431 4.771 4.340 -0.001 0.000 0.314 96 R C -2.569 173.739 176.300 0.013 0.000 1.053 96 R CA -1.745 54.360 56.100 0.008 0.000 0.931 96 R CB 0.745 31.047 30.300 0.003 0.000 1.024 96 R HN 0.130 nan 8.270 nan 0.000 0.457 97 P HA -0.037 nan 4.420 nan 0.000 0.268 97 P C -0.761 176.560 177.300 0.037 0.000 1.204 97 P CA -0.053 63.056 63.100 0.016 0.000 0.768 97 P CB 0.824 32.544 31.700 0.033 0.000 0.842 98 V N 0.696 120.614 119.914 0.005 0.000 3.188 98 V HA 0.617 4.736 4.120 -0.001 0.000 0.305 98 V C -1.177 174.913 176.094 -0.006 0.000 1.232 98 V CA -0.874 61.468 62.300 0.069 0.000 1.043 98 V CB 2.178 34.029 31.823 0.046 0.000 1.068 98 V HN 0.412 nan 8.190 nan 0.000 0.439 99 H N 0.697 119.860 119.070 0.156 0.000 2.569 99 H HA 0.966 5.521 4.556 -0.001 0.000 0.357 99 H C 0.071 175.524 175.328 0.207 0.000 1.153 99 H CA 0.563 56.743 56.048 0.220 0.000 1.193 99 H CB 1.965 31.889 29.762 0.269 0.000 1.602 99 H HN 1.308 nan 8.280 nan 0.000 0.523 100 A N 1.276 124.259 122.820 0.271 0.000 2.587 100 A HA 0.871 5.191 4.320 -0.001 0.000 0.293 100 A C -1.435 176.202 177.584 0.088 0.000 1.087 100 A CA -0.184 51.882 52.037 0.048 0.000 0.692 100 A CB 1.378 20.381 19.000 0.005 0.000 1.291 100 A HN 0.813 nan 8.150 nan 0.000 0.407 101 A N -0.093 122.674 122.820 -0.089 0.000 2.498 101 A HA 0.907 5.227 4.320 -0.001 0.000 0.298 101 A C -0.479 177.158 177.584 0.087 0.000 1.075 101 A CA -0.138 51.817 52.037 -0.137 0.000 0.714 101 A CB 1.659 20.249 19.000 -0.683 0.000 1.299 101 A HN 1.950 nan 8.150 nan 0.000 0.407 102 S N 0.811 116.593 115.700 0.136 0.000 2.680 102 S HA 0.310 4.779 4.470 -0.001 0.000 0.262 102 S C -0.980 173.738 174.600 0.197 0.000 1.138 102 S CA -0.396 57.950 58.200 0.242 0.000 1.072 102 S CB 0.497 63.721 63.200 0.039 0.000 1.097 102 S HN 0.704 nan 8.310 nan 0.000 0.468 103 Q N 2.254 122.236 119.800 0.303 0.000 2.337 103 Q HA 0.116 4.455 4.340 -0.001 0.000 0.270 103 Q C -0.701 175.387 176.000 0.146 0.000 1.002 103 Q CA 0.197 56.137 55.803 0.229 0.000 0.888 103 Q CB 0.565 29.447 28.738 0.241 0.000 1.222 103 Q HN 0.527 nan 8.270 nan 0.000 0.400 104 D N 2.405 122.873 120.400 0.112 0.000 2.467 104 D HA 0.045 4.684 4.640 -0.001 0.000 0.220 104 D C -0.132 176.229 176.300 0.102 0.000 1.103 104 D CA -0.367 53.681 54.000 0.080 0.000 0.886 104 D CB 0.230 41.048 40.800 0.029 0.000 1.025 104 D HN 0.464 nan 8.370 nan 0.000 0.514 105 F N 2.507 122.459 119.950 0.003 0.000 2.269 105 F HA -0.171 4.356 4.527 -0.001 0.000 0.301 105 F C 2.335 178.130 175.800 -0.008 0.000 1.082 105 F CA 1.750 59.754 58.000 0.007 0.000 1.360 105 F CB -0.036 38.968 39.000 0.007 0.000 1.041 105 F HN 0.396 nan 8.300 nan 0.000 0.512 106 T N -2.446 112.114 114.554 0.010 0.000 3.072 106 T HA 0.016 4.365 4.350 -0.001 0.000 0.266 106 T C 0.671 175.296 174.700 -0.125 0.000 1.127 106 T CA 0.588 62.648 62.100 -0.067 0.000 1.107 106 T CB -0.826 68.026 68.868 -0.026 0.000 0.910 106 T HN -0.081 nan 8.240 nan 0.000 0.513 107 V N 2.837 122.677 119.914 -0.123 0.000 2.294 107 V HA 0.393 4.513 4.120 -0.001 0.000 0.272 107 V C 0.389 176.394 176.094 -0.149 0.000 1.027 107 V CA -0.688 61.547 62.300 -0.108 0.000 0.823 107 V CB 0.322 32.111 31.823 -0.057 0.000 1.030 107 V HN 0.566 nan 8.190 nan 0.000 0.457 108 M N 3.809 123.310 119.600 -0.166 0.000 2.206 108 M HA -0.232 4.247 4.480 -0.001 0.000 0.197 108 M C 1.295 177.453 176.300 -0.237 0.000 0.375 108 M CA 1.050 56.248 55.300 -0.169 0.000 0.410 108 M CB -1.195 31.331 32.600 -0.123 0.000 1.204 108 M HN 1.135 nan 8.290 nan 0.000 0.932 109 G N -0.728 107.801 108.800 -0.451 0.000 2.233 109 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.270 109 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.270 109 G C 0.995 175.621 174.900 -0.455 0.000 1.011 109 G CA 1.034 45.645 45.100 -0.814 0.000 0.762 109 G HN 1.939 nan 8.290 nan 0.000 0.511 110 G N -1.337 107.332 108.800 -0.218 0.000 2.168 110 G HA2 0.021 3.981 3.960 -0.001 0.000 0.257 110 G HA3 0.021 3.981 3.960 -0.001 0.000 0.257 110 G C 0.855 175.792 174.900 0.062 0.000 0.997 110 G CA 1.352 46.466 45.100 0.024 0.000 0.708 110 G HN 2.423 nan 8.290 nan 0.000 0.520 111 S N -0.580 115.121 115.700 0.001 0.000 2.558 111 S HA 0.450 4.919 4.470 -0.001 0.000 0.291 111 S C 0.882 175.502 174.600 0.033 0.000 1.306 111 S CA 0.383 58.606 58.200 0.038 0.000 1.056 111 S CB 1.676 64.874 63.200 -0.002 0.000 0.836 111 S HN 1.920 nan 8.310 nan 0.000 0.504 112 A N 3.578 126.423 122.820 0.040 0.000 2.906 112 A HA 0.535 4.854 4.320 -0.001 0.000 0.289 112 A C 1.025 178.517 177.584 -0.154 0.000 1.675 112 A CA -0.219 51.763 52.037 -0.092 0.000 1.372 112 A CB -1.242 17.554 19.000 -0.341 0.000 1.091 112 A HN 1.211 nan 8.150 nan 0.000 0.579 113 G N 0.369 109.121 108.800 -0.081 0.000 2.594 113 G HA2 0.256 4.215 3.960 -0.001 0.000 0.243 113 G HA3 0.256 4.215 3.960 -0.001 0.000 0.243 113 G C 0.748 175.599 174.900 -0.083 0.000 1.229 113 G CA 0.192 45.251 45.100 -0.068 0.000 0.843 113 G HN 0.791 nan 8.290 nan 0.000 0.578 114 E N 0.252 120.421 120.200 -0.053 0.000 2.085 114 E HA -0.174 4.176 4.350 -0.001 0.000 0.194 114 E C 2.199 178.781 176.600 -0.030 0.000 0.994 114 E CA 1.770 58.139 56.400 -0.051 0.000 0.801 114 E CB -0.113 29.579 29.700 -0.013 0.000 0.743 114 E HN 0.490 nan 8.360 nan 0.000 0.453 115 T N 0.819 115.377 114.554 0.008 0.000 2.867 115 T HA -0.174 4.176 4.350 -0.001 0.000 0.268 115 T C 1.778 176.481 174.700 0.005 0.000 1.057 115 T CA 1.266 63.376 62.100 0.018 0.000 1.136 115 T CB -0.168 68.733 68.868 0.055 0.000 0.874 115 T HN 0.285 nan 8.240 nan 0.000 0.466 116 Q N 0.819 120.619 119.800 0.000 0.000 2.061 116 Q HA -0.135 4.205 4.340 -0.001 0.000 0.204 116 Q C 2.393 178.385 176.000 -0.013 0.000 0.984 116 Q CA 1.689 57.493 55.803 0.002 0.000 0.846 116 Q CB -0.176 28.567 28.738 0.007 0.000 0.902 116 Q HN 0.402 nan 8.270 nan 0.000 0.421 117 S N -0.089 115.585 115.700 -0.044 0.000 2.382 117 S HA -0.113 4.357 4.470 -0.001 0.000 0.228 117 S C 1.914 176.490 174.600 -0.041 0.000 1.027 117 S CA 1.520 59.691 58.200 -0.049 0.000 0.991 117 S CB -0.324 62.800 63.200 -0.126 0.000 0.823 117 S HN 0.493 nan 8.310 nan 0.000 0.469 118 T N 2.263 116.794 114.554 -0.038 0.000 2.746 118 T HA -0.062 4.287 4.350 -0.001 0.000 0.267 118 T C 1.761 176.442 174.700 -0.031 0.000 1.039 118 T CA 1.118 63.200 62.100 -0.030 0.000 1.142 118 T CB -0.177 68.678 68.868 -0.020 0.000 0.866 118 T HN 0.405 nan 8.240 nan 0.000 0.444 119 K N 0.533 120.919 120.400 -0.024 0.000 2.057 119 K HA -0.043 4.277 4.320 -0.001 0.000 0.207 119 K C 2.326 178.893 176.600 -0.055 0.000 1.049 119 K CA 0.942 57.216 56.287 -0.023 0.000 0.931 119 K CB -0.402 32.094 32.500 -0.006 0.000 0.714 119 K HN 0.146 nan 8.250 nan 0.000 0.440 120 V N 0.913 120.775 119.914 -0.085 0.000 2.295 120 V HA -0.213 3.906 4.120 -0.001 0.000 0.246 120 V C 2.237 178.221 176.094 -0.183 0.000 1.049 120 V CA 1.475 63.676 62.300 -0.166 0.000 1.024 120 V CB -0.287 31.419 31.823 -0.195 0.000 0.648 120 V HN 0.087 nan 8.190 nan 0.000 0.447 121 V N -0.067 119.780 119.914 -0.113 0.000 2.407 121 V HA -0.261 3.858 4.120 -0.001 0.000 0.248 121 V C 2.395 178.415 176.094 -0.125 0.000 1.055 121 V CA 2.015 64.248 62.300 -0.112 0.000 1.049 121 V CB -0.662 31.137 31.823 -0.040 0.000 0.662 121 V HN 0.632 nan 8.190 nan 0.000 0.455 122 E N -0.278 119.870 120.200 -0.088 0.000 2.106 122 E HA -0.170 4.180 4.350 -0.001 0.000 0.192 122 E C 2.281 178.824 176.600 -0.094 0.000 0.984 122 E CA 1.693 58.051 56.400 -0.070 0.000 0.806 122 E CB -0.253 29.427 29.700 -0.034 0.000 0.750 122 E HN 0.561 nan 8.360 nan 0.000 0.458 123 T N 0.975 115.469 114.554 -0.099 0.000 2.821 123 T HA -0.116 4.233 4.350 -0.001 0.000 0.267 123 T C 1.870 176.418 174.700 -0.254 0.000 1.046 123 T CA 1.018 63.081 62.100 -0.062 0.000 1.139 123 T CB -0.080 68.820 68.868 0.054 0.000 0.871 123 T HN 0.118 nan 8.240 nan 0.000 0.454 124 M N 0.746 120.068 119.600 -0.464 0.000 2.117 124 M HA -0.062 4.418 4.480 -0.001 0.000 0.262 124 M C 2.420 178.515 176.300 -0.342 0.000 1.065 124 M CA 1.306 56.221 55.300 -0.643 0.000 1.114 124 M CB -0.277 31.918 32.600 -0.674 0.000 1.361 124 M HN 0.072 nan 8.290 nan 0.000 0.408 125 E N 0.244 120.307 120.200 -0.229 0.000 2.153 125 E HA -0.178 4.172 4.350 -0.001 0.000 0.194 125 E C 2.095 178.591 176.600 -0.174 0.000 0.988 125 E CA 1.011 57.322 56.400 -0.147 0.000 0.811 125 E CB -0.236 29.412 29.700 -0.086 0.000 0.746 125 E HN 0.539 nan 8.360 nan 0.000 0.466 126 Q N 0.079 119.731 119.800 -0.247 0.000 2.123 126 Q HA 0.017 4.356 4.340 -0.001 0.000 0.199 126 Q C 2.144 177.804 176.000 -0.567 0.000 0.966 126 Q CA 1.165 56.777 55.803 -0.318 0.000 0.845 126 Q CB -0.512 28.069 28.738 -0.262 0.000 0.907 126 Q HN 0.244 nan 8.270 nan 0.000 0.439 127 A N 0.963 123.350 122.820 -0.722 0.000 1.902 127 A HA -0.161 4.158 4.320 -0.001 0.000 0.217 127 A C 2.139 179.632 177.584 -0.151 0.000 1.181 127 A CA 1.426 53.184 52.037 -0.465 0.000 0.623 127 A CB -0.664 18.248 19.000 -0.146 0.000 0.818 127 A HN 0.328 nan 8.150 nan 0.000 0.443 128 L N -0.511 120.632 121.223 -0.132 0.000 2.027 128 L HA -0.073 4.267 4.340 -0.001 0.000 0.206 128 L C 2.208 179.056 176.870 -0.036 0.000 1.074 128 L CA 1.637 56.447 54.840 -0.050 0.000 0.745 128 L CB -0.432 41.595 42.059 -0.053 0.000 0.898 128 L HN 0.416 nan 8.230 nan 0.000 0.433 129 L N -0.553 120.632 121.223 -0.062 0.000 2.083 129 L HA -0.177 4.163 4.340 -0.001 0.000 0.209 129 L C 2.010 178.877 176.870 -0.005 0.000 1.083 129 L CA 2.287 57.109 54.840 -0.031 0.000 0.752 129 L CB -0.728 41.307 42.059 -0.040 0.000 0.899 129 L HN 0.654 nan 8.230 nan 0.000 0.433 130 T N -4.301 110.251 114.554 -0.003 0.000 3.069 130 T HA 0.226 4.576 4.350 -0.001 0.000 0.252 130 T C 1.176 175.919 174.700 0.071 0.000 1.053 130 T CA 0.367 62.498 62.100 0.053 0.000 0.964 130 T CB 0.146 69.087 68.868 0.122 0.000 1.005 130 T HN 0.503 nan 8.240 nan 0.000 0.532 131 G N 2.135 110.968 108.800 0.056 0.000 2.298 131 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.287 131 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.287 131 G C 0.071 175.038 174.900 0.112 0.000 1.075 131 G CA 0.369 45.518 45.100 0.081 0.000 0.960 131 G HN 1.228 nan 8.290 nan 0.000 0.502 132 T N -2.627 112.010 114.554 0.139 0.000 2.924 132 T HA 0.796 5.146 4.350 -0.001 0.000 0.291 132 T C -2.745 172.070 174.700 0.192 0.000 1.045 132 T CA -2.095 60.114 62.100 0.181 0.000 1.015 132 T CB 3.443 72.484 68.868 0.287 0.000 1.103 132 T HN -0.005 nan 8.240 nan 0.000 0.496 133 P HA 0.352 nan 4.420 nan 0.000 0.270 133 P C -1.372 176.084 177.300 0.259 0.000 1.223 133 P CA -0.405 62.785 63.100 0.150 0.000 0.785 133 P CB 0.217 31.955 31.700 0.063 0.000 0.923 134 F N 2.218 122.222 119.950 0.091 0.000 2.507 134 F HA 0.562 5.089 4.527 -0.001 0.000 0.328 134 F C -1.703 174.152 175.800 0.091 0.000 1.136 134 F CA -0.834 57.229 58.000 0.105 0.000 0.930 134 F CB 0.856 39.914 39.000 0.097 0.000 1.166 134 F HN -0.004 nan 8.300 nan 0.000 0.436 135 L N 7.151 127.959 121.223 -0.693 0.000 2.365 135 L HA 0.529 4.868 4.340 -0.001 0.000 0.273 135 L C -1.292 175.094 176.870 -0.806 0.000 1.000 135 L CA -0.553 53.924 54.840 -0.606 0.000 0.819 135 L CB 2.054 43.903 42.059 -0.350 0.000 1.284 135 L HN 0.677 nan 8.230 nan 0.000 0.418 136 F N 2.459 121.958 119.950 -0.752 0.000 2.562 136 F HA 0.520 5.047 4.527 -0.001 0.000 0.319 136 F C -1.227 174.319 175.800 -0.424 0.000 1.154 136 F CA -0.787 56.861 58.000 -0.587 0.000 0.931 136 F CB 1.332 40.000 39.000 -0.554 0.000 1.198 136 F HN 0.243 nan 8.300 nan 0.000 0.444 137 F N 5.783 125.817 119.950 0.140 0.000 2.404 137 F HA 0.327 4.854 4.527 -0.001 0.000 0.358 137 F C -0.701 174.985 175.800 -0.189 0.000 1.120 137 F CA -0.453 57.545 58.000 -0.004 0.000 1.144 137 F CB 0.611 39.620 39.000 0.015 0.000 1.133 137 F HN 0.301 nan 8.300 nan 0.000 0.495 138 Y N 1.899 122.136 120.300 -0.105 0.000 2.323 138 Y HA 0.414 4.964 4.550 -0.001 0.000 0.331 138 Y C -0.046 175.838 175.900 -0.028 0.000 1.092 138 Y CA -0.602 57.370 58.100 -0.214 0.000 1.150 138 Y CB 1.255 39.514 38.460 -0.334 0.000 1.200 138 Y HN 0.414 nan 8.280 nan 0.000 0.472 139 D N 1.701 122.203 120.400 0.171 0.000 2.668 139 D HA 0.136 4.776 4.640 -0.001 0.000 0.234 139 D C -1.515 174.962 176.300 0.296 0.000 1.349 139 D CA -0.104 53.988 54.000 0.153 0.000 0.889 139 D CB 0.600 41.477 40.800 0.128 0.000 1.520 139 D HN 0.370 nan 8.370 nan 0.000 0.521 140 S N 0.708 116.581 115.700 0.289 0.000 2.546 140 S HA 0.615 5.085 4.470 -0.001 0.000 0.272 140 S C 0.971 175.765 174.600 0.323 0.000 1.140 140 S CA -0.096 58.307 58.200 0.339 0.000 0.920 140 S CB 1.358 64.714 63.200 0.259 0.000 1.083 140 S HN 0.266 nan 8.310 nan 0.000 0.476 141 G N 1.821 110.833 108.800 0.352 0.000 2.848 141 G HA2 0.485 4.445 3.960 -0.001 0.000 0.208 141 G HA3 0.485 4.445 3.960 -0.001 0.000 0.208 141 G C 0.925 175.938 174.900 0.188 0.000 1.152 141 G CA 0.403 45.675 45.100 0.288 0.000 0.789 141 G HN 1.608 nan 8.290 nan 0.000 0.531 142 G N -1.245 107.673 108.800 0.198 0.000 2.306 142 G HA2 0.448 4.408 3.960 -0.001 0.000 0.262 142 G HA3 0.448 4.408 3.960 -0.001 0.000 0.262 142 G C 0.001 175.066 174.900 0.276 0.000 1.263 142 G CA -0.281 44.947 45.100 0.214 0.000 1.088 142 G HN 1.136 nan 8.290 nan 0.000 0.489 143 A N -0.260 122.743 122.820 0.305 0.000 2.406 143 A HA 0.663 4.982 4.320 -0.001 0.000 0.243 143 A C 0.890 178.561 177.584 0.145 0.000 1.082 143 A CA 0.780 53.017 52.037 0.332 0.000 0.786 143 A CB 0.317 19.537 19.000 0.365 0.000 1.029 143 A HN 1.039 nan 8.150 nan 0.000 0.495 144 R N 2.420 122.966 120.500 0.076 0.000 2.408 144 R HA 0.224 4.564 4.340 -0.001 0.000 0.308 144 R C 0.423 176.742 176.300 0.031 0.000 1.210 144 R CA -0.614 55.502 56.100 0.026 0.000 1.115 144 R CB -0.206 30.086 30.300 -0.014 0.000 1.127 144 R HN 0.731 nan 8.270 nan 0.000 0.523 145 I N 2.680 123.265 120.570 0.024 0.000 2.248 145 I HA -0.306 3.864 4.170 -0.001 0.000 0.248 145 I C 1.557 177.652 176.117 -0.036 0.000 1.107 145 I CA 1.451 62.748 61.300 -0.005 0.000 1.373 145 I CB -0.692 37.285 38.000 -0.038 0.000 1.055 145 I HN 0.617 nan 8.210 nan 0.000 0.418 146 Q N 0.554 120.343 119.800 -0.018 0.000 2.364 146 Q HA -0.149 4.190 4.340 -0.001 0.000 0.209 146 Q C 1.700 177.794 176.000 0.156 0.000 0.977 146 Q CA 0.954 56.789 55.803 0.053 0.000 0.885 146 Q CB -0.154 28.640 28.738 0.093 0.000 0.941 146 Q HN 0.571 nan 8.270 nan 0.000 0.464 147 E N -0.795 119.459 120.200 0.089 0.000 2.474 147 E HA 0.162 4.512 4.350 -0.001 0.000 0.195 147 E C 0.976 177.632 176.600 0.093 0.000 1.039 147 E CA 0.108 56.566 56.400 0.096 0.000 0.881 147 E CB 0.343 30.074 29.700 0.051 0.000 0.970 147 E HN 0.364 nan 8.360 nan 0.000 0.486 148 G N 2.750 111.600 108.800 0.083 0.000 2.672 148 G HA2 -0.415 3.544 3.960 -0.001 0.000 0.324 148 G HA3 -0.415 3.544 3.960 -0.001 0.000 0.324 148 G C 1.056 176.001 174.900 0.075 0.000 1.286 148 G CA 0.683 45.829 45.100 0.077 0.000 1.004 148 G HN 0.436 nan 8.290 nan 0.000 0.548 149 I N -1.328 119.286 120.570 0.073 0.000 2.850 149 I HA 0.035 4.205 4.170 -0.001 0.000 0.266 149 I C 1.616 177.763 176.117 0.051 0.000 1.257 149 I CA 2.293 63.632 61.300 0.065 0.000 1.465 149 I CB -0.380 37.654 38.000 0.056 0.000 1.091 149 I HN 0.263 nan 8.210 nan 0.000 0.467 150 D N 1.053 121.481 120.400 0.045 0.000 2.149 150 D HA -0.139 4.501 4.640 -0.001 0.000 0.201 150 D C 2.325 178.625 176.300 0.001 0.000 0.972 150 D CA 1.463 55.478 54.000 0.024 0.000 0.835 150 D CB 0.123 40.942 40.800 0.031 0.000 0.966 150 D HN 0.421 nan 8.370 nan 0.000 0.476 151 S N 0.304 116.010 115.700 0.009 0.000 2.368 151 S HA -0.110 4.360 4.470 -0.001 0.000 0.224 151 S C 1.935 176.527 174.600 -0.014 0.000 1.029 151 S CA 0.385 58.559 58.200 -0.042 0.000 0.988 151 S CB -0.212 62.992 63.200 0.007 0.000 0.838 151 S HN 0.138 nan 8.310 nan 0.000 0.462 152 L N 1.626 122.910 121.223 0.102 0.000 1.989 152 L HA -0.033 4.306 4.340 -0.001 0.000 0.211 152 L C 2.496 179.429 176.870 0.105 0.000 1.071 152 L CA 2.612 57.561 54.840 0.182 0.000 0.749 152 L CB -1.336 40.803 42.059 0.134 0.000 0.890 152 L HN 0.371 nan 8.230 nan 0.000 0.431 153 S N -0.570 115.152 115.700 0.037 0.000 2.383 153 S HA -0.134 4.335 4.470 -0.001 0.000 0.229 153 S C 2.038 176.611 174.600 -0.044 0.000 1.030 153 S CA 1.216 59.416 58.200 0.001 0.000 1.002 153 S CB -0.966 62.230 63.200 -0.007 0.000 0.829 153 S HN 0.718 nan 8.310 nan 0.000 0.467 154 G N -0.505 108.242 108.800 -0.089 0.000 2.440 154 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.218 154 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.218 154 G C 1.186 175.964 174.900 -0.203 0.000 1.154 154 G CA 1.022 46.030 45.100 -0.154 0.000 0.767 154 G HN 0.639 nan 8.290 nan 0.000 0.552 155 Y N 0.936 121.107 120.300 -0.215 0.000 2.145 155 Y HA -0.080 4.470 4.550 -0.001 0.000 0.286 155 Y C 3.155 178.535 175.900 -0.867 0.000 1.145 155 Y CA 0.664 58.422 58.100 -0.570 0.000 1.148 155 Y CB -0.381 37.799 38.460 -0.466 0.000 0.981 155 Y HN 0.247 nan 8.280 nan 0.000 0.507 156 G N 0.163 108.826 108.800 -0.229 0.000 2.476 156 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.218 156 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.218 156 G C 1.566 176.459 174.900 -0.013 0.000 1.164 156 G CA 1.187 46.240 45.100 -0.077 0.000 0.768 156 G HN 0.316 nan 8.290 nan 0.000 0.560 157 K N -0.591 119.787 120.400 -0.037 0.000 2.097 157 K HA 0.043 4.362 4.320 -0.001 0.000 0.206 157 K C 2.484 179.139 176.600 0.091 0.000 1.049 157 K CA 1.175 57.479 56.287 0.030 0.000 0.933 157 K CB -0.220 32.270 32.500 -0.016 0.000 0.717 157 K HN 0.341 nan 8.250 nan 0.000 0.442 158 M N 0.151 119.753 119.600 0.004 0.000 2.099 158 M HA -0.146 4.334 4.480 -0.001 0.000 0.262 158 M C 1.473 177.944 176.300 0.284 0.000 1.067 158 M CA 1.611 56.978 55.300 0.112 0.000 1.124 158 M CB 0.015 32.695 32.600 0.132 0.000 1.353 158 M HN -0.015 nan 8.290 nan 0.000 0.410 159 F N -0.159 119.945 119.950 0.257 0.000 2.126 159 F HA -0.198 4.329 4.527 -0.001 0.000 0.299 159 F C 2.220 178.126 175.800 0.178 0.000 1.096 159 F CA 1.082 59.209 58.000 0.212 0.000 1.255 159 F CB -1.697 37.415 39.000 0.187 0.000 0.997 159 F HN 0.181 nan 8.300 nan 0.000 0.479 160 F N 0.737 120.827 119.950 0.233 0.000 2.126 160 F HA -0.143 4.383 4.527 -0.001 0.000 0.299 160 F C 2.346 178.204 175.800 0.097 0.000 1.096 160 F CA 1.496 59.575 58.000 0.131 0.000 1.255 160 F CB -0.395 38.653 39.000 0.080 0.000 0.997 160 F HN -0.069 nan 8.300 nan 0.000 0.479 161 A N 0.134 123.086 122.820 0.219 0.000 1.930 161 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 161 A C 1.912 179.515 177.584 0.032 0.000 1.175 161 A CA 1.978 54.065 52.037 0.084 0.000 0.627 161 A CB -1.134 17.910 19.000 0.072 0.000 0.815 161 A HN 0.577 nan 8.150 nan 0.000 0.443 162 N N -0.263 118.511 118.700 0.125 0.000 2.104 162 N HA -0.128 4.612 4.740 -0.001 0.000 0.190 162 N C 1.474 177.016 175.510 0.054 0.000 1.024 162 N CA 1.542 54.679 53.050 0.145 0.000 0.853 162 N CB -0.201 38.432 38.487 0.244 0.000 1.008 162 N HN 0.270 nan 8.380 nan 0.000 0.424 163 V N 1.088 120.990 119.914 -0.020 0.000 2.453 163 V HA -0.188 3.931 4.120 -0.001 0.000 0.247 163 V C 2.210 178.205 176.094 -0.165 0.000 1.048 163 V CA 1.349 63.583 62.300 -0.110 0.000 1.049 163 V CB -0.439 31.273 31.823 -0.185 0.000 0.672 163 V HN 0.307 nan 8.190 nan 0.000 0.457 164 K N -0.114 120.145 120.400 -0.235 0.000 2.057 164 K HA -0.175 4.145 4.320 -0.001 0.000 0.207 164 K C 1.947 178.499 176.600 -0.080 0.000 1.049 164 K CA 1.500 57.667 56.287 -0.200 0.000 0.931 164 K CB -0.116 32.268 32.500 -0.193 0.000 0.714 164 K HN 0.304 nan 8.250 nan 0.000 0.440 165 L N 1.011 122.215 121.223 -0.032 0.000 2.395 165 L HA 0.056 4.395 4.340 -0.001 0.000 0.218 165 L C 0.970 177.890 176.870 0.082 0.000 1.130 165 L CA 0.673 55.532 54.840 0.030 0.000 0.826 165 L CB -0.300 41.789 42.059 0.051 0.000 0.941 165 L HN -0.000 nan 8.230 nan 0.000 0.451 166 S N 0.060 115.790 115.700 0.050 0.000 2.546 166 S HA 0.302 4.771 4.470 -0.001 0.000 0.290 166 S C 1.393 176.006 174.600 0.022 0.000 1.262 166 S CA 0.591 58.833 58.200 0.070 0.000 1.083 166 S CB -0.225 62.981 63.200 0.011 0.000 0.859 166 S HN 0.700 nan 8.310 nan 0.000 0.495 167 G N 2.917 111.755 108.800 0.064 0.000 2.179 167 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.260 167 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.260 167 G C 0.553 175.263 174.900 -0.316 0.000 0.977 167 G CA 0.362 45.304 45.100 -0.263 0.000 0.641 167 G HN 0.818 nan 8.290 nan 0.000 0.533 168 V N -0.536 119.400 119.914 0.036 0.000 2.743 168 V HA 0.424 4.544 4.120 -0.001 0.000 0.237 168 V C 1.298 177.594 176.094 0.336 0.000 1.113 168 V CA 1.416 63.761 62.300 0.074 0.000 1.141 168 V CB 0.762 32.616 31.823 0.052 0.000 0.873 168 V HN 1.131 nan 8.190 nan 0.000 0.486 169 V N -2.358 117.802 119.914 0.410 0.000 2.789 169 V HA 0.684 4.804 4.120 -0.001 0.000 0.311 169 V C -3.139 173.123 176.094 0.281 0.000 1.073 169 V CA -2.875 59.633 62.300 0.348 0.000 0.921 169 V CB 1.592 33.534 31.823 0.199 0.000 1.009 169 V HN 0.125 nan 8.190 nan 0.000 0.426 170 P HA 0.294 nan 4.420 nan 0.000 0.268 170 P C -0.977 176.411 177.300 0.147 0.000 1.204 170 P CA 0.258 63.280 63.100 -0.130 0.000 0.768 170 P CB 0.245 31.797 31.700 -0.247 0.000 0.842 171 Q N 2.252 122.189 119.800 0.227 0.000 2.325 171 Q HA 0.566 4.906 4.340 -0.001 0.000 0.270 171 Q C -0.696 175.419 176.000 0.192 0.000 1.020 171 Q CA -0.442 55.521 55.803 0.267 0.000 0.785 171 Q CB 1.868 30.812 28.738 0.343 0.000 1.259 171 Q HN 0.413 nan 8.270 nan 0.000 0.452 172 I N 1.770 122.401 120.570 0.102 0.000 2.436 172 I HA 0.567 4.737 4.170 -0.001 0.000 0.289 172 I C -0.534 175.593 176.117 0.017 0.000 1.010 172 I CA -0.779 60.558 61.300 0.061 0.000 1.098 172 I CB 1.826 39.805 38.000 -0.036 0.000 1.266 172 I HN 0.571 nan 8.210 nan 0.000 0.434 173 A N 7.885 130.755 122.820 0.084 0.000 2.292 173 A HA 0.797 5.117 4.320 -0.001 0.000 0.319 173 A C -0.538 177.059 177.584 0.020 0.000 1.206 173 A CA -0.414 51.708 52.037 0.142 0.000 0.835 173 A CB 0.493 19.555 19.000 0.103 0.000 1.164 173 A HN 0.692 nan 8.150 nan 0.000 0.505 174 I N 4.397 124.953 120.570 -0.024 0.000 2.390 174 I HA 0.221 4.390 4.170 -0.001 0.000 0.283 174 I C -0.743 175.424 176.117 0.083 0.000 1.016 174 I CA -0.520 60.731 61.300 -0.081 0.000 1.151 174 I CB 1.236 38.999 38.000 -0.395 0.000 1.293 174 I HN 0.419 nan 8.210 nan 0.000 0.458 175 I N 5.676 126.263 120.570 0.029 0.000 2.322 175 I HA 0.236 4.406 4.170 -0.001 0.000 0.292 175 I C 1.080 177.217 176.117 0.032 0.000 1.060 175 I CA 0.169 61.473 61.300 0.006 0.000 1.309 175 I CB 0.834 38.752 38.000 -0.136 0.000 1.415 175 I HN 0.630 nan 8.210 nan 0.000 0.492 176 A N 4.634 127.505 122.820 0.084 0.000 2.564 176 A HA 0.725 5.045 4.320 -0.001 0.000 0.279 176 A C 0.777 178.354 177.584 -0.011 0.000 1.232 176 A CA 0.261 52.337 52.037 0.066 0.000 0.950 176 A CB 0.210 19.303 19.000 0.156 0.000 1.138 176 A HN 0.829 nan 8.150 nan 0.000 0.526 177 G N -0.731 108.041 108.800 -0.046 0.000 2.435 177 G HA2 0.492 4.452 3.960 -0.001 0.000 0.296 177 G HA3 0.492 4.452 3.960 -0.001 0.000 0.296 177 G C -3.540 171.295 174.900 -0.109 0.000 1.240 177 G CA -0.672 44.350 45.100 -0.130 0.000 0.872 177 G HN -0.065 nan 8.290 nan 0.000 0.480 178 P HA 0.413 nan 4.420 nan 0.000 0.272 178 P C -0.426 176.844 177.300 -0.050 0.000 1.223 178 P CA -0.080 62.974 63.100 -0.077 0.000 0.784 178 P CB 1.290 32.980 31.700 -0.017 0.000 0.923 179 C N 2.833 122.053 119.300 -0.134 0.000 3.319 179 C HA 0.676 5.135 4.460 -0.001 0.000 0.258 179 C C -0.186 174.670 174.990 -0.223 0.000 1.068 179 C CA -0.102 58.839 59.018 -0.129 0.000 1.193 179 C CB -1.385 26.226 27.740 -0.216 0.000 1.770 179 C HN 0.648 nan 8.230 nan 0.000 0.604 180 A N 2.414 125.160 122.820 -0.124 0.000 2.282 180 A HA 0.922 5.242 4.320 -0.001 0.000 0.319 180 A C 0.952 178.524 177.584 -0.020 0.000 1.121 180 A CA 0.895 52.869 52.037 -0.104 0.000 0.836 180 A CB 0.402 19.441 19.000 0.066 0.000 1.146 180 A HN 2.538 nan 8.150 nan 0.000 0.494 181 G N 0.432 109.245 108.800 0.023 0.000 2.601 181 G HA2 0.090 4.049 3.960 -0.001 0.000 0.252 181 G HA3 0.090 4.049 3.960 -0.001 0.000 0.252 181 G C 1.175 175.978 174.900 -0.161 0.000 1.294 181 G CA 0.423 45.512 45.100 -0.018 0.000 0.912 181 G HN 2.007 nan 8.290 nan 0.000 0.574 182 G N -0.135 108.578 108.800 -0.146 0.000 2.501 182 G HA2 0.226 4.186 3.960 -0.001 0.000 0.220 182 G HA3 0.226 4.186 3.960 -0.001 0.000 0.220 182 G C 2.055 176.867 174.900 -0.147 0.000 1.114 182 G CA 2.615 47.638 45.100 -0.130 0.000 0.757 182 G HN 1.975 nan 8.290 nan 0.000 0.559 183 A N 0.898 123.584 122.820 -0.224 0.000 2.024 183 A HA -0.018 4.301 4.320 -0.001 0.000 0.220 183 A C 2.634 180.209 177.584 -0.015 0.000 1.164 183 A CA 2.070 54.125 52.037 0.030 0.000 0.643 183 A CB -0.491 18.617 19.000 0.181 0.000 0.806 183 A HN 0.313 nan 8.150 nan 0.000 0.451 184 S N -1.294 114.245 115.700 -0.268 0.000 2.440 184 S HA -0.174 4.295 4.470 -0.001 0.000 0.238 184 S C 1.536 175.896 174.600 -0.401 0.000 1.010 184 S CA 1.266 59.224 58.200 -0.405 0.000 0.972 184 S CB -0.624 62.283 63.200 -0.489 0.000 0.774 184 S HN 0.757 nan 8.310 nan 0.000 0.501 185 Y N 1.122 121.255 120.300 -0.278 0.000 2.352 185 Y HA -0.120 4.430 4.550 -0.001 0.000 0.292 185 Y C 2.913 178.597 175.900 -0.361 0.000 1.136 185 Y CA 0.792 58.602 58.100 -0.484 0.000 1.227 185 Y CB -0.190 37.665 38.460 -1.009 0.000 0.991 185 Y HN 0.303 nan 8.280 nan 0.000 0.545 186 S N 0.243 116.008 115.700 0.109 0.000 2.345 186 S HA -0.092 4.378 4.470 -0.001 0.000 0.220 186 S C -0.617 174.052 174.600 0.115 0.000 1.031 186 S CA 1.220 59.629 58.200 0.348 0.000 0.996 186 S CB -1.091 62.523 63.200 0.689 0.000 0.882 186 S HN 0.151 nan 8.310 nan 0.000 0.445 187 P HA -0.036 nan 4.420 nan 0.000 0.216 187 P C 1.432 178.674 177.300 -0.097 0.000 1.150 187 P CA 1.672 64.608 63.100 -0.273 0.000 0.843 187 P CB -0.257 31.093 31.700 -0.583 0.000 0.787 188 A N -0.955 121.802 122.820 -0.104 0.000 2.024 188 A HA -0.147 4.172 4.320 -0.001 0.000 0.220 188 A C 2.042 179.624 177.584 -0.004 0.000 1.164 188 A CA 1.398 53.406 52.037 -0.047 0.000 0.643 188 A CB -1.527 17.460 19.000 -0.022 0.000 0.806 188 A HN 0.175 nan 8.150 nan 0.000 0.451 189 L N 0.071 121.308 121.223 0.024 0.000 2.509 189 L HA 0.040 4.379 4.340 -0.001 0.000 0.222 189 L C 1.636 178.557 176.870 0.085 0.000 1.123 189 L CA 0.494 55.362 54.840 0.046 0.000 0.856 189 L CB -0.486 41.616 42.059 0.072 0.000 0.985 189 L HN 0.537 nan 8.230 nan 0.000 0.456 190 T N -4.268 110.348 114.554 0.104 0.000 2.771 190 T HA 0.068 4.418 4.350 -0.001 0.000 0.290 190 T C 0.770 175.470 174.700 -0.000 0.000 1.005 190 T CA -0.478 61.699 62.100 0.128 0.000 0.944 190 T CB 0.968 69.945 68.868 0.181 0.000 1.147 190 T HN -0.029 nan 8.240 nan 0.000 0.534 191 D N -0.643 119.718 120.400 -0.065 0.000 2.262 191 D HA 0.175 4.814 4.640 -0.001 0.000 0.212 191 D C -0.168 175.454 176.300 -1.129 0.000 0.964 191 D CA 0.955 54.678 54.000 -0.461 0.000 0.875 191 D CB 0.125 40.731 40.800 -0.323 0.000 0.996 191 D HN 0.464 nan 8.370 nan 0.000 0.497 192 F N 0.255 120.010 119.950 -0.325 0.000 2.569 192 F HA 0.452 4.979 4.527 -0.001 0.000 0.312 192 F C -0.200 175.558 175.800 -0.069 0.000 1.109 192 F CA -0.904 56.806 58.000 -0.484 0.000 0.919 192 F CB 2.097 40.969 39.000 -0.213 0.000 1.211 192 F HN -0.369 nan 8.300 nan 0.000 0.446 193 I N 4.389 125.184 120.570 0.375 0.000 2.378 193 I HA 0.441 4.610 4.170 -0.001 0.000 0.291 193 I C -0.746 175.552 176.117 0.302 0.000 0.992 193 I CA -0.538 60.905 61.300 0.239 0.000 1.154 193 I CB 1.656 39.717 38.000 0.103 0.000 1.315 193 I HN 0.454 nan 8.210 nan 0.000 0.448 194 I N 6.841 127.521 120.570 0.183 0.000 2.355 194 I HA 0.404 4.574 4.170 -0.001 0.000 0.288 194 I C -0.321 175.837 176.117 0.068 0.000 0.999 194 I CA -0.304 61.103 61.300 0.178 0.000 1.163 194 I CB 1.590 39.620 38.000 0.050 0.000 1.316 194 I HN 0.537 nan 8.210 nan 0.000 0.454 195 M N 6.854 126.488 119.600 0.058 0.000 2.243 195 M HA 0.384 4.864 4.480 -0.001 0.000 0.324 195 M C 0.122 176.420 176.300 -0.003 0.000 1.031 195 M CA -0.410 54.884 55.300 -0.010 0.000 0.949 195 M CB 1.677 34.241 32.600 -0.060 0.000 1.615 195 M HN 0.716 nan 8.290 nan 0.000 0.430 196 T N 1.088 115.633 114.554 -0.015 0.000 2.816 196 T HA 0.370 4.720 4.350 -0.001 0.000 0.282 196 T C 0.836 175.506 174.700 -0.051 0.000 0.993 196 T CA -0.689 61.404 62.100 -0.012 0.000 0.994 196 T CB 0.856 69.725 68.868 0.003 0.000 1.025 196 T HN 0.652 nan 8.240 nan 0.000 0.529 197 K N 0.273 120.651 120.400 -0.036 0.000 2.486 197 K HA 0.092 4.412 4.320 -0.001 0.000 0.194 197 K C 1.410 177.972 176.600 -0.063 0.000 1.033 197 K CA 0.463 56.719 56.287 -0.052 0.000 1.004 197 K CB 0.014 32.503 32.500 -0.018 0.000 0.798 197 K HN 0.493 nan 8.250 nan 0.000 0.495 198 K N -0.158 120.211 120.400 -0.051 0.000 2.367 198 K HA 0.175 4.495 4.320 -0.001 0.000 0.194 198 K C 0.709 177.284 176.600 -0.043 0.000 1.027 198 K CA -0.007 56.267 56.287 -0.022 0.000 1.075 198 K CB 0.549 33.039 32.500 -0.017 0.000 0.845 198 K HN -0.015 nan 8.250 nan 0.000 0.529 199 A N 0.894 123.624 122.820 -0.150 0.000 2.269 199 A HA 0.614 4.933 4.320 -0.001 0.000 0.319 199 A C -1.004 176.299 177.584 -0.468 0.000 1.110 199 A CA -0.314 51.617 52.037 -0.176 0.000 0.847 199 A CB 0.384 19.299 19.000 -0.142 0.000 1.161 199 A HN 0.315 nan 8.150 nan 0.000 0.497 200 H N -0.979 118.001 119.070 -0.149 0.000 2.996 200 H HA 0.673 5.228 4.556 -0.001 0.000 0.368 200 H C -0.806 174.256 175.328 -0.444 0.000 1.185 200 H CA -0.318 55.607 56.048 -0.204 0.000 1.160 200 H CB 1.844 31.513 29.762 -0.154 0.000 1.820 200 H HN 0.751 nan 8.280 nan 0.000 0.547 201 M N 3.498 122.860 119.600 -0.398 0.000 2.371 201 M HA 0.571 5.050 4.480 -0.001 0.000 0.287 201 M C -2.083 174.008 176.300 -0.348 0.000 1.149 201 M CA -0.679 54.303 55.300 -0.530 0.000 0.929 201 M CB 1.665 33.960 32.600 -0.508 0.000 1.683 201 M HN 0.582 nan 8.290 nan 0.000 0.470 202 F N 3.183 123.155 119.950 0.037 0.000 2.704 202 F HA 0.389 4.915 4.527 -0.001 0.000 0.312 202 F C -0.615 175.145 175.800 -0.067 0.000 1.108 202 F CA -1.197 56.815 58.000 0.021 0.000 1.005 202 F CB -0.126 38.895 39.000 0.036 0.000 1.277 202 F HN 0.364 nan 8.300 nan 0.000 0.445 203 I N 0.559 121.210 120.570 0.135 0.000 2.202 203 I HA -0.034 4.135 4.170 -0.001 0.000 0.242 203 I C 0.804 176.985 176.117 0.106 0.000 1.091 203 I CA 1.418 62.727 61.300 0.014 0.000 1.368 203 I CB -0.795 37.180 38.000 -0.041 0.000 1.058 203 I HN 0.668 nan 8.210 nan 0.000 0.410 204 T N 1.262 115.879 114.554 0.105 0.000 2.812 204 T HA 0.589 4.939 4.350 -0.001 0.000 0.282 204 T C 0.301 174.921 174.700 -0.133 0.000 0.990 204 T CA -0.566 61.549 62.100 0.025 0.000 0.960 204 T CB 2.018 70.880 68.868 -0.011 0.000 0.948 204 T HN 0.305 nan 8.240 nan 0.000 0.438 205 G N 2.683 111.346 108.800 -0.229 0.000 2.562 205 G HA2 0.398 4.358 3.960 -0.001 0.000 0.275 205 G HA3 0.398 4.358 3.960 -0.001 0.000 0.275 205 G C -1.631 172.990 174.900 -0.465 0.000 1.196 205 G CA -1.541 43.154 45.100 -0.675 0.000 0.908 205 G HN 0.384 nan 8.290 nan 0.000 0.524 206 P HA -0.165 nan 4.420 nan 0.000 0.216 206 P C 1.614 178.813 177.300 -0.168 0.000 1.153 206 P CA 1.327 64.261 63.100 -0.277 0.000 0.858 206 P CB 0.208 31.765 31.700 -0.239 0.000 0.789 207 Q N -0.495 119.218 119.800 -0.146 0.000 1.948 207 Q HA -0.127 4.213 4.340 -0.001 0.000 0.205 207 Q C 2.184 178.141 176.000 -0.073 0.000 0.992 207 Q CA 1.546 57.297 55.803 -0.086 0.000 0.849 207 Q CB -1.875 26.827 28.738 -0.060 0.000 0.918 207 Q HN 0.070 nan 8.270 nan 0.000 0.421 208 V N 0.630 120.500 119.914 -0.073 0.000 2.469 208 V HA -0.221 3.899 4.120 -0.001 0.000 0.251 208 V C 2.104 178.163 176.094 -0.058 0.000 1.064 208 V CA 1.455 63.724 62.300 -0.052 0.000 1.066 208 V CB -0.605 31.195 31.823 -0.038 0.000 0.667 208 V HN 0.335 nan 8.190 nan 0.000 0.461 209 I N -0.159 120.360 120.570 -0.085 0.000 2.315 209 I HA -0.249 3.921 4.170 -0.001 0.000 0.248 209 I C 2.552 178.633 176.117 -0.060 0.000 1.117 209 I CA 1.671 62.925 61.300 -0.077 0.000 1.404 209 I CB -0.287 37.650 38.000 -0.106 0.000 1.071 209 I HN 0.266 nan 8.210 nan 0.000 0.419 210 K N 0.502 120.864 120.400 -0.063 0.000 2.148 210 K HA -0.111 4.208 4.320 -0.001 0.000 0.204 210 K C 2.195 178.774 176.600 -0.036 0.000 1.050 210 K CA 1.305 57.563 56.287 -0.048 0.000 0.942 210 K CB 0.116 32.587 32.500 -0.048 0.000 0.724 210 K HN 0.118 nan 8.250 nan 0.000 0.446 211 S N 0.005 115.684 115.700 -0.034 0.000 2.357 211 S HA -0.087 4.383 4.470 -0.001 0.000 0.221 211 S C 1.864 176.451 174.600 -0.021 0.000 1.031 211 S CA 1.222 59.407 58.200 -0.025 0.000 0.982 211 S CB -0.026 63.161 63.200 -0.022 0.000 0.853 211 S HN 0.108 nan 8.310 nan 0.000 0.458 212 V N 1.607 121.507 119.914 -0.022 0.000 2.283 212 V HA -0.033 4.087 4.120 -0.001 0.000 0.243 212 V C 1.586 177.669 176.094 -0.018 0.000 1.039 212 V CA 1.577 63.866 62.300 -0.018 0.000 1.016 212 V CB -0.962 30.851 31.823 -0.017 0.000 0.650 212 V HN 0.670 nan 8.190 nan 0.000 0.449 213 T N -2.162 112.378 114.554 -0.023 0.000 2.922 213 T HA 0.550 4.899 4.350 -0.001 0.000 0.281 213 T C 0.871 175.557 174.700 -0.024 0.000 1.005 213 T CA 0.070 62.157 62.100 -0.022 0.000 0.982 213 T CB 1.619 70.473 68.868 -0.024 0.000 1.158 213 T HN 0.240 nan 8.240 nan 0.000 0.566 214 G N -0.511 108.276 108.800 -0.022 0.000 3.284 214 G HA2 0.224 4.184 3.960 -0.001 0.000 0.236 214 G HA3 0.224 4.184 3.960 -0.001 0.000 0.236 214 G C 0.096 174.980 174.900 -0.026 0.000 1.158 214 G CA -0.405 44.682 45.100 -0.022 0.000 0.774 214 G HN 0.772 nan 8.290 nan 0.000 0.545 215 E N 1.480 121.662 120.200 -0.031 0.000 2.376 215 E HA 0.143 4.492 4.350 -0.001 0.000 0.266 215 E C -0.769 175.806 176.600 -0.042 0.000 1.009 215 E CA 0.209 56.587 56.400 -0.035 0.000 0.902 215 E CB 0.847 30.523 29.700 -0.039 0.000 0.972 215 E HN 0.099 nan 8.360 nan 0.000 0.439 216 D N 2.595 122.972 120.400 -0.038 0.000 2.349 216 D HA 0.334 4.973 4.640 -0.001 0.000 0.232 216 D C -1.191 175.082 176.300 -0.045 0.000 1.071 216 D CA -0.189 53.786 54.000 -0.041 0.000 0.832 216 D CB 1.878 42.660 40.800 -0.031 0.000 1.086 216 D HN 0.090 nan 8.370 nan 0.000 0.504 217 V N 1.966 121.845 119.914 -0.058 0.000 3.048 217 V HA 0.425 4.545 4.120 -0.001 0.000 0.303 217 V C -0.265 175.789 176.094 -0.068 0.000 1.214 217 V CA -0.532 61.733 62.300 -0.058 0.000 0.984 217 V CB 2.332 34.113 31.823 -0.071 0.000 1.054 217 V HN 0.669 nan 8.190 nan 0.000 0.430 218 T N 3.078 117.606 114.554 -0.043 0.000 2.874 218 T HA 0.642 4.992 4.350 -0.001 0.000 0.281 218 T C 1.297 175.980 174.700 -0.028 0.000 0.994 218 T CA 0.224 62.302 62.100 -0.037 0.000 1.015 218 T CB 1.629 70.492 68.868 -0.009 0.000 1.028 218 T HN 1.421 nan 8.240 nan 0.000 0.523 219 A N 0.640 123.446 122.820 -0.023 0.000 1.933 219 A HA -0.072 4.248 4.320 -0.001 0.000 0.218 219 A C 2.074 179.834 177.584 0.294 0.000 1.175 219 A CA 1.780 53.870 52.037 0.088 0.000 0.628 219 A CB -1.120 17.890 19.000 0.016 0.000 0.814 219 A HN 0.937 nan 8.150 nan 0.000 0.444 220 D N -0.344 120.178 120.400 0.204 0.000 2.097 220 D HA -0.125 4.515 4.640 -0.001 0.000 0.195 220 D C 2.001 178.407 176.300 0.176 0.000 0.989 220 D CA 1.497 55.694 54.000 0.328 0.000 0.827 220 D CB -0.208 40.728 40.800 0.227 0.000 0.966 220 D HN 0.644 nan 8.370 nan 0.000 0.456 221 E N -0.407 119.849 120.200 0.092 0.000 2.106 221 E HA -0.148 4.202 4.350 -0.001 0.000 0.192 221 E C 2.001 178.612 176.600 0.018 0.000 0.984 221 E CA 0.355 56.775 56.400 0.035 0.000 0.806 221 E CB 0.015 29.719 29.700 0.008 0.000 0.750 221 E HN 0.176 nan 8.360 nan 0.000 0.458 222 L N -0.332 120.917 121.223 0.043 0.000 2.023 222 L HA 0.052 4.391 4.340 -0.001 0.000 0.205 222 L C 1.539 178.454 176.870 0.076 0.000 1.073 222 L CA 2.075 56.932 54.840 0.028 0.000 0.745 222 L CB -0.061 41.969 42.059 -0.047 0.000 0.900 222 L HN 0.090 nan 8.230 nan 0.000 0.435 223 G N -1.018 107.953 108.800 0.284 0.000 4.867 223 G HA2 0.442 4.402 3.960 -0.001 0.000 0.258 223 G HA3 0.442 4.402 3.960 -0.001 0.000 0.258 223 G C 0.284 175.291 174.900 0.178 0.000 0.999 223 G CA 0.125 45.345 45.100 0.199 0.000 0.797 223 G HN 0.597 nan 8.290 nan 0.000 0.505 224 G N -0.704 108.142 108.800 0.078 0.000 2.580 224 G HA2 0.499 4.458 3.960 -0.001 0.000 0.278 224 G HA3 0.499 4.458 3.960 -0.001 0.000 0.278 224 G C 1.322 176.197 174.900 -0.040 0.000 1.212 224 G CA 0.324 45.351 45.100 -0.121 0.000 0.939 224 G HN 0.525 nan 8.290 nan 0.000 0.513 225 A N -0.412 122.355 122.820 -0.089 0.000 1.948 225 A HA -0.082 4.237 4.320 -0.001 0.000 0.220 225 A C 2.162 179.748 177.584 0.003 0.000 1.177 225 A CA 2.013 54.041 52.037 -0.015 0.000 0.636 225 A CB -0.332 18.642 19.000 -0.042 0.000 0.815 225 A HN 0.573 nan 8.150 nan 0.000 0.449 226 E N -0.160 120.029 120.200 -0.018 0.000 2.072 226 E HA -0.090 4.260 4.350 -0.001 0.000 0.191 226 E C 2.380 178.961 176.600 -0.031 0.000 0.985 226 E CA 1.191 57.583 56.400 -0.014 0.000 0.801 226 E CB -0.689 29.005 29.700 -0.010 0.000 0.750 226 E HN 0.587 nan 8.360 nan 0.000 0.452 227 A N 1.716 124.492 122.820 -0.073 0.000 1.877 227 A HA -0.207 4.112 4.320 -0.001 0.000 0.216 227 A C 2.015 179.483 177.584 -0.193 0.000 1.186 227 A CA 1.476 53.429 52.037 -0.140 0.000 0.620 227 A CB -0.763 18.114 19.000 -0.204 0.000 0.822 227 A HN 0.253 nan 8.150 nan 0.000 0.443 228 H N -1.711 117.321 119.070 -0.064 0.000 2.353 228 H HA -0.110 4.445 4.556 -0.001 0.000 0.300 228 H C 2.100 177.332 175.328 -0.161 0.000 1.090 228 H CA 2.080 58.058 56.048 -0.117 0.000 1.327 228 H CB -0.355 29.326 29.762 -0.135 0.000 1.383 228 H HN 0.544 nan 8.280 nan 0.000 0.508 229 M N 0.773 120.372 119.600 -0.001 0.000 2.064 229 M HA -0.016 4.463 4.480 -0.001 0.000 0.260 229 M C 2.415 178.737 176.300 0.037 0.000 1.073 229 M CA 2.047 57.323 55.300 -0.040 0.000 1.124 229 M CB -0.569 32.025 32.600 -0.010 0.000 1.326 229 M HN 0.132 nan 8.290 nan 0.000 0.410 230 A N -0.678 122.180 122.820 0.064 0.000 1.970 230 A HA 0.090 4.410 4.320 -0.001 0.000 0.216 230 A C 2.063 179.758 177.584 0.185 0.000 1.170 230 A CA 1.606 53.720 52.037 0.128 0.000 0.645 230 A CB -0.680 18.347 19.000 0.045 0.000 0.816 230 A HN 0.611 nan 8.150 nan 0.000 0.447 231 I N -1.692 118.930 120.570 0.088 0.000 2.900 231 I HA -0.034 4.136 4.170 -0.001 0.000 0.251 231 I C 2.349 178.517 176.117 0.086 0.000 1.102 231 I CA 0.893 62.242 61.300 0.081 0.000 1.457 231 I CB -0.322 37.675 38.000 -0.005 0.000 1.285 231 I HN 0.110 nan 8.210 nan 0.000 0.459 232 S N 0.675 116.351 115.700 -0.041 0.000 2.428 232 S HA 0.017 4.487 4.470 -0.001 0.000 0.230 232 S C 1.664 176.121 174.600 -0.238 0.000 1.014 232 S CA 0.953 59.108 58.200 -0.074 0.000 0.957 232 S CB -0.242 62.931 63.200 -0.046 0.000 0.784 232 S HN 0.705 nan 8.310 nan 0.000 0.499 233 G N 1.600 110.032 108.800 -0.614 0.000 2.179 233 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.257 233 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.257 233 G C 0.410 174.892 174.900 -0.698 0.000 1.010 233 G CA 0.600 44.818 45.100 -1.470 0.000 0.736 233 G HN 0.598 nan 8.290 nan 0.000 0.513 234 N N -0.489 117.984 118.700 -0.379 0.000 2.424 234 N HA 0.277 5.017 4.740 -0.001 0.000 0.178 234 N C 1.185 176.503 175.510 -0.320 0.000 1.060 234 N CA 0.821 53.717 53.050 -0.258 0.000 0.901 234 N CB 0.243 38.666 38.487 -0.106 0.000 0.979 234 N HN 0.830 nan 8.380 nan 0.000 0.451 235 I N -3.297 117.058 120.570 -0.358 0.000 2.957 235 I HA 0.393 4.562 4.170 -0.001 0.000 0.310 235 I C -0.141 175.696 176.117 -0.467 0.000 1.063 235 I CA -0.796 60.326 61.300 -0.297 0.000 1.033 235 I CB 1.714 39.635 38.000 -0.131 0.000 1.230 235 I HN -0.166 nan 8.210 nan 0.000 0.447 236 H N 1.822 120.833 119.070 -0.098 0.000 2.604 236 H HA 0.462 5.018 4.556 -0.001 0.000 0.273 236 H C -0.993 173.930 175.328 -0.675 0.000 0.971 236 H CA 0.523 56.390 56.048 -0.302 0.000 1.249 236 H CB 0.363 30.074 29.762 -0.084 0.000 1.449 236 H HN 0.434 nan 8.280 nan 0.000 0.512 237 F N -0.332 119.689 119.950 0.120 0.000 2.608 237 F HA 0.460 4.987 4.527 -0.001 0.000 0.309 237 F C -0.791 175.022 175.800 0.022 0.000 1.103 237 F CA -1.282 56.754 58.000 0.060 0.000 0.954 237 F CB 1.793 40.825 39.000 0.052 0.000 1.267 237 F HN -0.337 nan 8.300 nan 0.000 0.444 238 V N 2.197 122.224 119.914 0.189 0.000 2.532 238 V HA 0.874 4.994 4.120 -0.001 0.000 0.295 238 V C -0.343 175.812 176.094 0.102 0.000 1.041 238 V CA -0.661 61.699 62.300 0.100 0.000 0.926 238 V CB 1.529 33.384 31.823 0.054 0.000 0.992 238 V HN 0.902 nan 8.190 nan 0.000 0.457 239 A N 2.648 125.504 122.820 0.061 0.000 2.393 239 A HA 0.683 5.003 4.320 -0.001 0.000 0.306 239 A C 0.588 178.186 177.584 0.023 0.000 1.050 239 A CA -0.465 51.598 52.037 0.043 0.000 0.724 239 A CB 1.365 20.387 19.000 0.037 0.000 1.248 239 A HN 0.718 nan 8.150 nan 0.000 0.424 240 E N 0.915 121.126 120.200 0.018 0.000 2.077 240 E HA -0.097 4.253 4.350 -0.001 0.000 0.193 240 E C 0.062 176.666 176.600 0.007 0.000 0.989 240 E CA 2.080 58.486 56.400 0.010 0.000 0.800 240 E CB -0.021 29.683 29.700 0.008 0.000 0.746 240 E HN 0.902 nan 8.360 nan 0.000 0.452 241 D N -2.373 118.033 120.400 0.010 0.000 2.825 241 D HA 0.093 4.733 4.640 -0.001 0.000 0.327 241 D C 0.265 176.578 176.300 0.021 0.000 1.277 241 D CA -0.570 53.436 54.000 0.010 0.000 0.950 241 D CB -0.025 40.776 40.800 0.003 0.000 1.438 241 D HN -0.407 nan 8.370 nan 0.000 0.526 242 D N -0.416 119.998 120.400 0.023 0.000 2.123 242 D HA -0.123 4.517 4.640 -0.001 0.000 0.196 242 D C 1.090 177.413 176.300 0.037 0.000 0.992 242 D CA 1.189 55.215 54.000 0.043 0.000 0.833 242 D CB -0.168 40.635 40.800 0.005 0.000 0.954 242 D HN 0.375 nan 8.370 nan 0.000 0.455 243 D N 0.364 120.768 120.400 0.007 0.000 2.104 243 D HA -0.130 4.510 4.640 -0.001 0.000 0.194 243 D C 1.996 178.297 176.300 0.001 0.000 0.994 243 D CA 1.440 55.438 54.000 -0.003 0.000 0.830 243 D CB -0.258 40.532 40.800 -0.017 0.000 0.959 243 D HN 0.169 nan 8.370 nan 0.000 0.452 244 A N 0.834 123.655 122.820 0.002 0.000 1.930 244 A HA 0.018 4.337 4.320 -0.001 0.000 0.217 244 A C 2.304 179.883 177.584 -0.008 0.000 1.175 244 A CA 2.011 54.046 52.037 -0.004 0.000 0.627 244 A CB -0.601 18.400 19.000 0.003 0.000 0.815 244 A HN 0.231 nan 8.150 nan 0.000 0.443 245 A N -0.072 122.758 122.820 0.016 0.000 1.933 245 A HA -0.164 4.155 4.320 -0.001 0.000 0.218 245 A C 1.884 179.462 177.584 -0.010 0.000 1.175 245 A CA 1.728 53.772 52.037 0.010 0.000 0.628 245 A CB -0.476 18.566 19.000 0.070 0.000 0.814 245 A HN 0.623 nan 8.150 nan 0.000 0.444 246 E N -0.176 120.051 120.200 0.044 0.000 2.106 246 E HA -0.095 4.255 4.350 -0.001 0.000 0.192 246 E C 1.916 178.496 176.600 -0.033 0.000 0.984 246 E CA 1.024 57.449 56.400 0.042 0.000 0.806 246 E CB -0.239 29.509 29.700 0.080 0.000 0.750 246 E HN 0.620 nan 8.360 nan 0.000 0.458 247 L N 0.540 121.738 121.223 -0.042 0.000 2.056 247 L HA -0.162 4.177 4.340 -0.001 0.000 0.207 247 L C 2.387 179.193 176.870 -0.107 0.000 1.078 247 L CA 0.897 55.699 54.840 -0.064 0.000 0.749 247 L CB -0.325 41.704 42.059 -0.050 0.000 0.901 247 L HN 0.179 nan 8.230 nan 0.000 0.433 248 I N -0.076 120.411 120.570 -0.138 0.000 2.226 248 I HA -0.289 3.880 4.170 -0.001 0.000 0.245 248 I C 2.823 178.743 176.117 -0.329 0.000 1.100 248 I CA 1.169 62.314 61.300 -0.259 0.000 1.374 248 I CB -0.460 37.344 38.000 -0.327 0.000 1.057 248 I HN 0.201 nan 8.210 nan 0.000 0.413 249 A N 0.940 123.605 122.820 -0.259 0.000 1.908 249 A HA -0.245 4.074 4.320 -0.001 0.000 0.218 249 A C 2.315 179.775 177.584 -0.206 0.000 1.181 249 A CA 1.808 53.692 52.037 -0.256 0.000 0.627 249 A CB -0.470 18.399 19.000 -0.218 0.000 0.818 249 A HN 0.337 nan 8.150 nan 0.000 0.445 250 K N -0.615 119.694 120.400 -0.153 0.000 2.057 250 K HA -0.155 4.164 4.320 -0.001 0.000 0.206 250 K C 2.202 178.717 176.600 -0.142 0.000 1.050 250 K CA 1.573 57.784 56.287 -0.127 0.000 0.935 250 K CB -0.123 32.319 32.500 -0.096 0.000 0.715 250 K HN 0.328 nan 8.250 nan 0.000 0.439 251 K N 1.544 121.862 120.400 -0.137 0.000 2.026 251 K HA -0.148 4.171 4.320 -0.001 0.000 0.208 251 K C 1.943 178.526 176.600 -0.028 0.000 1.048 251 K CA 1.031 57.262 56.287 -0.094 0.000 0.929 251 K CB -0.462 32.012 32.500 -0.044 0.000 0.713 251 K HN 0.032 nan 8.250 nan 0.000 0.439 252 L N 0.431 121.574 121.223 -0.133 0.000 1.994 252 L HA -0.064 4.276 4.340 -0.001 0.000 0.208 252 L C 2.067 178.840 176.870 -0.163 0.000 1.071 252 L CA 1.650 56.382 54.840 -0.179 0.000 0.745 252 L CB -0.916 40.849 42.059 -0.490 0.000 0.892 252 L HN 0.331 nan 8.230 nan 0.000 0.431 253 L N -0.271 120.841 121.223 -0.185 0.000 2.131 253 L HA -0.171 4.169 4.340 -0.001 0.000 0.210 253 L C 2.744 179.529 176.870 -0.141 0.000 1.092 253 L CA 1.973 56.722 54.840 -0.152 0.000 0.759 253 L CB -0.863 41.120 42.059 -0.127 0.000 0.903 253 L HN 0.647 nan 8.230 nan 0.000 0.435 254 S N -1.408 114.179 115.700 -0.189 0.000 2.440 254 S HA -0.197 4.273 4.470 -0.001 0.000 0.238 254 S C 1.763 176.161 174.600 -0.337 0.000 1.010 254 S CA 1.309 59.342 58.200 -0.277 0.000 0.972 254 S CB -1.030 61.934 63.200 -0.393 0.000 0.774 254 S HN 0.465 nan 8.310 nan 0.000 0.501 255 F N 1.493 121.325 119.950 -0.196 0.000 2.743 255 F HA 0.449 4.976 4.527 -0.001 0.000 0.297 255 F C 0.857 176.536 175.800 -0.201 0.000 1.131 255 F CA -0.231 57.638 58.000 -0.218 0.000 1.426 255 F CB -0.045 38.682 39.000 -0.455 0.000 1.116 255 F HN 0.097 nan 8.300 nan 0.000 0.583 256 L N 1.532 122.731 121.223 -0.039 0.000 2.344 256 L HA 0.421 4.761 4.340 -0.001 0.000 0.272 256 L C -2.177 174.694 176.870 0.001 0.000 1.035 256 L CA -2.235 52.590 54.840 -0.025 0.000 0.807 256 L CB 0.818 42.830 42.059 -0.078 0.000 1.237 256 L HN -0.294 nan 8.230 nan 0.000 0.442 257 P HA 0.131 nan 4.420 nan 0.000 0.278 257 P C -0.445 176.878 177.300 0.038 0.000 1.266 257 P CA -0.503 62.639 63.100 0.071 0.000 0.807 257 P CB 1.084 32.869 31.700 0.142 0.000 1.094 258 Q N 0.324 120.162 119.800 0.064 0.000 2.119 258 Q HA -0.067 4.273 4.340 -0.001 0.000 0.201 258 Q C 0.593 176.657 176.000 0.106 0.000 0.972 258 Q CA 1.699 57.542 55.803 0.067 0.000 0.847 258 Q CB -0.302 28.481 28.738 0.074 0.000 0.903 258 Q HN 0.697 nan 8.270 nan 0.000 0.433 259 N N -1.710 117.090 118.700 0.167 0.000 3.106 259 N HA -0.004 4.736 4.740 -0.001 0.000 0.253 259 N C -0.184 175.519 175.510 0.322 0.000 1.506 259 N CA -0.360 52.852 53.050 0.270 0.000 0.876 259 N CB -0.270 38.318 38.487 0.169 0.000 1.452 259 N HN -0.214 nan 8.380 nan 0.000 0.542 260 N N -1.787 117.060 118.700 0.244 0.000 2.609 260 N HA -0.112 4.628 4.740 -0.001 0.000 0.190 260 N C 0.553 176.069 175.510 0.011 0.000 1.157 260 N CA 1.361 54.418 53.050 0.011 0.000 0.918 260 N CB -0.713 37.616 38.487 -0.265 0.000 0.978 260 N HN 0.768 nan 8.380 nan 0.000 0.448 261 T N -4.271 110.314 114.554 0.052 0.000 3.107 261 T HA 0.202 4.552 4.350 -0.001 0.000 0.249 261 T C 0.084 174.813 174.700 0.049 0.000 1.096 261 T CA -0.244 61.876 62.100 0.034 0.000 1.012 261 T CB -0.016 68.871 68.868 0.032 0.000 0.977 261 T HN 0.264 nan 8.240 nan 0.000 0.527 262 E N 0.370 120.616 120.200 0.077 0.000 2.392 262 E HA 0.548 4.897 4.350 -0.001 0.000 0.269 262 E C -1.132 175.531 176.600 0.106 0.000 0.924 262 E CA -0.957 55.492 56.400 0.081 0.000 0.784 262 E CB 2.000 31.748 29.700 0.079 0.000 1.292 262 E HN 0.340 nan 8.360 nan 0.000 0.447 263 E N 0.617 120.880 120.200 0.106 0.000 2.214 263 E HA 0.536 4.885 4.350 -0.001 0.000 0.274 263 E C -0.975 175.716 176.600 0.151 0.000 0.977 263 E CA -0.751 55.734 56.400 0.142 0.000 0.827 263 E CB 1.203 30.998 29.700 0.160 0.000 1.130 263 E HN 0.573 nan 8.360 nan 0.000 0.394 264 A N 2.641 125.564 122.820 0.173 0.000 2.531 264 A HA 0.130 4.449 4.320 -0.001 0.000 0.236 264 A C 0.010 177.720 177.584 0.209 0.000 1.062 264 A CA -0.009 52.123 52.037 0.157 0.000 0.760 264 A CB 0.212 19.300 19.000 0.147 0.000 0.995 264 A HN 0.617 nan 8.150 nan 0.000 0.501 265 S N 1.368 117.159 115.700 0.151 0.000 2.562 265 S HA 0.349 4.819 4.470 -0.001 0.000 0.281 265 S C -0.003 174.783 174.600 0.310 0.000 1.333 265 S CA -0.186 58.114 58.200 0.166 0.000 1.052 265 S CB -0.072 63.175 63.200 0.079 0.000 0.884 265 S HN 0.383 nan 8.310 nan 0.000 0.506 266 F N 1.784 121.756 119.950 0.037 0.000 2.506 266 F HA 0.282 4.809 4.527 -0.001 0.000 0.351 266 F C 0.540 176.359 175.800 0.030 0.000 1.136 266 F CA -0.931 57.097 58.000 0.047 0.000 1.298 266 F CB 0.085 39.119 39.000 0.058 0.000 1.145 266 F HN 0.124 nan 8.300 nan 0.000 0.593 267 V N 2.666 122.691 119.914 0.184 0.000 2.638 267 V HA 0.236 4.355 4.120 -0.001 0.000 0.306 267 V C -0.059 176.122 176.094 0.144 0.000 1.052 267 V CA -1.532 60.829 62.300 0.101 0.000 0.885 267 V CB 1.641 33.453 31.823 -0.017 0.000 0.999 267 V HN 0.770 nan 8.190 nan 0.000 0.424 268 N N 4.078 122.865 118.700 0.145 0.000 2.722 268 N HA -0.133 4.607 4.740 -0.001 0.000 0.274 268 N C -2.086 173.670 175.510 0.409 0.000 0.987 268 N CA 0.323 53.501 53.050 0.213 0.000 0.817 268 N CB -0.231 38.316 38.487 0.099 0.000 0.921 268 N HN 0.502 nan 8.380 nan 0.000 0.565 269 P HA 0.054 nan 4.420 nan 0.000 0.268 269 P C -0.581 176.852 177.300 0.221 0.000 1.204 269 P CA 0.018 63.248 63.100 0.218 0.000 0.768 269 P CB 0.621 32.430 31.700 0.181 0.000 0.842 270 N N 3.001 121.650 118.700 -0.084 0.000 2.501 270 N HA 0.107 4.847 4.740 -0.001 0.000 0.245 270 N C 0.166 175.553 175.510 -0.206 0.000 0.974 270 N CA -0.319 52.510 53.050 -0.369 0.000 0.941 270 N CB -0.367 37.370 38.487 -1.249 0.000 1.122 270 N HN 0.239 nan 8.380 nan 0.000 0.507 271 N N 1.589 120.246 118.700 -0.070 0.000 2.461 271 N HA -0.069 4.670 4.740 -0.001 0.000 0.188 271 N C -0.596 174.882 175.510 -0.053 0.000 1.134 271 N CA -0.100 52.930 53.050 -0.034 0.000 0.878 271 N CB 0.240 38.743 38.487 0.026 0.000 0.972 271 N HN 0.587 nan 8.380 nan 0.000 0.456 272 D N 0.241 120.585 120.400 -0.095 0.000 2.382 272 D HA 0.069 4.708 4.640 -0.001 0.000 0.245 272 D C 0.437 176.687 176.300 -0.084 0.000 1.120 272 D CA -0.182 53.772 54.000 -0.077 0.000 0.890 272 D CB 1.056 41.804 40.800 -0.086 0.000 1.201 272 D HN -0.042 nan 8.370 nan 0.000 0.433 273 V N 0.006 119.887 119.914 -0.055 0.000 3.070 273 V HA 0.347 4.467 4.120 -0.001 0.000 0.355 273 V C 0.203 176.270 176.094 -0.045 0.000 1.400 273 V CA -0.670 61.599 62.300 -0.051 0.000 1.170 273 V CB -0.236 31.564 31.823 -0.038 0.000 1.169 273 V HN 0.356 nan 8.190 nan 0.000 0.554 274 S N 3.067 118.741 115.700 -0.043 0.000 2.573 274 S HA 0.390 4.859 4.470 -0.001 0.000 0.277 274 S C -1.991 172.584 174.600 -0.042 0.000 1.346 274 S CA -0.003 58.175 58.200 -0.037 0.000 1.034 274 S CB 0.351 63.533 63.200 -0.030 0.000 0.879 274 S HN 0.503 nan 8.310 nan 0.000 0.528 275 P HA 0.237 nan 4.420 nan 0.000 0.272 275 P C -0.558 176.713 177.300 -0.049 0.000 1.223 275 P CA -0.327 62.741 63.100 -0.054 0.000 0.784 275 P CB 0.368 32.033 31.700 -0.059 0.000 0.923 276 N N 0.610 119.276 118.700 -0.057 0.000 2.577 276 N HA 0.074 4.813 4.740 -0.001 0.000 0.275 276 N C 0.630 176.099 175.510 -0.068 0.000 1.091 276 N CA -0.190 52.833 53.050 -0.046 0.000 0.843 276 N CB 0.607 39.078 38.487 -0.026 0.000 1.295 276 N HN 0.300 nan 8.380 nan 0.000 0.530 277 T N -0.257 114.256 114.554 -0.068 0.000 2.977 277 T HA -0.084 4.265 4.350 -0.001 0.000 0.271 277 T C 1.089 175.738 174.700 -0.085 0.000 1.105 277 T CA 1.098 63.145 62.100 -0.089 0.000 1.116 277 T CB -0.054 68.772 68.868 -0.071 0.000 0.878 277 T HN 0.509 nan 8.240 nan 0.000 0.509 278 E N 0.843 121.011 120.200 -0.053 0.000 2.209 278 E HA -0.032 4.318 4.350 -0.001 0.000 0.196 278 E C 1.976 178.550 176.600 -0.044 0.000 0.993 278 E CA 0.880 57.259 56.400 -0.035 0.000 0.819 278 E CB -0.412 29.283 29.700 -0.008 0.000 0.745 278 E HN 0.513 nan 8.360 nan 0.000 0.477 279 L N 0.450 121.635 121.223 -0.064 0.000 2.191 279 L HA -0.184 4.156 4.340 -0.001 0.000 0.212 279 L C 2.280 179.030 176.870 -0.199 0.000 1.103 279 L CA 1.067 55.868 54.840 -0.065 0.000 0.769 279 L CB -0.160 41.848 42.059 -0.084 0.000 0.908 279 L HN 0.043 nan 8.230 nan 0.000 0.438 280 R N -0.347 120.004 120.500 -0.249 0.000 2.235 280 R HA -0.089 4.250 4.340 -0.001 0.000 0.213 280 R C 0.683 176.896 176.300 -0.144 0.000 1.059 280 R CA 0.909 56.842 56.100 -0.277 0.000 0.997 280 R CB -0.098 30.069 30.300 -0.222 0.000 0.884 280 R HN 0.397 nan 8.270 nan 0.000 0.462 281 D N -0.347 120.001 120.400 -0.088 0.000 2.398 281 D HA 0.099 4.738 4.640 -0.001 0.000 0.210 281 D C 1.435 177.708 176.300 -0.044 0.000 1.094 281 D CA 0.190 54.157 54.000 -0.054 0.000 0.839 281 D CB 0.456 41.233 40.800 -0.038 0.000 0.963 281 D HN 0.207 nan 8.370 nan 0.000 0.506 282 I N 0.321 120.865 120.570 -0.043 0.000 2.339 282 I HA -0.078 4.091 4.170 -0.001 0.000 0.245 282 I C 0.737 176.685 176.117 -0.281 0.000 1.096 282 I CA 0.622 61.876 61.300 -0.077 0.000 1.408 282 I CB 0.327 38.317 38.000 -0.017 0.000 1.092 282 I HN -0.238 nan 8.210 nan 0.000 0.423 283 V N 3.572 123.282 119.914 -0.340 0.000 2.389 283 V HA 0.172 4.292 4.120 -0.001 0.000 0.264 283 V C -2.158 173.809 176.094 -0.211 0.000 1.049 283 V CA -1.360 60.572 62.300 -0.614 0.000 0.932 283 V CB 0.130 31.721 31.823 -0.387 0.000 1.011 283 V HN 0.060 nan 8.190 nan 0.000 0.475 284 P HA 0.184 nan 4.420 nan 0.000 0.268 284 P C 0.995 178.299 177.300 0.006 0.000 1.205 284 P CA -0.287 62.803 63.100 -0.016 0.000 0.771 284 P CB 0.630 32.355 31.700 0.041 0.000 0.858 285 I N 0.607 121.184 120.570 0.012 0.000 2.493 285 I HA -0.112 4.058 4.170 -0.001 0.000 0.254 285 I C 0.865 177.002 176.117 0.033 0.000 1.160 285 I CA 1.316 62.630 61.300 0.024 0.000 1.445 285 I CB -0.890 37.122 38.000 0.020 0.000 1.086 285 I HN 0.411 nan 8.210 nan 0.000 0.433 286 D N 1.540 121.959 120.400 0.032 0.000 2.348 286 D HA 0.087 4.727 4.640 -0.001 0.000 0.259 286 D C 1.527 177.854 176.300 0.045 0.000 1.296 286 D CA 0.215 54.236 54.000 0.036 0.000 0.931 286 D CB 0.995 41.814 40.800 0.032 0.000 1.067 286 D HN 0.212 nan 8.370 nan 0.000 0.503 287 G N 3.895 112.721 108.800 0.043 0.000 2.499 287 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.221 287 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.221 287 G C 1.294 176.213 174.900 0.032 0.000 1.109 287 G CA 0.486 45.610 45.100 0.040 0.000 0.749 287 G HN 0.503 nan 8.290 nan 0.000 0.568 288 K N -0.407 120.012 120.400 0.032 0.000 2.400 288 K HA 0.079 4.398 4.320 -0.001 0.000 0.194 288 K C 0.121 176.736 176.600 0.025 0.000 1.033 288 K CA 0.267 56.567 56.287 0.022 0.000 1.021 288 K CB 0.263 32.775 32.500 0.020 0.000 0.808 288 K HN 0.039 nan 8.250 nan 0.000 0.505 289 K N 1.092 121.519 120.400 0.044 0.000 2.183 289 K HA 0.278 4.598 4.320 -0.001 0.000 0.274 289 K C 0.329 176.988 176.600 0.097 0.000 1.009 289 K CA -0.411 55.910 56.287 0.057 0.000 0.888 289 K CB 1.549 34.086 32.500 0.061 0.000 1.078 289 K HN 0.062 nan 8.250 nan 0.000 0.459 290 G N 1.164 110.004 108.800 0.068 0.000 2.568 290 G HA2 0.651 4.611 3.960 -0.001 0.000 0.293 290 G HA3 0.651 4.611 3.960 -0.001 0.000 0.293 290 G C -0.996 174.007 174.900 0.172 0.000 1.347 290 G CA -0.380 44.743 45.100 0.040 0.000 1.039 290 G HN 0.598 nan 8.290 nan 0.000 0.523 291 Y N -3.241 117.040 120.300 -0.030 0.000 2.779 291 Y HA 0.538 5.088 4.550 -0.001 0.000 0.340 291 Y C -1.629 174.251 175.900 -0.033 0.000 1.252 291 Y CA -1.475 56.613 58.100 -0.021 0.000 1.072 291 Y CB 1.217 39.672 38.460 -0.009 0.000 1.343 291 Y HN 0.426 nan 8.280 nan 0.000 0.450 292 D N 1.237 121.688 120.400 0.085 0.000 2.359 292 D HA 0.138 4.777 4.640 -0.001 0.000 0.230 292 D C 0.612 176.955 176.300 0.072 0.000 1.118 292 D CA 0.007 53.996 54.000 -0.018 0.000 0.844 292 D CB 2.158 42.975 40.800 0.028 0.000 1.059 292 D HN 0.647 nan 8.370 nan 0.000 0.493 293 V N 5.472 125.331 119.914 -0.092 0.000 2.828 293 V HA -0.197 3.922 4.120 -0.001 0.000 0.260 293 V C 2.067 178.148 176.094 -0.022 0.000 1.101 293 V CA 1.677 63.995 62.300 0.030 0.000 1.123 293 V CB -0.307 31.451 31.823 -0.109 0.000 0.704 293 V HN 0.487 nan 8.190 nan 0.000 0.493 294 R N -0.346 120.108 120.500 -0.077 0.000 2.237 294 R HA -0.086 4.253 4.340 -0.001 0.000 0.219 294 R C 1.784 178.062 176.300 -0.037 0.000 1.080 294 R CA 1.329 57.330 56.100 -0.166 0.000 0.995 294 R CB -0.230 29.978 30.300 -0.154 0.000 0.875 294 R HN 0.534 nan 8.270 nan 0.000 0.462 295 D N -0.144 120.291 120.400 0.057 0.000 2.183 295 D HA -0.088 4.551 4.640 -0.001 0.000 0.203 295 D C 1.800 178.152 176.300 0.087 0.000 0.969 295 D CA 0.872 54.929 54.000 0.094 0.000 0.842 295 D CB 0.132 41.001 40.800 0.115 0.000 0.957 295 D HN 0.010 nan 8.370 nan 0.000 0.484 296 V N 1.079 121.042 119.914 0.082 0.000 2.323 296 V HA -0.158 3.961 4.120 -0.001 0.000 0.244 296 V C 2.538 178.661 176.094 0.048 0.000 1.041 296 V CA 0.866 63.219 62.300 0.087 0.000 1.025 296 V CB -0.270 31.588 31.823 0.058 0.000 0.656 296 V HN 0.155 nan 8.190 nan 0.000 0.451 297 I N 0.829 121.382 120.570 -0.029 0.000 2.151 297 I HA -0.305 3.865 4.170 -0.001 0.000 0.243 297 I C 2.718 178.847 176.117 0.021 0.000 1.080 297 I CA 1.674 62.932 61.300 -0.071 0.000 1.339 297 I CB -0.657 37.169 38.000 -0.291 0.000 1.039 297 I HN 0.311 nan 8.210 nan 0.000 0.409 298 A N 0.553 123.413 122.820 0.067 0.000 1.948 298 A HA -0.216 4.104 4.320 -0.001 0.000 0.220 298 A C 2.198 179.859 177.584 0.128 0.000 1.177 298 A CA 1.646 53.790 52.037 0.178 0.000 0.636 298 A CB -0.322 18.801 19.000 0.205 0.000 0.815 298 A HN 0.255 nan 8.150 nan 0.000 0.449 299 K N -0.657 119.799 120.400 0.094 0.000 2.365 299 K HA 0.214 4.534 4.320 -0.001 0.000 0.197 299 K C 1.527 178.160 176.600 0.054 0.000 1.042 299 K CA 0.627 56.957 56.287 0.072 0.000 0.987 299 K CB -0.168 32.374 32.500 0.071 0.000 0.779 299 K HN 0.641 nan 8.250 nan 0.000 0.484 300 I N 0.933 121.540 120.570 0.062 0.000 2.731 300 I HA -0.065 4.105 4.170 -0.001 0.000 0.260 300 I C 0.941 177.074 176.117 0.027 0.000 1.138 300 I CA 0.046 61.374 61.300 0.048 0.000 1.461 300 I CB 0.263 38.302 38.000 0.064 0.000 1.128 300 I HN -0.204 nan 8.210 nan 0.000 0.438 301 V N -1.024 118.922 119.914 0.053 0.000 2.785 301 V HA 0.296 4.416 4.120 -0.001 0.000 0.300 301 V C -0.385 175.706 176.094 -0.004 0.000 1.062 301 V CA -1.008 61.326 62.300 0.057 0.000 1.029 301 V CB 0.726 32.636 31.823 0.145 0.000 1.024 301 V HN 0.017 nan 8.190 nan 0.000 0.477 302 D N 3.679 124.026 120.400 -0.088 0.000 2.586 302 D HA 0.022 4.662 4.640 -0.001 0.000 0.234 302 D C 0.404 176.598 176.300 -0.176 0.000 1.132 302 D CA 1.281 55.050 54.000 -0.385 0.000 0.860 302 D CB -0.364 40.193 40.800 -0.404 0.000 1.159 302 D HN 0.903 nan 8.370 nan 0.000 0.490 303 W N 1.234 122.577 121.300 0.071 0.000 3.572 303 W HA -0.266 4.394 4.660 -0.001 0.000 0.298 303 W C 1.556 178.124 176.519 0.083 0.000 1.113 303 W CA -0.001 57.383 57.345 0.065 0.000 0.657 303 W CB -2.063 27.428 29.460 0.051 0.000 2.150 303 W HN 0.773 nan 8.180 nan 0.000 1.471 304 G N 0.089 109.027 108.800 0.230 0.000 2.166 304 G HA2 -0.382 3.578 3.960 -0.001 0.000 0.260 304 G HA3 -0.382 3.578 3.960 -0.001 0.000 0.260 304 G C -0.092 174.982 174.900 0.289 0.000 0.986 304 G CA 0.297 45.540 45.100 0.239 0.000 0.683 304 G HN 0.535 nan 8.290 nan 0.000 0.527 305 D N 0.085 120.666 120.400 0.302 0.000 2.264 305 D HA 0.590 5.230 4.640 -0.001 0.000 0.250 305 D C 0.157 176.669 176.300 0.353 0.000 1.113 305 D CA -0.310 53.844 54.000 0.257 0.000 0.871 305 D CB 0.191 41.165 40.800 0.290 0.000 1.167 305 D HN 0.601 nan 8.370 nan 0.000 0.447 306 Y N 1.654 122.081 120.300 0.213 0.000 2.581 306 Y HA 0.512 5.062 4.550 -0.001 0.000 0.337 306 Y C -2.115 173.882 175.900 0.161 0.000 1.108 306 Y CA -1.589 56.618 58.100 0.177 0.000 1.033 306 Y CB 0.753 39.268 38.460 0.092 0.000 1.318 306 Y HN 0.248 nan 8.280 nan 0.000 0.459 307 L N 2.999 124.362 121.223 0.234 0.000 2.295 307 L HA 0.496 4.835 4.340 -0.001 0.000 0.281 307 L C -0.387 176.632 176.870 0.248 0.000 1.018 307 L CA -0.447 54.519 54.840 0.211 0.000 0.841 307 L CB 1.201 43.399 42.059 0.231 0.000 1.218 307 L HN 0.856 nan 8.230 nan 0.000 0.424 308 E N 3.354 123.719 120.200 0.274 0.000 2.316 308 E HA 0.366 4.715 4.350 -0.001 0.000 0.275 308 E C -1.136 175.455 176.600 -0.015 0.000 1.029 308 E CA -0.451 56.025 56.400 0.126 0.000 0.871 308 E CB 1.045 30.840 29.700 0.160 0.000 1.022 308 E HN 0.544 nan 8.360 nan 0.000 0.418 309 V N 5.507 125.268 119.914 -0.256 0.000 2.472 309 V HA 0.151 4.270 4.120 -0.001 0.000 0.290 309 V C 0.271 176.135 176.094 -0.383 0.000 1.037 309 V CA -0.602 61.418 62.300 -0.468 0.000 0.908 309 V CB 1.422 33.070 31.823 -0.292 0.000 0.985 309 V HN 0.891 nan 8.190 nan 0.000 0.454 310 K N 2.008 122.152 120.400 -0.426 0.000 3.077 310 K HA -0.271 4.048 4.320 -0.001 0.000 0.264 310 K C 1.384 177.904 176.600 -0.134 0.000 1.008 310 K CA 0.527 56.673 56.287 -0.235 0.000 0.740 310 K CB -1.226 31.190 32.500 -0.140 0.000 1.273 310 K HN 0.956 nan 8.250 nan 0.000 0.477 311 A N -0.096 122.639 122.820 -0.142 0.000 2.024 311 A HA -0.091 4.228 4.320 -0.001 0.000 0.220 311 A C 2.007 179.569 177.584 -0.037 0.000 1.164 311 A CA 1.929 53.925 52.037 -0.070 0.000 0.643 311 A CB -0.082 18.907 19.000 -0.018 0.000 0.806 311 A HN 0.593 nan 8.150 nan 0.000 0.451 312 G N -3.189 105.601 108.800 -0.017 0.000 3.233 312 G HA2 0.356 4.316 3.960 -0.001 0.000 0.234 312 G HA3 0.356 4.316 3.960 -0.001 0.000 0.234 312 G C -0.117 174.816 174.900 0.055 0.000 1.137 312 G CA -0.034 45.070 45.100 0.007 0.000 0.763 312 G HN 0.366 nan 8.290 nan 0.000 0.549 313 Y N 0.772 121.008 120.300 -0.107 0.000 2.393 313 Y HA 0.485 5.034 4.550 -0.001 0.000 0.341 313 Y C 0.371 176.210 175.900 -0.102 0.000 0.988 313 Y CA -1.188 56.850 58.100 -0.103 0.000 1.078 313 Y CB 1.922 40.307 38.460 -0.125 0.000 1.203 313 Y HN 0.372 nan 8.280 nan 0.000 0.453 314 A N 3.352 125.737 122.820 -0.725 0.000 2.312 314 A HA -0.261 4.059 4.320 -0.001 0.000 0.286 314 A C 1.153 178.568 177.584 -0.280 0.000 1.425 314 A CA 1.330 53.030 52.037 -0.562 0.000 0.748 314 A CB -2.319 16.288 19.000 -0.655 0.000 1.126 314 A HN 1.285 nan 8.150 nan 0.000 0.368 315 T N -1.000 113.428 114.554 -0.209 0.000 3.155 315 T HA -0.109 4.241 4.350 -0.001 0.000 0.264 315 T C 1.293 175.899 174.700 -0.157 0.000 1.160 315 T CA 1.001 63.010 62.100 -0.152 0.000 1.075 315 T CB -0.556 68.243 68.868 -0.115 0.000 0.921 315 T HN 0.918 nan 8.240 nan 0.000 0.533 316 N N 0.972 119.570 118.700 -0.170 0.000 2.550 316 N HA 0.074 4.814 4.740 -0.001 0.000 0.186 316 N C 0.257 175.668 175.510 -0.165 0.000 1.110 316 N CA 0.078 53.030 53.050 -0.164 0.000 0.912 316 N CB -0.067 38.327 38.487 -0.155 0.000 0.968 316 N HN 0.496 nan 8.380 nan 0.000 0.448 317 L N 0.183 121.310 121.223 -0.161 0.000 2.436 317 L HA 0.491 4.830 4.340 -0.001 0.000 0.268 317 L C -1.423 175.349 176.870 -0.162 0.000 0.974 317 L CA -0.771 53.980 54.840 -0.147 0.000 0.826 317 L CB 2.505 44.495 42.059 -0.114 0.000 1.291 317 L HN -0.273 nan 8.230 nan 0.000 0.406 318 V N 2.855 122.662 119.914 -0.177 0.000 2.435 318 V HA 0.671 4.790 4.120 -0.001 0.000 0.290 318 V C -0.141 175.778 176.094 -0.291 0.000 1.030 318 V CA -0.216 61.954 62.300 -0.217 0.000 0.881 318 V CB 1.914 33.609 31.823 -0.215 0.000 0.983 318 V HN 0.863 nan 8.190 nan 0.000 0.445 319 T N 1.811 116.106 114.554 -0.432 0.000 2.841 319 T HA 0.896 5.245 4.350 -0.001 0.000 0.285 319 T C -0.572 173.617 174.700 -0.851 0.000 0.991 319 T CA -0.538 61.050 62.100 -0.854 0.000 0.966 319 T CB 1.816 69.968 68.868 -1.194 0.000 0.962 319 T HN 1.137 nan 8.240 nan 0.000 0.438 320 A N 2.724 125.076 122.820 -0.780 0.000 2.574 320 A HA 0.758 5.078 4.320 -0.001 0.000 0.297 320 A C -1.287 176.156 177.584 -0.235 0.000 1.062 320 A CA -1.035 50.758 52.037 -0.405 0.000 0.686 320 A CB 1.165 20.078 19.000 -0.144 0.000 1.285 320 A HN 0.776 nan 8.150 nan 0.000 0.403 321 F N 0.887 120.785 119.950 -0.086 0.000 2.379 321 F HA 0.681 5.208 4.527 -0.001 0.000 0.332 321 F C 0.892 176.484 175.800 -0.347 0.000 1.096 321 F CA 0.864 58.661 58.000 -0.338 0.000 1.105 321 F CB 1.941 40.276 39.000 -1.109 0.000 1.189 321 F HN 0.955 nan 8.300 nan 0.000 0.515 322 A N 3.192 126.100 122.820 0.146 0.000 2.493 322 A HA 0.878 5.197 4.320 -0.001 0.000 0.300 322 A C -1.254 176.595 177.584 0.442 0.000 1.152 322 A CA -1.024 51.232 52.037 0.366 0.000 0.643 322 A CB 1.731 20.893 19.000 0.270 0.000 1.316 322 A HN 0.723 nan 8.150 nan 0.000 0.469 323 R N -1.023 119.677 120.500 0.334 0.000 2.771 323 R HA 0.687 5.026 4.340 -0.001 0.000 0.274 323 R C -1.911 174.430 176.300 0.069 0.000 0.987 323 R CA -0.765 55.451 56.100 0.193 0.000 0.908 323 R CB 2.503 32.902 30.300 0.164 0.000 1.213 323 R HN 0.440 nan 8.270 nan 0.000 0.468 324 V N 2.124 122.028 119.914 -0.018 0.000 2.482 324 V HA 0.219 4.339 4.120 -0.001 0.000 0.295 324 V C -0.128 175.885 176.094 -0.134 0.000 1.026 324 V CA -0.847 61.420 62.300 -0.055 0.000 0.856 324 V CB 1.279 33.095 31.823 -0.011 0.000 1.001 324 V HN 0.957 nan 8.190 nan 0.000 0.424 325 N N 3.804 122.423 118.700 -0.135 0.000 2.735 325 N HA -0.236 4.504 4.740 -0.001 0.000 0.248 325 N C 1.137 176.520 175.510 -0.212 0.000 1.083 325 N CA 0.644 53.622 53.050 -0.121 0.000 0.703 325 N CB -0.777 37.673 38.487 -0.063 0.000 1.005 325 N HN 1.420 nan 8.380 nan 0.000 0.550 326 G N -0.154 108.529 108.800 -0.194 0.000 2.205 326 G HA2 -0.401 3.559 3.960 -0.001 0.000 0.261 326 G HA3 -0.401 3.559 3.960 -0.001 0.000 0.261 326 G C 0.112 174.656 174.900 -0.593 0.000 0.980 326 G CA 0.571 45.535 45.100 -0.227 0.000 0.632 326 G HN 0.579 nan 8.290 nan 0.000 0.533 327 R N 1.110 121.124 120.500 -0.809 0.000 2.308 327 R HA 0.538 4.878 4.340 -0.001 0.000 0.305 327 R C 0.087 176.314 176.300 -0.123 0.000 1.053 327 R CA -0.085 55.583 56.100 -0.720 0.000 0.957 327 R CB 0.450 30.374 30.300 -0.627 0.000 1.022 327 R HN 0.148 nan 8.270 nan 0.000 0.461 328 S N 2.660 118.397 115.700 0.061 0.000 2.549 328 S HA 0.225 4.694 4.470 -0.001 0.000 0.283 328 S C -0.329 174.417 174.600 0.242 0.000 1.320 328 S CA -0.508 57.849 58.200 0.262 0.000 1.058 328 S CB 0.915 64.301 63.200 0.309 0.000 0.882 328 S HN 0.469 nan 8.310 nan 0.000 0.498 329 V N 0.482 120.578 119.914 0.303 0.000 3.114 329 V HA 1.000 5.119 4.120 -0.001 0.000 0.308 329 V C -0.024 176.281 176.094 0.351 0.000 1.168 329 V CA -1.031 61.428 62.300 0.265 0.000 1.015 329 V CB 1.722 33.657 31.823 0.188 0.000 1.050 329 V HN 0.824 nan 8.190 nan 0.000 0.433 330 G N 2.126 111.106 108.800 0.300 0.000 2.372 330 G HA2 0.727 4.686 3.960 -0.001 0.000 0.323 330 G HA3 0.727 4.686 3.960 -0.001 0.000 0.323 330 G C -1.002 174.120 174.900 0.371 0.000 1.152 330 G CA -0.731 44.585 45.100 0.360 0.000 0.906 330 G HN 0.810 nan 8.290 nan 0.000 0.460 331 I N 1.971 122.731 120.570 0.317 0.000 2.378 331 I HA 0.304 4.473 4.170 -0.001 0.000 0.291 331 I C -0.464 175.700 176.117 0.078 0.000 0.992 331 I CA -0.903 60.486 61.300 0.148 0.000 1.154 331 I CB 2.259 40.270 38.000 0.017 0.000 1.315 331 I HN 0.049 nan 8.210 nan 0.000 0.448 332 V N 5.851 125.837 119.914 0.119 0.000 2.378 332 V HA 0.783 4.903 4.120 -0.001 0.000 0.288 332 V C -0.029 176.062 176.094 -0.005 0.000 1.016 332 V CA -0.417 61.924 62.300 0.068 0.000 0.840 332 V CB 1.313 33.286 31.823 0.250 0.000 0.994 332 V HN 0.824 nan 8.190 nan 0.000 0.431 333 A N 4.079 126.851 122.820 -0.081 0.000 2.455 333 A HA 0.697 5.017 4.320 -0.001 0.000 0.300 333 A C -0.487 177.018 177.584 -0.131 0.000 1.040 333 A CA -0.844 51.130 52.037 -0.105 0.000 0.697 333 A CB 1.007 19.930 19.000 -0.129 0.000 1.265 333 A HN 0.830 nan 8.150 nan 0.000 0.407 334 N N 1.083 119.702 118.700 -0.136 0.000 2.492 334 N HA 0.350 5.089 4.740 -0.001 0.000 0.260 334 N C -0.223 175.159 175.510 -0.213 0.000 1.215 334 N CA 0.092 53.042 53.050 -0.166 0.000 0.923 334 N CB 0.541 38.927 38.487 -0.169 0.000 1.092 334 N HN 0.610 nan 8.380 nan 0.000 0.448 335 Q N 2.822 122.485 119.800 -0.228 0.000 2.506 335 Q HA 0.329 4.669 4.340 -0.001 0.000 0.242 335 Q C -2.285 173.530 176.000 -0.310 0.000 1.060 335 Q CA -2.229 53.409 55.803 -0.275 0.000 0.826 335 Q CB 1.291 29.902 28.738 -0.212 0.000 1.169 335 Q HN 0.358 nan 8.270 nan 0.000 0.521 336 P HA -0.155 nan 4.420 nan 0.000 0.221 336 P C 0.535 177.660 177.300 -0.291 0.000 1.145 336 P CA 1.306 64.178 63.100 -0.380 0.000 0.795 336 P CB 0.284 31.666 31.700 -0.530 0.000 0.775 337 S N -2.399 113.117 115.700 -0.307 0.000 2.607 337 S HA 0.068 4.537 4.470 -0.001 0.000 0.224 337 S C 0.643 175.158 174.600 -0.141 0.000 0.969 337 S CA 0.032 58.119 58.200 -0.188 0.000 0.927 337 S CB -0.619 62.483 63.200 -0.163 0.000 0.772 337 S HN -0.111 nan 8.310 nan 0.000 0.533 338 V N 2.211 122.032 119.914 -0.156 0.000 2.443 338 V HA 0.412 4.532 4.120 -0.001 0.000 0.293 338 V C -0.082 175.936 176.094 -0.126 0.000 1.021 338 V CA -0.788 61.435 62.300 -0.127 0.000 0.848 338 V CB 0.817 32.562 31.823 -0.130 0.000 0.998 338 V HN 0.531 nan 8.190 nan 0.000 0.424 339 M N 3.233 122.771 119.600 -0.102 0.000 2.393 339 M HA -0.255 4.225 4.480 -0.001 0.000 0.201 339 M C 0.943 177.182 176.300 -0.101 0.000 0.403 339 M CA 0.908 56.152 55.300 -0.093 0.000 0.471 339 M CB -1.715 30.826 32.600 -0.097 0.000 1.669 339 M HN 0.831 nan 8.290 nan 0.000 0.864 340 S N -2.140 113.497 115.700 -0.105 0.000 3.358 340 S HA -0.198 4.272 4.470 -0.001 0.000 0.309 340 S C 1.269 175.781 174.600 -0.147 0.000 1.247 340 S CA 1.585 59.718 58.200 -0.112 0.000 0.961 340 S CB -1.716 61.435 63.200 -0.082 0.000 1.074 340 S HN 1.803 nan 8.310 nan 0.000 0.625 341 G N -0.957 107.744 108.800 -0.164 0.000 2.143 341 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.248 341 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.248 341 G C 0.334 175.127 174.900 -0.179 0.000 0.991 341 G CA 0.058 45.046 45.100 -0.187 0.000 0.689 341 G HN 0.950 nan 8.290 nan 0.000 0.522 342 C N 0.320 119.528 119.300 -0.153 0.000 2.679 342 C HA 0.501 4.961 4.460 -0.001 0.000 0.417 342 C C 1.409 176.298 174.990 -0.169 0.000 1.302 342 C CA -0.338 58.586 59.018 -0.157 0.000 1.973 342 C CB -0.054 27.628 27.740 -0.096 0.000 2.715 342 C HN 0.492 nan 8.230 nan 0.000 0.628 343 L N 3.849 124.926 121.223 -0.242 0.000 2.357 343 L HA 0.478 4.817 4.340 -0.001 0.000 0.273 343 L C 0.059 176.936 176.870 0.013 0.000 1.080 343 L CA 0.144 54.876 54.840 -0.180 0.000 0.803 343 L CB 1.003 42.833 42.059 -0.382 0.000 1.174 343 L HN 0.790 nan 8.230 nan 0.000 0.443 344 D N 1.114 121.553 120.400 0.065 0.000 2.744 344 D HA 0.256 4.896 4.640 -0.001 0.000 0.304 344 D C 0.856 177.197 176.300 0.070 0.000 1.179 344 D CA -0.704 53.350 54.000 0.089 0.000 1.024 344 D CB 0.800 41.591 40.800 -0.015 0.000 1.453 344 D HN 0.299 nan 8.370 nan 0.000 0.529 345 I N -0.009 120.555 120.570 -0.009 0.000 2.113 345 I HA -0.334 3.835 4.170 -0.001 0.000 0.242 345 I C 1.729 177.813 176.117 -0.055 0.000 1.064 345 I CA 1.562 62.802 61.300 -0.099 0.000 1.320 345 I CB -0.469 37.349 38.000 -0.305 0.000 1.028 345 I HN 0.317 nan 8.210 nan 0.000 0.406 346 N N 0.993 119.643 118.700 -0.084 0.000 2.120 346 N HA -0.130 4.609 4.740 -0.001 0.000 0.188 346 N C 1.835 177.312 175.510 -0.055 0.000 1.024 346 N CA 1.676 54.683 53.050 -0.072 0.000 0.852 346 N CB -0.534 37.757 38.487 -0.327 0.000 1.003 346 N HN 0.387 nan 8.380 nan 0.000 0.424 347 A N 0.261 123.023 122.820 -0.097 0.000 1.969 347 A HA -0.049 4.270 4.320 -0.001 0.000 0.218 347 A C 2.413 180.029 177.584 0.053 0.000 1.169 347 A CA 1.502 53.505 52.037 -0.056 0.000 0.635 347 A CB -0.590 18.361 19.000 -0.082 0.000 0.810 347 A HN 0.247 nan 8.150 nan 0.000 0.445 348 S N 0.225 115.989 115.700 0.106 0.000 2.356 348 S HA -0.149 4.321 4.470 -0.001 0.000 0.223 348 S C 1.631 176.338 174.600 0.179 0.000 1.032 348 S CA 1.398 59.700 58.200 0.170 0.000 1.005 348 S CB -0.385 62.943 63.200 0.214 0.000 0.867 348 S HN 0.607 nan 8.310 nan 0.000 0.449 349 D N 1.084 121.601 120.400 0.195 0.000 2.097 349 D HA -0.096 4.543 4.640 -0.001 0.000 0.195 349 D C 1.930 178.348 176.300 0.197 0.000 0.989 349 D CA 1.017 55.150 54.000 0.220 0.000 0.827 349 D CB -0.289 40.657 40.800 0.244 0.000 0.966 349 D HN 0.360 nan 8.370 nan 0.000 0.456 350 K N 0.691 121.205 120.400 0.191 0.000 2.032 350 K HA -0.161 4.159 4.320 -0.001 0.000 0.209 350 K C 2.005 178.686 176.600 0.135 0.000 1.048 350 K CA 1.544 57.924 56.287 0.156 0.000 0.927 350 K CB -0.067 32.508 32.500 0.124 0.000 0.712 350 K HN 0.033 nan 8.250 nan 0.000 0.441 351 A N 0.954 123.849 122.820 0.125 0.000 1.855 351 A HA -0.063 4.257 4.320 -0.001 0.000 0.215 351 A C 2.370 180.047 177.584 0.155 0.000 1.191 351 A CA 1.839 53.963 52.037 0.145 0.000 0.613 351 A CB -0.969 18.118 19.000 0.146 0.000 0.829 351 A HN 0.501 nan 8.150 nan 0.000 0.442 352 A N -0.322 122.595 122.820 0.162 0.000 1.908 352 A HA -0.233 4.086 4.320 -0.001 0.000 0.218 352 A C 2.067 179.744 177.584 0.155 0.000 1.181 352 A CA 1.964 54.107 52.037 0.177 0.000 0.627 352 A CB -0.605 18.584 19.000 0.314 0.000 0.818 352 A HN 0.698 nan 8.150 nan 0.000 0.445 353 E N -1.516 118.789 120.200 0.176 0.000 2.077 353 E HA -0.204 4.146 4.350 -0.001 0.000 0.193 353 E C 1.802 178.511 176.600 0.181 0.000 0.989 353 E CA 1.339 57.820 56.400 0.135 0.000 0.800 353 E CB -0.261 29.526 29.700 0.145 0.000 0.746 353 E HN 0.580 nan 8.360 nan 0.000 0.452 354 F N 0.840 120.827 119.950 0.062 0.000 2.146 354 F HA -0.163 4.364 4.527 -0.001 0.000 0.298 354 F C 2.064 177.926 175.800 0.103 0.000 1.096 354 F CA 1.120 59.172 58.000 0.087 0.000 1.275 354 F CB -0.371 38.633 39.000 0.007 0.000 1.008 354 F HN -0.121 nan 8.300 nan 0.000 0.480 355 V N 0.903 120.823 119.914 0.010 0.000 2.295 355 V HA -0.335 3.785 4.120 -0.001 0.000 0.246 355 V C 2.261 178.265 176.094 -0.150 0.000 1.049 355 V CA 2.187 64.367 62.300 -0.200 0.000 1.024 355 V CB -0.832 30.700 31.823 -0.485 0.000 0.648 355 V HN 0.352 nan 8.190 nan 0.000 0.447 356 N N -0.318 118.333 118.700 -0.082 0.000 2.104 356 N HA -0.183 4.556 4.740 -0.001 0.000 0.190 356 N C 1.685 177.150 175.510 -0.074 0.000 1.024 356 N CA 1.693 54.686 53.050 -0.096 0.000 0.853 356 N CB -0.508 37.885 38.487 -0.157 0.000 1.008 356 N HN 0.548 nan 8.380 nan 0.000 0.424 357 F N 1.583 121.473 119.950 -0.100 0.000 2.075 357 F HA -0.190 4.337 4.527 -0.001 0.000 0.297 357 F C 2.392 178.234 175.800 0.071 0.000 1.113 357 F CA 1.191 59.196 58.000 0.007 0.000 1.218 357 F CB -0.614 38.403 39.000 0.028 0.000 0.984 357 F HN 0.001 nan 8.300 nan 0.000 0.472 358 C N 0.527 119.818 119.300 -0.016 0.000 2.413 358 C HA -0.224 4.235 4.460 -0.001 0.000 0.276 358 C C 2.564 177.480 174.990 -0.123 0.000 1.248 358 C CA 1.664 60.650 59.018 -0.053 0.000 1.742 358 C CB -1.346 26.308 27.740 -0.143 0.000 2.017 358 C HN 0.662 nan 8.230 nan 0.000 0.481 359 D N 0.612 120.925 120.400 -0.144 0.000 2.104 359 D HA -0.119 4.521 4.640 -0.001 0.000 0.194 359 D C 2.176 178.340 176.300 -0.226 0.000 0.994 359 D CA 1.762 55.681 54.000 -0.136 0.000 0.830 359 D CB -0.090 40.640 40.800 -0.116 0.000 0.959 359 D HN 0.358 nan 8.370 nan 0.000 0.452 360 S N -1.126 114.358 115.700 -0.359 0.000 2.400 360 S HA -0.110 4.360 4.470 -0.001 0.000 0.232 360 S C 1.058 175.139 174.600 -0.865 0.000 1.025 360 S CA 0.711 58.548 58.200 -0.605 0.000 0.993 360 S CB -0.288 62.462 63.200 -0.751 0.000 0.808 360 S HN 0.336 nan 8.310 nan 0.000 0.478 361 F N 1.578 121.313 119.950 -0.359 0.000 2.750 361 F HA 0.346 4.873 4.527 -0.001 0.000 0.297 361 F C 0.412 176.144 175.800 -0.114 0.000 1.138 361 F CA -0.578 57.266 58.000 -0.261 0.000 1.346 361 F CB -0.175 38.583 39.000 -0.403 0.000 0.965 361 F HN -0.002 nan 8.300 nan 0.000 0.514 362 N N 1.189 119.879 118.700 -0.016 0.000 2.735 362 N HA -0.223 4.516 4.740 -0.001 0.000 0.248 362 N C -0.484 175.085 175.510 0.098 0.000 1.083 362 N CA 0.681 53.755 53.050 0.040 0.000 0.703 362 N CB -1.678 36.845 38.487 0.061 0.000 1.005 362 N HN 0.377 nan 8.380 nan 0.000 0.550 363 I N 0.854 121.485 120.570 0.101 0.000 2.312 363 I HA 0.259 4.429 4.170 -0.001 0.000 0.290 363 I C -2.036 174.155 176.117 0.123 0.000 1.008 363 I CA -1.900 59.493 61.300 0.156 0.000 1.226 363 I CB 1.414 39.558 38.000 0.239 0.000 1.371 363 I HN -0.297 nan 8.210 nan 0.000 0.468 364 P HA 0.120 nan 4.420 nan 0.000 0.267 364 P C -0.909 176.470 177.300 0.131 0.000 1.200 364 P CA 0.008 63.182 63.100 0.123 0.000 0.772 364 P CB 0.547 32.328 31.700 0.134 0.000 0.855 365 L N 2.596 123.895 121.223 0.127 0.000 2.305 365 L HA 0.414 4.754 4.340 -0.001 0.000 0.284 365 L C -0.515 176.449 176.870 0.157 0.000 1.013 365 L CA -0.783 54.157 54.840 0.167 0.000 0.819 365 L CB 1.615 43.809 42.059 0.225 0.000 1.227 365 L HN 0.054 nan 8.230 nan 0.000 0.417 366 V N 3.116 123.126 119.914 0.160 0.000 2.384 366 V HA 0.380 4.499 4.120 -0.001 0.000 0.287 366 V C -0.348 175.805 176.094 0.098 0.000 1.020 366 V CA -0.707 61.661 62.300 0.114 0.000 0.850 366 V CB 1.633 33.520 31.823 0.107 0.000 0.987 366 V HN 0.649 nan 8.190 nan 0.000 0.436 367 Q N 4.175 124.003 119.800 0.046 0.000 2.245 367 Q HA 0.686 5.025 4.340 -0.001 0.000 0.256 367 Q C -0.949 175.029 176.000 -0.036 0.000 0.942 367 Q CA -0.186 55.622 55.803 0.008 0.000 0.896 367 Q CB 2.127 30.826 28.738 -0.065 0.000 1.272 367 Q HN 0.656 nan 8.270 nan 0.000 0.442 368 L N 2.285 123.469 121.223 -0.065 0.000 2.345 368 L HA 0.535 4.874 4.340 -0.001 0.000 0.274 368 L C -0.989 175.802 176.870 -0.132 0.000 0.999 368 L CA -0.994 53.768 54.840 -0.130 0.000 0.849 368 L CB 1.336 43.311 42.059 -0.140 0.000 1.220 368 L HN 0.299 nan 8.230 nan 0.000 0.422 369 V N 1.956 121.784 119.914 -0.143 0.000 2.407 369 V HA 0.416 4.536 4.120 -0.001 0.000 0.278 369 V C -0.357 175.650 176.094 -0.144 0.000 1.037 369 V CA -0.218 62.015 62.300 -0.112 0.000 0.900 369 V CB 1.630 33.433 31.823 -0.033 0.000 0.983 369 V HN 0.661 nan 8.190 nan 0.000 0.459 370 D N 3.627 123.942 120.400 -0.142 0.000 2.881 370 D HA 0.163 4.803 4.640 -0.001 0.000 0.238 370 D C -1.537 174.645 176.300 -0.197 0.000 1.368 370 D CA -0.014 53.891 54.000 -0.157 0.000 0.871 370 D CB 1.489 42.242 40.800 -0.078 0.000 1.516 370 D HN 0.368 nan 8.370 nan 0.000 0.544 371 V N 3.926 123.703 119.914 -0.229 0.000 2.531 371 V HA 0.616 4.735 4.120 -0.001 0.000 0.301 371 V C -2.048 173.849 176.094 -0.328 0.000 1.034 371 V CA -2.026 60.127 62.300 -0.246 0.000 0.865 371 V CB 2.601 34.300 31.823 -0.208 0.000 0.995 371 V HN 0.148 nan 8.190 nan 0.000 0.424 372 P HA 0.348 nan 4.420 nan 0.000 0.255 372 P C 0.508 177.804 177.300 -0.006 0.000 1.248 372 P CA 1.072 64.011 63.100 -0.269 0.000 0.807 372 P CB 0.477 32.077 31.700 -0.168 0.000 1.150 373 G N -0.365 108.367 108.800 -0.113 0.000 2.315 373 G HA2 0.063 4.023 3.960 -0.001 0.000 0.296 373 G HA3 0.063 4.023 3.960 -0.001 0.000 0.296 373 G C -1.565 173.175 174.900 -0.266 0.000 1.289 373 G CA -1.010 44.033 45.100 -0.095 0.000 0.996 373 G HN -0.048 nan 8.290 nan 0.000 0.487 374 F N -0.189 119.775 119.950 0.024 0.000 2.371 374 F HA 0.616 5.143 4.527 -0.001 0.000 0.329 374 F C 0.934 176.727 175.800 -0.013 0.000 1.107 374 F CA -0.549 57.452 58.000 0.001 0.000 1.137 374 F CB 1.421 40.425 39.000 0.006 0.000 1.214 374 F HN 0.427 nan 8.300 nan 0.000 0.536 375 L N 5.211 126.516 121.223 0.137 0.000 2.534 375 L HA 0.233 4.572 4.340 -0.001 0.000 0.271 375 L C -2.385 174.516 176.870 0.052 0.000 1.178 375 L CA -1.321 53.550 54.840 0.053 0.000 0.907 375 L CB -0.369 41.699 42.059 0.014 0.000 1.164 375 L HN 0.286 nan 8.230 nan 0.000 0.482 376 P HA 0.525 nan 4.420 nan 0.000 0.275 376 P C -0.703 176.583 177.300 -0.023 0.000 1.227 376 P CA -0.268 62.835 63.100 0.006 0.000 0.781 376 P CB 1.142 32.843 31.700 0.001 0.000 0.906 377 G N 0.593 109.364 108.800 -0.048 0.000 2.380 377 G HA2 0.144 4.104 3.960 -0.001 0.000 0.305 377 G HA3 0.144 4.104 3.960 -0.001 0.000 0.305 377 G C 0.283 175.104 174.900 -0.132 0.000 1.672 377 G CA -0.652 44.403 45.100 -0.076 0.000 0.904 377 G HN 0.242 nan 8.290 nan 0.000 0.686 378 V N 1.624 121.422 119.914 -0.192 0.000 2.332 378 V HA -0.178 3.942 4.120 -0.001 0.000 0.248 378 V C 2.736 178.599 176.094 -0.385 0.000 1.055 378 V CA 2.212 64.283 62.300 -0.381 0.000 1.038 378 V CB -0.187 31.373 31.823 -0.439 0.000 0.651 378 V HN 0.700 nan 8.190 nan 0.000 0.450 379 Q N -0.740 118.953 119.800 -0.178 0.000 2.364 379 Q HA -0.131 4.209 4.340 -0.001 0.000 0.207 379 Q C 2.234 178.221 176.000 -0.022 0.000 0.970 379 Q CA 0.938 56.714 55.803 -0.044 0.000 0.888 379 Q CB -0.270 28.462 28.738 -0.009 0.000 0.951 379 Q HN 0.621 nan 8.270 nan 0.000 0.469 380 Q N 0.302 120.069 119.800 -0.056 0.000 2.083 380 Q HA -0.095 4.245 4.340 -0.001 0.000 0.198 380 Q C 1.776 177.764 176.000 -0.019 0.000 0.969 380 Q CA 0.848 56.628 55.803 -0.038 0.000 0.838 380 Q CB 0.231 28.951 28.738 -0.030 0.000 0.900 380 Q HN 0.407 nan 8.270 nan 0.000 0.436 381 E N -0.069 120.107 120.200 -0.041 0.000 2.046 381 E HA -0.124 4.225 4.350 -0.001 0.000 0.190 381 E C 1.965 178.662 176.600 0.161 0.000 0.982 381 E CA 0.813 57.219 56.400 0.009 0.000 0.800 381 E CB -0.317 29.351 29.700 -0.053 0.000 0.756 381 E HN 0.369 nan 8.360 nan 0.000 0.449 382 Y N 0.792 121.082 120.300 -0.016 0.000 2.333 382 Y HA -0.013 4.536 4.550 -0.001 0.000 0.290 382 Y C 2.389 178.285 175.900 -0.006 0.000 1.144 382 Y CA 0.946 59.040 58.100 -0.011 0.000 1.228 382 Y CB -0.970 37.483 38.460 -0.012 0.000 0.985 382 Y HN 0.059 nan 8.280 nan 0.000 0.542 383 G N -1.189 107.699 108.800 0.145 0.000 2.920 383 G HA2 0.265 4.225 3.960 -0.001 0.000 0.208 383 G HA3 0.265 4.225 3.960 -0.001 0.000 0.208 383 G C 1.182 176.129 174.900 0.079 0.000 1.159 383 G CA 0.327 45.462 45.100 0.059 0.000 0.784 383 G HN 0.535 nan 8.290 nan 0.000 0.535 384 G N 0.209 109.078 108.800 0.116 0.000 2.291 384 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.271 384 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.271 384 G C 0.906 175.934 174.900 0.214 0.000 1.099 384 G CA 0.268 45.466 45.100 0.164 0.000 0.919 384 G HN 0.543 nan 8.290 nan 0.000 0.496 385 I N -0.071 120.536 120.570 0.062 0.000 2.423 385 I HA -0.087 4.082 4.170 -0.001 0.000 0.254 385 I C 2.436 178.518 176.117 -0.059 0.000 1.151 385 I CA 1.553 62.853 61.300 -0.001 0.000 1.421 385 I CB -0.189 37.765 38.000 -0.076 0.000 1.079 385 I HN 0.543 nan 8.210 nan 0.000 0.431 386 I N 1.090 121.624 120.570 -0.060 0.000 2.127 386 I HA -0.333 3.837 4.170 -0.001 0.000 0.241 386 I C 2.665 178.728 176.117 -0.091 0.000 1.075 386 I CA 1.978 63.216 61.300 -0.103 0.000 1.334 386 I CB -0.571 37.388 38.000 -0.070 0.000 1.040 386 I HN 0.310 nan 8.210 nan 0.000 0.405 387 R N 0.055 120.513 120.500 -0.069 0.000 2.148 387 R HA -0.111 4.228 4.340 -0.001 0.000 0.223 387 R C 1.936 178.106 176.300 -0.218 0.000 1.088 387 R CA 1.323 57.328 56.100 -0.159 0.000 0.985 387 R CB -0.713 29.465 30.300 -0.203 0.000 0.880 387 R HN 0.408 nan 8.270 nan 0.000 0.451 388 H N 0.773 119.782 119.070 -0.101 0.000 2.343 388 H HA 0.112 4.668 4.556 -0.001 0.000 0.303 388 H C 2.318 177.614 175.328 -0.052 0.000 1.068 388 H CA 1.770 57.775 56.048 -0.072 0.000 1.359 388 H CB -0.298 29.451 29.762 -0.022 0.000 1.402 388 H HN 0.427 nan 8.280 nan 0.000 0.515 389 G N 0.286 109.117 108.800 0.051 0.000 2.432 389 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.219 389 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.219 389 G C 1.861 176.779 174.900 0.030 0.000 1.135 389 G CA 0.770 45.892 45.100 0.038 0.000 0.767 389 G HN 0.511 nan 8.290 nan 0.000 0.550 390 A N 0.773 123.562 122.820 -0.052 0.000 2.070 390 A HA -0.012 4.308 4.320 -0.001 0.000 0.220 390 A C 2.261 179.817 177.584 -0.047 0.000 1.159 390 A CA 1.847 53.855 52.037 -0.047 0.000 0.656 390 A CB -0.305 18.636 19.000 -0.099 0.000 0.800 390 A HN 0.420 nan 8.150 nan 0.000 0.453 391 K N -0.914 119.407 120.400 -0.132 0.000 2.147 391 K HA -0.062 4.258 4.320 -0.001 0.000 0.205 391 K C 1.966 178.642 176.600 0.127 0.000 1.049 391 K CA 1.596 57.759 56.287 -0.208 0.000 0.936 391 K CB -0.256 32.116 32.500 -0.215 0.000 0.722 391 K HN 0.525 nan 8.250 nan 0.000 0.446 392 M N 0.511 120.210 119.600 0.165 0.000 2.156 392 M HA -0.121 4.358 4.480 -0.001 0.000 0.264 392 M C 2.061 178.533 176.300 0.286 0.000 1.067 392 M CA 1.461 56.903 55.300 0.237 0.000 1.131 392 M CB -0.214 32.555 32.600 0.281 0.000 1.368 392 M HN 0.098 nan 8.290 nan 0.000 0.416 393 L N -1.509 119.850 121.223 0.227 0.000 2.083 393 L HA -0.237 4.103 4.340 -0.001 0.000 0.209 393 L C 2.509 179.487 176.870 0.181 0.000 1.083 393 L CA 1.475 56.426 54.840 0.186 0.000 0.752 393 L CB -0.823 41.305 42.059 0.116 0.000 0.899 393 L HN 0.266 nan 8.230 nan 0.000 0.433 394 Y N 0.555 120.903 120.300 0.080 0.000 2.133 394 Y HA -0.249 4.300 4.550 -0.001 0.000 0.287 394 Y C 2.595 178.590 175.900 0.158 0.000 1.134 394 Y CA 1.469 59.628 58.100 0.099 0.000 1.133 394 Y CB -0.188 38.302 38.460 0.051 0.000 0.987 394 Y HN 0.088 nan 8.280 nan 0.000 0.502 395 A N -0.209 122.891 122.820 0.466 0.000 1.873 395 A HA -0.278 4.042 4.320 -0.001 0.000 0.218 395 A C 2.084 179.689 177.584 0.036 0.000 1.193 395 A CA 2.114 54.303 52.037 0.252 0.000 0.629 395 A CB -1.633 17.438 19.000 0.119 0.000 0.826 395 A HN 0.707 nan 8.150 nan 0.000 0.447 396 Y N 0.332 120.688 120.300 0.095 0.000 2.200 396 Y HA -0.169 4.381 4.550 -0.001 0.000 0.290 396 Y C 3.084 178.965 175.900 -0.032 0.000 1.137 396 Y CA 1.359 59.472 58.100 0.022 0.000 1.163 396 Y CB -0.087 38.380 38.460 0.010 0.000 0.988 396 Y HN 0.303 nan 8.280 nan 0.000 0.518 397 S N -0.382 115.378 115.700 0.099 0.000 2.402 397 S HA -0.218 4.252 4.470 -0.001 0.000 0.229 397 S C 1.812 176.361 174.600 -0.085 0.000 1.021 397 S CA 1.426 59.613 58.200 -0.022 0.000 0.974 397 S CB -0.210 62.939 63.200 -0.085 0.000 0.800 397 S HN 0.494 nan 8.310 nan 0.000 0.484 398 E N 1.122 121.242 120.200 -0.133 0.000 2.230 398 E HA 0.160 4.510 4.350 -0.001 0.000 0.192 398 E C 0.672 177.239 176.600 -0.055 0.000 0.987 398 E CA 0.165 56.482 56.400 -0.138 0.000 0.841 398 E CB -0.012 29.584 29.700 -0.172 0.000 0.783 398 E HN 0.454 nan 8.360 nan 0.000 0.481 399 A N 0.634 123.443 122.820 -0.019 0.000 2.511 399 A HA 0.068 4.388 4.320 -0.001 0.000 0.242 399 A C 0.900 178.480 177.584 -0.006 0.000 1.069 399 A CA 0.690 52.720 52.037 -0.012 0.000 0.763 399 A CB 0.276 19.283 19.000 0.012 0.000 1.001 399 A HN 0.357 nan 8.150 nan 0.000 0.498 400 T N -0.529 114.016 114.554 -0.016 0.000 3.040 400 T HA 0.319 4.668 4.350 -0.001 0.000 0.266 400 T C 0.557 175.260 174.700 0.005 0.000 1.005 400 T CA 0.473 62.567 62.100 -0.009 0.000 0.906 400 T CB -1.218 67.641 68.868 -0.015 0.000 1.082 400 T HN 1.078 nan 8.240 nan 0.000 0.531 401 V N -0.653 119.267 119.914 0.009 0.000 3.376 401 V HA 0.450 4.569 4.120 -0.001 0.000 0.303 401 V C -2.708 173.407 176.094 0.036 0.000 1.100 401 V CA -2.368 59.951 62.300 0.031 0.000 1.126 401 V CB -0.417 31.426 31.823 0.034 0.000 1.085 401 V HN -0.026 nan 8.190 nan 0.000 0.480 402 P HA 0.262 nan 4.420 nan 0.000 0.268 402 P C -0.880 176.426 177.300 0.011 0.000 1.204 402 P CA 0.217 63.332 63.100 0.025 0.000 0.768 402 P CB 0.225 31.992 31.700 0.112 0.000 0.842 403 K N 3.454 123.815 120.400 -0.064 0.000 2.535 403 K HA 0.498 4.818 4.320 -0.001 0.000 0.253 403 K C -0.666 175.881 176.600 -0.088 0.000 0.953 403 K CA -0.346 55.925 56.287 -0.027 0.000 0.863 403 K CB 1.255 33.746 32.500 -0.015 0.000 1.111 403 K HN 0.395 nan 8.250 nan 0.000 0.431 404 I N 2.373 122.931 120.570 -0.020 0.000 2.389 404 I HA 0.248 4.418 4.170 -0.001 0.000 0.288 404 I C -0.394 175.723 176.117 -0.000 0.000 0.999 404 I CA -0.563 60.734 61.300 -0.004 0.000 1.129 404 I CB 2.096 40.153 38.000 0.096 0.000 1.288 404 I HN 0.429 nan 8.210 nan 0.000 0.444 405 T N 5.704 120.230 114.554 -0.047 0.000 2.807 405 T HA 0.502 4.851 4.350 -0.001 0.000 0.279 405 T C -0.371 174.336 174.700 0.012 0.000 0.993 405 T CA -0.466 61.607 62.100 -0.046 0.000 0.970 405 T CB 1.964 70.765 68.868 -0.112 0.000 0.950 405 T HN 0.160 nan 8.240 nan 0.000 0.441 406 V N 4.036 123.957 119.914 0.011 0.000 2.378 406 V HA 0.352 4.471 4.120 -0.001 0.000 0.288 406 V C -0.053 175.966 176.094 -0.125 0.000 1.016 406 V CA -0.842 61.464 62.300 0.009 0.000 0.840 406 V CB 1.720 33.542 31.823 -0.001 0.000 0.994 406 V HN 0.714 nan 8.190 nan 0.000 0.431 407 V N 6.871 126.729 119.914 -0.093 0.000 2.389 407 V HA 0.231 4.350 4.120 -0.001 0.000 0.264 407 V C 1.064 176.992 176.094 -0.278 0.000 1.049 407 V CA 0.042 62.258 62.300 -0.140 0.000 0.932 407 V CB 1.016 32.792 31.823 -0.078 0.000 1.011 407 V HN 0.755 nan 8.190 nan 0.000 0.475 408 L N 3.542 124.517 121.223 -0.413 0.000 2.102 408 L HA 0.163 4.503 4.340 -0.001 0.000 0.202 408 L C 1.885 178.640 176.870 -0.190 0.000 1.076 408 L CA 1.209 55.694 54.840 -0.592 0.000 0.761 408 L CB -0.118 41.551 42.059 -0.650 0.000 0.921 408 L HN 0.642 nan 8.230 nan 0.000 0.444 409 R N -0.909 119.506 120.500 -0.142 0.000 2.899 409 R HA 0.256 4.596 4.340 -0.001 0.000 0.095 409 R C -0.494 175.719 176.300 -0.145 0.000 0.792 409 R CA -0.634 55.419 56.100 -0.079 0.000 0.613 409 R CB 0.585 30.870 30.300 -0.025 0.000 0.531 409 R HN -0.173 nan 8.270 nan 0.000 0.341 410 K N 0.677 120.943 120.400 -0.224 0.000 2.436 410 K HA 0.322 4.641 4.320 -0.001 0.000 0.275 410 K C -0.985 175.382 176.600 -0.389 0.000 0.999 410 K CA 0.660 56.673 56.287 -0.456 0.000 0.980 410 K CB 1.230 33.306 32.500 -0.706 0.000 0.919 410 K HN 0.479 nan 8.250 nan 0.000 0.484 411 A N 3.770 126.365 122.820 -0.375 0.000 3.158 411 A HA 0.251 4.571 4.320 -0.001 0.000 0.302 411 A C -1.616 175.980 177.584 0.021 0.000 1.162 411 A CA -0.743 51.145 52.037 -0.248 0.000 0.824 411 A CB 0.260 18.892 19.000 -0.613 0.000 1.322 411 A HN 0.476 nan 8.150 nan 0.000 0.510 412 Y N 0.797 121.064 120.300 -0.054 0.000 2.326 412 Y HA 0.574 5.123 4.550 -0.001 0.000 0.337 412 Y C 1.397 177.338 175.900 0.070 0.000 1.023 412 Y CA -0.048 58.049 58.100 -0.005 0.000 1.143 412 Y CB 0.897 39.349 38.460 -0.014 0.000 1.183 412 Y HN 1.136 nan 8.280 nan 0.000 0.485 413 G N 2.491 111.436 108.800 0.242 0.000 2.627 413 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.312 413 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.312 413 G C 1.370 176.411 174.900 0.236 0.000 1.299 413 G CA 0.512 45.732 45.100 0.200 0.000 0.989 413 G HN 1.089 nan 8.290 nan 0.000 0.547 414 G N -0.327 108.626 108.800 0.255 0.000 2.450 414 G HA2 0.029 3.989 3.960 -0.001 0.000 0.220 414 G HA3 0.029 3.989 3.960 -0.001 0.000 0.220 414 G C 2.270 177.385 174.900 0.359 0.000 1.130 414 G CA 2.538 47.823 45.100 0.309 0.000 0.760 414 G HN 1.943 nan 8.290 nan 0.000 0.557 415 S N -0.652 115.179 115.700 0.218 0.000 2.423 415 S HA -0.142 4.327 4.470 -0.001 0.000 0.231 415 S C 2.078 176.661 174.600 -0.028 0.000 1.014 415 S CA 1.205 59.257 58.200 -0.246 0.000 0.965 415 S CB -0.576 62.220 63.200 -0.674 0.000 0.785 415 S HN 0.622 nan 8.310 nan 0.000 0.495 416 Y N 1.953 122.228 120.300 -0.042 0.000 2.243 416 Y HA 0.138 4.688 4.550 -0.001 0.000 0.293 416 Y C 2.000 177.876 175.900 -0.040 0.000 1.124 416 Y CA 1.005 59.076 58.100 -0.047 0.000 1.159 416 Y CB -0.212 38.245 38.460 -0.004 0.000 1.008 416 Y HN 0.170 nan 8.280 nan 0.000 0.527 417 L N 0.432 121.532 121.223 -0.205 0.000 2.083 417 L HA -0.207 4.133 4.340 -0.001 0.000 0.209 417 L C 2.809 179.576 176.870 -0.172 0.000 1.083 417 L CA 1.075 55.739 54.840 -0.293 0.000 0.752 417 L CB -0.882 41.122 42.059 -0.091 0.000 0.899 417 L HN 0.380 nan 8.230 nan 0.000 0.433 418 A N -0.771 122.044 122.820 -0.009 0.000 2.067 418 A HA -0.126 4.193 4.320 -0.001 0.000 0.219 418 A C 1.954 179.553 177.584 0.025 0.000 1.158 418 A CA 1.142 53.239 52.037 0.100 0.000 0.661 418 A CB -0.242 18.898 19.000 0.233 0.000 0.801 418 A HN 0.298 nan 8.150 nan 0.000 0.452 419 M N -1.387 118.127 119.600 -0.143 0.000 2.571 419 M HA 0.166 4.646 4.480 -0.001 0.000 0.235 419 M C 0.451 176.411 176.300 -0.566 0.000 1.216 419 M CA -0.339 54.819 55.300 -0.237 0.000 0.979 419 M CB -1.358 31.177 32.600 -0.109 0.000 1.616 419 M HN 0.533 nan 8.290 nan 0.000 0.469 420 C N 4.104 122.968 119.300 -0.726 0.000 2.910 420 C HA -0.160 4.300 4.460 -0.001 0.000 0.282 420 C C 0.531 175.218 174.990 -0.505 0.000 1.027 420 C CA -0.058 58.502 59.018 -0.764 0.000 2.632 420 C CB -2.088 24.859 27.740 -1.322 0.000 1.573 420 C HN 0.848 nan 8.230 nan 0.000 0.443 421 N N 2.646 121.048 118.700 -0.497 0.000 2.566 421 N HA 0.417 5.156 4.740 -0.001 0.000 0.299 421 N C 1.059 176.411 175.510 -0.263 0.000 1.277 421 N CA 0.145 52.931 53.050 -0.440 0.000 0.965 421 N CB 0.173 38.207 38.487 -0.755 0.000 1.142 421 N HN 0.607 nan 8.380 nan 0.000 0.596 422 R N -0.187 120.210 120.500 -0.173 0.000 2.105 422 R HA -0.106 4.233 4.340 -0.001 0.000 0.239 422 R C 0.806 177.040 176.300 -0.111 0.000 1.135 422 R CA 1.817 57.842 56.100 -0.125 0.000 0.967 422 R CB -0.922 29.332 30.300 -0.077 0.000 0.861 422 R HN 0.624 nan 8.270 nan 0.000 0.442 423 D N -0.119 120.214 120.400 -0.112 0.000 2.264 423 D HA -0.104 4.536 4.640 -0.001 0.000 0.208 423 D C 0.972 177.218 176.300 -0.090 0.000 0.966 423 D CA 0.736 54.684 54.000 -0.086 0.000 0.864 423 D CB 0.160 40.915 40.800 -0.075 0.000 0.933 423 D HN 0.251 nan 8.370 nan 0.000 0.499 424 L N -0.221 120.928 121.223 -0.123 0.000 2.629 424 L HA 0.177 4.516 4.340 -0.001 0.000 0.230 424 L C 1.276 178.100 176.870 -0.078 0.000 1.151 424 L CA 0.409 55.192 54.840 -0.095 0.000 0.924 424 L CB -0.138 41.849 42.059 -0.120 0.000 1.137 424 L HN 0.089 nan 8.230 nan 0.000 0.457 425 G N 0.256 109.001 108.800 -0.092 0.000 2.131 425 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.223 425 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.223 425 G C 0.556 175.387 174.900 -0.115 0.000 0.990 425 G CA 0.081 45.131 45.100 -0.083 0.000 0.671 425 G HN 0.530 nan 8.290 nan 0.000 0.521 426 A N 0.148 122.877 122.820 -0.152 0.000 2.511 426 A HA 0.491 4.811 4.320 -0.001 0.000 0.242 426 A C 1.243 178.695 177.584 -0.220 0.000 1.069 426 A CA 0.921 52.848 52.037 -0.184 0.000 0.763 426 A CB 0.284 19.163 19.000 -0.203 0.000 1.001 426 A HN 0.277 nan 8.150 nan 0.000 0.498 427 D N 0.983 121.195 120.400 -0.314 0.000 2.213 427 D HA 0.206 4.846 4.640 -0.001 0.000 0.205 427 D C 0.645 176.692 176.300 -0.422 0.000 0.961 427 D CA 1.710 55.397 54.000 -0.521 0.000 0.853 427 D CB 0.248 40.397 40.800 -1.085 0.000 0.967 427 D HN 0.679 nan 8.370 nan 0.000 0.496 428 A N 0.542 123.164 122.820 -0.330 0.000 2.455 428 A HA 0.549 4.868 4.320 -0.001 0.000 0.300 428 A C -1.089 176.232 177.584 -0.439 0.000 1.040 428 A CA -0.513 51.320 52.037 -0.341 0.000 0.697 428 A CB 2.104 20.998 19.000 -0.177 0.000 1.265 428 A HN -0.092 nan 8.150 nan 0.000 0.407 429 V N 2.692 122.261 119.914 -0.575 0.000 2.525 429 V HA 0.485 4.605 4.120 -0.001 0.000 0.299 429 V C -1.415 174.361 176.094 -0.531 0.000 1.034 429 V CA -0.386 61.669 62.300 -0.410 0.000 0.863 429 V CB 1.121 32.834 31.823 -0.183 0.000 0.999 429 V HN 0.812 nan 8.190 nan 0.000 0.423 430 Y N 2.210 122.534 120.300 0.041 0.000 2.429 430 Y HA 0.809 5.359 4.550 -0.001 0.000 0.342 430 Y C 0.370 176.307 175.900 0.062 0.000 1.004 430 Y CA -0.847 57.291 58.100 0.063 0.000 1.075 430 Y CB 2.207 40.727 38.460 0.099 0.000 1.214 430 Y HN 0.699 nan 8.280 nan 0.000 0.455 431 A N 2.393 125.346 122.820 0.220 0.000 2.331 431 A HA 0.589 4.908 4.320 -0.001 0.000 0.320 431 A C -1.383 176.355 177.584 0.256 0.000 1.138 431 A CA -0.662 51.461 52.037 0.143 0.000 0.790 431 A CB 0.472 19.485 19.000 0.022 0.000 1.206 431 A HN 0.721 nan 8.150 nan 0.000 0.470 432 W N 2.227 123.511 121.300 -0.028 0.000 2.086 432 W HA 0.399 5.059 4.660 -0.001 0.000 0.355 432 W C -1.860 174.611 176.519 -0.081 0.000 1.313 432 W CA -1.384 55.933 57.345 -0.046 0.000 1.358 432 W CB -0.112 29.320 29.460 -0.047 0.000 1.166 432 W HN 0.500 nan 8.180 nan 0.000 0.630 433 P HA -0.131 nan 4.420 nan 0.000 0.226 433 P C 1.024 178.355 177.300 0.053 0.000 1.153 433 P CA 1.804 64.912 63.100 0.015 0.000 0.777 433 P CB 0.124 31.826 31.700 0.004 0.000 0.794 434 S N -2.146 113.629 115.700 0.124 0.000 2.556 434 S HA 0.369 4.838 4.470 -0.001 0.000 0.216 434 S C 0.992 175.630 174.600 0.064 0.000 0.970 434 S CA -0.441 57.820 58.200 0.101 0.000 0.912 434 S CB -0.565 62.716 63.200 0.134 0.000 0.790 434 S HN 0.059 nan 8.310 nan 0.000 0.504 435 A N 1.671 124.520 122.820 0.048 0.000 2.520 435 A HA 0.372 4.691 4.320 -0.001 0.000 0.245 435 A C 0.321 177.891 177.584 -0.024 0.000 1.072 435 A CA -0.125 51.901 52.037 -0.017 0.000 0.761 435 A CB 0.025 19.005 19.000 -0.033 0.000 1.004 435 A HN 0.514 nan 8.150 nan 0.000 0.499 436 E N 2.803 122.980 120.200 -0.038 0.000 3.303 436 E HA 0.361 4.710 4.350 -0.001 0.000 0.215 436 E C -1.138 175.484 176.600 0.037 0.000 1.181 436 E CA -0.199 56.229 56.400 0.047 0.000 0.998 436 E CB 0.269 30.053 29.700 0.141 0.000 1.312 436 E HN 0.694 nan 8.360 nan 0.000 0.412 437 I N 2.562 123.069 120.570 -0.104 0.000 2.452 437 I HA 0.353 4.523 4.170 -0.001 0.000 0.287 437 I C 0.149 176.223 176.117 -0.073 0.000 1.079 437 I CA 0.098 61.234 61.300 -0.274 0.000 1.387 437 I CB 1.020 38.771 38.000 -0.416 0.000 1.404 437 I HN 0.372 nan 8.210 nan 0.000 0.522 438 A N 5.040 127.855 122.820 -0.009 0.000 2.594 438 A HA 0.419 4.738 4.320 -0.001 0.000 0.295 438 A C 0.098 177.671 177.584 -0.019 0.000 1.071 438 A CA -0.496 51.532 52.037 -0.015 0.000 0.685 438 A CB 1.644 20.597 19.000 -0.079 0.000 1.285 438 A HN 0.454 nan 8.150 nan 0.000 0.405 439 V N 1.248 121.138 119.914 -0.039 0.000 3.041 439 V HA 0.340 4.460 4.120 -0.001 0.000 0.260 439 V C 0.519 176.580 176.094 -0.055 0.000 1.105 439 V CA 2.391 64.675 62.300 -0.025 0.000 1.125 439 V CB -0.740 31.043 31.823 -0.067 0.000 0.730 439 V HN 0.863 nan 8.190 nan 0.000 0.479 440 M N -0.943 118.581 119.600 -0.128 0.000 2.484 440 M HA 0.483 4.963 4.480 -0.001 0.000 0.292 440 M C -0.121 175.945 176.300 -0.389 0.000 1.123 440 M CA -0.009 55.144 55.300 -0.245 0.000 0.910 440 M CB 1.318 33.819 32.600 -0.165 0.000 1.782 440 M HN 0.150 nan 8.290 nan 0.000 0.512 441 G N 1.816 110.238 108.800 -0.629 0.000 2.391 441 G HA2 0.337 4.297 3.960 -0.001 0.000 0.234 441 G HA3 0.337 4.297 3.960 -0.001 0.000 0.234 441 G C 0.833 175.603 174.900 -0.216 0.000 1.284 441 G CA 0.309 45.087 45.100 -0.538 0.000 0.873 441 G HN 1.117 nan 8.290 nan 0.000 0.549 442 A N 1.445 124.239 122.820 -0.043 0.000 1.917 442 A HA -0.152 4.167 4.320 -0.001 0.000 0.219 442 A C 2.111 179.647 177.584 -0.080 0.000 1.182 442 A CA 2.180 54.256 52.037 0.066 0.000 0.633 442 A CB -0.528 18.581 19.000 0.182 0.000 0.819 442 A HN 0.839 nan 8.150 nan 0.000 0.448 443 E N -0.789 119.380 120.200 -0.052 0.000 2.038 443 E HA -0.138 4.212 4.350 -0.001 0.000 0.195 443 E C 2.082 178.621 176.600 -0.102 0.000 1.000 443 E CA 1.266 57.634 56.400 -0.054 0.000 0.803 443 E CB -0.493 29.195 29.700 -0.020 0.000 0.750 443 E HN 0.496 nan 8.360 nan 0.000 0.448 444 G N 0.126 108.852 108.800 -0.124 0.000 2.422 444 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.218 444 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.218 444 G C 1.573 176.352 174.900 -0.202 0.000 1.140 444 G CA 0.791 45.810 45.100 -0.134 0.000 0.775 444 G HN 0.418 nan 8.290 nan 0.000 0.545 445 A N 1.298 123.915 122.820 -0.338 0.000 1.872 445 A HA 0.359 4.679 4.320 -0.001 0.000 0.214 445 A C 2.815 180.131 177.584 -0.447 0.000 1.187 445 A CA 2.003 53.712 52.037 -0.547 0.000 0.614 445 A CB -0.851 17.404 19.000 -1.242 0.000 0.826 445 A HN 0.740 nan 8.150 nan 0.000 0.442 446 A N 0.347 122.946 122.820 -0.367 0.000 1.978 446 A HA -0.218 4.102 4.320 -0.001 0.000 0.220 446 A C 1.902 179.422 177.584 -0.106 0.000 1.170 446 A CA 1.865 53.800 52.037 -0.170 0.000 0.636 446 A CB -0.637 18.319 19.000 -0.073 0.000 0.810 446 A HN 0.568 nan 8.150 nan 0.000 0.448 447 N N 0.144 118.778 118.700 -0.111 0.000 2.106 447 N HA -0.107 4.633 4.740 -0.001 0.000 0.188 447 N C 1.721 177.190 175.510 -0.069 0.000 1.029 447 N CA 1.676 54.683 53.050 -0.072 0.000 0.848 447 N CB -0.622 37.825 38.487 -0.066 0.000 1.007 447 N HN 0.276 nan 8.380 nan 0.000 0.423 448 V N 1.792 121.650 119.914 -0.094 0.000 2.490 448 V HA -0.108 4.011 4.120 -0.001 0.000 0.250 448 V C 1.540 177.603 176.094 -0.052 0.000 1.061 448 V CA 1.007 63.263 62.300 -0.073 0.000 1.064 448 V CB -0.257 31.511 31.823 -0.091 0.000 0.670 448 V HN 0.147 nan 8.190 nan 0.000 0.461 453 E N 3.727 123.925 120.200 -0.002 0.000 2.351 453 E HA 0.085 4.434 4.350 -0.001 0.000 0.236 453 E C 0.638 177.239 176.600 0.000 0.000 1.341 453 E CA -0.203 56.197 56.400 0.000 0.000 1.579 453 E CB 0.102 29.803 29.700 0.003 0.000 1.393 453 E HN 0.278 nan 8.360 nan 0.000 0.438 457 A N -0.412 122.408 122.820 -0.000 0.000 2.550 457 A HA 0.523 4.843 4.320 -0.001 0.000 0.295 457 A C -1.841 175.744 177.584 0.000 0.000 1.001 457 A CA -0.551 51.486 52.037 0.000 0.000 0.660 457 A CB 0.148 19.149 19.000 0.001 0.000 1.308 457 A HN 0.107 nan 8.150 nan 0.000 0.426 458 D N 2.086 122.486 120.400 0.001 0.000 2.520 458 D HA 0.261 4.900 4.640 -0.001 0.000 0.243 458 D C -0.311 175.989 176.300 0.001 0.000 1.160 458 D CA 2.048 56.048 54.000 0.001 0.000 0.877 458 D CB 0.388 41.189 40.800 0.001 0.000 1.150 458 D HN 0.609 nan 8.370 nan 0.000 0.494 459 D N 2.648 123.048 120.400 0.001 0.000 3.729 459 D HA -0.130 4.509 4.640 -0.001 0.000 0.242 459 D C -1.879 174.421 176.300 0.001 0.000 1.091 459 D CA -0.505 53.495 54.000 0.001 0.000 1.096 459 D CB 0.059 40.859 40.800 0.001 0.000 0.901 459 D HN 0.186 nan 8.370 nan 0.000 0.416 460 P HA -0.138 nan 4.420 nan 0.000 0.210 460 P C 1.192 178.492 177.300 -0.000 0.000 1.185 460 P CA 1.022 64.122 63.100 -0.001 0.000 0.924 460 P CB 0.164 31.863 31.700 -0.002 0.000 0.786 461 D N -0.884 119.516 120.400 0.000 0.000 2.228 461 D HA -0.166 4.473 4.640 -0.001 0.000 0.203 461 D C 1.762 178.064 176.300 0.003 0.000 0.988 461 D CA 1.622 55.623 54.000 0.001 0.000 0.864 461 D CB -0.383 40.418 40.800 0.001 0.000 0.928 461 D HN 0.165 nan 8.370 nan 0.000 0.469 462 A N 0.375 123.196 122.820 0.003 0.000 1.975 462 A HA -0.027 4.293 4.320 -0.001 0.000 0.215 462 A C 2.073 179.660 177.584 0.005 0.000 1.170 462 A CA 0.685 52.724 52.037 0.004 0.000 0.656 462 A CB -0.207 18.795 19.000 0.003 0.000 0.821 462 A HN 0.108 nan 8.150 nan 0.000 0.449 463 M N 0.039 119.641 119.600 0.004 0.000 2.200 463 M HA -0.018 4.461 4.480 -0.001 0.000 0.265 463 M C 1.971 178.275 176.300 0.007 0.000 1.066 463 M CA 1.454 56.757 55.300 0.005 0.000 1.127 463 M CB -0.387 32.215 32.600 0.004 0.000 1.379 463 M HN 0.365 nan 8.290 nan 0.000 0.420 464 R N -0.386 120.117 120.500 0.004 0.000 2.064 464 R HA 0.012 4.351 4.340 -0.001 0.000 0.228 464 R C 2.242 178.547 176.300 0.008 0.000 1.144 464 R CA 1.507 57.609 56.100 0.002 0.000 0.932 464 R CB -1.065 29.234 30.300 -0.003 0.000 0.833 464 R HN 0.480 nan 8.270 nan 0.000 0.429 465 A N 1.430 124.255 122.820 0.009 0.000 2.042 465 A HA -0.249 4.071 4.320 -0.001 0.000 0.222 465 A C 2.092 179.688 177.584 0.019 0.000 1.167 465 A CA 1.651 53.697 52.037 0.014 0.000 0.649 465 A CB -0.474 18.533 19.000 0.012 0.000 0.809 465 A HN 0.383 nan 8.150 nan 0.000 0.457 466 E N 0.076 120.286 120.200 0.017 0.000 2.028 466 E HA -0.179 4.171 4.350 -0.001 0.000 0.190 466 E C 1.586 178.203 176.600 0.028 0.000 0.984 466 E CA 1.160 57.571 56.400 0.019 0.000 0.800 466 E CB -0.208 29.500 29.700 0.013 0.000 0.758 466 E HN 0.384 nan 8.360 nan 0.000 0.448 467 K N 0.719 121.137 120.400 0.030 0.000 2.209 467 K HA -0.054 4.265 4.320 -0.001 0.000 0.204 467 K C 2.300 178.946 176.600 0.078 0.000 1.048 467 K CA 0.568 56.884 56.287 0.049 0.000 0.940 467 K CB -0.385 32.138 32.500 0.037 0.000 0.729 467 K HN 0.322 nan 8.250 nan 0.000 0.451 468 I N 0.746 121.350 120.570 0.057 0.000 2.179 468 I HA -0.267 3.902 4.170 -0.001 0.000 0.242 468 I C 2.405 178.584 176.117 0.103 0.000 1.088 468 I CA 1.221 62.565 61.300 0.074 0.000 1.357 468 I CB -0.185 37.839 38.000 0.040 0.000 1.051 468 I HN 0.123 nan 8.210 nan 0.000 0.409 469 E N 1.209 121.450 120.200 0.068 0.000 2.106 469 E HA -0.267 4.082 4.350 -0.001 0.000 0.192 469 E C 2.000 178.631 176.600 0.051 0.000 0.984 469 E CA 1.412 57.845 56.400 0.056 0.000 0.806 469 E CB -0.089 29.631 29.700 0.034 0.000 0.750 469 E HN 0.416 nan 8.360 nan 0.000 0.458 470 E N -1.395 118.837 120.200 0.053 0.000 2.106 470 E HA -0.209 4.141 4.350 -0.001 0.000 0.192 470 E C 1.765 178.379 176.600 0.023 0.000 0.984 470 E CA 0.884 57.299 56.400 0.025 0.000 0.806 470 E CB -0.235 29.482 29.700 0.029 0.000 0.750 470 E HN 0.419 nan 8.360 nan 0.000 0.458 471 Y N 1.083 121.381 120.300 -0.004 0.000 2.220 471 Y HA -0.215 4.334 4.550 -0.001 0.000 0.291 471 Y C 2.458 178.388 175.900 0.050 0.000 1.129 471 Y CA 2.004 60.125 58.100 0.035 0.000 1.161 471 Y CB -0.205 38.300 38.460 0.075 0.000 0.997 471 Y HN 0.075 nan 8.280 nan 0.000 0.522 472 Q N 0.854 120.758 119.800 0.173 0.000 2.045 472 Q HA -0.232 4.107 4.340 -0.001 0.000 0.206 472 Q C 1.686 177.696 176.000 0.017 0.000 0.991 472 Q CA 2.485 58.356 55.803 0.112 0.000 0.851 472 Q CB -0.494 28.309 28.738 0.108 0.000 0.911 472 Q HN 0.455 nan 8.270 nan 0.000 0.418 473 N N -0.516 118.175 118.700 -0.015 0.000 2.409 473 N HA -0.014 4.725 4.740 -0.001 0.000 0.179 473 N C 1.288 176.718 175.510 -0.132 0.000 1.032 473 N CA 1.023 54.049 53.050 -0.041 0.000 0.898 473 N CB -0.260 38.208 38.487 -0.033 0.000 0.971 473 N HN 0.393 nan 8.380 nan 0.000 0.441 474 A N -0.294 122.368 122.820 -0.263 0.000 1.929 474 A HA 0.062 4.382 4.320 -0.001 0.000 0.216 474 A C 1.243 178.421 177.584 -0.677 0.000 1.176 474 A CA 1.045 52.756 52.037 -0.544 0.000 0.628 474 A CB -0.145 18.392 19.000 -0.773 0.000 0.816 474 A HN 0.194 nan 8.150 nan 0.000 0.444 475 F N -1.913 117.861 119.950 -0.292 0.000 2.815 475 F HA 0.210 4.737 4.527 -0.001 0.000 0.328 475 F C 0.834 176.550 175.800 -0.139 0.000 0.982 475 F CA -0.220 57.628 58.000 -0.253 0.000 1.154 475 F CB 0.083 38.824 39.000 -0.432 0.000 0.980 475 F HN 0.052 nan 8.300 nan 0.000 0.603 476 N N 0.381 119.129 118.700 0.079 0.000 2.313 476 N HA 0.069 4.809 4.740 -0.001 0.000 0.207 476 N C 0.279 175.831 175.510 0.070 0.000 1.141 476 N CA 0.384 53.484 53.050 0.083 0.000 0.830 476 N CB -0.150 38.406 38.487 0.115 0.000 1.008 476 N HN 0.241 nan 8.380 nan 0.000 0.481 477 T N -3.350 111.243 114.554 0.066 0.000 2.945 477 T HA 0.403 4.752 4.350 -0.001 0.000 0.286 477 T C -1.933 172.775 174.700 0.013 0.000 1.025 477 T CA -2.003 60.141 62.100 0.072 0.000 1.039 477 T CB 2.508 71.470 68.868 0.158 0.000 1.068 477 T HN -0.277 nan 8.240 nan 0.000 0.497 478 P HA -0.086 nan 4.420 nan 0.000 0.217 478 P C 0.751 177.902 177.300 -0.249 0.000 1.148 478 P CA 1.212 64.181 63.100 -0.219 0.000 0.828 478 P CB -0.244 31.230 31.700 -0.376 0.000 0.783 479 Y N -1.360 118.957 120.300 0.028 0.000 2.293 479 Y HA -0.115 4.434 4.550 -0.001 0.000 0.291 479 Y C 2.312 178.222 175.900 0.018 0.000 1.137 479 Y CA 0.552 58.665 58.100 0.021 0.000 1.202 479 Y CB -1.032 37.434 38.460 0.010 0.000 0.990 479 Y HN -0.213 nan 8.280 nan 0.000 0.537 480 V N -0.605 119.388 119.914 0.132 0.000 2.488 480 V HA -0.209 3.911 4.120 -0.001 0.000 0.246 480 V C 2.449 178.588 176.094 0.076 0.000 1.046 480 V CA 1.339 63.694 62.300 0.092 0.000 1.053 480 V CB -1.072 30.796 31.823 0.075 0.000 0.679 480 V HN 0.429 nan 8.190 nan 0.000 0.458 481 A N 0.425 123.273 122.820 0.047 0.000 1.883 481 A HA -0.155 4.164 4.320 -0.001 0.000 0.217 481 A C 2.425 180.030 177.584 0.036 0.000 1.186 481 A CA 2.213 54.269 52.037 0.032 0.000 0.624 481 A CB -0.809 18.186 19.000 -0.009 0.000 0.822 481 A HN 0.554 nan 8.150 nan 0.000 0.444 482 A N -0.262 122.575 122.820 0.027 0.000 1.933 482 A HA 0.181 4.501 4.320 -0.001 0.000 0.218 482 A C 2.491 180.111 177.584 0.060 0.000 1.175 482 A CA 2.009 54.070 52.037 0.040 0.000 0.628 482 A CB -0.985 18.039 19.000 0.041 0.000 0.814 482 A HN 1.091 nan 8.150 nan 0.000 0.444 483 A N -0.553 122.312 122.820 0.074 0.000 1.933 483 A HA -0.147 4.173 4.320 -0.001 0.000 0.218 483 A C 2.069 179.686 177.584 0.054 0.000 1.175 483 A CA 1.390 53.467 52.037 0.067 0.000 0.628 483 A CB -0.359 18.681 19.000 0.067 0.000 0.814 483 A HN 0.356 nan 8.150 nan 0.000 0.444 484 R N -1.251 119.283 120.500 0.057 0.000 2.313 484 R HA 0.106 4.445 4.340 -0.001 0.000 0.199 484 R C 1.338 177.662 176.300 0.041 0.000 0.958 484 R CA 0.739 56.871 56.100 0.053 0.000 1.047 484 R CB -0.688 29.651 30.300 0.065 0.000 0.955 484 R HN 0.864 nan 8.270 nan 0.000 0.481 485 G N 1.082 109.904 108.800 0.038 0.000 2.143 485 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.249 485 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.249 485 G C 0.801 175.712 174.900 0.018 0.000 0.981 485 G CA 0.516 45.632 45.100 0.026 0.000 0.665 485 G HN 0.396 nan 8.290 nan 0.000 0.528 486 Q N -0.809 119.010 119.800 0.031 0.000 2.297 486 Q HA 0.241 4.581 4.340 -0.001 0.000 0.204 486 Q C 1.302 177.316 176.000 0.024 0.000 0.962 486 Q CA 1.432 57.260 55.803 0.042 0.000 0.879 486 Q CB 0.324 29.113 28.738 0.085 0.000 0.947 486 Q HN 1.083 nan 8.270 nan 0.000 0.462 487 V N -2.975 116.943 119.914 0.006 0.000 2.823 487 V HA 0.281 4.401 4.120 -0.001 0.000 0.312 487 V C -0.157 175.918 176.094 -0.032 0.000 1.072 487 V CA -0.897 61.386 62.300 -0.028 0.000 0.937 487 V CB 2.020 33.841 31.823 -0.004 0.000 1.013 487 V HN -0.126 nan 8.190 nan 0.000 0.430 488 D N 1.191 121.536 120.400 -0.092 0.000 2.277 488 D HA 0.149 4.788 4.640 -0.001 0.000 0.208 488 D C 0.200 176.545 176.300 0.075 0.000 0.962 488 D CA 1.545 55.525 54.000 -0.033 0.000 0.865 488 D CB 0.378 41.111 40.800 -0.110 0.000 0.939 488 D HN 0.844 nan 8.370 nan 0.000 0.510 489 D N -1.480 118.995 120.400 0.125 0.000 2.683 489 D HA 0.145 4.784 4.640 -0.001 0.000 0.246 489 D C -1.586 174.808 176.300 0.156 0.000 1.238 489 D CA -0.571 53.533 54.000 0.172 0.000 0.759 489 D CB 1.727 42.686 40.800 0.264 0.000 1.349 489 D HN -0.340 nan 8.370 nan 0.000 0.426 490 V N 2.650 122.611 119.914 0.078 0.000 2.398 490 V HA 0.590 4.710 4.120 -0.001 0.000 0.286 490 V C 0.374 176.495 176.094 0.046 0.000 1.026 490 V CA -0.572 61.732 62.300 0.006 0.000 0.868 490 V CB 0.930 32.642 31.823 -0.185 0.000 0.982 490 V HN 0.497 nan 8.190 nan 0.000 0.443 491 I N 0.358 120.964 120.570 0.059 0.000 2.957 491 I HA 0.695 4.864 4.170 -0.001 0.000 0.310 491 I C -0.553 175.493 176.117 -0.118 0.000 1.063 491 I CA -0.877 60.417 61.300 -0.008 0.000 1.033 491 I CB 2.124 40.117 38.000 -0.011 0.000 1.230 491 I HN 0.454 nan 8.210 nan 0.000 0.447 492 D N 4.273 124.575 120.400 -0.163 0.000 2.383 492 D HA 0.254 4.894 4.640 -0.001 0.000 0.252 492 D C -1.857 174.174 176.300 -0.449 0.000 1.166 492 D CA -2.150 51.697 54.000 -0.255 0.000 0.879 492 D CB 1.695 42.390 40.800 -0.175 0.000 1.164 492 D HN 0.303 nan 8.370 nan 0.000 0.462 493 P HA -0.129 nan 4.420 nan 0.000 0.217 493 P C 0.880 177.816 177.300 -0.606 0.000 1.148 493 P CA 1.614 63.899 63.100 -1.358 0.000 0.828 493 P CB 0.128 30.665 31.700 -1.938 0.000 0.783 494 A N -0.348 122.233 122.820 -0.397 0.000 2.070 494 A HA -0.178 4.142 4.320 -0.001 0.000 0.220 494 A C 1.575 179.071 177.584 -0.148 0.000 1.159 494 A CA 1.694 53.600 52.037 -0.219 0.000 0.656 494 A CB -0.968 17.930 19.000 -0.170 0.000 0.800 494 A HN 0.128 nan 8.150 nan 0.000 0.453 495 D N -1.169 119.136 120.400 -0.159 0.000 2.340 495 D HA 0.044 4.683 4.640 -0.001 0.000 0.217 495 D C 1.359 177.609 176.300 -0.083 0.000 1.081 495 D CA 0.642 54.575 54.000 -0.112 0.000 0.842 495 D CB -0.134 40.594 40.800 -0.119 0.000 0.934 495 D HN 0.311 nan 8.370 nan 0.000 0.511 496 T N 0.920 115.457 114.554 -0.027 0.000 2.653 496 T HA -0.249 4.101 4.350 -0.001 0.000 0.268 496 T C 1.949 176.669 174.700 0.033 0.000 1.035 496 T CA 1.276 63.430 62.100 0.090 0.000 1.154 496 T CB 0.066 69.128 68.868 0.324 0.000 0.862 496 T HN 0.228 nan 8.240 nan 0.000 0.441 497 R N 0.853 121.366 120.500 0.021 0.000 2.080 497 R HA -0.089 4.250 4.340 -0.001 0.000 0.236 497 R C 2.639 178.926 176.300 -0.022 0.000 1.137 497 R CA 1.718 57.819 56.100 0.003 0.000 0.943 497 R CB -0.213 30.079 30.300 -0.013 0.000 0.846 497 R HN 0.305 nan 8.270 nan 0.000 0.431 498 R N 0.347 120.821 120.500 -0.044 0.000 2.081 498 R HA -0.126 4.214 4.340 -0.001 0.000 0.235 498 R C 1.894 178.151 176.300 -0.070 0.000 1.131 498 R CA 1.581 57.651 56.100 -0.050 0.000 0.960 498 R CB 0.011 30.277 30.300 -0.056 0.000 0.856 498 R HN 0.089 nan 8.270 nan 0.000 0.436 499 K N 0.662 120.977 120.400 -0.142 0.000 2.026 499 K HA -0.130 4.190 4.320 -0.001 0.000 0.208 499 K C 2.136 178.665 176.600 -0.118 0.000 1.048 499 K CA 1.464 57.578 56.287 -0.288 0.000 0.929 499 K CB -0.385 31.718 32.500 -0.662 0.000 0.713 499 K HN 0.325 nan 8.250 nan 0.000 0.439 500 I N 1.051 121.607 120.570 -0.023 0.000 2.179 500 I HA -0.275 3.895 4.170 -0.001 0.000 0.242 500 I C 2.489 178.661 176.117 0.092 0.000 1.088 500 I CA 1.195 62.553 61.300 0.097 0.000 1.357 500 I CB -0.437 37.617 38.000 0.091 0.000 1.051 500 I HN 0.064 nan 8.210 nan 0.000 0.409 501 A N 0.159 123.006 122.820 0.045 0.000 1.883 501 A HA -0.230 4.090 4.320 -0.001 0.000 0.217 501 A C 2.487 180.109 177.584 0.063 0.000 1.186 501 A CA 2.432 54.493 52.037 0.040 0.000 0.624 501 A CB -0.815 18.188 19.000 0.006 0.000 0.822 501 A HN 0.403 nan 8.150 nan 0.000 0.444 502 S N -0.344 115.389 115.700 0.055 0.000 2.368 502 S HA 0.012 4.482 4.470 -0.001 0.000 0.224 502 S C 2.301 176.976 174.600 0.125 0.000 1.029 502 S CA 1.107 59.348 58.200 0.069 0.000 0.988 502 S CB -0.446 62.781 63.200 0.045 0.000 0.838 502 S HN 0.804 nan 8.310 nan 0.000 0.462 503 A N 1.446 124.386 122.820 0.200 0.000 1.902 503 A HA 0.017 4.337 4.320 -0.001 0.000 0.217 503 A C 2.104 179.884 177.584 0.326 0.000 1.181 503 A CA 1.063 53.302 52.037 0.336 0.000 0.623 503 A CB -0.717 18.537 19.000 0.423 0.000 0.818 503 A HN 0.440 nan 8.150 nan 0.000 0.443 504 L N -0.809 120.549 121.223 0.224 0.000 2.046 504 L HA -0.218 4.122 4.340 -0.001 0.000 0.208 504 L C 2.691 179.665 176.870 0.173 0.000 1.077 504 L CA 1.809 56.766 54.840 0.195 0.000 0.747 504 L CB -0.434 41.704 42.059 0.132 0.000 0.896 504 L HN 0.505 nan 8.230 nan 0.000 0.432 505 E N 0.320 120.598 120.200 0.130 0.000 2.051 505 E HA -0.287 4.063 4.350 -0.001 0.000 0.192 505 E C 2.056 178.687 176.600 0.051 0.000 0.991 505 E CA 1.655 58.115 56.400 0.101 0.000 0.799 505 E CB -0.219 29.527 29.700 0.077 0.000 0.748 505 E HN 0.231 nan 8.360 nan 0.000 0.449 506 M N -0.616 118.982 119.600 -0.004 0.000 2.175 506 M HA -0.066 4.414 4.480 -0.001 0.000 0.264 506 M C 1.022 177.144 176.300 -0.297 0.000 1.063 506 M CA 1.557 56.753 55.300 -0.174 0.000 1.119 506 M CB -0.441 31.982 32.600 -0.296 0.000 1.377 506 M HN 0.198 nan 8.290 nan 0.000 0.415 507 Y N -0.094 120.249 120.300 0.073 0.000 2.471 507 Y HA 0.389 4.938 4.550 -0.001 0.000 0.286 507 Y C 2.067 178.011 175.900 0.072 0.000 1.188 507 Y CA 0.365 58.504 58.100 0.066 0.000 1.286 507 Y CB -1.179 37.320 38.460 0.065 0.000 1.072 507 Y HN 0.353 nan 8.280 nan 0.000 0.517 508 A N -0.296 122.609 122.820 0.142 0.000 2.070 508 A HA -0.153 4.166 4.320 -0.001 0.000 0.220 508 A C 2.033 179.680 177.584 0.106 0.000 1.159 508 A CA 1.932 54.054 52.037 0.142 0.000 0.656 508 A CB -0.814 18.269 19.000 0.139 0.000 0.800 508 A HN 0.392 nan 8.150 nan 0.000 0.453 509 T N -2.682 111.914 114.554 0.070 0.000 3.186 509 T HA 0.246 4.595 4.350 -0.001 0.000 0.257 509 T C 0.442 175.184 174.700 0.071 0.000 1.029 509 T CA -0.198 61.934 62.100 0.053 0.000 0.916 509 T CB -0.353 68.527 68.868 0.020 0.000 1.041 509 T HN 0.404 nan 8.240 nan 0.000 0.562 510 K N 1.753 122.228 120.400 0.125 0.000 2.484 510 K HA 0.128 4.447 4.320 -0.001 0.000 0.280 510 K C -0.602 176.057 176.600 0.097 0.000 1.013 510 K CA -0.111 56.271 56.287 0.159 0.000 1.029 510 K CB 0.328 32.973 32.500 0.242 0.000 0.902 510 K HN 0.020 nan 8.250 nan 0.000 0.481 511 R N 3.303 123.850 120.500 0.078 0.000 2.521 511 R HA 0.159 4.499 4.340 -0.001 0.000 0.295 511 R C -1.546 174.779 176.300 0.041 0.000 1.183 511 R CA -0.402 55.728 56.100 0.049 0.000 0.957 511 R CB 1.376 31.698 30.300 0.037 0.000 1.171 511 R HN 0.700 nan 8.270 nan 0.000 0.494 512 Q N 1.771 121.590 119.800 0.031 0.000 2.330 512 Q HA 0.504 4.844 4.340 -0.001 0.000 0.269 512 Q C -0.764 175.239 176.000 0.005 0.000 1.022 512 Q CA -0.664 55.151 55.803 0.019 0.000 0.796 512 Q CB 1.624 30.372 28.738 0.017 0.000 1.271 512 Q HN 0.675 nan 8.270 nan 0.000 0.450 513 T N 1.076 115.631 114.554 0.002 0.000 2.928 513 T HA 0.658 5.007 4.350 -0.001 0.000 0.284 513 T C -0.173 174.520 174.700 -0.012 0.000 1.008 513 T CA -0.972 61.124 62.100 -0.005 0.000 1.057 513 T CB 1.415 70.281 68.868 -0.003 0.000 1.018 513 T HN 0.409 nan 8.240 nan 0.000 0.493 514 R N 1.080 121.570 120.500 -0.016 0.000 2.854 514 R HA 0.586 4.925 4.340 -0.001 0.000 0.271 514 R C -2.666 173.623 176.300 -0.018 0.000 0.996 514 R CA -2.143 53.944 56.100 -0.022 0.000 0.961 514 R CB 0.247 30.531 30.300 -0.027 0.000 1.182 514 R HN 0.571 nan 8.270 nan 0.000 0.479 515 P HA 0.138 nan 4.420 nan 0.000 0.268 515 P C -0.816 176.475 177.300 -0.016 0.000 1.205 515 P CA -0.175 62.915 63.100 -0.017 0.000 0.771 515 P CB 0.455 32.145 31.700 -0.017 0.000 0.858 516 A N 3.335 126.145 122.820 -0.016 0.000 2.520 516 A HA 0.435 4.754 4.320 -0.001 0.000 0.245 516 A C 0.361 177.930 177.584 -0.024 0.000 1.072 516 A CA 0.408 52.434 52.037 -0.018 0.000 0.761 516 A CB -0.414 18.576 19.000 -0.017 0.000 1.004 516 A HN 0.668 nan 8.150 nan 0.000 0.499 517 K N 1.310 121.692 120.400 -0.030 0.000 2.660 517 K HA 0.318 4.638 4.320 -0.001 0.000 0.285 517 K C -0.375 176.181 176.600 -0.073 0.000 0.997 517 K CA -0.888 55.366 56.287 -0.055 0.000 0.861 517 K CB 0.950 33.426 32.500 -0.040 0.000 1.469 517 K HN 0.305 nan 8.250 nan 0.000 0.395 518 K N 0.080 120.385 120.400 -0.158 0.000 2.057 518 K HA -0.101 4.218 4.320 -0.001 0.000 0.206 518 K C -0.098 176.452 176.600 -0.082 0.000 1.050 518 K CA 2.035 58.223 56.287 -0.166 0.000 0.935 518 K CB -0.343 31.966 32.500 -0.318 0.000 0.715 518 K HN 0.833 nan 8.250 nan 0.000 0.439 519 H N -4.329 114.756 119.070 0.026 0.000 2.919 519 H HA 0.359 4.914 4.556 -0.001 0.000 0.270 519 H C -0.333 175.049 175.328 0.089 0.000 1.412 519 H CA -0.670 55.406 56.048 0.047 0.000 1.261 519 H CB 0.185 29.964 29.762 0.028 0.000 1.850 519 H HN 0.048 nan 8.280 nan 0.000 0.478 520 G N -0.380 108.640 108.800 0.368 0.000 2.535 520 G HA2 0.306 4.266 3.960 -0.001 0.000 0.282 520 G HA3 0.306 4.266 3.960 -0.001 0.000 0.282 520 G C -0.609 174.551 174.900 0.432 0.000 1.350 520 G CA -0.938 44.398 45.100 0.393 0.000 1.039 520 G HN 0.692 nan 8.290 nan 0.000 0.509 521 N N 0.059 118.958 118.700 0.331 0.000 2.936 521 N HA 0.155 4.895 4.740 -0.001 0.000 0.243 521 N C -0.980 174.461 175.510 -0.116 0.000 1.149 521 N CA -0.341 52.795 53.050 0.142 0.000 0.914 521 N CB 1.029 39.585 38.487 0.115 0.000 1.179 521 N HN 0.364 nan 8.380 nan 0.000 0.502 522 F N 2.766 122.392 119.950 -0.540 0.000 2.608 522 F HA 0.150 4.677 4.527 -0.001 0.000 0.380 522 F C -1.534 173.968 175.800 -0.498 0.000 1.083 522 F CA -0.960 56.446 58.000 -0.991 0.000 1.266 522 F CB 0.526 39.105 39.000 -0.702 0.000 1.076 522 F HN 0.280 nan 8.300 nan 0.000 0.574 523 P HA 0.048 nan 4.420 nan 0.000 0.267 523 P C -0.743 176.210 177.300 -0.578 0.000 1.200 523 P CA -0.256 62.450 63.100 -0.656 0.000 0.772 523 P CB 0.463 31.791 31.700 -0.619 0.000 0.855 524 C N 0.000 119.095 119.300 -0.342 0.000 2.653 524 C HA 0.000 4.460 4.460 -0.001 0.000 0.325 524 C CA 0.000 58.873 59.018 -0.242 0.000 1.963 524 C CB 0.000 27.657 27.740 -0.138 0.000 2.134 524 C HN 0.000 nan 8.230 nan 0.000 0.568