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 1e79_1_A DATA FIRST_RESID 19 DATA SEQUENCE ADTSVDLEET GRVLSIGDGI ARVHGLRNVQ AEEMVEFSSG LKGMSLNLEP DATA SEQUENCE DNVGVVVFGN DKLIKEGDIV KRTGAIVDVP VGEELLGRVV DALGNAIDGK DATA SEQUENCE GPIGSKARRR VGLKAPGIIP RISVREPMQT GIKAVDSLVP IGRGQRELII DATA SEQUENCE GDRQTGKTSI AIDTIINQKR FNDGTDEKKK LYCIYVAIGQ KRSTVAQLVK DATA SEQUENCE RLTDADAMKY TIVVSATASD AAPLQYLAPY SGCSMGEYFR DNGKHALIIY DATA SEQUENCE DDLSKQAVAY RQMSLLLRRP PGREAYPGDV FYLHSRLLER AAKMNDAFGG DATA SEQUENCE GSLTALPVIE TQAGDVSAYI PTNVISITDG QIFLETELFY KGIRPAINVG DATA SEQUENCE LSVSRVGSAA QTRAMKQVAG TMKLELAQYR EVAAFAQFGS DLDAATQQLL DATA SEQUENCE SRGVRLTELL KQGQYSPMAI EEQVAVIYAG VRGYLDKLEP SKITKFENAF DATA SEQUENCE LSHVISQHQA LLGKIRTDGK ISEESDAKLK EIVTNFLAGF EA 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 19 A HA 0.000 nan 4.320 nan 0.000 0.244 19 A C 0.000 177.587 177.584 0.005 0.000 1.274 19 A CA 0.000 52.039 52.037 0.004 0.000 0.836 19 A CB 0.000 19.002 19.000 0.004 0.000 0.831 20 D N 1.260 121.664 120.400 0.005 0.000 2.193 20 D HA 0.509 5.149 4.640 -0.000 0.000 0.249 20 D C 0.054 176.359 176.300 0.008 0.000 1.034 20 D CA 1.067 55.070 54.000 0.006 0.000 0.902 20 D CB 0.979 41.782 40.800 0.005 0.000 1.182 20 D HN 0.745 nan 8.370 nan 0.000 0.436 21 T N -0.273 114.286 114.554 0.009 0.000 3.728 21 T HA -0.228 4.122 4.350 -0.000 0.000 0.355 21 T C 1.387 176.096 174.700 0.015 0.000 0.760 21 T CA 1.177 63.284 62.100 0.012 0.000 1.841 21 T CB -1.533 67.340 68.868 0.009 0.000 1.853 21 T HN 0.506 nan 8.240 nan 0.000 0.743 22 S N -0.511 115.197 115.700 0.013 0.000 2.402 22 S HA 0.098 4.568 4.470 -0.000 0.000 0.229 22 S C 1.130 175.741 174.600 0.019 0.000 1.021 22 S CA 0.313 58.521 58.200 0.014 0.000 0.974 22 S CB -0.349 62.857 63.200 0.009 0.000 0.800 22 S HN 0.982 nan 8.310 nan 0.000 0.484 23 V N 3.286 123.213 119.914 0.021 0.000 5.239 23 V HA -0.181 3.939 4.120 -0.000 0.000 0.368 23 V C 0.183 176.289 176.094 0.019 0.000 0.692 23 V CA 0.718 63.034 62.300 0.026 0.000 1.396 23 V CB -1.599 30.253 31.823 0.048 0.000 1.652 23 V HN 0.640 nan 8.190 nan 0.000 0.463 24 D N 5.342 125.746 120.400 0.007 0.000 2.356 24 D HA 0.081 4.721 4.640 -0.000 0.000 0.272 24 D C 1.004 177.297 176.300 -0.012 0.000 1.337 24 D CA 0.075 54.073 54.000 -0.004 0.000 0.970 24 D CB 0.694 41.488 40.800 -0.009 0.000 1.092 24 D HN 0.599 nan 8.370 nan 0.000 0.516 25 L N 2.991 124.203 121.223 -0.018 0.000 2.610 25 L HA 0.008 4.348 4.340 -0.000 0.000 0.232 25 L C 1.813 178.645 176.870 -0.063 0.000 1.149 25 L CA 0.367 55.176 54.840 -0.051 0.000 0.872 25 L CB -0.080 41.936 42.059 -0.071 0.000 0.992 25 L HN 0.421 nan 8.230 nan 0.000 0.447 26 E N 0.254 120.428 120.200 -0.043 0.000 2.075 26 E HA -0.068 4.282 4.350 -0.000 0.000 0.190 26 E C 1.107 177.681 176.600 -0.044 0.000 0.969 26 E CA 0.666 57.041 56.400 -0.043 0.000 0.815 26 E CB 0.306 29.988 29.700 -0.031 0.000 0.776 26 E HN 0.417 nan 8.360 nan 0.000 0.457 27 E N 0.529 120.706 120.200 -0.039 0.000 2.526 27 E HA 0.064 4.414 4.350 -0.000 0.000 0.208 27 E C 0.574 177.145 176.600 -0.049 0.000 0.997 27 E CA 0.267 56.642 56.400 -0.042 0.000 0.961 27 E CB 1.264 30.944 29.700 -0.034 0.000 1.030 27 E HN 0.190 nan 8.360 nan 0.000 0.483 28 T N -2.490 112.037 114.554 -0.046 0.000 2.841 28 T HA 0.753 5.103 4.350 -0.000 0.000 0.296 28 T C 0.013 174.687 174.700 -0.042 0.000 1.166 28 T CA -0.458 61.614 62.100 -0.046 0.000 1.007 28 T CB 2.515 71.365 68.868 -0.029 0.000 1.253 28 T HN 0.002 nan 8.240 nan 0.000 0.511 29 G N 0.235 109.015 108.800 -0.034 0.000 2.687 29 G HA2 0.700 4.660 3.960 -0.000 0.000 0.291 29 G HA3 0.700 4.660 3.960 -0.000 0.000 0.291 29 G C -1.758 173.164 174.900 0.038 0.000 1.420 29 G CA -1.057 44.040 45.100 -0.005 0.000 0.796 29 G HN 0.772 nan 8.290 nan 0.000 0.485 30 R N -0.102 120.455 120.500 0.095 0.000 2.532 30 R HA 0.451 4.791 4.340 -0.000 0.000 0.297 30 R C -0.767 175.603 176.300 0.116 0.000 0.984 30 R CA -0.691 55.469 56.100 0.100 0.000 0.884 30 R CB 2.460 32.819 30.300 0.098 0.000 1.182 30 R HN 0.349 nan 8.270 nan 0.000 0.442 31 V N 5.457 125.442 119.914 0.119 0.000 2.509 31 V HA -0.075 4.045 4.120 -0.000 0.000 0.297 31 V C 1.652 177.800 176.094 0.089 0.000 1.014 31 V CA 0.646 63.024 62.300 0.130 0.000 1.127 31 V CB 0.282 32.198 31.823 0.155 0.000 0.925 31 V HN 0.734 nan 8.190 nan 0.000 0.480 32 L N 3.937 125.211 121.223 0.086 0.000 2.202 32 L HA 0.145 4.485 4.340 -0.000 0.000 0.205 32 L C 0.937 177.831 176.870 0.040 0.000 1.083 32 L CA 0.916 55.788 54.840 0.053 0.000 0.790 32 L CB 0.070 42.165 42.059 0.059 0.000 0.942 32 L HN 0.865 nan 8.230 nan 0.000 0.452 33 S N -1.050 114.680 115.700 0.050 0.000 2.565 33 S HA 0.637 5.107 4.470 -0.000 0.000 0.269 33 S C -1.162 173.461 174.600 0.038 0.000 1.153 33 S CA -0.812 57.408 58.200 0.034 0.000 0.835 33 S CB 2.518 65.732 63.200 0.024 0.000 1.122 33 S HN -0.002 nan 8.310 nan 0.000 0.462 34 I N 0.323 120.904 120.570 0.018 0.000 2.644 34 I HA 0.866 5.036 4.170 -0.000 0.000 0.291 34 I C -0.468 175.642 176.117 -0.012 0.000 1.180 34 I CA 0.390 61.692 61.300 0.003 0.000 1.040 34 I CB 1.547 39.536 38.000 -0.018 0.000 1.255 34 I HN 1.386 nan 8.210 nan 0.000 0.422 35 G N 4.460 113.251 108.800 -0.015 0.000 2.596 35 G HA2 0.410 4.370 3.960 -0.000 0.000 0.296 35 G HA3 0.410 4.370 3.960 -0.000 0.000 0.296 35 G C -1.368 173.519 174.900 -0.023 0.000 1.513 35 G CA -0.489 44.599 45.100 -0.020 0.000 0.851 35 G HN 0.709 nan 8.290 nan 0.000 0.548 36 D N -0.203 120.181 120.400 -0.027 0.000 2.686 36 D HA -0.180 4.460 4.640 -0.000 0.000 0.235 36 D C 1.610 177.891 176.300 -0.031 0.000 1.160 36 D CA 2.637 56.620 54.000 -0.029 0.000 0.645 36 D CB -1.152 39.630 40.800 -0.029 0.000 1.039 36 D HN 2.240 nan 8.370 nan 0.000 0.423 37 G N -0.954 107.826 108.800 -0.033 0.000 2.168 37 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.263 37 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.263 37 G C 0.224 175.121 174.900 -0.006 0.000 0.977 37 G CA 0.411 45.493 45.100 -0.029 0.000 0.659 37 G HN 0.515 nan 8.290 nan 0.000 0.533 38 I N 0.635 121.203 120.570 -0.003 0.000 2.436 38 I HA 0.696 4.866 4.170 -0.000 0.000 0.289 38 I C 0.318 176.460 176.117 0.041 0.000 1.010 38 I CA -0.966 60.349 61.300 0.025 0.000 1.098 38 I CB 1.478 39.483 38.000 0.009 0.000 1.266 38 I HN 0.324 nan 8.210 nan 0.000 0.434 39 A N 7.332 130.211 122.820 0.099 0.000 2.304 39 A HA 0.691 5.011 4.320 -0.000 0.000 0.314 39 A C -0.194 177.469 177.584 0.131 0.000 1.187 39 A CA -0.764 51.353 52.037 0.133 0.000 0.810 39 A CB 0.971 20.130 19.000 0.265 0.000 1.183 39 A HN 0.571 nan 8.150 nan 0.000 0.487 40 R N 1.659 122.216 120.500 0.095 0.000 2.234 40 R HA 0.455 4.795 4.340 -0.000 0.000 0.324 40 R C -0.858 175.501 176.300 0.099 0.000 1.054 40 R CA -0.194 55.955 56.100 0.081 0.000 0.912 40 R CB 1.040 31.375 30.300 0.059 0.000 1.030 40 R HN 0.450 nan 8.270 nan 0.000 0.455 41 V N 3.223 123.190 119.914 0.088 0.000 2.540 41 V HA 0.176 4.296 4.120 -0.000 0.000 0.302 41 V C -0.128 176.019 176.094 0.088 0.000 1.035 41 V CA -1.009 61.345 62.300 0.090 0.000 0.873 41 V CB 1.665 33.519 31.823 0.052 0.000 0.992 41 V HN 0.710 nan 8.190 nan 0.000 0.428 42 H N 2.757 121.837 119.070 0.017 0.000 2.548 42 H HA 0.653 5.209 4.556 -0.000 0.000 0.331 42 H C 0.568 175.897 175.328 0.000 0.000 1.093 42 H CA 1.466 57.519 56.048 0.009 0.000 1.367 42 H CB 1.037 30.806 29.762 0.011 0.000 1.455 42 H HN 1.099 nan 8.280 nan 0.000 0.519 43 G N 3.119 111.589 108.800 -0.550 0.000 2.578 43 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.232 43 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.232 43 G C -0.091 174.705 174.900 -0.175 0.000 1.176 43 G CA -0.406 44.480 45.100 -0.357 0.000 0.968 43 G HN 1.154 nan 8.290 nan 0.000 0.583 44 L N -0.081 121.074 121.223 -0.113 0.000 3.833 44 L HA -0.222 4.118 4.340 -0.000 0.000 0.447 44 L C 2.189 179.012 176.870 -0.078 0.000 1.213 44 L CA 0.734 55.523 54.840 -0.084 0.000 0.801 44 L CB -0.719 41.292 42.059 -0.079 0.000 1.676 44 L HN 0.601 nan 8.230 nan 0.000 0.883 45 R N 0.068 120.519 120.500 -0.082 0.000 2.152 45 R HA -0.064 4.276 4.340 -0.000 0.000 0.232 45 R C 1.514 177.786 176.300 -0.047 0.000 1.117 45 R CA 1.225 57.285 56.100 -0.067 0.000 0.981 45 R CB -0.379 29.883 30.300 -0.064 0.000 0.870 45 R HN 0.570 nan 8.270 nan 0.000 0.451 46 N N 0.283 118.956 118.700 -0.045 0.000 2.299 46 N HA -0.011 4.729 4.740 -0.000 0.000 0.187 46 N C 0.193 175.683 175.510 -0.034 0.000 1.099 46 N CA 0.122 53.151 53.050 -0.035 0.000 0.867 46 N CB 0.272 38.740 38.487 -0.032 0.000 0.974 46 N HN 0.038 nan 8.380 nan 0.000 0.477 47 V N -0.051 119.838 119.914 -0.040 0.000 2.901 47 V HA 0.023 4.143 4.120 -0.000 0.000 0.307 47 V C 0.415 176.494 176.094 -0.025 0.000 1.084 47 V CA -0.402 61.876 62.300 -0.038 0.000 1.184 47 V CB 0.276 32.072 31.823 -0.044 0.000 0.941 47 V HN 0.078 nan 8.190 nan 0.000 0.493 48 Q N 2.391 122.179 119.800 -0.021 0.000 2.230 48 Q HA 0.663 5.003 4.340 -0.000 0.000 0.248 48 Q C 0.271 176.269 176.000 -0.002 0.000 0.915 48 Q CA -0.408 55.389 55.803 -0.011 0.000 0.900 48 Q CB 1.665 30.396 28.738 -0.010 0.000 1.229 48 Q HN 1.134 nan 8.270 nan 0.000 0.439 49 A N 1.860 124.684 122.820 0.007 0.000 2.546 49 A HA 0.054 4.374 4.320 -0.000 0.000 0.243 49 A C 0.395 177.994 177.584 0.025 0.000 1.063 49 A CA 0.454 52.504 52.037 0.020 0.000 0.757 49 A CB -0.154 18.863 19.000 0.028 0.000 0.991 49 A HN 0.994 nan 8.150 nan 0.000 0.503 50 E N -0.717 119.506 120.200 0.039 0.000 4.129 50 E HA -0.169 4.181 4.350 -0.000 0.000 0.354 50 E C 0.187 176.806 176.600 0.031 0.000 0.673 50 E CA 1.477 57.907 56.400 0.051 0.000 1.347 50 E CB -1.481 28.244 29.700 0.040 0.000 1.722 50 E HN 0.926 nan 8.360 nan 0.000 0.410 51 E N 0.430 120.634 120.200 0.007 0.000 2.354 51 E HA 0.119 4.469 4.350 -0.000 0.000 0.269 51 E C -0.128 176.451 176.600 -0.036 0.000 1.036 51 E CA -0.258 56.131 56.400 -0.019 0.000 0.876 51 E CB 0.531 30.213 29.700 -0.030 0.000 1.009 51 E HN 0.092 nan 8.360 nan 0.000 0.416 52 M N 5.186 124.745 119.600 -0.068 0.000 2.156 52 M HA 0.107 4.587 4.480 -0.000 0.000 0.345 52 M C -0.310 175.913 176.300 -0.129 0.000 1.398 52 M CA -0.247 54.979 55.300 -0.124 0.000 1.148 52 M CB 0.399 32.902 32.600 -0.161 0.000 1.663 52 M HN 0.373 nan 8.290 nan 0.000 0.464 53 V N 1.831 121.655 119.914 -0.151 0.000 3.193 53 V HA 0.697 4.817 4.120 -0.000 0.000 0.320 53 V C -0.572 175.386 176.094 -0.227 0.000 1.112 53 V CA -0.865 61.322 62.300 -0.190 0.000 1.026 53 V CB 2.014 33.699 31.823 -0.229 0.000 1.128 53 V HN 0.848 nan 8.190 nan 0.000 0.452 54 E N -0.041 120.007 120.200 -0.254 0.000 2.256 54 E HA 0.519 4.869 4.350 -0.000 0.000 0.268 54 E C -1.711 174.747 176.600 -0.236 0.000 0.877 54 E CA -0.694 55.600 56.400 -0.176 0.000 0.757 54 E CB 1.839 31.494 29.700 -0.074 0.000 1.183 54 E HN 0.586 nan 8.360 nan 0.000 0.418 55 F N 1.510 121.460 119.950 0.000 0.000 2.378 55 F HA 0.158 4.685 4.527 -0.000 0.000 0.319 55 F C 1.922 177.727 175.800 0.008 0.000 1.155 55 F CA -0.124 57.882 58.000 0.010 0.000 1.157 55 F CB 1.109 40.121 39.000 0.021 0.000 1.252 55 F HN 0.499 nan 8.300 nan 0.000 0.550 56 S N 0.155 115.985 115.700 0.217 0.000 2.374 56 S HA -0.223 4.247 4.470 -0.000 0.000 0.227 56 S C 2.184 176.847 174.600 0.105 0.000 1.037 56 S CA 1.780 60.052 58.200 0.120 0.000 1.024 56 S CB -0.545 62.715 63.200 0.101 0.000 0.861 56 S HN 0.738 nan 8.310 nan 0.000 0.456 57 S N 0.126 115.901 115.700 0.124 0.000 2.507 57 S HA 0.187 4.657 4.470 -0.000 0.000 0.235 57 S C 1.581 176.229 174.600 0.081 0.000 0.988 57 S CA 1.196 59.444 58.200 0.080 0.000 0.944 57 S CB -0.244 62.987 63.200 0.052 0.000 0.762 57 S HN 0.854 nan 8.310 nan 0.000 0.526 58 G N -0.048 108.819 108.800 0.111 0.000 2.213 58 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.226 58 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.226 58 G C -0.140 174.829 174.900 0.116 0.000 0.992 58 G CA -0.043 45.110 45.100 0.088 0.000 0.632 58 G HN 0.452 nan 8.290 nan 0.000 0.511 59 L N 1.459 122.779 121.223 0.161 0.000 2.485 59 L HA 0.409 4.749 4.340 -0.000 0.000 0.275 59 L C 0.888 177.938 176.870 0.301 0.000 1.207 59 L CA 0.192 55.148 54.840 0.193 0.000 0.855 59 L CB 0.483 42.611 42.059 0.115 0.000 1.114 59 L HN 0.095 nan 8.230 nan 0.000 0.485 60 K N 1.669 122.190 120.400 0.202 0.000 2.087 60 K HA 0.778 5.098 4.320 -0.000 0.000 0.255 60 K C -0.014 176.714 176.600 0.214 0.000 0.988 60 K CA -0.443 55.885 56.287 0.067 0.000 0.915 60 K CB 1.524 33.892 32.500 -0.220 0.000 1.043 60 K HN 0.771 nan 8.250 nan 0.000 0.457 61 G N 0.666 109.509 108.800 0.072 0.000 2.742 61 G HA2 0.516 4.475 3.960 -0.000 0.000 0.296 61 G HA3 0.516 4.475 3.960 -0.000 0.000 0.296 61 G C -1.212 173.740 174.900 0.087 0.000 1.436 61 G CA -0.709 44.564 45.100 0.289 0.000 0.928 61 G HN 0.341 nan 8.290 nan 0.000 0.520 62 M N 1.430 121.193 119.600 0.272 0.000 2.268 62 M HA 0.312 4.792 4.480 -0.000 0.000 0.344 62 M C 0.090 176.476 176.300 0.143 0.000 1.106 62 M CA -0.583 54.828 55.300 0.185 0.000 1.010 62 M CB 1.975 34.773 32.600 0.331 0.000 1.649 62 M HN 0.400 nan 8.290 nan 0.000 0.443 63 S N 4.680 120.422 115.700 0.071 0.000 2.700 63 S HA 0.210 4.680 4.470 -0.000 0.000 0.321 63 S C 1.044 175.680 174.600 0.061 0.000 1.161 63 S CA -0.266 57.964 58.200 0.050 0.000 1.078 63 S CB -0.179 63.028 63.200 0.011 0.000 1.302 63 S HN 0.632 nan 8.310 nan 0.000 0.540 64 L N 1.786 123.050 121.223 0.069 0.000 2.463 64 L HA 0.227 4.567 4.340 -0.000 0.000 0.219 64 L C 0.099 176.994 176.870 0.042 0.000 1.088 64 L CA 0.380 55.257 54.840 0.062 0.000 0.849 64 L CB 0.026 42.116 42.059 0.051 0.000 1.012 64 L HN 0.359 nan 8.230 nan 0.000 0.468 65 N N 0.569 119.288 118.700 0.032 0.000 2.483 65 N HA 0.427 5.167 4.740 -0.000 0.000 0.267 65 N C -1.143 174.378 175.510 0.020 0.000 0.998 65 N CA -0.138 52.926 53.050 0.023 0.000 0.918 65 N CB 1.574 40.070 38.487 0.015 0.000 1.215 65 N HN -0.034 nan 8.380 nan 0.000 0.500 66 L N 2.054 123.287 121.223 0.017 0.000 2.262 66 L HA 0.478 4.818 4.340 -0.000 0.000 0.288 66 L C 0.295 177.169 176.870 0.008 0.000 1.035 66 L CA -0.448 54.397 54.840 0.009 0.000 0.820 66 L CB 0.817 42.879 42.059 0.005 0.000 1.204 66 L HN 0.342 nan 8.230 nan 0.000 0.424 67 E N 3.331 123.534 120.200 0.006 0.000 2.281 67 E HA 0.349 4.698 4.350 -0.000 0.000 0.262 67 E C -1.732 174.869 176.600 0.003 0.000 0.933 67 E CA -1.844 54.560 56.400 0.007 0.000 0.809 67 E CB 1.600 31.307 29.700 0.011 0.000 1.242 67 E HN 0.268 nan 8.360 nan 0.000 0.418 68 P HA -0.196 nan 4.420 nan 0.000 0.216 68 P C 0.365 177.667 177.300 0.004 0.000 1.154 68 P CA 1.554 64.656 63.100 0.003 0.000 0.865 68 P CB 0.092 31.796 31.700 0.007 0.000 0.789 69 D N -2.088 118.321 120.400 0.016 0.000 2.571 69 D HA 0.105 4.744 4.640 -0.000 0.000 0.239 69 D C -0.213 176.115 176.300 0.046 0.000 1.267 69 D CA -0.526 53.494 54.000 0.034 0.000 0.823 69 D CB -0.981 39.854 40.800 0.059 0.000 1.056 69 D HN 0.347 nan 8.370 nan 0.000 0.494 70 N N -1.801 116.911 118.700 0.021 0.000 3.322 70 N HA 0.349 5.089 4.740 -0.000 0.000 0.233 70 N C -2.108 173.410 175.510 0.013 0.000 1.399 70 N CA -0.936 52.131 53.050 0.029 0.000 0.894 70 N CB 1.356 39.873 38.487 0.051 0.000 1.440 70 N HN -0.194 nan 8.380 nan 0.000 0.503 71 V N 0.170 120.094 119.914 0.017 0.000 2.448 71 V HA 0.777 4.897 4.120 -0.000 0.000 0.295 71 V C 0.612 176.728 176.094 0.037 0.000 1.025 71 V CA -0.548 61.761 62.300 0.015 0.000 0.859 71 V CB 1.303 33.125 31.823 -0.002 0.000 0.988 71 V HN 0.894 nan 8.190 nan 0.000 0.431 72 G N 3.787 112.609 108.800 0.036 0.000 2.356 72 G HA2 0.507 4.467 3.960 -0.000 0.000 0.300 72 G HA3 0.507 4.467 3.960 -0.000 0.000 0.300 72 G C -0.640 174.300 174.900 0.067 0.000 1.107 72 G CA -0.176 44.953 45.100 0.047 0.000 0.960 72 G HN 0.533 nan 8.290 nan 0.000 0.418 73 V N 3.934 123.913 119.914 0.107 0.000 2.417 73 V HA 0.362 4.482 4.120 -0.000 0.000 0.291 73 V C 0.482 176.691 176.094 0.192 0.000 1.024 73 V CA -0.800 61.594 62.300 0.157 0.000 0.861 73 V CB 1.562 33.505 31.823 0.201 0.000 0.985 73 V HN 0.736 nan 8.190 nan 0.000 0.436 74 V N 3.988 124.018 119.914 0.193 0.000 2.498 74 V HA 0.582 4.702 4.120 -0.000 0.000 0.279 74 V C -0.004 176.271 176.094 0.302 0.000 1.048 74 V CA -0.502 61.902 62.300 0.173 0.000 0.967 74 V CB 1.232 33.111 31.823 0.094 0.000 0.988 74 V HN 0.481 nan 8.190 nan 0.000 0.473 75 V N 5.585 125.620 119.914 0.203 0.000 2.461 75 V HA 0.296 4.416 4.120 -0.000 0.000 0.275 75 V C 0.122 176.345 176.094 0.216 0.000 1.047 75 V CA -0.065 62.374 62.300 0.232 0.000 0.955 75 V CB 0.709 32.538 31.823 0.010 0.000 0.988 75 V HN 0.794 nan 8.190 nan 0.000 0.471 76 F N 4.559 124.560 119.950 0.086 0.000 2.660 76 F HA 0.639 5.165 4.527 -0.000 0.000 0.342 76 F C 1.041 176.867 175.800 0.042 0.000 1.195 76 F CA 0.226 58.271 58.000 0.075 0.000 1.300 76 F CB 0.102 39.160 39.000 0.097 0.000 1.616 76 F HN 0.752 nan 8.300 nan 0.000 0.592 77 G N 0.402 109.265 108.800 0.105 0.000 2.351 77 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.279 77 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.279 77 G C -1.589 173.312 174.900 0.001 0.000 1.297 77 G CA -1.154 43.978 45.100 0.055 0.000 0.886 77 G HN 0.062 nan 8.290 nan 0.000 0.493 78 N N 1.151 119.844 118.700 -0.011 0.000 2.430 78 N HA 0.246 4.986 4.740 -0.000 0.000 0.265 78 N C 0.899 176.372 175.510 -0.063 0.000 1.100 78 N CA 0.300 53.333 53.050 -0.030 0.000 0.961 78 N CB 1.370 39.846 38.487 -0.018 0.000 1.075 78 N HN 0.488 nan 8.380 nan 0.000 0.478 79 D N 2.479 122.836 120.400 -0.072 0.000 2.378 79 D HA -0.162 4.478 4.640 -0.000 0.000 0.222 79 D C 1.400 177.647 176.300 -0.089 0.000 0.980 79 D CA 0.611 54.547 54.000 -0.107 0.000 0.907 79 D CB 0.100 40.843 40.800 -0.095 0.000 0.899 79 D HN 0.501 nan 8.370 nan 0.000 0.527 80 K N 1.412 121.777 120.400 -0.059 0.000 2.281 80 K HA -0.111 4.209 4.320 -0.000 0.000 0.203 80 K C 1.311 177.883 176.600 -0.047 0.000 1.046 80 K CA 0.580 56.841 56.287 -0.043 0.000 0.938 80 K CB -0.333 32.150 32.500 -0.028 0.000 0.737 80 K HN 0.323 nan 8.250 nan 0.000 0.458 81 L N 1.207 122.393 121.223 -0.062 0.000 2.612 81 L HA 0.271 4.611 4.340 -0.000 0.000 0.230 81 L C 0.399 177.222 176.870 -0.079 0.000 1.140 81 L CA -0.048 54.759 54.840 -0.055 0.000 0.896 81 L CB 0.117 42.150 42.059 -0.043 0.000 1.065 81 L HN 0.017 nan 8.230 nan 0.000 0.447 82 I N -0.059 120.442 120.570 -0.116 0.000 2.498 82 I HA 0.324 4.494 4.170 -0.000 0.000 0.290 82 I C -0.463 175.616 176.117 -0.062 0.000 1.032 82 I CA -0.580 60.641 61.300 -0.132 0.000 1.073 82 I CB 1.930 39.730 38.000 -0.334 0.000 1.251 82 I HN -0.022 nan 8.210 nan 0.000 0.426 83 K N 3.834 124.227 120.400 -0.011 0.000 2.433 83 K HA 0.405 4.725 4.320 -0.000 0.000 0.252 83 K C -0.719 175.899 176.600 0.029 0.000 1.015 83 K CA -1.020 55.270 56.287 0.004 0.000 0.860 83 K CB 2.112 34.615 32.500 0.006 0.000 1.359 83 K HN 0.496 nan 8.250 nan 0.000 0.452 84 E N 0.255 120.469 120.200 0.023 0.000 2.529 84 E HA -0.086 4.264 4.350 -0.000 0.000 0.259 84 E C 0.540 177.162 176.600 0.037 0.000 0.966 84 E CA 1.520 57.938 56.400 0.031 0.000 0.937 84 E CB 0.091 29.801 29.700 0.017 0.000 0.923 84 E HN 0.802 nan 8.360 nan 0.000 0.468 85 G N 4.009 112.838 108.800 0.048 0.000 2.176 85 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.253 85 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.253 85 G C -0.109 174.829 174.900 0.063 0.000 0.979 85 G CA 0.193 45.321 45.100 0.047 0.000 0.641 85 G HN 0.630 nan 8.290 nan 0.000 0.530 86 D N 0.846 121.298 120.400 0.088 0.000 2.414 86 D HA 0.361 5.001 4.640 -0.000 0.000 0.242 86 D C 1.217 177.585 176.300 0.114 0.000 1.129 86 D CA -0.135 53.931 54.000 0.110 0.000 0.885 86 D CB 0.587 41.476 40.800 0.148 0.000 1.198 86 D HN 0.111 nan 8.370 nan 0.000 0.437 87 I N 2.045 122.666 120.570 0.085 0.000 2.529 87 I HA 0.102 4.272 4.170 -0.000 0.000 0.284 87 I C 0.362 176.492 176.117 0.022 0.000 1.082 87 I CA -0.296 61.033 61.300 0.048 0.000 1.406 87 I CB 0.635 38.653 38.000 0.030 0.000 1.405 87 I HN -0.014 nan 8.210 nan 0.000 0.548 88 V N 7.167 127.053 119.914 -0.046 0.000 2.604 88 V HA 0.487 4.607 4.120 -0.000 0.000 0.305 88 V C -0.048 175.957 176.094 -0.149 0.000 1.043 88 V CA -0.924 61.264 62.300 -0.186 0.000 0.888 88 V CB 2.232 33.875 31.823 -0.300 0.000 0.995 88 V HN 0.672 nan 8.190 nan 0.000 0.429 89 K N 3.284 123.586 120.400 -0.164 0.000 2.375 89 K HA 0.648 4.967 4.320 -0.000 0.000 0.249 89 K C -0.846 175.683 176.600 -0.120 0.000 0.942 89 K CA -0.997 55.223 56.287 -0.111 0.000 0.806 89 K CB 2.830 35.287 32.500 -0.072 0.000 1.227 89 K HN 0.528 nan 8.250 nan 0.000 0.430 90 R N 0.793 121.239 120.500 -0.090 0.000 2.390 90 R HA 0.102 4.442 4.340 -0.000 0.000 0.291 90 R C 0.624 176.885 176.300 -0.065 0.000 1.070 90 R CA 0.026 56.079 56.100 -0.079 0.000 1.014 90 R CB 0.542 30.804 30.300 -0.063 0.000 1.007 90 R HN 0.792 nan 8.270 nan 0.000 0.466 91 T N -1.786 112.729 114.554 -0.063 0.000 3.091 91 T HA 0.204 4.554 4.350 -0.000 0.000 0.277 91 T C 1.142 175.816 174.700 -0.043 0.000 0.996 91 T CA 0.144 62.214 62.100 -0.050 0.000 0.897 91 T CB 0.763 69.600 68.868 -0.052 0.000 1.109 91 T HN 0.802 nan 8.240 nan 0.000 0.534 92 G N 1.563 110.337 108.800 -0.044 0.000 2.148 92 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.254 92 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.254 92 G C 0.435 175.312 174.900 -0.039 0.000 0.981 92 G CA -0.051 45.027 45.100 -0.037 0.000 0.670 92 G HN 1.264 nan 8.290 nan 0.000 0.528 93 A N -0.141 122.650 122.820 -0.048 0.000 2.507 93 A HA 0.577 4.897 4.320 -0.000 0.000 0.235 93 A C 0.488 178.044 177.584 -0.048 0.000 1.070 93 A CA 0.537 52.543 52.037 -0.052 0.000 0.768 93 A CB 0.282 19.239 19.000 -0.071 0.000 1.011 93 A HN 0.808 nan 8.150 nan 0.000 0.502 94 I N 1.651 122.194 120.570 -0.044 0.000 2.498 94 I HA 0.220 4.390 4.170 -0.000 0.000 0.290 94 I C -0.091 176.002 176.117 -0.040 0.000 1.032 94 I CA -0.543 60.735 61.300 -0.037 0.000 1.073 94 I CB 1.406 39.389 38.000 -0.028 0.000 1.251 94 I HN 0.368 nan 8.210 nan 0.000 0.426 95 V N 7.416 127.307 119.914 -0.038 0.000 2.313 95 V HA 0.298 4.418 4.120 -0.000 0.000 0.252 95 V C -0.659 175.424 176.094 -0.019 0.000 1.112 95 V CA 0.110 62.391 62.300 -0.032 0.000 0.984 95 V CB -0.310 31.498 31.823 -0.024 0.000 1.157 95 V HN 0.883 nan 8.190 nan 0.000 0.493 96 D N 5.181 125.572 120.400 -0.014 0.000 2.559 96 D HA 0.632 5.272 4.640 -0.000 0.000 0.250 96 D C -0.510 175.790 176.300 -0.001 0.000 1.135 96 D CA -0.465 53.531 54.000 -0.007 0.000 0.955 96 D CB 2.132 42.925 40.800 -0.012 0.000 1.442 96 D HN 0.461 nan 8.370 nan 0.000 0.471 97 V N -4.672 115.243 119.914 0.000 0.000 3.001 97 V HA 0.739 4.859 4.120 -0.000 0.000 0.314 97 V C -2.813 173.269 176.094 -0.021 0.000 1.099 97 V CA -2.407 59.892 62.300 -0.000 0.000 0.989 97 V CB 1.586 33.418 31.823 0.015 0.000 1.040 97 V HN 0.515 nan 8.190 nan 0.000 0.434 98 P HA 0.337 nan 4.420 nan 0.000 0.269 98 P C -0.680 176.564 177.300 -0.093 0.000 1.209 98 P CA 0.188 63.253 63.100 -0.058 0.000 0.776 98 P CB 1.291 32.962 31.700 -0.048 0.000 0.876 99 V N 1.149 120.963 119.914 -0.168 0.000 3.147 99 V HA 0.847 4.967 4.120 -0.000 0.000 0.306 99 V C 0.005 175.763 176.094 -0.560 0.000 1.209 99 V CA 0.410 62.533 62.300 -0.295 0.000 1.023 99 V CB 2.013 33.703 31.823 -0.222 0.000 1.059 99 V HN 1.053 nan 8.190 nan 0.000 0.435 100 G N 2.761 110.980 108.800 -0.969 0.000 2.381 100 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.672 100 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.672 100 G C -0.057 174.514 174.900 -0.549 0.000 1.324 100 G CA 0.048 44.414 45.100 -1.223 0.000 0.975 100 G HN 0.742 nan 8.290 nan 0.000 0.593 101 E N -0.116 119.903 120.200 -0.302 0.000 2.401 101 E HA -0.043 4.307 4.350 -0.000 0.000 0.199 101 E C 1.934 178.537 176.600 0.005 0.000 1.023 101 E CA 1.295 57.694 56.400 -0.001 0.000 0.859 101 E CB 0.051 29.791 29.700 0.067 0.000 0.780 101 E HN 0.576 nan 8.360 nan 0.000 0.523 102 E N 0.352 120.514 120.200 -0.063 0.000 2.265 102 E HA -0.142 4.208 4.350 -0.000 0.000 0.196 102 E C 1.573 178.168 176.600 -0.008 0.000 0.996 102 E CA 0.624 57.005 56.400 -0.032 0.000 0.832 102 E CB 0.005 29.670 29.700 -0.059 0.000 0.756 102 E HN 0.272 nan 8.360 nan 0.000 0.491 103 L N 0.151 121.370 121.223 -0.006 0.000 2.341 103 L HA 0.051 4.391 4.340 -0.000 0.000 0.214 103 L C 0.498 177.410 176.870 0.070 0.000 1.115 103 L CA -0.120 54.736 54.840 0.026 0.000 0.820 103 L CB -0.094 41.979 42.059 0.023 0.000 0.944 103 L HN 0.097 nan 8.230 nan 0.000 0.452 104 L N 0.417 121.703 121.223 0.105 0.000 2.525 104 L HA 0.047 4.387 4.340 -0.000 0.000 0.278 104 L C 1.426 178.339 176.870 0.073 0.000 1.218 104 L CA 0.767 55.683 54.840 0.127 0.000 0.878 104 L CB -0.066 42.102 42.059 0.182 0.000 1.127 104 L HN 0.378 nan 8.230 nan 0.000 0.492 105 G N 1.792 110.618 108.800 0.044 0.000 2.162 105 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.260 105 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.260 105 G C 0.287 175.191 174.900 0.008 0.000 0.976 105 G CA -0.203 44.901 45.100 0.007 0.000 0.655 105 G HN 0.503 nan 8.290 nan 0.000 0.533 106 R N -0.745 119.769 120.500 0.022 0.000 2.873 106 R HA 0.742 5.082 4.340 -0.000 0.000 0.264 106 R C -0.408 175.908 176.300 0.027 0.000 1.026 106 R CA -0.812 55.301 56.100 0.020 0.000 1.002 106 R CB 1.699 32.012 30.300 0.022 0.000 1.174 106 R HN 0.230 nan 8.270 nan 0.000 0.488 107 V N 2.045 121.974 119.914 0.025 0.000 2.409 107 V HA 0.423 4.543 4.120 -0.000 0.000 0.291 107 V C 0.123 176.239 176.094 0.036 0.000 1.020 107 V CA -0.780 61.541 62.300 0.035 0.000 0.848 107 V CB 1.522 33.364 31.823 0.031 0.000 0.990 107 V HN 0.603 nan 8.190 nan 0.000 0.430 108 V N 1.222 121.162 119.914 0.044 0.000 3.046 108 V HA 0.827 4.947 4.120 -0.000 0.000 0.316 108 V C -0.412 175.711 176.094 0.048 0.000 1.104 108 V CA -0.849 61.476 62.300 0.042 0.000 1.006 108 V CB 2.136 33.983 31.823 0.039 0.000 1.058 108 V HN 0.800 nan 8.190 nan 0.000 0.440 109 D N 1.814 122.243 120.400 0.049 0.000 2.433 109 D HA 0.460 5.100 4.640 -0.000 0.000 0.255 109 D C 1.271 177.608 176.300 0.062 0.000 1.226 109 D CA 0.011 54.045 54.000 0.056 0.000 1.015 109 D CB 1.155 41.990 40.800 0.060 0.000 1.091 109 D HN 0.874 nan 8.370 nan 0.000 0.527 110 A N -0.470 122.392 122.820 0.070 0.000 2.084 110 A HA -0.112 4.208 4.320 -0.000 0.000 0.221 110 A C 2.013 179.650 177.584 0.088 0.000 1.161 110 A CA 1.238 53.322 52.037 0.078 0.000 0.653 110 A CB -0.783 18.270 19.000 0.088 0.000 0.802 110 A HN 0.541 nan 8.150 nan 0.000 0.457 111 L N -2.204 119.073 121.223 0.090 0.000 2.857 111 L HA 0.369 4.709 4.340 -0.000 0.000 0.249 111 L C 1.466 178.367 176.870 0.051 0.000 1.172 111 L CA 0.404 55.292 54.840 0.081 0.000 0.980 111 L CB 0.229 42.346 42.059 0.097 0.000 1.299 111 L HN 0.501 nan 8.230 nan 0.000 0.535 112 G N -0.431 108.396 108.800 0.044 0.000 2.194 112 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.236 112 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.236 112 G C 0.151 175.066 174.900 0.025 0.000 0.987 112 G CA -0.484 44.632 45.100 0.028 0.000 0.635 112 G HN 0.346 nan 8.290 nan 0.000 0.520 113 N N 1.599 120.318 118.700 0.033 0.000 2.497 113 N HA 0.489 5.229 4.740 -0.000 0.000 0.268 113 N C 0.635 176.162 175.510 0.028 0.000 1.171 113 N CA 0.742 53.809 53.050 0.029 0.000 0.948 113 N CB 1.286 39.795 38.487 0.036 0.000 1.069 113 N HN 0.761 nan 8.380 nan 0.000 0.460 114 A N 2.256 125.089 122.820 0.022 0.000 2.477 114 A HA 0.222 4.542 4.320 -0.000 0.000 0.246 114 A C 1.337 178.935 177.584 0.023 0.000 1.078 114 A CA -0.186 51.864 52.037 0.021 0.000 0.770 114 A CB -0.355 18.654 19.000 0.015 0.000 1.011 114 A HN 0.834 nan 8.150 nan 0.000 0.494 115 I N -0.977 119.608 120.570 0.025 0.000 4.338 115 I HA 0.227 4.397 4.170 -0.000 0.000 0.329 115 I C 0.357 176.486 176.117 0.020 0.000 1.378 115 I CA 0.088 61.403 61.300 0.025 0.000 1.170 115 I CB 0.413 38.432 38.000 0.031 0.000 1.206 115 I HN 0.466 nan 8.210 nan 0.000 0.432 116 D N 1.534 121.945 120.400 0.017 0.000 2.340 116 D HA 0.129 4.769 4.640 -0.000 0.000 0.220 116 D C 1.673 177.979 176.300 0.009 0.000 1.039 116 D CA 0.682 54.690 54.000 0.012 0.000 0.866 116 D CB -0.013 40.793 40.800 0.010 0.000 0.913 116 D HN 0.466 nan 8.370 nan 0.000 0.523 117 G N 0.729 109.536 108.800 0.010 0.000 2.143 117 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.248 117 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.248 117 G C 0.726 175.630 174.900 0.006 0.000 0.991 117 G CA 0.381 45.486 45.100 0.008 0.000 0.689 117 G HN 0.463 nan 8.290 nan 0.000 0.522 118 K N 0.229 120.633 120.400 0.006 0.000 2.397 118 K HA 0.461 4.781 4.320 -0.000 0.000 0.202 118 K C 1.419 178.022 176.600 0.005 0.000 1.022 118 K CA 0.341 56.631 56.287 0.005 0.000 1.141 118 K CB 0.509 33.011 32.500 0.005 0.000 0.857 118 K HN 1.413 nan 8.250 nan 0.000 0.514 119 G N 2.487 111.291 108.800 0.006 0.000 2.698 119 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.225 119 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.225 119 G C -2.748 172.155 174.900 0.005 0.000 1.345 119 G CA -1.257 43.846 45.100 0.005 0.000 0.871 119 G HN 0.014 nan 8.290 nan 0.000 0.540 120 P HA 0.464 nan 4.420 nan 0.000 0.268 120 P C 0.049 177.348 177.300 -0.002 0.000 1.205 120 P CA -0.286 62.814 63.100 0.000 0.000 0.771 120 P CB 0.364 32.063 31.700 -0.002 0.000 0.858 121 I N 2.038 122.605 120.570 -0.005 0.000 2.452 121 I HA 0.158 4.328 4.170 -0.000 0.000 0.287 121 I C 1.622 177.728 176.117 -0.019 0.000 1.079 121 I CA 0.653 61.946 61.300 -0.011 0.000 1.387 121 I CB -0.025 37.966 38.000 -0.016 0.000 1.404 121 I HN 0.415 nan 8.210 nan 0.000 0.522 122 G N 4.638 113.427 108.800 -0.019 0.000 3.455 122 G HA2 0.069 4.028 3.960 -0.000 0.000 0.250 122 G HA3 0.069 4.028 3.960 -0.000 0.000 0.250 122 G C 0.466 175.344 174.900 -0.037 0.000 1.071 122 G CA -0.241 44.846 45.100 -0.022 0.000 1.812 122 G HN 0.576 nan 8.290 nan 0.000 0.643 123 S N 0.095 115.765 115.700 -0.049 0.000 2.531 123 S HA 0.220 4.690 4.470 -0.000 0.000 0.279 123 S C 1.433 175.991 174.600 -0.069 0.000 1.305 123 S CA -0.445 57.709 58.200 -0.078 0.000 1.058 123 S CB 0.744 63.892 63.200 -0.087 0.000 0.899 123 S HN 0.351 nan 8.310 nan 0.000 0.493 124 K N 2.659 123.010 120.400 -0.082 0.000 2.323 124 K HA 0.282 4.602 4.320 -0.000 0.000 0.197 124 K C 0.647 177.211 176.600 -0.059 0.000 1.043 124 K CA 0.438 56.691 56.287 -0.058 0.000 0.997 124 K CB 0.004 32.477 32.500 -0.045 0.000 0.807 124 K HN 0.609 nan 8.250 nan 0.000 0.497 125 A N 1.254 124.018 122.820 -0.093 0.000 2.430 125 A HA 0.766 5.086 4.320 -0.000 0.000 0.300 125 A C -0.695 176.838 177.584 -0.085 0.000 1.124 125 A CA -0.753 51.239 52.037 -0.075 0.000 0.766 125 A CB 1.617 20.579 19.000 -0.063 0.000 1.328 125 A HN 0.063 nan 8.150 nan 0.000 0.424 126 R N -0.437 120.031 120.500 -0.052 0.000 2.855 126 R HA 0.805 5.145 4.340 -0.000 0.000 0.266 126 R C -0.826 175.461 176.300 -0.023 0.000 1.034 126 R CA -0.915 55.159 56.100 -0.043 0.000 0.944 126 R CB 2.492 32.774 30.300 -0.031 0.000 1.219 126 R HN 0.796 nan 8.270 nan 0.000 0.474 127 R N 0.783 121.274 120.500 -0.015 0.000 2.604 127 R HA 0.301 4.641 4.340 -0.000 0.000 0.270 127 R C -1.078 175.223 176.300 0.002 0.000 1.052 127 R CA -0.772 55.328 56.100 0.001 0.000 0.902 127 R CB 1.832 32.141 30.300 0.015 0.000 1.233 127 R HN 0.559 nan 8.270 nan 0.000 0.455 128 R N 1.469 121.969 120.500 -0.000 0.000 2.640 128 R HA -0.028 4.312 4.340 -0.000 0.000 0.270 128 R C 1.473 177.773 176.300 -0.001 0.000 1.024 128 R CA 0.541 56.637 56.100 -0.007 0.000 1.085 128 R CB 0.684 30.976 30.300 -0.013 0.000 0.963 128 R HN 0.583 nan 8.270 nan 0.000 0.426 129 V N 0.617 120.525 119.914 -0.009 0.000 2.788 129 V HA 0.144 4.264 4.120 -0.000 0.000 0.251 129 V C 0.835 176.907 176.094 -0.038 0.000 1.068 129 V CA 1.343 63.646 62.300 0.005 0.000 1.090 129 V CB -0.042 31.789 31.823 0.012 0.000 0.710 129 V HN 0.689 nan 8.190 nan 0.000 0.467 130 G N 1.230 109.977 108.800 -0.087 0.000 2.428 130 G HA2 0.654 4.614 3.960 -0.000 0.000 0.320 130 G HA3 0.654 4.614 3.960 -0.000 0.000 0.320 130 G C -1.062 173.796 174.900 -0.069 0.000 1.098 130 G CA -0.389 44.628 45.100 -0.138 0.000 0.984 130 G HN 0.371 nan 8.290 nan 0.000 0.444 131 L N 0.889 122.084 121.223 -0.046 0.000 2.415 131 L HA 0.509 4.849 4.340 -0.000 0.000 0.256 131 L C -0.059 176.805 176.870 -0.010 0.000 1.010 131 L CA -1.190 53.639 54.840 -0.018 0.000 0.826 131 L CB 2.883 44.943 42.059 0.002 0.000 1.405 131 L HN 0.389 nan 8.230 nan 0.000 0.410 132 K N 1.156 121.555 120.400 -0.002 0.000 2.298 132 K HA 0.577 4.897 4.320 -0.000 0.000 0.280 132 K C -0.183 176.420 176.600 0.005 0.000 1.032 132 K CA -0.192 56.099 56.287 0.006 0.000 0.958 132 K CB 1.328 33.834 32.500 0.010 0.000 0.978 132 K HN 0.631 nan 8.250 nan 0.000 0.472 133 A N 5.158 127.983 122.820 0.008 0.000 2.386 133 A HA 0.316 4.636 4.320 -0.000 0.000 0.248 133 A C -2.170 175.401 177.584 -0.021 0.000 1.082 133 A CA -1.278 50.759 52.037 0.001 0.000 0.789 133 A CB -0.410 18.594 19.000 0.008 0.000 1.025 133 A HN 0.635 nan 8.150 nan 0.000 0.490 134 P HA 0.153 nan 4.420 nan 0.000 0.264 134 P C 0.705 177.957 177.300 -0.081 0.000 1.183 134 P CA 0.655 63.697 63.100 -0.097 0.000 0.763 134 P CB 0.285 31.900 31.700 -0.142 0.000 0.807 135 G N 2.158 110.903 108.800 -0.092 0.000 2.486 135 G HA2 0.080 4.040 3.960 -0.000 0.000 0.272 135 G HA3 0.080 4.040 3.960 -0.000 0.000 0.272 135 G C 1.101 175.961 174.900 -0.067 0.000 1.426 135 G CA -0.540 44.524 45.100 -0.060 0.000 1.058 135 G HN 0.371 nan 8.290 nan 0.000 0.531 136 I N 0.079 120.623 120.570 -0.043 0.000 2.252 136 I HA -0.092 4.078 4.170 -0.000 0.000 0.245 136 I C 2.731 178.821 176.117 -0.045 0.000 1.102 136 I CA 0.923 62.203 61.300 -0.033 0.000 1.385 136 I CB -0.713 37.279 38.000 -0.014 0.000 1.064 136 I HN 0.265 nan 8.210 nan 0.000 0.414 137 I N 1.743 122.284 120.570 -0.049 0.000 2.202 137 I HA -0.121 4.049 4.170 -0.000 0.000 0.242 137 I C -0.421 175.655 176.117 -0.068 0.000 1.091 137 I CA 1.332 62.611 61.300 -0.036 0.000 1.368 137 I CB -2.807 35.191 38.000 -0.003 0.000 1.058 137 I HN 0.180 nan 8.210 nan 0.000 0.410 138 P HA 0.018 nan 4.420 nan 0.000 0.258 138 P C 0.113 177.264 177.300 -0.247 0.000 1.319 138 P CA 0.490 63.350 63.100 -0.401 0.000 0.785 138 P CB -0.074 30.919 31.700 -1.179 0.000 1.252 139 R N -0.311 120.118 120.500 -0.118 0.000 2.787 139 R HA 0.733 5.073 4.340 -0.000 0.000 0.271 139 R C -0.594 175.697 176.300 -0.016 0.000 0.993 139 R CA -1.061 55.000 56.100 -0.065 0.000 0.993 139 R CB 1.589 31.853 30.300 -0.059 0.000 1.155 139 R HN -0.065 nan 8.270 nan 0.000 0.486 140 I N -0.421 120.149 120.570 -0.001 0.000 2.730 140 I HA 0.193 4.363 4.170 -0.000 0.000 0.298 140 I C -0.184 175.939 176.117 0.009 0.000 1.089 140 I CA -0.236 61.071 61.300 0.012 0.000 1.041 140 I CB 2.352 40.367 38.000 0.025 0.000 1.235 140 I HN 0.548 nan 8.210 nan 0.000 0.423 141 S N 3.451 119.156 115.700 0.008 0.000 2.561 141 S HA 0.116 4.586 4.470 -0.000 0.000 0.294 141 S C -0.231 174.372 174.600 0.005 0.000 1.294 141 S CA -0.345 57.858 58.200 0.005 0.000 1.055 141 S CB 0.142 63.345 63.200 0.005 0.000 0.819 141 S HN 0.392 nan 8.310 nan 0.000 0.503 142 V N 6.651 126.566 119.914 0.002 0.000 2.479 142 V HA 0.258 4.378 4.120 -0.000 0.000 0.281 142 V C 1.250 177.339 176.094 -0.009 0.000 1.031 142 V CA 0.456 62.755 62.300 -0.002 0.000 1.038 142 V CB 0.457 32.277 31.823 -0.005 0.000 0.981 142 V HN 0.967 nan 8.190 nan 0.000 0.478 143 R N 2.316 122.806 120.500 -0.016 0.000 2.504 143 R HA 0.284 4.624 4.340 -0.000 0.000 0.341 143 R C -0.256 176.017 176.300 -0.046 0.000 0.905 143 R CA -0.402 55.684 56.100 -0.025 0.000 1.133 143 R CB 0.523 30.814 30.300 -0.015 0.000 1.704 143 R HN 0.615 nan 8.270 nan 0.000 0.503 144 E N 3.558 123.719 120.200 -0.065 0.000 2.156 144 E HA 0.353 4.703 4.350 -0.000 0.000 0.279 144 E C -2.570 173.950 176.600 -0.134 0.000 0.965 144 E CA -2.410 53.920 56.400 -0.116 0.000 0.789 144 E CB 1.659 31.259 29.700 -0.166 0.000 1.098 144 E HN -0.048 nan 8.360 nan 0.000 0.397 145 P HA -0.069 nan 4.420 nan 0.000 0.265 145 P C -0.546 176.642 177.300 -0.186 0.000 1.193 145 P CA 0.167 63.184 63.100 -0.138 0.000 0.765 145 P CB 0.412 32.032 31.700 -0.133 0.000 0.823 146 M N 3.611 123.132 119.600 -0.133 0.000 2.325 146 M HA 0.123 4.603 4.480 -0.000 0.000 0.305 146 M C -0.530 175.726 176.300 -0.074 0.000 1.047 146 M CA -0.525 54.697 55.300 -0.130 0.000 0.981 146 M CB -0.063 32.483 32.600 -0.090 0.000 1.307 146 M HN 0.293 nan 8.290 nan 0.000 0.418 147 Q N 1.812 121.568 119.800 -0.073 0.000 2.255 147 Q HA 0.069 4.409 4.340 -0.000 0.000 0.280 147 Q C 1.332 177.374 176.000 0.070 0.000 1.068 147 Q CA 0.414 56.233 55.803 0.027 0.000 0.911 147 Q CB 0.534 29.343 28.738 0.119 0.000 1.157 147 Q HN 0.717 nan 8.270 nan 0.000 0.380 148 T N -1.161 113.417 114.554 0.041 0.000 3.014 148 T HA 0.121 4.470 4.350 -0.000 0.000 0.263 148 T C 1.266 175.990 174.700 0.039 0.000 1.078 148 T CA 0.666 62.788 62.100 0.036 0.000 1.135 148 T CB 0.137 69.014 68.868 0.015 0.000 0.895 148 T HN 0.813 nan 8.240 nan 0.000 0.480 149 G N 1.368 110.192 108.800 0.041 0.000 2.176 149 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.253 149 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.253 149 G C 0.003 174.908 174.900 0.009 0.000 0.979 149 G CA 0.081 45.195 45.100 0.024 0.000 0.641 149 G HN 0.666 nan 8.290 nan 0.000 0.530 150 I N 0.812 121.387 120.570 0.008 0.000 2.312 150 I HA 0.321 4.491 4.170 -0.000 0.000 0.290 150 I C 1.516 177.637 176.117 0.006 0.000 1.008 150 I CA -0.776 60.524 61.300 0.000 0.000 1.226 150 I CB 1.456 39.453 38.000 -0.005 0.000 1.371 150 I HN -0.028 nan 8.210 nan 0.000 0.468 151 K N 4.349 124.753 120.400 0.006 0.000 2.015 151 K HA -0.245 4.075 4.320 -0.000 0.000 0.216 151 K C 2.130 178.737 176.600 0.012 0.000 1.052 151 K CA 2.151 58.445 56.287 0.011 0.000 0.937 151 K CB -0.220 32.288 32.500 0.012 0.000 0.719 151 K HN 0.812 nan 8.250 nan 0.000 0.446 152 A N 0.511 123.338 122.820 0.010 0.000 1.948 152 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 152 A C 2.335 179.929 177.584 0.016 0.000 1.177 152 A CA 1.907 53.953 52.037 0.015 0.000 0.636 152 A CB -0.653 18.357 19.000 0.017 0.000 0.815 152 A HN 0.117 nan 8.150 nan 0.000 0.449 153 V N 0.052 119.973 119.914 0.012 0.000 2.331 153 V HA -0.138 3.982 4.120 -0.000 0.000 0.242 153 V C 2.021 178.119 176.094 0.008 0.000 1.034 153 V CA 1.902 64.207 62.300 0.009 0.000 1.027 153 V CB -0.802 31.023 31.823 0.003 0.000 0.667 153 V HN 0.434 nan 8.190 nan 0.000 0.457 154 D N 0.558 120.963 120.400 0.009 0.000 2.263 154 D HA -0.117 4.523 4.640 -0.000 0.000 0.208 154 D C 2.345 178.651 176.300 0.010 0.000 0.971 154 D CA 1.734 55.740 54.000 0.009 0.000 0.867 154 D CB -0.028 40.781 40.800 0.015 0.000 0.929 154 D HN 0.608 nan 8.370 nan 0.000 0.492 155 S N -0.948 114.760 115.700 0.013 0.000 2.460 155 S HA 0.095 4.565 4.470 -0.000 0.000 0.226 155 S C 1.807 176.416 174.600 0.015 0.000 1.057 155 S CA -0.040 58.169 58.200 0.015 0.000 0.948 155 S CB -0.069 63.142 63.200 0.018 0.000 0.822 155 S HN 0.175 nan 8.310 nan 0.000 0.512 156 L N 1.186 122.420 121.223 0.017 0.000 2.638 156 L HA 0.421 4.761 4.340 -0.000 0.000 0.232 156 L C -0.349 176.535 176.870 0.023 0.000 1.099 156 L CA 0.027 54.880 54.840 0.022 0.000 0.883 156 L CB 1.195 43.270 42.059 0.027 0.000 1.136 156 L HN 0.199 nan 8.230 nan 0.000 0.492 157 V N -0.021 119.904 119.914 0.018 0.000 2.575 157 V HA 0.229 4.349 4.120 -0.000 0.000 0.281 157 V C -2.503 173.592 176.094 0.002 0.000 1.087 157 V CA -1.187 61.121 62.300 0.014 0.000 1.193 157 V CB 0.230 32.062 31.823 0.015 0.000 1.426 157 V HN -0.021 nan 8.190 nan 0.000 0.623 158 P HA 0.212 nan 4.420 nan 0.000 0.267 158 P C -0.599 176.693 177.300 -0.014 0.000 1.205 158 P CA 0.350 63.446 63.100 -0.007 0.000 0.765 158 P CB 1.238 32.934 31.700 -0.007 0.000 0.828 159 I N 2.351 122.909 120.570 -0.021 0.000 2.412 159 I HA 0.513 4.683 4.170 -0.000 0.000 0.296 159 I C 1.107 177.201 176.117 -0.039 0.000 0.987 159 I CA -0.732 60.551 61.300 -0.028 0.000 1.180 159 I CB 0.945 38.928 38.000 -0.029 0.000 1.340 159 I HN 0.357 nan 8.210 nan 0.000 0.455 160 G N 4.920 113.698 108.800 -0.037 0.000 2.454 160 G HA2 0.526 4.486 3.960 -0.000 0.000 0.329 160 G HA3 0.526 4.486 3.960 -0.000 0.000 0.329 160 G C -0.398 174.475 174.900 -0.045 0.000 1.177 160 G CA -0.934 44.137 45.100 -0.048 0.000 0.951 160 G HN 0.501 nan 8.290 nan 0.000 0.485 161 R N 0.255 120.718 120.500 -0.062 0.000 2.404 161 R HA 0.367 4.707 4.340 -0.000 0.000 0.315 161 R C 1.121 177.430 176.300 0.014 0.000 1.032 161 R CA 1.052 57.130 56.100 -0.035 0.000 0.992 161 R CB 0.510 30.758 30.300 -0.087 0.000 0.959 161 R HN 1.131 nan 8.270 nan 0.000 0.428 162 G N 1.961 110.775 108.800 0.024 0.000 2.211 162 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.201 162 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.201 162 G C 0.175 175.081 174.900 0.010 0.000 0.997 162 G CA -0.173 44.943 45.100 0.028 0.000 0.652 162 G HN 0.578 nan 8.290 nan 0.000 0.500 163 Q N 0.134 119.934 119.800 -0.001 0.000 2.368 163 Q HA 0.663 5.003 4.340 -0.000 0.000 0.237 163 Q C -0.173 175.822 176.000 -0.008 0.000 0.987 163 Q CA -0.368 55.431 55.803 -0.007 0.000 0.896 163 Q CB 0.391 29.120 28.738 -0.015 0.000 1.241 163 Q HN 0.255 nan 8.270 nan 0.000 0.485 164 R N 2.200 122.693 120.500 -0.012 0.000 2.310 164 R HA 0.296 4.636 4.340 -0.000 0.000 0.316 164 R C -1.465 174.815 176.300 -0.033 0.000 1.004 164 R CA -0.510 55.580 56.100 -0.017 0.000 0.900 164 R CB 1.424 31.715 30.300 -0.014 0.000 1.152 164 R HN 0.465 nan 8.270 nan 0.000 0.513 165 E N 2.469 122.644 120.200 -0.042 0.000 2.158 165 E HA 0.357 4.707 4.350 -0.000 0.000 0.271 165 E C -1.351 175.201 176.600 -0.081 0.000 0.911 165 E CA -0.929 55.435 56.400 -0.060 0.000 0.767 165 E CB 1.045 30.714 29.700 -0.052 0.000 1.120 165 E HN 0.361 nan 8.360 nan 0.000 0.405 166 L N 5.173 126.324 121.223 -0.119 0.000 2.334 166 L HA 0.451 4.791 4.340 -0.000 0.000 0.277 166 L C -1.022 175.747 176.870 -0.170 0.000 1.075 166 L CA -0.385 54.367 54.840 -0.146 0.000 0.804 166 L CB 0.797 42.746 42.059 -0.184 0.000 1.174 166 L HN 0.544 nan 8.230 nan 0.000 0.438 167 I N 6.868 127.359 120.570 -0.131 0.000 2.307 167 I HA 0.343 4.513 4.170 -0.000 0.000 0.289 167 I C -0.265 175.779 176.117 -0.122 0.000 1.021 167 I CA -0.182 61.050 61.300 -0.114 0.000 1.224 167 I CB 0.650 38.615 38.000 -0.059 0.000 1.376 167 I HN 0.511 nan 8.210 nan 0.000 0.470 168 I N 5.121 125.598 120.570 -0.156 0.000 2.647 168 I HA 0.871 5.041 4.170 -0.000 0.000 0.295 168 I C -0.367 175.745 176.117 -0.008 0.000 1.078 168 I CA -0.041 61.196 61.300 -0.106 0.000 1.048 168 I CB 2.084 39.971 38.000 -0.189 0.000 1.239 168 I HN 0.683 nan 8.210 nan 0.000 0.421 169 G N 5.815 114.633 108.800 0.029 0.000 2.328 169 G HA2 0.224 4.184 3.960 -0.000 0.000 0.295 169 G HA3 0.224 4.184 3.960 -0.000 0.000 0.295 169 G C -1.706 173.216 174.900 0.035 0.000 1.413 169 G CA -0.710 44.426 45.100 0.060 0.000 0.817 169 G HN 0.499 nan 8.290 nan 0.000 0.546 170 D N 0.227 120.647 120.400 0.033 0.000 2.369 170 D HA 0.350 4.989 4.640 -0.000 0.000 0.241 170 D C 1.266 177.560 176.300 -0.010 0.000 1.271 170 D CA -0.085 53.926 54.000 0.018 0.000 0.942 170 D CB 0.485 41.299 40.800 0.023 0.000 1.129 170 D HN 0.677 nan 8.370 nan 0.000 0.476 171 R N 0.204 120.700 120.500 -0.007 0.000 2.638 171 R HA -0.015 4.325 4.340 -0.000 0.000 0.268 171 R C -0.088 176.173 176.300 -0.066 0.000 1.006 171 R CA 0.033 56.121 56.100 -0.021 0.000 1.088 171 R CB -0.244 30.054 30.300 -0.004 0.000 0.950 171 R HN 0.404 nan 8.270 nan 0.000 0.419 172 Q N -0.602 119.145 119.800 -0.087 0.000 2.481 172 Q HA -0.206 4.134 4.340 -0.000 0.000 0.272 172 Q C 0.162 175.951 176.000 -0.351 0.000 1.157 172 Q CA 1.336 57.036 55.803 -0.172 0.000 0.935 172 Q CB -1.971 26.684 28.738 -0.139 0.000 1.338 172 Q HN 0.993 nan 8.270 nan 0.000 0.494 173 T N -4.356 110.048 114.554 -0.251 0.000 3.086 173 T HA 0.444 4.793 4.350 -0.000 0.000 0.250 173 T C 1.237 175.856 174.700 -0.136 0.000 1.074 173 T CA 0.584 62.511 62.100 -0.288 0.000 0.988 173 T CB 1.039 69.841 68.868 -0.110 0.000 0.988 173 T HN 0.979 nan 8.240 nan 0.000 0.530 174 G N 1.577 110.325 108.800 -0.088 0.000 2.138 174 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.193 174 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.193 174 G C 0.724 175.628 174.900 0.007 0.000 0.998 174 G CA 0.156 45.262 45.100 0.009 0.000 0.668 174 G HN 0.491 nan 8.290 nan 0.000 0.516 175 K N -0.252 120.147 120.400 -0.003 0.000 2.002 175 K HA -0.063 4.257 4.320 -0.000 0.000 0.209 175 K C 2.549 179.164 176.600 0.024 0.000 1.048 175 K CA 1.876 58.166 56.287 0.006 0.000 0.930 175 K CB -0.364 32.136 32.500 0.000 0.000 0.714 175 K HN 0.302 nan 8.250 nan 0.000 0.438 176 T N 1.192 115.770 114.554 0.039 0.000 2.746 176 T HA -0.113 4.236 4.350 -0.000 0.000 0.267 176 T C 2.101 176.821 174.700 0.033 0.000 1.039 176 T CA 1.562 63.706 62.100 0.073 0.000 1.142 176 T CB -0.218 68.703 68.868 0.089 0.000 0.866 176 T HN 0.161 nan 8.240 nan 0.000 0.444 177 S N 1.254 116.954 115.700 0.000 0.000 2.383 177 S HA -0.078 4.392 4.470 -0.000 0.000 0.229 177 S C 2.006 176.579 174.600 -0.046 0.000 1.030 177 S CA 0.764 58.933 58.200 -0.051 0.000 1.002 177 S CB -0.389 62.758 63.200 -0.089 0.000 0.829 177 S HN 0.336 nan 8.310 nan 0.000 0.467 178 I N 1.951 122.511 120.570 -0.017 0.000 2.163 178 I HA -0.190 3.980 4.170 -0.000 0.000 0.243 178 I C 2.711 178.831 176.117 0.004 0.000 1.085 178 I CA 1.395 62.689 61.300 -0.011 0.000 1.347 178 I CB -1.763 36.235 38.000 -0.003 0.000 1.044 178 I HN 0.261 nan 8.210 nan 0.000 0.408 179 A N 1.065 123.901 122.820 0.027 0.000 1.873 179 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 179 A C 2.190 179.797 177.584 0.039 0.000 1.186 179 A CA 1.208 53.279 52.037 0.057 0.000 0.616 179 A CB -0.529 18.552 19.000 0.134 0.000 0.823 179 A HN 0.271 nan 8.150 nan 0.000 0.442 180 I N 0.722 121.295 120.570 0.006 0.000 2.226 180 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 180 I C 1.670 177.804 176.117 0.028 0.000 1.100 180 I CA 1.471 62.766 61.300 -0.009 0.000 1.374 180 I CB -1.664 36.336 38.000 -0.001 0.000 1.057 180 I HN 0.251 nan 8.210 nan 0.000 0.413 181 D N 0.572 120.977 120.400 0.008 0.000 2.178 181 D HA -0.121 4.519 4.640 -0.000 0.000 0.201 181 D C 2.194 178.510 176.300 0.028 0.000 0.980 181 D CA 1.348 55.355 54.000 0.011 0.000 0.842 181 D CB -0.190 40.586 40.800 -0.039 0.000 0.948 181 D HN 0.274 nan 8.370 nan 0.000 0.472 182 T N 1.044 115.615 114.554 0.029 0.000 2.777 182 T HA -0.080 4.270 4.350 -0.000 0.000 0.266 182 T C 1.912 176.653 174.700 0.068 0.000 1.040 182 T CA 0.395 62.520 62.100 0.042 0.000 1.141 182 T CB 0.071 68.958 68.868 0.033 0.000 0.868 182 T HN 0.069 nan 8.240 nan 0.000 0.444 183 I N 1.263 121.879 120.570 0.077 0.000 2.179 183 I HA -0.053 4.117 4.170 -0.000 0.000 0.242 183 I C 2.340 178.563 176.117 0.177 0.000 1.088 183 I CA 1.027 62.404 61.300 0.128 0.000 1.357 183 I CB -1.218 36.831 38.000 0.081 0.000 1.051 183 I HN 0.278 nan 8.210 nan 0.000 0.409 184 I N 0.876 121.511 120.570 0.108 0.000 2.361 184 I HA -0.314 3.856 4.170 -0.000 0.000 0.251 184 I C 2.203 178.369 176.117 0.081 0.000 1.133 184 I CA 1.372 62.734 61.300 0.104 0.000 1.413 184 I CB -0.533 37.513 38.000 0.078 0.000 1.073 184 I HN 0.287 nan 8.210 nan 0.000 0.424 185 N N 0.617 119.344 118.700 0.045 0.000 2.289 185 N HA -0.198 4.542 4.740 -0.000 0.000 0.184 185 N C 1.819 177.268 175.510 -0.102 0.000 1.016 185 N CA 1.074 54.109 53.050 -0.024 0.000 0.872 185 N CB 0.079 38.577 38.487 0.018 0.000 0.973 185 N HN 0.215 nan 8.380 nan 0.000 0.433 186 Q N 0.417 120.207 119.800 -0.017 0.000 2.291 186 Q HA -0.098 4.242 4.340 -0.000 0.000 0.205 186 Q C 1.656 177.453 176.000 -0.339 0.000 0.970 186 Q CA 0.623 56.374 55.803 -0.087 0.000 0.876 186 Q CB -0.266 28.387 28.738 -0.143 0.000 0.935 186 Q HN 0.524 nan 8.270 nan 0.000 0.455 187 K N 1.270 121.533 120.400 -0.229 0.000 2.160 187 K HA -0.190 4.130 4.320 -0.000 0.000 0.206 187 K C 1.999 178.440 176.600 -0.264 0.000 1.047 187 K CA 1.149 57.339 56.287 -0.163 0.000 0.930 187 K CB -0.017 32.522 32.500 0.065 0.000 0.720 187 K HN 0.036 nan 8.250 nan 0.000 0.450 188 R N -0.416 119.824 120.500 -0.433 0.000 2.152 188 R HA -0.130 4.209 4.340 -0.000 0.000 0.232 188 R C 1.474 177.451 176.300 -0.538 0.000 1.117 188 R CA 1.426 57.209 56.100 -0.529 0.000 0.981 188 R CB -0.048 29.817 30.300 -0.724 0.000 0.870 188 R HN 0.179 nan 8.270 nan 0.000 0.451 189 F N -0.253 119.597 119.950 -0.166 0.000 2.437 189 F HA 0.168 4.695 4.527 -0.000 0.000 0.288 189 F C 1.867 177.543 175.800 -0.206 0.000 1.085 189 F CA 0.016 57.911 58.000 -0.175 0.000 1.430 189 F CB -0.568 38.316 39.000 -0.194 0.000 1.120 189 F HN -0.068 nan 8.300 nan 0.000 0.556 190 N N 0.362 118.964 118.700 -0.163 0.000 2.381 190 N HA -0.125 4.614 4.740 -0.000 0.000 0.182 190 N C 0.727 176.170 175.510 -0.111 0.000 1.025 190 N CA 1.175 54.083 53.050 -0.237 0.000 0.888 190 N CB -0.371 37.803 38.487 -0.522 0.000 0.965 190 N HN 0.261 nan 8.380 nan 0.000 0.438 191 D N -0.469 119.876 120.400 -0.092 0.000 2.349 191 D HA 0.120 4.760 4.640 -0.000 0.000 0.214 191 D C 1.199 177.479 176.300 -0.034 0.000 1.063 191 D CA 0.111 54.084 54.000 -0.045 0.000 0.847 191 D CB 0.113 40.886 40.800 -0.046 0.000 0.933 191 D HN 0.125 nan 8.370 nan 0.000 0.513 192 G N -0.041 108.740 108.800 -0.031 0.000 2.508 192 G HA2 0.290 4.250 3.960 -0.000 0.000 0.278 192 G HA3 0.290 4.250 3.960 -0.000 0.000 0.278 192 G C 1.088 175.991 174.900 0.005 0.000 1.389 192 G CA 0.375 45.471 45.100 -0.008 0.000 1.050 192 G HN 0.146 nan 8.290 nan 0.000 0.522 193 T N -3.233 111.328 114.554 0.012 0.000 3.000 193 T HA 0.075 4.425 4.350 -0.000 0.000 0.248 193 T C 0.702 175.413 174.700 0.018 0.000 1.034 193 T CA 0.527 62.636 62.100 0.014 0.000 1.060 193 T CB 0.151 69.026 68.868 0.011 0.000 0.983 193 T HN 0.341 nan 8.240 nan 0.000 0.482 194 D N 2.604 123.015 120.400 0.018 0.000 2.398 194 D HA 0.076 4.716 4.640 -0.000 0.000 0.250 194 D C 1.113 177.420 176.300 0.012 0.000 1.287 194 D CA -0.031 53.977 54.000 0.013 0.000 0.992 194 D CB 0.264 41.068 40.800 0.007 0.000 1.071 194 D HN 0.342 nan 8.370 nan 0.000 0.514 195 E N 2.293 122.508 120.200 0.024 0.000 2.331 195 E HA -0.193 4.157 4.350 -0.000 0.000 0.199 195 E C 1.321 177.948 176.600 0.045 0.000 1.008 195 E CA 0.744 57.168 56.400 0.040 0.000 0.843 195 E CB 0.264 30.002 29.700 0.064 0.000 0.761 195 E HN 0.584 nan 8.360 nan 0.000 0.507 196 K N 0.708 121.123 120.400 0.026 0.000 2.148 196 K HA -0.094 4.226 4.320 -0.000 0.000 0.204 196 K C 1.801 178.356 176.600 -0.075 0.000 1.050 196 K CA 0.847 57.150 56.287 0.026 0.000 0.942 196 K CB 0.002 32.502 32.500 0.001 0.000 0.724 196 K HN -0.029 nan 8.250 nan 0.000 0.446 197 K N 1.201 121.524 120.400 -0.129 0.000 2.444 197 K HA 0.053 4.373 4.320 -0.000 0.000 0.193 197 K C 0.048 176.494 176.600 -0.258 0.000 1.024 197 K CA 0.153 56.266 56.287 -0.289 0.000 1.077 197 K CB 0.255 32.562 32.500 -0.323 0.000 0.833 197 K HN 0.101 nan 8.250 nan 0.000 0.517 198 K N 1.341 121.664 120.400 -0.127 0.000 2.414 198 K HA 0.090 4.410 4.320 -0.000 0.000 0.272 198 K C -0.540 175.907 176.600 -0.255 0.000 0.993 198 K CA 0.007 56.180 56.287 -0.191 0.000 0.964 198 K CB 0.481 32.881 32.500 -0.167 0.000 0.925 198 K HN -0.129 nan 8.250 nan 0.000 0.487 199 L N 3.565 124.527 121.223 -0.435 0.000 2.541 199 L HA 0.275 4.615 4.340 -0.000 0.000 0.266 199 L C -1.712 174.852 176.870 -0.509 0.000 0.966 199 L CA -0.385 54.250 54.840 -0.342 0.000 0.871 199 L CB 0.884 42.821 42.059 -0.204 0.000 1.232 199 L HN 0.440 nan 8.230 nan 0.000 0.408 200 Y N 3.177 123.341 120.300 -0.226 0.000 2.309 200 Y HA 0.516 5.066 4.550 -0.000 0.000 0.327 200 Y C 0.496 176.309 175.900 -0.146 0.000 1.172 200 Y CA -0.080 57.851 58.100 -0.283 0.000 1.280 200 Y CB 1.027 38.989 38.460 -0.830 0.000 1.234 200 Y HN 0.528 nan 8.280 nan 0.000 0.512 201 C N 4.468 123.849 119.300 0.136 0.000 2.456 201 C HA 0.681 5.141 4.460 -0.000 0.000 0.325 201 C C -0.173 174.886 174.990 0.114 0.000 1.217 201 C CA -1.147 57.944 59.018 0.122 0.000 1.687 201 C CB 0.248 28.099 27.740 0.184 0.000 2.270 201 C HN 0.631 nan 8.230 nan 0.000 0.499 202 I N 2.495 123.113 120.570 0.081 0.000 2.468 202 I HA 0.238 4.408 4.170 -0.000 0.000 0.285 202 I C -1.241 174.909 176.117 0.054 0.000 1.039 202 I CA -0.426 60.919 61.300 0.075 0.000 1.074 202 I CB 1.162 39.194 38.000 0.054 0.000 1.228 202 I HN 0.649 nan 8.210 nan 0.000 0.436 203 Y N 7.234 127.517 120.300 -0.029 0.000 2.342 203 Y HA 0.524 5.073 4.550 -0.000 0.000 0.338 203 Y C -0.725 175.160 175.900 -0.024 0.000 0.965 203 Y CA -0.622 57.453 58.100 -0.043 0.000 1.159 203 Y CB 1.248 39.695 38.460 -0.022 0.000 1.157 203 Y HN 0.259 nan 8.280 nan 0.000 0.486 204 V N 6.727 126.348 119.914 -0.489 0.000 2.350 204 V HA 0.627 4.747 4.120 -0.000 0.000 0.276 204 V C 0.142 175.975 176.094 -0.435 0.000 1.028 204 V CA -0.625 61.496 62.300 -0.299 0.000 0.860 204 V CB 0.616 32.379 31.823 -0.100 0.000 0.990 204 V HN 0.926 nan 8.190 nan 0.000 0.453 205 A N 6.626 129.323 122.820 -0.206 0.000 2.301 205 A HA 0.871 5.191 4.320 -0.000 0.000 0.298 205 A C -0.575 176.988 177.584 -0.035 0.000 1.185 205 A CA -0.344 51.634 52.037 -0.098 0.000 0.830 205 A CB 0.269 19.323 19.000 0.091 0.000 1.112 205 A HN 0.790 nan 8.150 nan 0.000 0.508 206 I N 2.005 122.560 120.570 -0.025 0.000 2.476 206 I HA 0.508 4.678 4.170 -0.000 0.000 0.281 206 I C 0.973 177.103 176.117 0.022 0.000 1.040 206 I CA 0.356 61.657 61.300 0.002 0.000 1.094 206 I CB 1.819 39.813 38.000 -0.009 0.000 1.219 206 I HN 1.038 nan 8.210 nan 0.000 0.450 207 G N 3.659 112.478 108.800 0.032 0.000 2.162 207 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.260 207 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.260 207 G C 0.258 175.181 174.900 0.038 0.000 0.976 207 G CA -0.136 44.985 45.100 0.036 0.000 0.655 207 G HN 0.571 nan 8.290 nan 0.000 0.533 208 Q N 0.120 119.946 119.800 0.044 0.000 2.396 208 Q HA 0.486 4.826 4.340 -0.000 0.000 0.221 208 Q C 0.738 176.766 176.000 0.046 0.000 1.025 208 Q CA 0.019 55.852 55.803 0.051 0.000 0.946 208 Q CB 0.551 29.333 28.738 0.073 0.000 1.224 208 Q HN 0.627 nan 8.270 nan 0.000 0.539 209 K N -0.104 120.322 120.400 0.044 0.000 2.118 209 K HA 0.278 4.598 4.320 -0.000 0.000 0.264 209 K C 0.380 177.004 176.600 0.039 0.000 1.000 209 K CA -0.578 55.731 56.287 0.037 0.000 0.929 209 K CB 1.215 33.734 32.500 0.031 0.000 1.021 209 K HN 0.387 nan 8.250 nan 0.000 0.463 210 R N 0.597 121.117 120.500 0.034 0.000 2.091 210 R HA -0.168 4.172 4.340 -0.000 0.000 0.238 210 R C 2.232 178.549 176.300 0.029 0.000 1.136 210 R CA 2.232 58.352 56.100 0.033 0.000 0.959 210 R CB -0.389 29.927 30.300 0.027 0.000 0.856 210 R HN 0.940 nan 8.270 nan 0.000 0.437 211 S N -0.385 115.329 115.700 0.024 0.000 2.382 211 S HA -0.116 4.354 4.470 -0.000 0.000 0.228 211 S C 1.925 176.537 174.600 0.021 0.000 1.027 211 S CA 1.628 59.840 58.200 0.020 0.000 0.991 211 S CB -0.439 62.771 63.200 0.017 0.000 0.823 211 S HN 0.199 nan 8.310 nan 0.000 0.469 212 T N 2.302 116.874 114.554 0.029 0.000 2.746 212 T HA -0.002 4.348 4.350 -0.000 0.000 0.267 212 T C 1.869 176.589 174.700 0.034 0.000 1.039 212 T CA 1.393 63.514 62.100 0.034 0.000 1.142 212 T CB -0.508 68.387 68.868 0.045 0.000 0.866 212 T HN 0.300 nan 8.240 nan 0.000 0.444 213 V N 1.506 121.448 119.914 0.046 0.000 2.515 213 V HA -0.080 4.040 4.120 -0.000 0.000 0.250 213 V C 2.799 178.904 176.094 0.018 0.000 1.058 213 V CA 1.463 63.795 62.300 0.052 0.000 1.064 213 V CB -1.041 30.830 31.823 0.080 0.000 0.675 213 V HN 0.505 nan 8.190 nan 0.000 0.461 214 A N -0.994 121.834 122.820 0.013 0.000 1.968 214 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 214 A C 2.203 179.777 177.584 -0.017 0.000 1.169 214 A CA 1.117 53.154 52.037 -0.001 0.000 0.638 214 A CB -0.322 18.680 19.000 0.002 0.000 0.812 214 A HN 0.496 nan 8.150 nan 0.000 0.446 215 Q N -0.464 119.329 119.800 -0.012 0.000 2.084 215 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 215 Q C 2.153 178.126 176.000 -0.044 0.000 0.978 215 Q CA 1.101 56.890 55.803 -0.023 0.000 0.844 215 Q CB -0.592 28.142 28.738 -0.006 0.000 0.898 215 Q HN 0.633 nan 8.270 nan 0.000 0.426 216 L N 1.336 122.531 121.223 -0.046 0.000 1.989 216 L HA -0.161 4.179 4.340 -0.000 0.000 0.211 216 L C 2.457 179.258 176.870 -0.115 0.000 1.071 216 L CA 2.223 57.005 54.840 -0.096 0.000 0.749 216 L CB -1.018 40.964 42.059 -0.128 0.000 0.890 216 L HN 0.209 nan 8.230 nan 0.000 0.431 217 V N -1.394 118.470 119.914 -0.084 0.000 2.407 217 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 217 V C 2.674 178.718 176.094 -0.083 0.000 1.055 217 V CA 2.009 64.261 62.300 -0.081 0.000 1.049 217 V CB -0.931 30.865 31.823 -0.047 0.000 0.662 217 V HN 0.424 nan 8.190 nan 0.000 0.455 218 K N 1.085 121.441 120.400 -0.073 0.000 2.032 218 K HA -0.222 4.098 4.320 -0.000 0.000 0.209 218 K C 2.311 178.847 176.600 -0.107 0.000 1.048 218 K CA 2.192 58.433 56.287 -0.078 0.000 0.927 218 K CB -0.545 31.915 32.500 -0.067 0.000 0.712 218 K HN 0.442 nan 8.250 nan 0.000 0.441 219 R N 0.457 120.882 120.500 -0.126 0.000 2.082 219 R HA -0.020 4.320 4.340 -0.000 0.000 0.234 219 R C 2.216 178.427 176.300 -0.148 0.000 1.136 219 R CA 1.973 57.969 56.100 -0.173 0.000 0.935 219 R CB -0.792 29.414 30.300 -0.157 0.000 0.842 219 R HN 0.322 nan 8.270 nan 0.000 0.430 220 L N -0.512 120.633 121.223 -0.130 0.000 2.079 220 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 220 L C 2.211 178.998 176.870 -0.139 0.000 1.081 220 L CA 1.885 56.643 54.840 -0.137 0.000 0.752 220 L CB -0.667 41.297 42.059 -0.157 0.000 0.896 220 L HN 0.336 nan 8.230 nan 0.000 0.433 221 T N -1.108 113.374 114.554 -0.119 0.000 2.737 221 T HA -0.162 4.188 4.350 -0.000 0.000 0.265 221 T C 1.409 176.052 174.700 -0.094 0.000 1.038 221 T CA 1.442 63.481 62.100 -0.101 0.000 1.144 221 T CB -0.217 68.604 68.868 -0.079 0.000 0.866 221 T HN 0.288 nan 8.240 nan 0.000 0.434 222 D N 1.308 121.647 120.400 -0.101 0.000 2.264 222 D HA 0.071 4.710 4.640 -0.000 0.000 0.208 222 D C 1.916 178.161 176.300 -0.092 0.000 0.966 222 D CA 0.674 54.616 54.000 -0.096 0.000 0.864 222 D CB -0.230 40.500 40.800 -0.116 0.000 0.933 222 D HN 0.423 nan 8.370 nan 0.000 0.499 223 A N 0.159 122.920 122.820 -0.098 0.000 2.275 223 A HA 0.047 4.367 4.320 -0.000 0.000 0.212 223 A C 0.601 178.150 177.584 -0.058 0.000 1.201 223 A CA 0.479 52.473 52.037 -0.071 0.000 0.843 223 A CB 0.119 19.084 19.000 -0.058 0.000 0.873 223 A HN 0.035 nan 8.150 nan 0.000 0.492 224 D N -2.973 117.380 120.400 -0.079 0.000 2.907 224 D HA -0.203 4.437 4.640 -0.000 0.000 0.226 224 D C 0.763 176.982 176.300 -0.135 0.000 1.141 224 D CA 1.106 55.060 54.000 -0.076 0.000 0.779 224 D CB -1.336 39.447 40.800 -0.028 0.000 1.095 224 D HN 0.515 nan 8.370 nan 0.000 0.430 225 A N -0.786 121.889 122.820 -0.241 0.000 2.169 225 A HA 0.130 4.450 4.320 -0.000 0.000 0.210 225 A C 2.102 179.223 177.584 -0.772 0.000 1.168 225 A CA 0.615 52.295 52.037 -0.594 0.000 0.813 225 A CB -0.077 18.719 19.000 -0.339 0.000 0.861 225 A HN 0.276 nan 8.150 nan 0.000 0.481 226 M N 1.295 120.666 119.600 -0.382 0.000 2.149 226 M HA -0.192 4.288 4.480 -0.000 0.000 0.261 226 M C 2.137 178.288 176.300 -0.249 0.000 1.064 226 M CA 2.039 57.177 55.300 -0.270 0.000 1.102 226 M CB -0.950 31.564 32.600 -0.144 0.000 1.369 226 M HN 0.711 nan 8.290 nan 0.000 0.408 227 K N 0.296 120.566 120.400 -0.217 0.000 2.286 227 K HA -0.201 4.119 4.320 -0.000 0.000 0.203 227 K C 0.900 177.532 176.600 0.054 0.000 1.045 227 K CA 1.807 58.062 56.287 -0.053 0.000 0.935 227 K CB -0.676 31.835 32.500 0.018 0.000 0.737 227 K HN 0.540 nan 8.250 nan 0.000 0.460 228 Y N -0.514 119.821 120.300 0.058 0.000 2.682 228 Y HA 0.472 5.022 4.550 -0.000 0.000 0.251 228 Y C -0.529 175.424 175.900 0.088 0.000 1.172 228 Y CA -1.093 57.067 58.100 0.100 0.000 1.186 228 Y CB 0.091 38.551 38.460 0.000 0.000 1.216 228 Y HN -0.202 nan 8.280 nan 0.000 0.540 229 T N 2.454 116.997 114.554 -0.018 0.000 2.887 229 T HA 0.626 4.976 4.350 -0.000 0.000 0.288 229 T C -0.604 174.130 174.700 0.057 0.000 1.021 229 T CA -0.468 61.647 62.100 0.025 0.000 1.000 229 T CB 2.064 70.874 68.868 -0.097 0.000 1.034 229 T HN 0.145 nan 8.240 nan 0.000 0.467 230 I N 2.207 122.836 120.570 0.098 0.000 2.362 230 I HA 0.427 4.596 4.170 -0.000 0.000 0.289 230 I C -0.614 175.564 176.117 0.101 0.000 0.994 230 I CA -1.061 60.298 61.300 0.099 0.000 1.158 230 I CB 1.780 39.856 38.000 0.127 0.000 1.315 230 I HN 0.240 nan 8.210 nan 0.000 0.451 231 V N 7.428 127.396 119.914 0.089 0.000 2.333 231 V HA 0.286 4.406 4.120 -0.000 0.000 0.274 231 V C 0.043 176.196 176.094 0.099 0.000 1.028 231 V CA -0.600 61.774 62.300 0.124 0.000 0.851 231 V CB 1.630 33.519 31.823 0.110 0.000 1.000 231 V HN 0.397 nan 8.190 nan 0.000 0.456 232 V N 4.442 124.410 119.914 0.091 0.000 2.347 232 V HA 0.532 4.652 4.120 -0.000 0.000 0.280 232 V C 0.198 176.325 176.094 0.055 0.000 1.021 232 V CA -0.061 62.276 62.300 0.062 0.000 0.847 232 V CB 1.656 33.508 31.823 0.048 0.000 0.990 232 V HN 0.837 nan 8.190 nan 0.000 0.444 233 S N 4.092 119.827 115.700 0.058 0.000 2.561 233 S HA 0.786 5.256 4.470 -0.000 0.000 0.303 233 S C -0.333 174.296 174.600 0.048 0.000 1.110 233 S CA -0.153 58.081 58.200 0.056 0.000 1.034 233 S CB 1.406 64.649 63.200 0.072 0.000 1.010 233 S HN 1.054 nan 8.310 nan 0.000 0.482 234 A N 4.297 127.141 122.820 0.040 0.000 2.664 234 A HA 0.592 4.912 4.320 -0.000 0.000 0.338 234 A C 0.495 178.100 177.584 0.035 0.000 1.280 234 A CA -0.624 51.436 52.037 0.038 0.000 0.809 234 A CB -0.214 18.807 19.000 0.036 0.000 1.114 234 A HN 0.894 nan 8.150 nan 0.000 0.479 235 T N -1.202 113.374 114.554 0.037 0.000 2.732 235 T HA 0.486 4.836 4.350 -0.000 0.000 0.287 235 T C 1.613 176.331 174.700 0.030 0.000 0.993 235 T CA 0.068 62.190 62.100 0.036 0.000 0.966 235 T CB 0.839 69.730 68.868 0.038 0.000 1.047 235 T HN 1.036 nan 8.240 nan 0.000 0.527 236 A N 0.760 123.598 122.820 0.030 0.000 1.986 236 A HA -0.070 4.250 4.320 -0.000 0.000 0.220 236 A C 2.418 180.013 177.584 0.019 0.000 1.171 236 A CA 1.989 54.041 52.037 0.025 0.000 0.640 236 A CB -1.308 17.708 19.000 0.026 0.000 0.811 236 A HN 1.126 nan 8.150 nan 0.000 0.451 237 S N -0.888 114.823 115.700 0.018 0.000 2.556 237 S HA 0.128 4.598 4.470 -0.000 0.000 0.216 237 S C -0.189 174.418 174.600 0.012 0.000 0.970 237 S CA -0.304 57.904 58.200 0.013 0.000 0.912 237 S CB -0.186 63.022 63.200 0.014 0.000 0.790 237 S HN 0.350 nan 8.310 nan 0.000 0.504 238 D N 2.861 123.269 120.400 0.014 0.000 2.345 238 D HA 0.566 5.206 4.640 -0.000 0.000 0.247 238 D C 0.328 176.622 176.300 -0.010 0.000 1.108 238 D CA 0.073 54.079 54.000 0.009 0.000 0.894 238 D CB 1.390 42.200 40.800 0.018 0.000 1.203 238 D HN 0.432 nan 8.370 nan 0.000 0.430 239 A N 1.738 124.540 122.820 -0.030 0.000 2.520 239 A HA 0.343 4.663 4.320 -0.000 0.000 0.235 239 A C 1.495 179.025 177.584 -0.091 0.000 1.065 239 A CA 0.436 52.433 52.037 -0.066 0.000 0.764 239 A CB 0.177 19.120 19.000 -0.094 0.000 1.002 239 A HN 0.649 nan 8.150 nan 0.000 0.502 240 A N 3.569 126.344 122.820 -0.076 0.000 1.896 240 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 240 A C 0.013 177.562 177.584 -0.058 0.000 1.206 240 A CA 2.300 54.308 52.037 -0.049 0.000 0.647 240 A CB -1.913 17.058 19.000 -0.049 0.000 0.828 240 A HN 0.665 nan 8.150 nan 0.000 0.455 241 P HA -0.172 nan 4.420 nan 0.000 0.215 241 P C 1.478 178.661 177.300 -0.196 0.000 1.157 241 P CA 1.157 64.100 63.100 -0.262 0.000 0.874 241 P CB -0.237 30.961 31.700 -0.838 0.000 0.790 242 L N -0.924 120.113 121.223 -0.310 0.000 2.083 242 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 242 L C 2.678 179.563 176.870 0.025 0.000 1.083 242 L CA 1.554 56.343 54.840 -0.084 0.000 0.752 242 L CB -1.076 40.956 42.059 -0.044 0.000 0.899 242 L HN -0.003 nan 8.230 nan 0.000 0.433 243 Q N -1.289 118.531 119.800 0.033 0.000 2.291 243 Q HA -0.231 4.109 4.340 -0.000 0.000 0.205 243 Q C 2.010 178.086 176.000 0.128 0.000 0.970 243 Q CA 1.413 57.256 55.803 0.067 0.000 0.876 243 Q CB -0.155 28.620 28.738 0.062 0.000 0.935 243 Q HN 0.537 nan 8.270 nan 0.000 0.455 244 Y N 0.725 121.044 120.300 0.032 0.000 2.263 244 Y HA -0.099 4.451 4.550 -0.000 0.000 0.292 244 Y C 1.567 177.566 175.900 0.165 0.000 1.130 244 Y CA 1.102 59.259 58.100 0.094 0.000 1.179 244 Y CB -0.077 38.456 38.460 0.122 0.000 0.998 244 Y HN -0.031 nan 8.280 nan 0.000 0.532 245 L N -0.318 120.881 121.223 -0.039 0.000 2.162 245 L HA 0.020 4.360 4.340 -0.000 0.000 0.205 245 L C 2.812 179.711 176.870 0.049 0.000 1.086 245 L CA 0.719 55.540 54.840 -0.031 0.000 0.778 245 L CB -1.077 41.015 42.059 0.054 0.000 0.928 245 L HN 0.268 nan 8.230 nan 0.000 0.446 246 A N 1.320 124.159 122.820 0.032 0.000 1.923 246 A HA -0.247 4.073 4.320 -0.000 0.000 0.222 246 A C -0.063 177.518 177.584 -0.004 0.000 1.258 246 A CA 2.646 54.697 52.037 0.024 0.000 0.670 246 A CB -2.162 16.851 19.000 0.020 0.000 0.834 246 A HN 0.298 nan 8.150 nan 0.000 0.470 247 P HA -0.140 nan 4.420 nan 0.000 0.216 247 P C 0.921 178.089 177.300 -0.221 0.000 1.150 247 P CA 1.431 64.404 63.100 -0.210 0.000 0.837 247 P CB -0.248 31.080 31.700 -0.620 0.000 0.786 248 Y N -0.694 119.544 120.300 -0.103 0.000 2.373 248 Y HA -0.032 4.518 4.550 -0.000 0.000 0.293 248 Y C 2.581 178.469 175.900 -0.021 0.000 1.129 248 Y CA 0.999 59.045 58.100 -0.089 0.000 1.226 248 Y CB -1.133 37.220 38.460 -0.177 0.000 1.000 248 Y HN -0.081 nan 8.280 nan 0.000 0.549 249 S N -0.152 115.622 115.700 0.122 0.000 2.355 249 S HA -0.133 4.337 4.470 -0.000 0.000 0.222 249 S C 2.445 177.098 174.600 0.089 0.000 1.031 249 S CA 1.223 59.477 58.200 0.090 0.000 0.993 249 S CB -0.942 62.303 63.200 0.075 0.000 0.859 249 S HN 0.634 nan 8.310 nan 0.000 0.453 250 G N 0.193 109.049 108.800 0.094 0.000 2.422 250 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 250 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 250 G C 1.724 176.695 174.900 0.118 0.000 1.146 250 G CA 1.055 46.212 45.100 0.094 0.000 0.769 250 G HN 0.570 nan 8.290 nan 0.000 0.547 251 C N 0.495 119.889 119.300 0.157 0.000 2.413 251 C HA -0.063 4.397 4.460 -0.000 0.000 0.277 251 C C 3.271 178.338 174.990 0.128 0.000 1.228 251 C CA 1.809 60.925 59.018 0.163 0.000 1.731 251 C CB -0.959 26.881 27.740 0.168 0.000 2.042 251 C HN 0.361 nan 8.230 nan 0.000 0.468 252 S N 0.088 115.854 115.700 0.111 0.000 2.419 252 S HA -0.121 4.349 4.470 -0.000 0.000 0.233 252 S C 1.682 176.333 174.600 0.085 0.000 1.016 252 S CA 1.775 60.027 58.200 0.086 0.000 0.974 252 S CB -0.313 62.926 63.200 0.065 0.000 0.786 252 S HN 0.656 nan 8.310 nan 0.000 0.492 253 M N 0.407 120.064 119.600 0.094 0.000 2.254 253 M HA 0.012 4.492 4.480 -0.000 0.000 0.265 253 M C 2.363 178.787 176.300 0.207 0.000 1.066 253 M CA 1.247 56.604 55.300 0.095 0.000 1.123 253 M CB -0.500 32.164 32.600 0.107 0.000 1.388 253 M HN 0.410 nan 8.290 nan 0.000 0.425 254 G N -0.092 108.852 108.800 0.239 0.000 2.430 254 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.216 254 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.216 254 G C 1.311 176.380 174.900 0.282 0.000 1.146 254 G CA 0.240 45.549 45.100 0.348 0.000 0.793 254 G HN 0.448 nan 8.290 nan 0.000 0.537 255 E N -0.581 119.717 120.200 0.163 0.000 2.268 255 E HA -0.126 4.224 4.350 -0.000 0.000 0.195 255 E C 1.852 178.482 176.600 0.049 0.000 0.995 255 E CA 0.466 56.925 56.400 0.098 0.000 0.836 255 E CB -0.180 29.564 29.700 0.073 0.000 0.763 255 E HN 0.612 nan 8.360 nan 0.000 0.491 256 Y N 0.516 120.750 120.300 -0.110 0.000 2.128 256 Y HA -0.286 4.264 4.550 -0.000 0.000 0.284 256 Y C 1.649 177.368 175.900 -0.301 0.000 1.154 256 Y CA 1.678 59.614 58.100 -0.273 0.000 1.149 256 Y CB -0.317 37.854 38.460 -0.481 0.000 0.976 256 Y HN -0.070 nan 8.280 nan 0.000 0.505 257 F N 0.281 120.204 119.950 -0.045 0.000 2.084 257 F HA -0.099 4.428 4.527 -0.000 0.000 0.296 257 F C 2.786 178.490 175.800 -0.160 0.000 1.111 257 F CA 1.831 59.745 58.000 -0.144 0.000 1.224 257 F CB -1.042 37.969 39.000 0.018 0.000 0.991 257 F HN -0.092 nan 8.300 nan 0.000 0.471 258 R N 0.682 121.246 120.500 0.107 0.000 2.113 258 R HA -0.216 4.124 4.340 -0.000 0.000 0.244 258 R C 1.300 177.572 176.300 -0.047 0.000 1.142 258 R CA 2.332 58.443 56.100 0.017 0.000 0.953 258 R CB -0.550 29.778 30.300 0.046 0.000 0.860 258 R HN 0.205 nan 8.270 nan 0.000 0.438 259 D N -0.454 119.901 120.400 -0.075 0.000 2.355 259 D HA -0.020 4.620 4.640 -0.000 0.000 0.218 259 D C 0.097 176.317 176.300 -0.133 0.000 1.004 259 D CA 0.742 54.700 54.000 -0.070 0.000 0.880 259 D CB -0.012 40.757 40.800 -0.052 0.000 0.911 259 D HN 0.401 nan 8.370 nan 0.000 0.528 260 N N -0.452 118.108 118.700 -0.233 0.000 2.467 260 N HA 0.270 5.010 4.740 -0.000 0.000 0.278 260 N C 0.560 175.975 175.510 -0.159 0.000 1.306 260 N CA -0.142 52.756 53.050 -0.253 0.000 0.905 260 N CB 1.252 39.447 38.487 -0.486 0.000 1.236 260 N HN -0.030 nan 8.380 nan 0.000 0.509 261 G N 0.918 109.647 108.800 -0.118 0.000 2.168 261 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.257 261 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.257 261 G C 0.044 174.866 174.900 -0.131 0.000 0.997 261 G CA 0.589 45.627 45.100 -0.104 0.000 0.708 261 G HN 0.328 nan 8.290 nan 0.000 0.520 262 K N -0.791 119.529 120.400 -0.133 0.000 2.331 262 K HA 0.664 4.984 4.320 -0.000 0.000 0.238 262 K C -0.540 175.907 176.600 -0.255 0.000 1.058 262 K CA -1.033 55.217 56.287 -0.061 0.000 0.871 262 K CB 1.244 33.880 32.500 0.227 0.000 1.292 262 K HN 0.277 nan 8.250 nan 0.000 0.470 263 H N -0.374 118.799 119.070 0.172 0.000 2.529 263 H HA 0.527 5.083 4.556 -0.000 0.000 0.348 263 H C -1.024 174.354 175.328 0.084 0.000 1.079 263 H CA -0.688 55.417 56.048 0.095 0.000 1.198 263 H CB 2.011 31.775 29.762 0.003 0.000 1.521 263 H HN 0.687 nan 8.280 nan 0.000 0.514 264 A N 2.879 125.804 122.820 0.174 0.000 2.413 264 A HA 0.561 4.881 4.320 -0.000 0.000 0.307 264 A C -1.359 176.264 177.584 0.064 0.000 1.087 264 A CA -0.689 51.401 52.037 0.088 0.000 0.750 264 A CB 1.874 20.967 19.000 0.155 0.000 1.296 264 A HN 0.451 nan 8.150 nan 0.000 0.423 265 L N 1.967 123.206 121.223 0.026 0.000 2.349 265 L HA 0.740 5.080 4.340 -0.000 0.000 0.278 265 L C -1.062 175.787 176.870 -0.035 0.000 0.996 265 L CA -0.344 54.494 54.840 -0.004 0.000 0.825 265 L CB 1.120 43.178 42.059 -0.002 0.000 1.243 265 L HN 0.689 nan 8.230 nan 0.000 0.412 266 I N 5.444 125.944 120.570 -0.117 0.000 2.441 266 I HA 0.548 4.717 4.170 -0.000 0.000 0.295 266 I C -1.115 174.749 176.117 -0.421 0.000 0.994 266 I CA -0.615 60.523 61.300 -0.270 0.000 1.144 266 I CB 1.447 39.227 38.000 -0.367 0.000 1.314 266 I HN 0.620 nan 8.210 nan 0.000 0.445 267 I N 7.526 127.843 120.570 -0.422 0.000 2.389 267 I HA 0.245 4.415 4.170 -0.000 0.000 0.288 267 I C -1.384 174.412 176.117 -0.535 0.000 0.999 267 I CA -0.541 60.535 61.300 -0.374 0.000 1.129 267 I CB 1.332 39.291 38.000 -0.069 0.000 1.288 267 I HN 0.427 nan 8.210 nan 0.000 0.444 268 Y N 4.039 124.218 120.300 -0.202 0.000 2.593 268 Y HA 0.325 4.875 4.550 -0.000 0.000 0.331 268 Y C -0.112 175.647 175.900 -0.234 0.000 0.986 268 Y CA -1.039 56.915 58.100 -0.243 0.000 1.262 268 Y CB 0.349 38.676 38.460 -0.222 0.000 1.098 268 Y HN 0.378 nan 8.280 nan 0.000 0.506 269 D N 3.661 123.950 120.400 -0.184 0.000 2.472 269 D HA 0.191 4.831 4.640 -0.000 0.000 0.234 269 D C -1.113 175.141 176.300 -0.076 0.000 1.088 269 D CA -0.369 53.556 54.000 -0.125 0.000 0.882 269 D CB 0.367 41.081 40.800 -0.144 0.000 1.037 269 D HN 0.620 nan 8.370 nan 0.000 0.520 270 D N 1.291 121.670 120.400 -0.035 0.000 2.531 270 D HA 0.194 4.834 4.640 -0.000 0.000 0.244 270 D C 0.936 177.205 176.300 -0.052 0.000 1.090 270 D CA -0.733 53.244 54.000 -0.039 0.000 0.989 270 D CB 0.852 41.637 40.800 -0.025 0.000 1.433 270 D HN 0.175 nan 8.370 nan 0.000 0.492 271 L N 0.116 121.272 121.223 -0.113 0.000 2.492 271 L HA -0.013 4.327 4.340 -0.000 0.000 0.223 271 L C 1.925 178.771 176.870 -0.040 0.000 1.132 271 L CA 0.336 55.075 54.840 -0.168 0.000 0.850 271 L CB -0.289 41.450 42.059 -0.532 0.000 0.966 271 L HN 0.326 nan 8.230 nan 0.000 0.454 272 S N 0.273 115.954 115.700 -0.032 0.000 2.368 272 S HA -0.181 4.289 4.470 -0.000 0.000 0.225 272 S C 1.953 176.607 174.600 0.089 0.000 1.030 272 S CA 1.377 59.597 58.200 0.032 0.000 0.999 272 S CB -0.059 63.157 63.200 0.027 0.000 0.844 272 S HN 0.391 nan 8.310 nan 0.000 0.459 273 K N 0.790 121.230 120.400 0.067 0.000 2.228 273 K HA 0.029 4.349 4.320 -0.000 0.000 0.202 273 K C 2.436 179.099 176.600 0.105 0.000 1.051 273 K CA 0.492 56.828 56.287 0.082 0.000 0.960 273 K CB -0.079 32.454 32.500 0.055 0.000 0.743 273 K HN 0.322 nan 8.250 nan 0.000 0.458 274 Q N 0.717 120.577 119.800 0.100 0.000 2.046 274 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 274 Q C 1.996 178.113 176.000 0.196 0.000 0.975 274 Q CA 1.535 57.417 55.803 0.131 0.000 0.836 274 Q CB -0.058 28.733 28.738 0.088 0.000 0.896 274 Q HN 0.298 nan 8.270 nan 0.000 0.428 275 A N 0.075 123.020 122.820 0.208 0.000 1.972 275 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 275 A C 2.209 180.027 177.584 0.390 0.000 1.169 275 A CA 1.375 53.552 52.037 0.233 0.000 0.635 275 A CB -0.625 18.440 19.000 0.109 0.000 0.810 275 A HN 0.301 nan 8.150 nan 0.000 0.446 276 V N -0.374 119.726 119.914 0.311 0.000 2.358 276 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 276 V C 3.021 179.208 176.094 0.155 0.000 1.047 276 V CA 1.889 64.338 62.300 0.248 0.000 1.035 276 V CB -0.953 30.970 31.823 0.167 0.000 0.658 276 V HN 0.625 nan 8.190 nan 0.000 0.452 277 A N -1.107 121.803 122.820 0.150 0.000 1.873 277 A HA -0.249 4.071 4.320 -0.000 0.000 0.215 277 A C 2.155 179.797 177.584 0.097 0.000 1.186 277 A CA 1.880 53.979 52.037 0.103 0.000 0.616 277 A CB -0.796 18.272 19.000 0.115 0.000 0.823 277 A HN 0.593 nan 8.150 nan 0.000 0.442 278 Y N 0.595 120.912 120.300 0.030 0.000 2.207 278 Y HA -0.228 4.322 4.550 -0.000 0.000 0.287 278 Y C 2.512 178.397 175.900 -0.024 0.000 1.156 278 Y CA 2.081 60.144 58.100 -0.061 0.000 1.182 278 Y CB -0.359 38.100 38.460 -0.002 0.000 0.979 278 Y HN 0.356 nan 8.280 nan 0.000 0.521 279 R N 0.233 120.774 120.500 0.067 0.000 2.081 279 R HA -0.241 4.099 4.340 -0.000 0.000 0.235 279 R C 2.456 178.670 176.300 -0.143 0.000 1.131 279 R CA 1.836 57.907 56.100 -0.049 0.000 0.960 279 R CB -0.458 29.805 30.300 -0.063 0.000 0.856 279 R HN 0.565 nan 8.270 nan 0.000 0.436 280 Q N 0.401 120.144 119.800 -0.095 0.000 2.045 280 Q HA -0.243 4.097 4.340 -0.000 0.000 0.206 280 Q C 2.081 177.998 176.000 -0.138 0.000 0.991 280 Q CA 2.440 58.184 55.803 -0.099 0.000 0.851 280 Q CB -0.138 28.564 28.738 -0.061 0.000 0.911 280 Q HN 0.443 nan 8.270 nan 0.000 0.418 281 M N -0.079 119.411 119.600 -0.184 0.000 2.159 281 M HA -0.149 4.331 4.480 -0.000 0.000 0.263 281 M C 2.320 178.467 176.300 -0.255 0.000 1.063 281 M CA 1.492 56.663 55.300 -0.216 0.000 1.110 281 M CB -0.009 32.425 32.600 -0.275 0.000 1.374 281 M HN 0.166 nan 8.290 nan 0.000 0.411 282 S N 0.843 116.329 115.700 -0.356 0.000 2.357 282 S HA -0.018 4.452 4.470 -0.000 0.000 0.221 282 S C 1.873 176.370 174.600 -0.171 0.000 1.031 282 S CA 1.018 59.034 58.200 -0.307 0.000 0.982 282 S CB -0.361 62.616 63.200 -0.372 0.000 0.853 282 S HN 0.383 nan 8.310 nan 0.000 0.458 283 L N 1.018 122.151 121.223 -0.151 0.000 2.083 283 L HA -0.058 4.282 4.340 -0.000 0.000 0.209 283 L C 2.064 178.883 176.870 -0.085 0.000 1.083 283 L CA 1.041 55.818 54.840 -0.105 0.000 0.752 283 L CB -0.478 41.518 42.059 -0.105 0.000 0.899 283 L HN 0.277 nan 8.230 nan 0.000 0.433 284 L N -0.877 120.292 121.223 -0.089 0.000 2.395 284 L HA -0.109 4.231 4.340 -0.000 0.000 0.218 284 L C 2.021 178.858 176.870 -0.055 0.000 1.130 284 L CA 0.487 55.288 54.840 -0.065 0.000 0.826 284 L CB -0.067 41.955 42.059 -0.061 0.000 0.941 284 L HN 0.268 nan 8.230 nan 0.000 0.451 285 L N -0.772 120.409 121.223 -0.071 0.000 2.591 285 L HA 0.103 4.443 4.340 -0.000 0.000 0.228 285 L C 0.694 177.539 176.870 -0.042 0.000 1.133 285 L CA 0.120 54.929 54.840 -0.051 0.000 0.880 285 L CB -0.008 42.012 42.059 -0.064 0.000 1.033 285 L HN 0.209 nan 8.230 nan 0.000 0.450 286 R N 0.324 120.794 120.500 -0.049 0.000 3.656 286 R HA -0.141 4.199 4.340 -0.000 0.000 0.297 286 R C -0.174 176.105 176.300 -0.035 0.000 1.166 286 R CA 0.284 56.361 56.100 -0.039 0.000 0.799 286 R CB -1.750 28.534 30.300 -0.025 0.000 1.285 286 R HN 0.399 nan 8.270 nan 0.000 0.477 287 R N 1.094 121.566 120.500 -0.047 0.000 2.582 287 R HA 0.223 4.562 4.340 -0.000 0.000 0.271 287 R C -2.048 174.236 176.300 -0.027 0.000 1.078 287 R CA -1.660 54.420 56.100 -0.033 0.000 1.127 287 R CB 0.180 30.454 30.300 -0.042 0.000 1.038 287 R HN -0.124 nan 8.270 nan 0.000 0.500 288 P HA 0.028 nan 4.420 nan 0.000 0.264 288 P C -2.349 174.947 177.300 -0.006 0.000 1.193 288 P CA -0.783 62.313 63.100 -0.008 0.000 0.763 288 P CB -0.004 31.697 31.700 0.002 0.000 0.810 289 P HA 0.340 nan 4.420 nan 0.000 0.288 289 P C 0.042 177.333 177.300 -0.015 0.000 1.267 289 P CA -0.051 63.036 63.100 -0.021 0.000 0.815 289 P CB 1.662 33.337 31.700 -0.042 0.000 0.989 290 G N 1.867 110.664 108.800 -0.005 0.000 3.211 290 G HA2 0.349 4.309 3.960 -0.000 0.000 0.167 290 G HA3 0.349 4.309 3.960 -0.000 0.000 0.167 290 G C -0.678 174.186 174.900 -0.060 0.000 1.212 290 G CA -0.894 44.186 45.100 -0.033 0.000 0.928 290 G HN 0.541 nan 8.290 nan 0.000 0.607 291 R N 0.637 121.048 120.500 -0.148 0.000 2.504 291 R HA 0.080 4.420 4.340 -0.000 0.000 0.291 291 R C 0.088 176.389 176.300 0.001 0.000 0.974 291 R CA 1.129 57.131 56.100 -0.162 0.000 1.077 291 R CB -0.314 29.738 30.300 -0.414 0.000 0.926 291 R HN 0.708 nan 8.270 nan 0.000 0.407 292 E N 2.570 122.789 120.200 0.032 0.000 3.170 292 E HA -0.335 4.015 4.350 -0.000 0.000 0.284 292 E C 0.262 176.793 176.600 -0.115 0.000 0.967 292 E CA 0.579 57.018 56.400 0.064 0.000 0.919 292 E CB -1.136 28.738 29.700 0.290 0.000 1.469 292 E HN 0.910 nan 8.360 nan 0.000 0.444 293 A N -2.476 120.287 122.820 -0.096 0.000 3.021 293 A HA -0.295 4.025 4.320 -0.000 0.000 0.257 293 A C 0.045 177.521 177.584 -0.179 0.000 1.277 293 A CA 1.651 53.598 52.037 -0.150 0.000 1.012 293 A CB -2.079 16.808 19.000 -0.188 0.000 1.147 293 A HN 0.410 nan 8.150 nan 0.000 0.861 294 Y N 0.424 120.764 120.300 0.066 0.000 2.326 294 Y HA 0.468 5.018 4.550 -0.000 0.000 0.333 294 Y C -1.350 174.614 175.900 0.106 0.000 1.240 294 Y CA -1.220 56.959 58.100 0.132 0.000 1.365 294 Y CB 0.301 38.944 38.460 0.305 0.000 1.289 294 Y HN 0.245 nan 8.280 nan 0.000 0.548 295 P HA 0.087 nan 4.420 nan 0.000 0.276 295 P C 0.522 177.980 177.300 0.263 0.000 1.244 295 P CA -0.225 62.991 63.100 0.194 0.000 0.801 295 P CB 0.899 32.680 31.700 0.134 0.000 1.006 296 G N 1.075 109.990 108.800 0.192 0.000 2.559 296 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.216 296 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.216 296 G C 0.554 175.603 174.900 0.250 0.000 1.126 296 G CA 0.382 45.599 45.100 0.195 0.000 0.778 296 G HN 0.611 nan 8.290 nan 0.000 0.543 297 D N -0.252 120.326 120.400 0.297 0.000 2.368 297 D HA 0.075 4.715 4.640 -0.000 0.000 0.218 297 D C 1.762 178.268 176.300 0.344 0.000 1.112 297 D CA -0.378 53.838 54.000 0.361 0.000 0.834 297 D CB 0.014 41.054 40.800 0.400 0.000 0.953 297 D HN 0.073 nan 8.370 nan 0.000 0.505 298 V N -0.225 119.883 119.914 0.324 0.000 2.626 298 V HA -0.104 4.015 4.120 -0.000 0.000 0.252 298 V C 1.712 177.802 176.094 -0.006 0.000 1.067 298 V CA 1.167 63.555 62.300 0.147 0.000 1.081 298 V CB -0.684 31.238 31.823 0.164 0.000 0.686 298 V HN 0.214 nan 8.190 nan 0.000 0.468 299 F N -0.185 119.772 119.950 0.012 0.000 2.113 299 F HA -0.163 4.364 4.527 -0.000 0.000 0.297 299 F C 2.166 178.006 175.800 0.067 0.000 1.103 299 F CA 2.155 60.150 58.000 -0.008 0.000 1.248 299 F CB -0.560 38.463 39.000 0.039 0.000 0.999 299 F HN 0.337 nan 8.300 nan 0.000 0.475 300 Y N 0.824 121.235 120.300 0.184 0.000 2.256 300 Y HA -0.220 4.330 4.550 -0.000 0.000 0.288 300 Y C 2.113 177.974 175.900 -0.065 0.000 1.155 300 Y CA 1.561 59.716 58.100 0.092 0.000 1.203 300 Y CB -0.993 37.546 38.460 0.131 0.000 0.980 300 Y HN 0.246 nan 8.280 nan 0.000 0.530 301 L N -0.175 120.936 121.223 -0.186 0.000 1.989 301 L HA -0.267 4.073 4.340 -0.000 0.000 0.211 301 L C 2.253 178.948 176.870 -0.292 0.000 1.071 301 L CA 2.464 57.082 54.840 -0.371 0.000 0.749 301 L CB -0.874 40.843 42.059 -0.571 0.000 0.890 301 L HN 0.341 nan 8.230 nan 0.000 0.431 302 H N -1.783 117.123 119.070 -0.274 0.000 2.448 302 H HA -0.033 4.523 4.556 -0.000 0.000 0.292 302 H C 2.388 177.512 175.328 -0.340 0.000 1.035 302 H CA 0.891 56.731 56.048 -0.346 0.000 1.349 302 H CB 0.054 29.584 29.762 -0.386 0.000 1.425 302 H HN 0.544 nan 8.280 nan 0.000 0.539 303 S N 1.561 117.102 115.700 -0.266 0.000 2.382 303 S HA -0.213 4.257 4.470 -0.000 0.000 0.228 303 S C 2.060 176.621 174.600 -0.064 0.000 1.027 303 S CA 1.176 59.250 58.200 -0.209 0.000 0.991 303 S CB -0.222 62.863 63.200 -0.193 0.000 0.823 303 S HN 0.555 nan 8.310 nan 0.000 0.469 304 R N 0.514 120.985 120.500 -0.048 0.000 2.189 304 R HA 0.192 4.532 4.340 -0.000 0.000 0.218 304 R C 2.241 178.544 176.300 0.004 0.000 1.074 304 R CA 0.952 57.041 56.100 -0.019 0.000 0.991 304 R CB -0.633 29.606 30.300 -0.101 0.000 0.883 304 R HN 0.457 nan 8.270 nan 0.000 0.457 305 L N 1.187 122.395 121.223 -0.024 0.000 2.023 305 L HA 0.048 4.388 4.340 -0.000 0.000 0.205 305 L C 1.996 178.805 176.870 -0.101 0.000 1.073 305 L CA 1.503 56.281 54.840 -0.103 0.000 0.745 305 L CB -0.214 41.597 42.059 -0.414 0.000 0.900 305 L HN 0.177 nan 8.230 nan 0.000 0.435 306 L N -0.538 120.618 121.223 -0.112 0.000 2.291 306 L HA -0.037 4.303 4.340 -0.000 0.000 0.214 306 L C 2.359 179.221 176.870 -0.013 0.000 1.120 306 L CA 0.358 55.167 54.840 -0.052 0.000 0.799 306 L CB -0.621 41.384 42.059 -0.089 0.000 0.925 306 L HN 0.276 nan 8.230 nan 0.000 0.446 307 E N 0.589 120.781 120.200 -0.013 0.000 2.274 307 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 307 E C 2.135 178.743 176.600 0.012 0.000 0.996 307 E CA 0.639 57.042 56.400 0.004 0.000 0.840 307 E CB 0.002 29.710 29.700 0.014 0.000 0.772 307 E HN 0.467 nan 8.360 nan 0.000 0.491 308 R N 0.684 121.197 120.500 0.022 0.000 2.237 308 R HA 0.041 4.381 4.340 -0.000 0.000 0.219 308 R C 0.932 177.256 176.300 0.040 0.000 1.080 308 R CA 0.513 56.633 56.100 0.033 0.000 0.995 308 R CB -0.053 30.279 30.300 0.052 0.000 0.875 308 R HN -0.060 nan 8.270 nan 0.000 0.462 309 A N 1.080 123.926 122.820 0.044 0.000 2.401 309 A HA 0.607 4.927 4.320 -0.000 0.000 0.259 309 A C -0.116 177.482 177.584 0.022 0.000 1.103 309 A CA 0.156 52.218 52.037 0.042 0.000 0.789 309 A CB 0.472 19.498 19.000 0.045 0.000 1.035 309 A HN 0.306 nan 8.150 nan 0.000 0.491 310 A N 1.913 124.746 122.820 0.022 0.000 2.544 310 A HA 0.664 4.984 4.320 -0.000 0.000 0.291 310 A C -1.016 176.578 177.584 0.016 0.000 1.055 310 A CA -0.705 51.337 52.037 0.008 0.000 0.651 310 A CB 0.873 19.864 19.000 -0.015 0.000 1.296 310 A HN 0.963 nan 8.150 nan 0.000 0.431 311 K N 1.638 122.044 120.400 0.010 0.000 2.367 311 K HA 0.609 4.929 4.320 -0.000 0.000 0.263 311 K C -0.487 176.117 176.600 0.006 0.000 1.000 311 K CA -0.386 55.917 56.287 0.026 0.000 0.891 311 K CB 0.353 32.872 32.500 0.031 0.000 1.117 311 K HN 0.615 nan 8.250 nan 0.000 0.443 312 M N 2.591 122.196 119.600 0.009 0.000 2.247 312 M HA 0.211 4.691 4.480 -0.000 0.000 0.326 312 M C 0.475 176.806 176.300 0.051 0.000 1.134 312 M CA -0.562 54.741 55.300 0.005 0.000 1.136 312 M CB 0.155 32.775 32.600 0.034 0.000 1.454 312 M HN 0.726 nan 8.290 nan 0.000 0.467 313 N N 0.583 119.334 118.700 0.085 0.000 2.366 313 N HA 0.123 4.863 4.740 -0.000 0.000 0.277 313 N C 0.139 175.728 175.510 0.132 0.000 1.275 313 N CA -0.339 52.778 53.050 0.111 0.000 0.964 313 N CB 0.345 38.908 38.487 0.128 0.000 1.167 313 N HN 0.402 nan 8.380 nan 0.000 0.568 314 D N -0.575 119.881 120.400 0.093 0.000 2.097 314 D HA -0.109 4.530 4.640 -0.000 0.000 0.195 314 D C 1.732 178.059 176.300 0.045 0.000 0.989 314 D CA 1.930 55.966 54.000 0.059 0.000 0.827 314 D CB -0.759 40.062 40.800 0.035 0.000 0.966 314 D HN 0.702 nan 8.370 nan 0.000 0.456 315 A N -0.261 122.589 122.820 0.050 0.000 2.131 315 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 315 A C 1.573 179.018 177.584 -0.231 0.000 1.158 315 A CA 0.950 52.943 52.037 -0.073 0.000 0.665 315 A CB -0.698 18.260 19.000 -0.069 0.000 0.795 315 A HN 0.183 nan 8.150 nan 0.000 0.460 316 F N -1.779 118.160 119.950 -0.019 0.000 2.695 316 F HA 0.391 4.918 4.527 -0.000 0.000 0.303 316 F C 1.753 177.528 175.800 -0.041 0.000 1.091 316 F CA 0.691 58.675 58.000 -0.028 0.000 1.300 316 F CB 0.750 39.736 39.000 -0.023 0.000 1.071 316 F HN 0.342 nan 8.300 nan 0.000 0.578 317 G N -0.622 108.215 108.800 0.061 0.000 2.231 317 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.206 317 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.206 317 G C 1.269 176.173 174.900 0.008 0.000 0.996 317 G CA -0.129 44.977 45.100 0.009 0.000 0.645 317 G HN 0.935 nan 8.290 nan 0.000 0.498 318 G N -0.391 108.434 108.800 0.042 0.000 2.189 318 G HA2 0.122 4.082 3.960 -0.000 0.000 0.267 318 G HA3 0.122 4.082 3.960 -0.000 0.000 0.267 318 G C 1.694 176.576 174.900 -0.030 0.000 0.975 318 G CA 1.206 46.325 45.100 0.033 0.000 0.644 318 G HN 2.138 nan 8.290 nan 0.000 0.537 319 G N -0.361 108.376 108.800 -0.105 0.000 2.712 319 G HA2 0.610 4.570 3.960 -0.000 0.000 0.258 319 G HA3 0.610 4.570 3.960 -0.000 0.000 0.258 319 G C 0.420 175.225 174.900 -0.159 0.000 1.241 319 G CA 1.327 46.262 45.100 -0.274 0.000 0.923 319 G HN 1.979 nan 8.290 nan 0.000 0.548 320 S N -2.010 113.603 115.700 -0.145 0.000 2.611 320 S HA 0.603 5.073 4.470 -0.000 0.000 0.268 320 S C -1.627 173.032 174.600 0.097 0.000 1.156 320 S CA -0.798 57.443 58.200 0.068 0.000 0.817 320 S CB 1.868 65.228 63.200 0.267 0.000 1.122 320 S HN 1.443 nan 8.310 nan 0.000 0.466 321 L N 1.331 122.608 121.223 0.091 0.000 2.541 321 L HA 0.673 5.013 4.340 -0.000 0.000 0.266 321 L C -0.966 175.937 176.870 0.055 0.000 0.966 321 L CA 0.268 55.159 54.840 0.084 0.000 0.871 321 L CB 1.827 43.936 42.059 0.083 0.000 1.232 321 L HN 0.925 nan 8.230 nan 0.000 0.408 322 T N 3.867 118.444 114.554 0.039 0.000 2.829 322 T HA 0.865 5.215 4.350 -0.000 0.000 0.282 322 T C -0.274 174.413 174.700 -0.021 0.000 0.990 322 T CA -0.110 61.995 62.100 0.008 0.000 1.028 322 T CB 1.475 70.341 68.868 -0.004 0.000 0.951 322 T HN 0.786 nan 8.240 nan 0.000 0.460 323 A N 3.149 125.956 122.820 -0.021 0.000 2.342 323 A HA 0.776 5.096 4.320 -0.000 0.000 0.323 323 A C -0.609 176.943 177.584 -0.053 0.000 1.125 323 A CA -0.735 51.272 52.037 -0.050 0.000 0.785 323 A CB 0.714 19.742 19.000 0.048 0.000 1.221 323 A HN 0.852 nan 8.150 nan 0.000 0.463 324 L N 4.029 125.192 121.223 -0.101 0.000 2.502 324 L HA 0.310 4.650 4.340 -0.000 0.000 0.247 324 L C -2.398 174.438 176.870 -0.057 0.000 1.180 324 L CA -1.746 53.052 54.840 -0.070 0.000 0.956 324 L CB 1.313 43.336 42.059 -0.059 0.000 1.282 324 L HN 0.475 nan 8.230 nan 0.000 0.470 325 P HA 0.099 nan 4.420 nan 0.000 0.269 325 P C -0.468 176.804 177.300 -0.047 0.000 1.209 325 P CA -0.026 63.098 63.100 0.040 0.000 0.776 325 P CB 1.730 33.415 31.700 -0.026 0.000 0.876 326 V N 4.068 123.949 119.914 -0.054 0.000 2.540 326 V HA 0.416 4.536 4.120 -0.000 0.000 0.302 326 V C 0.178 176.220 176.094 -0.087 0.000 1.035 326 V CA -0.593 61.669 62.300 -0.064 0.000 0.873 326 V CB 1.934 33.737 31.823 -0.033 0.000 0.992 326 V HN 0.408 nan 8.190 nan 0.000 0.428 327 I N 3.300 123.819 120.570 -0.085 0.000 2.545 327 I HA 0.443 4.613 4.170 -0.000 0.000 0.292 327 I C -0.061 176.036 176.117 -0.034 0.000 1.040 327 I CA -0.453 60.801 61.300 -0.077 0.000 1.068 327 I CB 2.119 40.059 38.000 -0.099 0.000 1.251 327 I HN 0.783 nan 8.210 nan 0.000 0.424 328 E N 4.893 125.086 120.200 -0.011 0.000 2.146 328 E HA 0.386 4.736 4.350 -0.000 0.000 0.282 328 E C -0.505 176.111 176.600 0.028 0.000 0.989 328 E CA -0.401 56.005 56.400 0.010 0.000 0.799 328 E CB 1.066 30.777 29.700 0.018 0.000 1.088 328 E HN 0.698 nan 8.360 nan 0.000 0.397 329 T N 2.022 116.599 114.554 0.038 0.000 2.881 329 T HA 0.322 4.672 4.350 -0.000 0.000 0.278 329 T C -0.041 174.690 174.700 0.052 0.000 0.982 329 T CA -0.992 61.141 62.100 0.055 0.000 0.989 329 T CB 1.382 70.294 68.868 0.073 0.000 1.058 329 T HN 0.355 nan 8.240 nan 0.000 0.529 330 Q N 0.309 120.143 119.800 0.058 0.000 2.341 330 Q HA 0.540 4.880 4.340 -0.000 0.000 0.268 330 Q C 0.246 176.275 176.000 0.048 0.000 1.013 330 Q CA -0.281 55.553 55.803 0.051 0.000 0.798 330 Q CB 1.370 30.142 28.738 0.057 0.000 1.253 330 Q HN 1.231 nan 8.270 nan 0.000 0.457 331 A N 2.230 125.075 122.820 0.041 0.000 2.745 331 A HA -0.156 4.164 4.320 -0.000 0.000 0.296 331 A C 1.102 178.710 177.584 0.040 0.000 1.500 331 A CA 1.270 53.330 52.037 0.038 0.000 0.766 331 A CB -2.161 16.860 19.000 0.034 0.000 1.030 331 A HN 1.562 nan 8.150 nan 0.000 0.489 332 G N -0.851 107.977 108.800 0.047 0.000 2.258 332 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.274 332 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.274 332 G C -0.030 174.899 174.900 0.049 0.000 1.021 332 G CA 1.117 46.247 45.100 0.051 0.000 0.798 332 G HN 1.771 nan 8.290 nan 0.000 0.507 333 D N 0.355 120.788 120.400 0.056 0.000 2.483 333 D HA 0.358 4.998 4.640 -0.000 0.000 0.220 333 D C 1.792 178.138 176.300 0.077 0.000 1.173 333 D CA 0.103 54.138 54.000 0.058 0.000 0.964 333 D CB 0.472 41.307 40.800 0.059 0.000 1.046 333 D HN 0.528 nan 8.370 nan 0.000 0.517 334 V N 1.159 121.123 119.914 0.083 0.000 3.305 334 V HA 0.015 4.135 4.120 -0.000 0.000 0.269 334 V C 1.338 177.495 176.094 0.106 0.000 1.157 334 V CA 0.764 63.139 62.300 0.125 0.000 1.157 334 V CB -0.301 31.635 31.823 0.189 0.000 0.772 334 V HN 0.296 nan 8.190 nan 0.000 0.498 335 S N 0.629 116.379 115.700 0.085 0.000 2.577 335 S HA 0.621 5.091 4.470 -0.000 0.000 0.219 335 S C 1.133 175.798 174.600 0.110 0.000 0.962 335 S CA 0.264 58.518 58.200 0.089 0.000 0.921 335 S CB -0.082 63.158 63.200 0.067 0.000 0.789 335 S HN 0.891 nan 8.310 nan 0.000 0.497 336 A N 0.494 123.381 122.820 0.113 0.000 2.366 336 A HA 0.360 4.679 4.320 -0.000 0.000 0.250 336 A C 0.894 178.592 177.584 0.191 0.000 1.099 336 A CA -0.142 51.982 52.037 0.145 0.000 0.794 336 A CB -0.114 18.963 19.000 0.128 0.000 1.056 336 A HN 0.347 nan 8.150 nan 0.000 0.499 337 Y N 0.780 121.124 120.300 0.074 0.000 2.049 337 Y HA -0.223 4.326 4.550 -0.000 0.000 0.277 337 Y C 2.033 177.945 175.900 0.021 0.000 1.143 337 Y CA 2.242 60.378 58.100 0.060 0.000 1.115 337 Y CB -0.267 38.244 38.460 0.085 0.000 0.975 337 Y HN 0.489 nan 8.280 nan 0.000 0.487 338 I N 0.638 121.110 120.570 -0.163 0.000 2.163 338 I HA -0.216 3.954 4.170 -0.000 0.000 0.243 338 I C -0.385 175.639 176.117 -0.154 0.000 1.085 338 I CA 1.499 62.628 61.300 -0.286 0.000 1.347 338 I CB -2.901 34.954 38.000 -0.241 0.000 1.044 338 I HN 0.198 nan 8.210 nan 0.000 0.408 339 P HA -0.128 nan 4.420 nan 0.000 0.215 339 P C 1.878 179.176 177.300 -0.004 0.000 1.157 339 P CA 1.840 64.927 63.100 -0.021 0.000 0.874 339 P CB -0.265 31.459 31.700 0.040 0.000 0.790 340 T N -0.366 114.204 114.554 0.027 0.000 2.665 340 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 340 T C 1.613 176.347 174.700 0.057 0.000 1.035 340 T CA 1.660 63.798 62.100 0.064 0.000 1.151 340 T CB -0.952 67.983 68.868 0.112 0.000 0.862 340 T HN 0.128 nan 8.240 nan 0.000 0.438 341 N N 0.923 119.619 118.700 -0.007 0.000 2.043 341 N HA -0.075 4.665 4.740 -0.000 0.000 0.193 341 N C 1.984 177.479 175.510 -0.024 0.000 1.037 341 N CA 0.988 54.088 53.050 0.083 0.000 0.851 341 N CB -0.876 37.581 38.487 -0.049 0.000 1.027 341 N HN 0.243 nan 8.380 nan 0.000 0.422 342 V N 1.501 121.346 119.914 -0.117 0.000 2.548 342 V HA -0.078 4.042 4.120 -0.000 0.000 0.249 342 V C 2.253 178.287 176.094 -0.100 0.000 1.055 342 V CA 0.847 63.044 62.300 -0.170 0.000 1.065 342 V CB -0.425 31.241 31.823 -0.261 0.000 0.681 342 V HN 0.207 nan 8.190 nan 0.000 0.462 343 I N 1.247 121.789 120.570 -0.045 0.000 2.286 343 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 343 I C 2.629 178.760 176.117 0.023 0.000 1.115 343 I CA 1.940 63.233 61.300 -0.012 0.000 1.392 343 I CB -0.303 37.731 38.000 0.056 0.000 1.065 343 I HN 0.499 nan 8.210 nan 0.000 0.418 344 S N 0.484 116.222 115.700 0.065 0.000 2.446 344 S HA -0.019 4.451 4.470 -0.000 0.000 0.225 344 S C 2.005 176.658 174.600 0.089 0.000 1.016 344 S CA 0.273 58.534 58.200 0.102 0.000 0.943 344 S CB -0.223 63.075 63.200 0.164 0.000 0.786 344 S HN 0.231 nan 8.310 nan 0.000 0.508 345 I N 3.158 123.748 120.570 0.033 0.000 2.202 345 I HA -0.052 4.118 4.170 -0.000 0.000 0.242 345 I C 1.681 177.785 176.117 -0.022 0.000 1.091 345 I CA 1.306 62.591 61.300 -0.024 0.000 1.368 345 I CB -2.203 35.698 38.000 -0.166 0.000 1.058 345 I HN 0.504 nan 8.210 nan 0.000 0.410 346 T N -0.864 113.665 114.554 -0.042 0.000 2.802 346 T HA 0.031 4.381 4.350 -0.000 0.000 0.305 346 T C 0.784 175.473 174.700 -0.018 0.000 1.053 346 T CA -0.421 61.654 62.100 -0.041 0.000 1.058 346 T CB 1.028 69.855 68.868 -0.069 0.000 0.988 346 T HN 0.127 nan 8.240 nan 0.000 0.539 347 D N 0.384 120.773 120.400 -0.019 0.000 2.349 347 D HA 0.275 4.915 4.640 -0.000 0.000 0.215 347 D C 1.014 177.308 176.300 -0.010 0.000 1.016 347 D CA 0.694 54.689 54.000 -0.008 0.000 0.870 347 D CB 0.131 40.926 40.800 -0.008 0.000 0.917 347 D HN 0.884 nan 8.370 nan 0.000 0.524 348 G N -0.243 108.541 108.800 -0.027 0.000 2.328 348 G HA2 0.407 4.367 3.960 -0.000 0.000 0.295 348 G HA3 0.407 4.367 3.960 -0.000 0.000 0.295 348 G C -1.942 172.904 174.900 -0.091 0.000 1.413 348 G CA -0.770 44.311 45.100 -0.031 0.000 0.817 348 G HN -0.053 nan 8.290 nan 0.000 0.546 349 Q N -0.989 118.734 119.800 -0.128 0.000 2.377 349 Q HA 0.643 4.983 4.340 -0.000 0.000 0.279 349 Q C -0.891 174.926 176.000 -0.304 0.000 1.049 349 Q CA -0.466 55.147 55.803 -0.316 0.000 0.825 349 Q CB 2.791 31.149 28.738 -0.632 0.000 1.401 349 Q HN 0.585 nan 8.270 nan 0.000 0.404 350 I N 2.596 122.978 120.570 -0.313 0.000 2.337 350 I HA 0.374 4.544 4.170 -0.000 0.000 0.285 350 I C -0.949 175.046 176.117 -0.204 0.000 1.041 350 I CA -0.440 60.764 61.300 -0.160 0.000 1.199 350 I CB 0.379 38.332 38.000 -0.079 0.000 1.370 350 I HN 0.456 nan 8.210 nan 0.000 0.470 351 F N 6.475 126.430 119.950 0.009 0.000 2.404 351 F HA 0.455 4.981 4.527 -0.000 0.000 0.345 351 F C 0.235 176.045 175.800 0.017 0.000 1.110 351 F CA -0.367 57.639 58.000 0.010 0.000 1.130 351 F CB 0.814 39.821 39.000 0.012 0.000 1.129 351 F HN 0.171 nan 8.300 nan 0.000 0.500 352 L N 3.122 124.456 121.223 0.186 0.000 2.331 352 L HA 0.572 4.912 4.340 -0.000 0.000 0.275 352 L C -0.586 176.357 176.870 0.121 0.000 1.022 352 L CA -0.731 54.183 54.840 0.124 0.000 0.812 352 L CB 2.012 44.114 42.059 0.071 0.000 1.257 352 L HN 0.605 nan 8.230 nan 0.000 0.435 353 E N 0.055 120.319 120.200 0.107 0.000 2.314 353 E HA 0.246 4.596 4.350 -0.000 0.000 0.272 353 E C -0.168 176.498 176.600 0.109 0.000 0.884 353 E CA -0.458 55.999 56.400 0.096 0.000 0.753 353 E CB 2.426 32.178 29.700 0.086 0.000 1.213 353 E HN 0.531 nan 8.360 nan 0.000 0.432 354 T N 1.086 115.700 114.554 0.099 0.000 2.708 354 T HA -0.203 4.147 4.350 -0.000 0.000 0.266 354 T C 1.515 176.370 174.700 0.258 0.000 1.037 354 T CA 1.356 63.542 62.100 0.144 0.000 1.146 354 T CB 0.011 68.973 68.868 0.157 0.000 0.865 354 T HN 0.531 nan 8.240 nan 0.000 0.435 355 E N 0.973 121.289 120.200 0.195 0.000 2.077 355 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 355 E C 2.240 178.944 176.600 0.174 0.000 0.989 355 E CA 0.940 57.452 56.400 0.186 0.000 0.800 355 E CB -0.236 29.532 29.700 0.113 0.000 0.746 355 E HN 0.456 nan 8.360 nan 0.000 0.452 356 L N 0.049 121.355 121.223 0.139 0.000 2.012 356 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 356 L C 2.618 179.549 176.870 0.102 0.000 1.073 356 L CA 1.404 56.309 54.840 0.108 0.000 0.748 356 L CB -0.648 41.468 42.059 0.095 0.000 0.891 356 L HN 0.195 nan 8.230 nan 0.000 0.431 357 F N 0.320 120.240 119.950 -0.050 0.000 2.046 357 F HA -0.306 4.221 4.527 -0.000 0.000 0.297 357 F C 2.298 177.973 175.800 -0.208 0.000 1.123 357 F CA 1.728 59.620 58.000 -0.179 0.000 1.199 357 F CB -0.482 38.327 39.000 -0.318 0.000 0.972 357 F HN -0.056 nan 8.300 nan 0.000 0.474 358 Y N 0.108 120.584 120.300 0.293 0.000 2.616 358 Y HA -0.034 4.516 4.550 -0.000 0.000 0.296 358 Y C 2.179 178.111 175.900 0.053 0.000 1.154 358 Y CA 0.883 59.082 58.100 0.165 0.000 1.325 358 Y CB -0.631 37.942 38.460 0.188 0.000 1.007 358 Y HN 0.097 nan 8.280 nan 0.000 0.542 359 K N -0.850 119.635 120.400 0.142 0.000 2.400 359 K HA 0.127 4.447 4.320 -0.000 0.000 0.194 359 K C 1.335 177.949 176.600 0.024 0.000 1.033 359 K CA 0.802 57.141 56.287 0.088 0.000 1.021 359 K CB 0.057 32.607 32.500 0.083 0.000 0.808 359 K HN 0.405 nan 8.250 nan 0.000 0.505 360 G N 0.631 109.402 108.800 -0.049 0.000 2.255 360 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.196 360 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.196 360 G C -0.062 174.770 174.900 -0.113 0.000 0.998 360 G CA -0.390 44.655 45.100 -0.092 0.000 0.656 360 G HN 0.099 nan 8.290 nan 0.000 0.490 361 I N 2.400 122.920 120.570 -0.083 0.000 2.329 361 I HA 0.410 4.580 4.170 -0.000 0.000 0.295 361 I C 0.602 176.653 176.117 -0.109 0.000 1.109 361 I CA 0.288 61.553 61.300 -0.060 0.000 1.297 361 I CB -0.286 37.715 38.000 0.002 0.000 1.433 361 I HN 0.156 nan 8.210 nan 0.000 0.509 362 R N 7.401 127.823 120.500 -0.131 0.000 2.533 362 R HA 0.390 4.730 4.340 -0.000 0.000 0.288 362 R C -2.639 173.612 176.300 -0.082 0.000 1.039 362 R CA -1.643 54.369 56.100 -0.148 0.000 0.909 362 R CB 2.659 32.765 30.300 -0.323 0.000 1.195 362 R HN 0.262 nan 8.270 nan 0.000 0.438 363 P HA -0.031 nan 4.420 nan 0.000 0.266 363 P C -0.182 177.132 177.300 0.023 0.000 1.195 363 P CA -0.013 63.084 63.100 -0.004 0.000 0.768 363 P CB 0.784 32.486 31.700 0.004 0.000 0.838 364 A N 4.349 127.218 122.820 0.082 0.000 2.810 364 A HA 0.174 4.494 4.320 -0.000 0.000 0.247 364 A C 0.789 178.429 177.584 0.093 0.000 1.576 364 A CA -0.299 51.802 52.037 0.106 0.000 1.294 364 A CB -1.430 17.701 19.000 0.219 0.000 0.976 364 A HN 0.476 nan 8.150 nan 0.000 0.631 365 I N 0.832 121.445 120.570 0.071 0.000 2.395 365 I HA 0.066 4.235 4.170 -0.000 0.000 0.289 365 I C 0.458 176.627 176.117 0.087 0.000 1.023 365 I CA -0.495 60.853 61.300 0.081 0.000 1.350 365 I CB 0.820 38.856 38.000 0.060 0.000 1.409 365 I HN 0.290 nan 8.210 nan 0.000 0.507 366 N N 6.275 125.044 118.700 0.114 0.000 2.482 366 N HA 0.072 4.812 4.740 -0.000 0.000 0.242 366 N C 0.621 176.189 175.510 0.097 0.000 1.100 366 N CA 0.047 53.153 53.050 0.093 0.000 0.946 366 N CB 1.376 39.910 38.487 0.078 0.000 1.227 366 N HN 0.446 nan 8.380 nan 0.000 0.508 367 V N 3.402 123.361 119.914 0.075 0.000 2.720 367 V HA -0.125 3.995 4.120 -0.000 0.000 0.256 367 V C 2.121 178.252 176.094 0.061 0.000 1.082 367 V CA 2.102 64.443 62.300 0.068 0.000 1.101 367 V CB -0.596 31.263 31.823 0.059 0.000 0.693 367 V HN 0.765 nan 8.190 nan 0.000 0.479 368 G N -0.597 108.230 108.800 0.046 0.000 2.394 368 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.215 368 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.215 368 G C 1.462 176.373 174.900 0.018 0.000 1.165 368 G CA 0.751 45.864 45.100 0.022 0.000 0.784 368 G HN 0.507 nan 8.290 nan 0.000 0.535 369 L N 0.427 121.663 121.223 0.021 0.000 2.425 369 L HA 0.227 4.567 4.340 -0.000 0.000 0.215 369 L C 1.261 178.263 176.870 0.220 0.000 1.065 369 L CA -0.129 54.715 54.840 0.007 0.000 0.842 369 L CB -0.113 41.787 42.059 -0.265 0.000 1.033 369 L HN -0.049 nan 8.230 nan 0.000 0.474 370 S N 0.653 116.534 115.700 0.302 0.000 2.558 370 S HA 0.296 4.766 4.470 -0.000 0.000 0.287 370 S C -0.130 174.569 174.600 0.165 0.000 1.321 370 S CA -0.211 58.169 58.200 0.300 0.000 1.048 370 S CB 0.802 64.109 63.200 0.179 0.000 0.844 370 S HN 0.147 nan 8.310 nan 0.000 0.512 371 V N -0.430 119.553 119.914 0.115 0.000 3.178 371 V HA 0.855 4.975 4.120 -0.000 0.000 0.302 371 V C -0.577 175.534 176.094 0.029 0.000 1.262 371 V CA -0.885 61.458 62.300 0.071 0.000 1.030 371 V CB 2.016 33.890 31.823 0.084 0.000 1.074 371 V HN 0.682 nan 8.190 nan 0.000 0.438 372 S N 0.371 116.084 115.700 0.022 0.000 2.789 372 S HA 0.464 4.934 4.470 -0.000 0.000 0.286 372 S C 0.605 175.212 174.600 0.011 0.000 1.153 372 S CA -0.668 57.537 58.200 0.007 0.000 1.084 372 S CB 1.295 64.496 63.200 0.002 0.000 1.036 372 S HN 0.799 nan 8.310 nan 0.000 0.484 373 R N 2.547 123.053 120.500 0.011 0.000 2.193 373 R HA -0.038 4.302 4.340 -0.000 0.000 0.229 373 R C 1.595 177.899 176.300 0.008 0.000 1.110 373 R CA 1.274 57.382 56.100 0.013 0.000 0.988 373 R CB -0.205 30.104 30.300 0.014 0.000 0.871 373 R HN 0.558 nan 8.270 nan 0.000 0.458 374 V N 0.155 120.071 119.914 0.002 0.000 2.453 374 V HA -0.094 4.026 4.120 -0.000 0.000 0.247 374 V C 1.890 177.984 176.094 -0.001 0.000 1.048 374 V CA 1.397 63.697 62.300 -0.001 0.000 1.049 374 V CB -0.878 30.941 31.823 -0.007 0.000 0.672 374 V HN 0.666 nan 8.190 nan 0.000 0.457 375 G N 0.289 109.090 108.800 0.001 0.000 2.684 375 G HA2 -0.495 3.465 3.960 -0.000 0.000 0.342 375 G HA3 -0.495 3.465 3.960 -0.000 0.000 0.342 375 G C 1.357 176.256 174.900 -0.001 0.000 1.316 375 G CA 1.189 46.291 45.100 0.003 0.000 0.994 375 G HN 0.446 nan 8.290 nan 0.000 0.541 376 S N 0.249 115.950 115.700 0.002 0.000 2.407 376 S HA -0.108 4.362 4.470 -0.000 0.000 0.235 376 S C 2.687 177.284 174.600 -0.005 0.000 1.036 376 S CA 2.182 60.382 58.200 0.000 0.000 1.013 376 S CB -0.677 62.525 63.200 0.003 0.000 0.820 376 S HN 1.700 nan 8.310 nan 0.000 0.476 377 A N -0.159 122.658 122.820 -0.006 0.000 2.172 377 A HA 0.388 4.708 4.320 -0.000 0.000 0.216 377 A C 1.857 179.431 177.584 -0.017 0.000 1.154 377 A CA 1.306 53.337 52.037 -0.009 0.000 0.701 377 A CB -0.488 18.508 19.000 -0.007 0.000 0.789 377 A HN 0.624 nan 8.150 nan 0.000 0.465 378 A N -0.569 122.239 122.820 -0.020 0.000 2.430 378 A HA 0.352 4.672 4.320 -0.000 0.000 0.243 378 A C 0.650 178.213 177.584 -0.035 0.000 1.254 378 A CA 0.000 52.018 52.037 -0.031 0.000 0.914 378 A CB -0.129 18.853 19.000 -0.030 0.000 0.998 378 A HN 0.691 nan 8.150 nan 0.000 0.515 379 Q N -0.016 119.769 119.800 -0.025 0.000 2.348 379 Q HA 0.570 4.910 4.340 -0.000 0.000 0.271 379 Q C -0.417 175.570 176.000 -0.022 0.000 1.067 379 Q CA -0.648 55.142 55.803 -0.022 0.000 0.839 379 Q CB 0.786 29.519 28.738 -0.010 0.000 1.354 379 Q HN 0.200 nan 8.270 nan 0.000 0.447 380 T N -1.539 113.002 114.554 -0.022 0.000 2.860 380 T HA 0.103 4.453 4.350 -0.000 0.000 0.299 380 T C 1.016 175.711 174.700 -0.009 0.000 1.045 380 T CA -0.436 61.652 62.100 -0.019 0.000 1.071 380 T CB 1.396 70.253 68.868 -0.018 0.000 0.985 380 T HN 0.845 nan 8.240 nan 0.000 0.537 381 R N 1.058 121.553 120.500 -0.008 0.000 2.094 381 R HA -0.196 4.144 4.340 -0.000 0.000 0.239 381 R C 2.533 178.836 176.300 0.004 0.000 1.137 381 R CA 1.834 57.933 56.100 -0.002 0.000 0.943 381 R CB -1.184 29.114 30.300 -0.004 0.000 0.850 381 R HN 0.868 nan 8.270 nan 0.000 0.433 382 A N 1.160 123.981 122.820 0.001 0.000 1.870 382 A HA -0.314 4.006 4.320 -0.000 0.000 0.219 382 A C 2.170 179.766 177.584 0.020 0.000 1.224 382 A CA 2.206 54.246 52.037 0.005 0.000 0.650 382 A CB -0.780 18.218 19.000 -0.002 0.000 0.836 382 A HN 0.523 nan 8.150 nan 0.000 0.454 383 M N -0.181 119.429 119.600 0.016 0.000 2.108 383 M HA -0.133 4.347 4.480 -0.000 0.000 0.261 383 M C 1.847 178.161 176.300 0.024 0.000 1.066 383 M CA 2.027 57.341 55.300 0.023 0.000 1.107 383 M CB -0.456 32.153 32.600 0.015 0.000 1.356 383 M HN 0.410 nan 8.290 nan 0.000 0.406 384 K N -0.581 119.829 120.400 0.016 0.000 2.211 384 K HA -0.237 4.083 4.320 -0.000 0.000 0.204 384 K C 2.071 178.686 176.600 0.024 0.000 1.047 384 K CA 1.598 57.895 56.287 0.016 0.000 0.935 384 K CB -0.341 32.165 32.500 0.010 0.000 0.728 384 K HN 0.616 nan 8.250 nan 0.000 0.452 385 Q N 0.962 120.782 119.800 0.034 0.000 2.224 385 Q HA -0.121 4.219 4.340 -0.000 0.000 0.203 385 Q C 1.716 177.756 176.000 0.067 0.000 0.970 385 Q CA 1.485 57.318 55.803 0.051 0.000 0.865 385 Q CB 0.372 29.146 28.738 0.059 0.000 0.922 385 Q HN 0.307 nan 8.270 nan 0.000 0.445 386 V N -4.617 115.336 119.914 0.065 0.000 3.359 386 V HA 0.371 4.490 4.120 -0.000 0.000 0.245 386 V C 2.111 178.220 176.094 0.025 0.000 1.247 386 V CA 0.597 62.932 62.300 0.059 0.000 1.145 386 V CB -0.526 31.358 31.823 0.102 0.000 0.906 386 V HN 0.202 nan 8.190 nan 0.000 0.464 387 A N 2.151 124.986 122.820 0.026 0.000 1.873 387 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 387 A C 2.365 179.955 177.584 0.010 0.000 1.193 387 A CA 2.708 54.755 52.037 0.017 0.000 0.629 387 A CB -1.609 17.401 19.000 0.017 0.000 0.826 387 A HN 0.811 nan 8.150 nan 0.000 0.447 388 G N -1.430 107.376 108.800 0.010 0.000 2.440 388 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.218 388 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.218 388 G C 1.566 176.466 174.900 0.000 0.000 1.154 388 G CA 1.754 46.858 45.100 0.007 0.000 0.767 388 G HN 0.470 nan 8.290 nan 0.000 0.552 389 T N 0.637 115.187 114.554 -0.007 0.000 2.777 389 T HA -0.044 4.306 4.350 -0.000 0.000 0.266 389 T C 2.269 176.954 174.700 -0.025 0.000 1.040 389 T CA 1.204 63.290 62.100 -0.023 0.000 1.141 389 T CB -0.165 68.677 68.868 -0.045 0.000 0.868 389 T HN 0.229 nan 8.240 nan 0.000 0.444 390 M N 0.937 120.524 119.600 -0.022 0.000 2.159 390 M HA -0.089 4.391 4.480 -0.000 0.000 0.263 390 M C 2.346 178.644 176.300 -0.004 0.000 1.063 390 M CA 1.584 56.870 55.300 -0.022 0.000 1.110 390 M CB -0.153 32.437 32.600 -0.017 0.000 1.374 390 M HN 0.094 nan 8.290 nan 0.000 0.411 391 K N 0.234 120.637 120.400 0.005 0.000 2.032 391 K HA -0.233 4.087 4.320 -0.000 0.000 0.209 391 K C 1.895 178.506 176.600 0.019 0.000 1.048 391 K CA 1.613 57.909 56.287 0.016 0.000 0.927 391 K CB -0.320 32.189 32.500 0.016 0.000 0.712 391 K HN 0.333 nan 8.250 nan 0.000 0.441 392 L N 1.800 123.030 121.223 0.011 0.000 2.056 392 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 392 L C 1.718 178.600 176.870 0.020 0.000 1.078 392 L CA 1.818 56.666 54.840 0.013 0.000 0.749 392 L CB -0.350 41.711 42.059 0.004 0.000 0.901 392 L HN 0.230 nan 8.230 nan 0.000 0.433 393 E N -0.629 119.577 120.200 0.010 0.000 2.150 393 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 393 E C 2.247 178.880 176.600 0.056 0.000 0.985 393 E CA 1.173 57.582 56.400 0.016 0.000 0.814 393 E CB -0.177 29.509 29.700 -0.022 0.000 0.752 393 E HN 0.516 nan 8.360 nan 0.000 0.466 394 L N 0.399 121.656 121.223 0.058 0.000 2.179 394 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 394 L C 2.528 179.488 176.870 0.151 0.000 1.096 394 L CA 0.600 55.514 54.840 0.124 0.000 0.779 394 L CB -0.327 41.784 42.059 0.086 0.000 0.922 394 L HN 0.131 nan 8.230 nan 0.000 0.443 395 A N -0.243 122.627 122.820 0.083 0.000 1.902 395 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 395 A C 2.207 179.823 177.584 0.053 0.000 1.181 395 A CA 1.455 53.525 52.037 0.054 0.000 0.623 395 A CB -0.398 18.622 19.000 0.034 0.000 0.818 395 A HN 0.440 nan 8.150 nan 0.000 0.443 396 Q N -2.109 117.733 119.800 0.070 0.000 2.167 396 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 396 Q C 1.959 178.021 176.000 0.102 0.000 0.970 396 Q CA 1.659 57.504 55.803 0.069 0.000 0.855 396 Q CB -0.321 28.457 28.738 0.065 0.000 0.911 396 Q HN 0.868 nan 8.270 nan 0.000 0.438 397 Y N 1.128 121.432 120.300 0.006 0.000 2.242 397 Y HA -0.135 4.415 4.550 -0.000 0.000 0.291 397 Y C 1.974 177.874 175.900 -0.001 0.000 1.137 397 Y CA 1.348 59.453 58.100 0.008 0.000 1.181 397 Y CB -0.007 38.454 38.460 0.002 0.000 0.989 397 Y HN -0.132 nan 8.280 nan 0.000 0.527 398 R N 0.356 120.744 120.500 -0.187 0.000 2.120 398 R HA -0.159 4.181 4.340 -0.000 0.000 0.234 398 R C 2.057 178.214 176.300 -0.238 0.000 1.123 398 R CA 1.778 57.708 56.100 -0.284 0.000 0.975 398 R CB -0.179 30.057 30.300 -0.108 0.000 0.866 398 R HN 0.551 nan 8.270 nan 0.000 0.446 399 E N -0.508 119.611 120.200 -0.135 0.000 2.204 399 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 399 E C 1.499 178.020 176.600 -0.132 0.000 0.989 399 E CA 0.945 57.284 56.400 -0.101 0.000 0.824 399 E CB 0.292 29.979 29.700 -0.022 0.000 0.756 399 E HN 0.113 nan 8.360 nan 0.000 0.477 400 V N 0.333 120.171 119.914 -0.126 0.000 3.621 400 V HA 0.104 4.224 4.120 -0.000 0.000 0.263 400 V C 1.955 177.909 176.094 -0.234 0.000 1.272 400 V CA 0.777 63.050 62.300 -0.044 0.000 1.080 400 V CB 0.421 32.350 31.823 0.177 0.000 0.816 400 V HN 0.225 nan 8.190 nan 0.000 0.451 401 A N 0.949 123.530 122.820 -0.400 0.000 2.009 401 A HA -0.296 4.024 4.320 -0.000 0.000 0.222 401 A C 2.275 179.681 177.584 -0.297 0.000 1.175 401 A CA 2.308 54.073 52.037 -0.454 0.000 0.651 401 A CB -0.548 18.052 19.000 -0.666 0.000 0.815 401 A HN 0.654 nan 8.150 nan 0.000 0.459 402 A N -1.817 120.728 122.820 -0.458 0.000 2.172 402 A HA 0.172 4.492 4.320 -0.000 0.000 0.216 402 A C 1.458 178.828 177.584 -0.356 0.000 1.154 402 A CA 1.122 52.882 52.037 -0.463 0.000 0.701 402 A CB -0.591 18.032 19.000 -0.629 0.000 0.789 402 A HN 0.496 nan 8.150 nan 0.000 0.465 403 F N -0.818 119.153 119.950 0.036 0.000 2.727 403 F HA 0.345 4.872 4.527 -0.000 0.000 0.302 403 F C 2.307 178.191 175.800 0.140 0.000 1.097 403 F CA -0.420 57.644 58.000 0.106 0.000 1.330 403 F CB -0.707 38.332 39.000 0.066 0.000 1.084 403 F HN 0.216 nan 8.300 nan 0.000 0.578 404 A N 0.295 123.250 122.820 0.225 0.000 1.896 404 A HA -0.275 4.045 4.320 -0.000 0.000 0.220 404 A C 1.955 179.635 177.584 0.159 0.000 1.206 404 A CA 2.000 54.145 52.037 0.181 0.000 0.647 404 A CB -0.703 18.382 19.000 0.142 0.000 0.828 404 A HN 0.485 nan 8.150 nan 0.000 0.455 405 Q N -2.609 117.309 119.800 0.196 0.000 2.204 405 Q HA 0.307 4.647 4.340 -0.000 0.000 0.209 405 Q C -0.993 174.868 176.000 -0.231 0.000 0.861 405 Q CA -0.150 55.657 55.803 0.006 0.000 0.971 405 Q CB 0.427 29.147 28.738 -0.030 0.000 1.095 405 Q HN 0.667 nan 8.270 nan 0.000 0.486 406 F N -0.425 119.588 119.950 0.106 0.000 2.505 406 F HA 0.335 4.862 4.527 -0.000 0.000 0.383 406 F C 0.434 176.310 175.800 0.126 0.000 1.509 406 F CA -0.621 57.448 58.000 0.115 0.000 1.101 406 F CB 1.519 40.604 39.000 0.142 0.000 1.367 406 F HN -0.096 nan 8.300 nan 0.000 0.523 407 G N -0.347 108.563 108.800 0.183 0.000 4.713 407 G HA2 0.351 4.311 3.960 -0.000 0.000 0.318 407 G HA3 0.351 4.311 3.960 -0.000 0.000 0.318 407 G C 0.377 175.299 174.900 0.038 0.000 1.435 407 G CA -0.199 44.963 45.100 0.104 0.000 0.965 407 G HN 0.228 nan 8.290 nan 0.000 0.542 408 S N 0.467 116.179 115.700 0.021 0.000 2.371 408 S HA -0.028 4.442 4.470 -0.000 0.000 0.221 408 S C 1.321 175.915 174.600 -0.010 0.000 1.036 408 S CA 0.525 58.725 58.200 0.001 0.000 0.965 408 S CB 0.162 63.361 63.200 -0.002 0.000 0.845 408 S HN 0.467 nan 8.310 nan 0.000 0.475 409 D N 1.562 121.950 120.400 -0.019 0.000 2.352 409 D HA 0.195 4.835 4.640 -0.000 0.000 0.236 409 D C 0.116 176.385 176.300 -0.052 0.000 1.148 409 D CA 0.067 54.048 54.000 -0.032 0.000 0.844 409 D CB -0.115 40.665 40.800 -0.034 0.000 0.933 409 D HN 0.321 nan 8.370 nan 0.000 0.507 410 L N 1.699 122.892 121.223 -0.050 0.000 2.482 410 L HA 0.002 4.342 4.340 -0.000 0.000 0.273 410 L C 1.121 177.966 176.870 -0.042 0.000 1.228 410 L CA 0.126 54.929 54.840 -0.062 0.000 0.827 410 L CB 0.451 42.491 42.059 -0.032 0.000 1.099 410 L HN 0.082 nan 8.230 nan 0.000 0.494 411 D N 1.031 121.406 120.400 -0.043 0.000 2.326 411 D HA 0.257 4.897 4.640 -0.000 0.000 0.251 411 D C 0.604 176.896 176.300 -0.013 0.000 1.023 411 D CA -0.095 53.889 54.000 -0.027 0.000 0.966 411 D CB 1.653 42.435 40.800 -0.030 0.000 1.156 411 D HN 0.525 nan 8.370 nan 0.000 0.494 412 A N 1.726 124.541 122.820 -0.009 0.000 1.884 412 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 412 A C 2.220 179.805 177.584 0.002 0.000 1.197 412 A CA 3.232 55.267 52.037 -0.004 0.000 0.637 412 A CB -1.325 17.672 19.000 -0.005 0.000 0.827 412 A HN 0.790 nan 8.150 nan 0.000 0.450 413 A N -0.501 122.320 122.820 0.001 0.000 1.841 413 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 413 A C 2.512 180.108 177.584 0.021 0.000 1.199 413 A CA 3.254 55.295 52.037 0.008 0.000 0.621 413 A CB -1.721 17.282 19.000 0.005 0.000 0.835 413 A HN 1.003 nan 8.150 nan 0.000 0.445 414 T N -2.501 112.067 114.554 0.022 0.000 2.849 414 T HA -0.235 4.115 4.350 -0.000 0.000 0.270 414 T C 1.871 176.610 174.700 0.064 0.000 1.066 414 T CA 1.794 63.923 62.100 0.048 0.000 1.130 414 T CB -0.360 68.528 68.868 0.033 0.000 0.864 414 T HN 0.565 nan 8.240 nan 0.000 0.481 415 Q N 0.106 119.930 119.800 0.040 0.000 2.230 415 Q HA -0.073 4.267 4.340 -0.000 0.000 0.202 415 Q C 2.449 178.474 176.000 0.042 0.000 0.963 415 Q CA 1.117 56.947 55.803 0.045 0.000 0.866 415 Q CB -0.103 28.649 28.738 0.024 0.000 0.931 415 Q HN 0.589 nan 8.270 nan 0.000 0.452 416 Q N 0.194 120.011 119.800 0.029 0.000 2.172 416 Q HA -0.064 4.276 4.340 -0.000 0.000 0.200 416 Q C 1.655 177.670 176.000 0.025 0.000 0.964 416 Q CA 1.202 57.014 55.803 0.015 0.000 0.855 416 Q CB -0.087 28.652 28.738 0.002 0.000 0.918 416 Q HN 0.446 nan 8.270 nan 0.000 0.444 417 L N -0.395 120.861 121.223 0.055 0.000 2.093 417 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 417 L C 2.270 179.227 176.870 0.144 0.000 1.085 417 L CA 0.787 55.680 54.840 0.088 0.000 0.755 417 L CB -0.417 41.709 42.059 0.112 0.000 0.904 417 L HN 0.277 nan 8.230 nan 0.000 0.435 418 L N -0.984 120.337 121.223 0.164 0.000 2.017 418 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 418 L C 2.715 179.629 176.870 0.074 0.000 1.073 418 L CA 1.258 56.234 54.840 0.226 0.000 0.745 418 L CB -0.317 41.855 42.059 0.189 0.000 0.894 418 L HN 0.210 nan 8.230 nan 0.000 0.432 419 S N -0.782 114.930 115.700 0.021 0.000 2.383 419 S HA -0.180 4.290 4.470 -0.000 0.000 0.227 419 S C 1.963 176.506 174.600 -0.095 0.000 1.026 419 S CA 1.045 59.224 58.200 -0.035 0.000 0.981 419 S CB -0.171 63.015 63.200 -0.023 0.000 0.818 419 S HN 0.258 nan 8.310 nan 0.000 0.472 420 R N 1.755 122.201 120.500 -0.089 0.000 2.070 420 R HA -0.005 4.335 4.340 -0.000 0.000 0.233 420 R C 2.309 178.474 176.300 -0.226 0.000 1.137 420 R CA 1.998 58.022 56.100 -0.127 0.000 0.945 420 R CB -1.391 28.856 30.300 -0.089 0.000 0.845 420 R HN 0.347 nan 8.270 nan 0.000 0.430 421 G N 0.122 108.717 108.800 -0.342 0.000 2.459 421 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 421 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 421 G C 1.496 175.820 174.900 -0.961 0.000 1.183 421 G CA 1.708 46.305 45.100 -0.838 0.000 0.776 421 G HN 0.366 nan 8.290 nan 0.000 0.552 422 V N -0.859 118.614 119.914 -0.734 0.000 2.469 422 V HA -0.142 3.978 4.120 -0.000 0.000 0.251 422 V C 2.578 178.532 176.094 -0.233 0.000 1.064 422 V CA 2.248 64.325 62.300 -0.371 0.000 1.066 422 V CB -0.648 31.095 31.823 -0.133 0.000 0.667 422 V HN 0.354 nan 8.190 nan 0.000 0.461 423 R N -0.022 120.347 120.500 -0.217 0.000 2.080 423 R HA 0.266 4.606 4.340 -0.000 0.000 0.222 423 R C 2.410 178.628 176.300 -0.136 0.000 1.107 423 R CA 1.281 57.293 56.100 -0.146 0.000 0.980 423 R CB -0.402 29.819 30.300 -0.132 0.000 0.879 423 R HN 0.433 nan 8.270 nan 0.000 0.439 424 L N 0.314 121.435 121.223 -0.170 0.000 2.131 424 L HA -0.157 4.182 4.340 -0.000 0.000 0.210 424 L C 2.173 178.983 176.870 -0.100 0.000 1.092 424 L CA 1.235 56.001 54.840 -0.124 0.000 0.759 424 L CB -0.566 41.418 42.059 -0.125 0.000 0.903 424 L HN 0.234 nan 8.230 nan 0.000 0.435 425 T N -1.023 113.446 114.554 -0.141 0.000 2.788 425 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 425 T C 1.772 176.444 174.700 -0.047 0.000 1.044 425 T CA 1.047 63.099 62.100 -0.081 0.000 1.139 425 T CB -0.077 68.736 68.868 -0.092 0.000 0.867 425 T HN 0.300 nan 8.240 nan 0.000 0.454 426 E N 1.209 121.376 120.200 -0.055 0.000 2.106 426 E HA 0.029 4.379 4.350 -0.000 0.000 0.192 426 E C 2.129 178.722 176.600 -0.012 0.000 0.984 426 E CA 0.647 57.031 56.400 -0.026 0.000 0.806 426 E CB -0.336 29.350 29.700 -0.022 0.000 0.750 426 E HN 0.481 nan 8.360 nan 0.000 0.458 427 L N 0.473 121.686 121.223 -0.018 0.000 2.551 427 L HA -0.032 4.308 4.340 -0.000 0.000 0.228 427 L C 2.078 178.949 176.870 0.002 0.000 1.153 427 L CA 0.273 55.114 54.840 0.001 0.000 0.851 427 L CB -0.124 41.933 42.059 -0.004 0.000 0.959 427 L HN 0.039 nan 8.230 nan 0.000 0.451 428 L N -0.987 120.232 121.223 -0.007 0.000 2.554 428 L HA 0.088 4.428 4.340 -0.000 0.000 0.225 428 L C 0.882 177.749 176.870 -0.005 0.000 1.104 428 L CA 0.028 54.867 54.840 -0.002 0.000 0.866 428 L CB 0.050 42.110 42.059 0.002 0.000 1.047 428 L HN 0.134 nan 8.230 nan 0.000 0.468 429 K N 1.130 121.524 120.400 -0.010 0.000 2.276 429 K HA 0.197 4.517 4.320 -0.000 0.000 0.259 429 K C -0.124 176.464 176.600 -0.019 0.000 1.001 429 K CA 0.331 56.605 56.287 -0.022 0.000 0.927 429 K CB 0.607 33.092 32.500 -0.025 0.000 0.969 429 K HN -0.046 nan 8.250 nan 0.000 0.490 430 Q N -0.067 119.712 119.800 -0.033 0.000 2.468 430 Q HA 0.282 4.622 4.340 -0.000 0.000 0.263 430 Q C -1.084 174.886 176.000 -0.050 0.000 0.979 430 Q CA -0.563 55.221 55.803 -0.031 0.000 0.932 430 Q CB 1.662 30.384 28.738 -0.027 0.000 1.462 430 Q HN 0.795 nan 8.270 nan 0.000 0.403 431 G N 1.702 110.477 108.800 -0.042 0.000 2.599 431 G HA2 0.249 4.209 3.960 -0.000 0.000 0.264 431 G HA3 0.249 4.209 3.960 -0.000 0.000 0.264 431 G C -0.574 174.271 174.900 -0.092 0.000 1.200 431 G CA -0.225 44.843 45.100 -0.053 0.000 0.896 431 G HN 0.590 nan 8.290 nan 0.000 0.536 432 Q N -1.199 118.508 119.800 -0.155 0.000 2.368 432 Q HA 0.244 4.584 4.340 -0.000 0.000 0.237 432 Q C -0.515 175.338 176.000 -0.245 0.000 0.987 432 Q CA -0.237 55.336 55.803 -0.384 0.000 0.896 432 Q CB 0.540 28.821 28.738 -0.763 0.000 1.241 432 Q HN 0.544 nan 8.270 nan 0.000 0.485 433 Y N -1.310 118.983 120.300 -0.011 0.000 4.177 433 Y HA -0.261 4.289 4.550 -0.000 0.000 0.227 433 Y C -0.174 175.714 175.900 -0.020 0.000 1.154 433 Y CA 0.842 58.931 58.100 -0.017 0.000 1.887 433 Y CB -2.555 35.894 38.460 -0.019 0.000 1.594 433 Y HN 0.447 nan 8.280 nan 0.000 0.668 434 S N -1.781 113.954 115.700 0.058 0.000 2.512 434 S HA 0.429 4.899 4.470 -0.000 0.000 0.161 434 S C -2.518 172.082 174.600 -0.001 0.000 1.383 434 S CA -1.126 57.092 58.200 0.030 0.000 1.248 434 S CB 1.486 64.701 63.200 0.026 0.000 1.488 434 S HN 0.071 nan 8.310 nan 0.000 0.382 435 P HA 0.202 nan 4.420 nan 0.000 0.266 435 P C -0.486 176.799 177.300 -0.025 0.000 1.195 435 P CA 0.067 63.159 63.100 -0.012 0.000 0.768 435 P CB 0.455 32.151 31.700 -0.008 0.000 0.838 436 M N 1.467 121.054 119.600 -0.021 0.000 2.472 436 M HA 0.533 5.013 4.480 -0.000 0.000 0.331 436 M C 0.564 176.846 176.300 -0.029 0.000 1.170 436 M CA -0.973 54.310 55.300 -0.028 0.000 1.009 436 M CB 1.919 34.509 32.600 -0.016 0.000 1.672 436 M HN 0.306 nan 8.290 nan 0.000 0.453 437 A N 2.131 124.923 122.820 -0.047 0.000 2.466 437 A HA 0.165 4.485 4.320 -0.000 0.000 0.238 437 A C 1.122 178.704 177.584 -0.003 0.000 1.074 437 A CA -0.389 51.625 52.037 -0.039 0.000 0.774 437 A CB 0.164 19.128 19.000 -0.060 0.000 1.015 437 A HN 0.951 nan 8.150 nan 0.000 0.498 438 I N 0.555 121.141 120.570 0.026 0.000 2.286 438 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 438 I C 1.949 178.072 176.117 0.011 0.000 1.115 438 I CA 1.847 63.164 61.300 0.028 0.000 1.392 438 I CB -0.996 37.030 38.000 0.043 0.000 1.065 438 I HN 0.840 nan 8.210 nan 0.000 0.418 439 E N 0.526 120.725 120.200 -0.002 0.000 2.153 439 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 439 E C 1.969 178.558 176.600 -0.018 0.000 0.988 439 E CA 1.105 57.495 56.400 -0.016 0.000 0.811 439 E CB -0.225 29.456 29.700 -0.031 0.000 0.746 439 E HN 0.550 nan 8.360 nan 0.000 0.466 440 E N 0.828 121.014 120.200 -0.024 0.000 2.072 440 E HA -0.157 4.193 4.350 -0.000 0.000 0.190 440 E C 2.147 178.754 176.600 0.012 0.000 0.982 440 E CA 0.913 57.297 56.400 -0.027 0.000 0.803 440 E CB -0.075 29.597 29.700 -0.047 0.000 0.755 440 E HN 0.327 nan 8.360 nan 0.000 0.453 441 Q N 0.468 120.278 119.800 0.016 0.000 2.061 441 Q HA -0.163 4.176 4.340 -0.000 0.000 0.204 441 Q C 2.658 178.689 176.000 0.052 0.000 0.984 441 Q CA 1.998 57.820 55.803 0.031 0.000 0.846 441 Q CB -0.404 28.349 28.738 0.025 0.000 0.902 441 Q HN 0.344 nan 8.270 nan 0.000 0.421 442 V N -1.510 118.433 119.914 0.049 0.000 2.427 442 V HA -0.103 4.017 4.120 -0.000 0.000 0.248 442 V C 2.195 178.357 176.094 0.113 0.000 1.051 442 V CA 1.657 64.000 62.300 0.072 0.000 1.048 442 V CB -1.053 30.798 31.823 0.048 0.000 0.666 442 V HN 0.277 nan 8.190 nan 0.000 0.456 443 A N 1.187 124.062 122.820 0.093 0.000 1.908 443 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 443 A C 2.528 180.263 177.584 0.251 0.000 1.181 443 A CA 2.854 54.982 52.037 0.151 0.000 0.627 443 A CB -1.051 18.012 19.000 0.105 0.000 0.818 443 A HN 1.282 nan 8.150 nan 0.000 0.445 444 V N -1.912 118.129 119.914 0.211 0.000 2.591 444 V HA -0.093 4.027 4.120 -0.000 0.000 0.249 444 V C 2.125 178.292 176.094 0.122 0.000 1.053 444 V CA 1.845 64.262 62.300 0.195 0.000 1.068 444 V CB -0.608 31.314 31.823 0.164 0.000 0.689 444 V HN 0.464 nan 8.190 nan 0.000 0.462 445 I N -0.880 119.755 120.570 0.109 0.000 2.353 445 I HA -0.119 4.050 4.170 -0.000 0.000 0.248 445 I C 2.501 178.655 176.117 0.062 0.000 1.119 445 I CA 2.040 63.379 61.300 0.064 0.000 1.417 445 I CB -0.382 37.652 38.000 0.056 0.000 1.078 445 I HN 0.419 nan 8.210 nan 0.000 0.421 446 Y N 1.732 122.035 120.300 0.004 0.000 2.145 446 Y HA -0.314 4.236 4.550 -0.000 0.000 0.286 446 Y C 2.558 178.420 175.900 -0.064 0.000 1.145 446 Y CA 1.527 59.618 58.100 -0.015 0.000 1.148 446 Y CB -0.385 38.093 38.460 0.030 0.000 0.981 446 Y HN 0.131 nan 8.280 nan 0.000 0.507 447 A N 0.205 123.112 122.820 0.145 0.000 1.869 447 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 447 A C 2.510 179.979 177.584 -0.190 0.000 1.203 447 A CA 2.303 54.381 52.037 0.069 0.000 0.638 447 A CB -1.812 17.256 19.000 0.114 0.000 0.831 447 A HN 0.605 nan 8.150 nan 0.000 0.450 448 G N -1.329 107.395 108.800 -0.127 0.000 2.418 448 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.217 448 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.217 448 G C 1.571 176.333 174.900 -0.231 0.000 1.158 448 G CA 1.126 46.130 45.100 -0.160 0.000 0.771 448 G HN 0.496 nan 8.290 nan 0.000 0.545 449 V N 0.542 120.306 119.914 -0.250 0.000 2.759 449 V HA 0.009 4.129 4.120 -0.000 0.000 0.256 449 V C 2.272 178.131 176.094 -0.392 0.000 1.080 449 V CA 1.263 63.399 62.300 -0.275 0.000 1.101 449 V CB -0.289 31.395 31.823 -0.232 0.000 0.698 449 V HN 0.213 nan 8.190 nan 0.000 0.477 450 R N -0.033 120.107 120.500 -0.600 0.000 2.359 450 R HA 0.303 4.643 4.340 -0.000 0.000 0.231 450 R C 1.522 177.432 176.300 -0.650 0.000 0.913 450 R CA 0.560 56.230 56.100 -0.718 0.000 1.075 450 R CB -0.449 29.215 30.300 -1.060 0.000 1.087 450 R HN 0.547 nan 8.270 nan 0.000 0.515 451 G N 1.187 109.713 108.800 -0.457 0.000 2.160 451 G HA2 -0.324 3.635 3.960 -0.000 0.000 0.251 451 G HA3 -0.324 3.635 3.960 -0.000 0.000 0.251 451 G C 0.257 175.050 174.900 -0.179 0.000 1.008 451 G CA 0.307 45.242 45.100 -0.274 0.000 0.724 451 G HN 0.316 nan 8.290 nan 0.000 0.514 452 Y N -0.555 119.673 120.300 -0.120 0.000 2.571 452 Y HA 0.278 4.828 4.550 -0.000 0.000 0.294 452 Y C 2.410 178.206 175.900 -0.172 0.000 1.141 452 Y CA 0.890 58.919 58.100 -0.118 0.000 1.308 452 Y CB -0.012 38.389 38.460 -0.098 0.000 1.002 452 Y HN 0.447 nan 8.280 nan 0.000 0.551 453 L N -1.035 120.140 121.223 -0.079 0.000 2.959 453 L HA 0.189 4.528 4.340 -0.000 0.000 0.259 453 L C 0.826 177.613 176.870 -0.138 0.000 1.185 453 L CA -0.054 54.679 54.840 -0.179 0.000 0.998 453 L CB 0.225 42.132 42.059 -0.254 0.000 1.337 453 L HN -0.110 nan 8.230 nan 0.000 0.555 454 D N 1.405 121.745 120.400 -0.100 0.000 2.263 454 D HA -0.140 4.500 4.640 -0.000 0.000 0.208 454 D C 1.768 178.028 176.300 -0.067 0.000 0.971 454 D CA 1.278 55.228 54.000 -0.084 0.000 0.867 454 D CB 0.238 40.995 40.800 -0.072 0.000 0.929 454 D HN 0.324 nan 8.370 nan 0.000 0.492 455 K N -0.422 119.940 120.400 -0.064 0.000 2.356 455 K HA 0.081 4.401 4.320 -0.000 0.000 0.195 455 K C 0.582 177.150 176.600 -0.054 0.000 1.037 455 K CA -0.422 55.836 56.287 -0.048 0.000 1.014 455 K CB 0.550 33.029 32.500 -0.034 0.000 0.815 455 K HN 0.020 nan 8.250 nan 0.000 0.507 456 L N 2.407 123.578 121.223 -0.087 0.000 2.426 456 L HA 0.043 4.383 4.340 -0.000 0.000 0.271 456 L C 0.122 176.963 176.870 -0.049 0.000 1.169 456 L CA 0.171 54.960 54.840 -0.085 0.000 0.836 456 L CB 0.589 42.533 42.059 -0.192 0.000 1.112 456 L HN 0.040 nan 8.230 nan 0.000 0.465 457 E N 6.464 126.659 120.200 -0.008 0.000 2.324 457 E HA 0.065 4.414 4.350 -0.000 0.000 0.271 457 E C -1.733 174.873 176.600 0.010 0.000 1.028 457 E CA -1.433 54.970 56.400 0.005 0.000 0.890 457 E CB 1.046 30.759 29.700 0.021 0.000 1.004 457 E HN 0.529 nan 8.360 nan 0.000 0.431 458 P HA -0.277 nan 4.420 nan 0.000 0.217 458 P C 1.287 178.600 177.300 0.021 0.000 1.158 458 P CA 1.903 65.000 63.100 -0.005 0.000 0.887 458 P CB -0.013 31.682 31.700 -0.008 0.000 0.792 459 S N -1.407 114.314 115.700 0.035 0.000 2.507 459 S HA -0.077 4.393 4.470 -0.000 0.000 0.235 459 S C 1.567 176.219 174.600 0.086 0.000 0.988 459 S CA 0.890 59.120 58.200 0.049 0.000 0.944 459 S CB -0.788 62.437 63.200 0.042 0.000 0.762 459 S HN 0.228 nan 8.310 nan 0.000 0.526 460 K N 0.256 120.726 120.400 0.116 0.000 2.361 460 K HA 0.377 4.697 4.320 -0.000 0.000 0.194 460 K C 1.558 178.295 176.600 0.228 0.000 1.032 460 K CA 0.175 56.596 56.287 0.223 0.000 1.048 460 K CB -0.091 32.600 32.500 0.319 0.000 0.842 460 K HN 0.370 nan 8.250 nan 0.000 0.526 461 I N 1.131 121.773 120.570 0.120 0.000 2.151 461 I HA -0.336 3.834 4.170 -0.000 0.000 0.243 461 I C 2.135 178.338 176.117 0.143 0.000 1.080 461 I CA 1.416 62.778 61.300 0.104 0.000 1.339 461 I CB -0.560 37.458 38.000 0.030 0.000 1.039 461 I HN 0.145 nan 8.210 nan 0.000 0.409 462 T N 0.528 115.146 114.554 0.107 0.000 2.665 462 T HA -0.288 4.062 4.350 -0.000 0.000 0.268 462 T C 1.972 176.739 174.700 0.111 0.000 1.035 462 T CA 1.903 64.055 62.100 0.088 0.000 1.151 462 T CB -0.228 68.679 68.868 0.065 0.000 0.862 462 T HN 0.340 nan 8.240 nan 0.000 0.438 463 K N -0.253 120.252 120.400 0.174 0.000 2.097 463 K HA -0.086 4.234 4.320 -0.000 0.000 0.205 463 K C 2.144 178.853 176.600 0.183 0.000 1.050 463 K CA 1.106 57.535 56.287 0.236 0.000 0.938 463 K CB -0.309 32.409 32.500 0.362 0.000 0.718 463 K HN 0.364 nan 8.250 nan 0.000 0.442 464 F N 2.316 122.188 119.950 -0.130 0.000 2.102 464 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 464 F C 2.267 177.974 175.800 -0.155 0.000 1.105 464 F CA 1.946 59.623 58.000 -0.538 0.000 1.239 464 F CB -0.296 38.307 39.000 -0.661 0.000 0.991 464 F HN 0.155 nan 8.300 nan 0.000 0.474 465 E N 0.112 120.262 120.200 -0.082 0.000 2.085 465 E HA -0.318 4.031 4.350 -0.000 0.000 0.194 465 E C 2.024 178.573 176.600 -0.084 0.000 0.994 465 E CA 1.485 57.839 56.400 -0.077 0.000 0.801 465 E CB -0.409 29.326 29.700 0.058 0.000 0.743 465 E HN 0.559 nan 8.360 nan 0.000 0.453 466 N N 0.291 118.968 118.700 -0.037 0.000 2.025 466 N HA -0.206 4.534 4.740 -0.000 0.000 0.194 466 N C 1.758 177.250 175.510 -0.031 0.000 1.044 466 N CA 2.371 55.414 53.050 -0.012 0.000 0.851 466 N CB -0.385 38.127 38.487 0.041 0.000 1.036 466 N HN 0.203 nan 8.380 nan 0.000 0.422 467 A N -0.423 122.404 122.820 0.012 0.000 1.908 467 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 467 A C 2.219 179.762 177.584 -0.068 0.000 1.181 467 A CA 1.486 53.591 52.037 0.113 0.000 0.627 467 A CB -1.311 17.905 19.000 0.361 0.000 0.818 467 A HN 0.557 nan 8.150 nan 0.000 0.445 468 F N 0.083 119.658 119.950 -0.625 0.000 2.126 468 F HA -0.157 4.370 4.527 -0.000 0.000 0.299 468 F C 1.788 177.270 175.800 -0.531 0.000 1.096 468 F CA 1.598 58.965 58.000 -1.055 0.000 1.255 468 F CB -0.331 37.876 39.000 -1.322 0.000 0.997 468 F HN 0.166 nan 8.300 nan 0.000 0.479 469 L N 0.173 121.123 121.223 -0.455 0.000 2.093 469 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 469 L C 2.562 179.245 176.870 -0.312 0.000 1.085 469 L CA 1.932 56.519 54.840 -0.422 0.000 0.755 469 L CB -1.400 40.542 42.059 -0.194 0.000 0.904 469 L HN 0.175 nan 8.230 nan 0.000 0.435 470 S N -1.587 114.003 115.700 -0.182 0.000 2.356 470 S HA -0.262 4.208 4.470 -0.000 0.000 0.223 470 S C 1.935 176.490 174.600 -0.075 0.000 1.032 470 S CA 1.346 59.493 58.200 -0.090 0.000 1.005 470 S CB -0.597 62.598 63.200 -0.008 0.000 0.867 470 S HN 0.606 nan 8.310 nan 0.000 0.449 471 H N 2.193 121.140 119.070 -0.205 0.000 2.290 471 H HA -0.091 4.465 4.556 -0.000 0.000 0.298 471 H C 2.160 177.388 175.328 -0.167 0.000 1.087 471 H CA 2.180 58.138 56.048 -0.149 0.000 1.291 471 H CB -0.703 28.945 29.762 -0.188 0.000 1.369 471 H HN 0.248 nan 8.280 nan 0.000 0.492 472 V N -1.003 118.605 119.914 -0.510 0.000 2.427 472 V HA -0.117 4.003 4.120 -0.000 0.000 0.248 472 V C 2.472 178.404 176.094 -0.270 0.000 1.051 472 V CA 1.893 63.921 62.300 -0.453 0.000 1.048 472 V CB -0.795 30.647 31.823 -0.635 0.000 0.666 472 V HN 0.434 nan 8.190 nan 0.000 0.456 473 I N 0.885 121.307 120.570 -0.247 0.000 2.315 473 I HA -0.160 4.010 4.170 -0.000 0.000 0.248 473 I C 2.855 178.894 176.117 -0.131 0.000 1.117 473 I CA 1.771 62.973 61.300 -0.163 0.000 1.404 473 I CB -0.437 37.481 38.000 -0.137 0.000 1.071 473 I HN 0.442 nan 8.210 nan 0.000 0.419 474 S N 0.424 116.050 115.700 -0.124 0.000 2.329 474 S HA -0.168 4.302 4.470 -0.000 0.000 0.215 474 S C 1.898 176.416 174.600 -0.137 0.000 1.031 474 S CA 1.311 59.457 58.200 -0.090 0.000 0.985 474 S CB -0.065 63.120 63.200 -0.025 0.000 0.917 474 S HN 0.419 nan 8.310 nan 0.000 0.441 475 Q N -1.030 118.641 119.800 -0.215 0.000 2.392 475 Q HA 0.121 4.461 4.340 -0.000 0.000 0.203 475 Q C -0.196 175.432 176.000 -0.622 0.000 0.917 475 Q CA 0.370 55.950 55.803 -0.372 0.000 0.939 475 Q CB 0.344 28.845 28.738 -0.396 0.000 1.063 475 Q HN 0.657 nan 8.270 nan 0.000 0.516 476 H N -0.624 118.293 119.070 -0.254 0.000 2.779 476 H HA 0.160 4.716 4.556 -0.000 0.000 0.230 476 H C 0.617 175.846 175.328 -0.165 0.000 1.365 476 H CA -0.209 55.715 56.048 -0.206 0.000 1.086 476 H CB 0.655 30.264 29.762 -0.255 0.000 2.038 476 H HN -0.010 nan 8.280 nan 0.000 0.558 477 Q N 0.475 120.228 119.800 -0.079 0.000 2.226 477 Q HA -0.079 4.261 4.340 -0.000 0.000 0.204 477 Q C 2.197 178.168 176.000 -0.048 0.000 0.975 477 Q CA 1.067 56.829 55.803 -0.068 0.000 0.866 477 Q CB 0.097 28.791 28.738 -0.073 0.000 0.915 477 Q HN 0.651 nan 8.270 nan 0.000 0.440 478 A N 1.106 123.902 122.820 -0.039 0.000 1.858 478 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 478 A C 2.084 179.659 177.584 -0.016 0.000 1.190 478 A CA 1.075 53.097 52.037 -0.025 0.000 0.617 478 A CB -0.789 18.200 19.000 -0.019 0.000 0.827 478 A HN 0.366 nan 8.150 nan 0.000 0.443 479 L N -0.354 120.872 121.223 0.004 0.000 1.989 479 L HA -0.177 4.163 4.340 -0.000 0.000 0.211 479 L C 2.539 179.382 176.870 -0.044 0.000 1.071 479 L CA 1.996 56.826 54.840 -0.017 0.000 0.749 479 L CB -0.661 41.385 42.059 -0.022 0.000 0.890 479 L HN 0.459 nan 8.230 nan 0.000 0.431 480 L N -0.572 120.620 121.223 -0.052 0.000 2.083 480 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 480 L C 2.618 179.459 176.870 -0.049 0.000 1.083 480 L CA 1.240 56.043 54.840 -0.062 0.000 0.752 480 L CB -1.056 40.956 42.059 -0.078 0.000 0.899 480 L HN 0.373 nan 8.230 nan 0.000 0.433 481 G N -0.110 108.665 108.800 -0.042 0.000 2.418 481 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 481 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 481 G C 1.708 176.590 174.900 -0.031 0.000 1.158 481 G CA 0.572 45.651 45.100 -0.035 0.000 0.771 481 G HN 0.298 nan 8.290 nan 0.000 0.545 482 K N -0.096 120.285 120.400 -0.032 0.000 2.057 482 K HA 0.103 4.423 4.320 -0.000 0.000 0.206 482 K C 2.423 179.001 176.600 -0.037 0.000 1.050 482 K CA 0.746 57.015 56.287 -0.031 0.000 0.935 482 K CB -0.227 32.255 32.500 -0.030 0.000 0.715 482 K HN 0.315 nan 8.250 nan 0.000 0.439 483 I N 0.747 121.289 120.570 -0.047 0.000 2.315 483 I HA -0.320 3.850 4.170 -0.000 0.000 0.251 483 I C 2.610 178.705 176.117 -0.036 0.000 1.125 483 I CA 1.168 62.437 61.300 -0.053 0.000 1.392 483 I CB -0.256 37.706 38.000 -0.064 0.000 1.065 483 I HN 0.182 nan 8.210 nan 0.000 0.424 484 R N 0.511 120.993 120.500 -0.030 0.000 2.065 484 R HA -0.122 4.218 4.340 -0.000 0.000 0.224 484 R C 2.443 178.732 176.300 -0.018 0.000 1.161 484 R CA 2.229 58.317 56.100 -0.020 0.000 0.923 484 R CB -0.443 29.847 30.300 -0.018 0.000 0.822 484 R HN 0.208 nan 8.270 nan 0.000 0.437 485 T N 1.441 115.984 114.554 -0.018 0.000 2.597 485 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 485 T C 1.306 175.996 174.700 -0.016 0.000 1.053 485 T CA 1.851 63.941 62.100 -0.016 0.000 1.165 485 T CB -0.510 68.348 68.868 -0.016 0.000 0.863 485 T HN 0.343 nan 8.240 nan 0.000 0.427 486 D N 0.680 121.068 120.400 -0.020 0.000 2.218 486 D HA 0.017 4.657 4.640 -0.000 0.000 0.204 486 D C 1.534 177.823 176.300 -0.018 0.000 0.976 486 D CA 1.167 55.155 54.000 -0.019 0.000 0.853 486 D CB -0.509 40.276 40.800 -0.024 0.000 0.939 486 D HN 0.592 nan 8.370 nan 0.000 0.481 487 G N 1.725 110.513 108.800 -0.020 0.000 2.298 487 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.287 487 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.287 487 G C -0.008 174.881 174.900 -0.018 0.000 1.075 487 G CA 1.023 46.113 45.100 -0.017 0.000 0.960 487 G HN 0.571 nan 8.290 nan 0.000 0.502 488 K N -2.311 118.073 120.400 -0.028 0.000 3.957 488 K HA 0.338 4.658 4.320 -0.000 0.000 0.464 488 K C -1.077 175.483 176.600 -0.067 0.000 1.065 488 K CA -1.249 55.018 56.287 -0.034 0.000 0.865 488 K CB 0.220 32.709 32.500 -0.018 0.000 1.556 488 K HN 0.285 nan 8.250 nan 0.000 0.597 489 I N 3.013 123.523 120.570 -0.101 0.000 2.337 489 I HA 0.172 4.342 4.170 -0.000 0.000 0.285 489 I C 0.435 176.483 176.117 -0.116 0.000 1.041 489 I CA -0.471 60.719 61.300 -0.184 0.000 1.199 489 I CB 1.405 39.135 38.000 -0.450 0.000 1.370 489 I HN 0.762 nan 8.210 nan 0.000 0.470 490 S N 3.933 119.587 115.700 -0.076 0.000 2.633 490 S HA 0.192 4.662 4.470 -0.000 0.000 0.257 490 S C 1.012 175.599 174.600 -0.021 0.000 1.265 490 S CA -0.421 57.758 58.200 -0.034 0.000 0.980 490 S CB 0.838 64.023 63.200 -0.025 0.000 1.017 490 S HN 0.629 nan 8.310 nan 0.000 0.577 491 E N 0.496 120.699 120.200 0.004 0.000 2.110 491 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 491 E C 2.101 178.711 176.600 0.015 0.000 0.988 491 E CA 1.342 57.756 56.400 0.023 0.000 0.804 491 E CB -0.155 29.560 29.700 0.025 0.000 0.745 491 E HN 0.689 nan 8.360 nan 0.000 0.458 492 E N 0.497 120.699 120.200 0.002 0.000 2.031 492 E HA -0.135 4.214 4.350 -0.000 0.000 0.193 492 E C 2.301 178.894 176.600 -0.012 0.000 0.994 492 E CA 0.896 57.296 56.400 -0.001 0.000 0.800 492 E CB -0.062 29.636 29.700 -0.004 0.000 0.752 492 E HN 0.024 nan 8.360 nan 0.000 0.447 493 S N 0.809 116.488 115.700 -0.035 0.000 2.370 493 S HA -0.201 4.269 4.470 -0.000 0.000 0.226 493 S C 1.660 176.219 174.600 -0.067 0.000 1.033 493 S CA 1.525 59.686 58.200 -0.064 0.000 1.011 493 S CB -0.284 62.854 63.200 -0.103 0.000 0.852 493 S HN 0.279 nan 8.310 nan 0.000 0.457 494 D N 1.302 121.669 120.400 -0.054 0.000 2.117 494 D HA -0.051 4.589 4.640 -0.000 0.000 0.197 494 D C 1.970 178.321 176.300 0.086 0.000 0.987 494 D CA 1.408 55.427 54.000 0.031 0.000 0.829 494 D CB -0.378 40.497 40.800 0.126 0.000 0.961 494 D HN 0.312 nan 8.370 nan 0.000 0.460 495 A N 0.148 122.999 122.820 0.050 0.000 1.902 495 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 495 A C 2.185 179.776 177.584 0.012 0.000 1.181 495 A CA 2.113 54.173 52.037 0.038 0.000 0.623 495 A CB -0.677 18.340 19.000 0.029 0.000 0.818 495 A HN 0.228 nan 8.150 nan 0.000 0.443 496 K N -0.266 120.134 120.400 0.000 0.000 2.097 496 K HA -0.010 4.310 4.320 -0.000 0.000 0.206 496 K C 1.798 178.372 176.600 -0.042 0.000 1.049 496 K CA 1.255 57.530 56.287 -0.019 0.000 0.933 496 K CB -0.413 32.073 32.500 -0.022 0.000 0.717 496 K HN 0.476 nan 8.250 nan 0.000 0.442 497 L N 0.364 121.578 121.223 -0.014 0.000 2.005 497 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 497 L C 2.509 179.353 176.870 -0.043 0.000 1.072 497 L CA 1.559 56.414 54.840 0.025 0.000 0.744 497 L CB -0.422 41.713 42.059 0.126 0.000 0.895 497 L HN 0.216 nan 8.230 nan 0.000 0.433 498 K N 0.256 120.588 120.400 -0.112 0.000 2.074 498 K HA -0.260 4.060 4.320 -0.000 0.000 0.209 498 K C 2.012 178.450 176.600 -0.270 0.000 1.048 498 K CA 2.032 58.061 56.287 -0.430 0.000 0.926 498 K CB -0.063 32.275 32.500 -0.270 0.000 0.713 498 K HN 0.479 nan 8.250 nan 0.000 0.444 499 E N 0.314 120.447 120.200 -0.111 0.000 2.152 499 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 499 E C 2.000 178.604 176.600 0.006 0.000 0.983 499 E CA 1.048 57.422 56.400 -0.044 0.000 0.818 499 E CB -0.233 29.464 29.700 -0.006 0.000 0.758 499 E HN 0.413 nan 8.360 nan 0.000 0.467 500 I N 1.266 121.836 120.570 0.001 0.000 2.233 500 I HA -0.193 3.976 4.170 -0.000 0.000 0.243 500 I C 2.668 178.904 176.117 0.199 0.000 1.093 500 I CA 0.762 62.115 61.300 0.090 0.000 1.380 500 I CB -0.096 37.885 38.000 -0.032 0.000 1.067 500 I HN 0.054 nan 8.210 nan 0.000 0.413 501 V N 0.820 120.790 119.914 0.094 0.000 2.358 501 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 501 V C 2.611 178.747 176.094 0.070 0.000 1.047 501 V CA 2.692 65.040 62.300 0.080 0.000 1.035 501 V CB -0.615 31.157 31.823 -0.085 0.000 0.658 501 V HN 0.675 nan 8.190 nan 0.000 0.452 502 T N -1.946 112.577 114.554 -0.052 0.000 2.867 502 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 502 T C 1.739 176.475 174.700 0.060 0.000 1.057 502 T CA 1.565 63.651 62.100 -0.024 0.000 1.136 502 T CB -0.541 68.281 68.868 -0.078 0.000 0.874 502 T HN 0.532 nan 8.240 nan 0.000 0.466 503 N N 0.263 119.025 118.700 0.104 0.000 2.290 503 N HA 0.113 4.853 4.740 -0.000 0.000 0.179 503 N C 1.454 177.072 175.510 0.180 0.000 1.016 503 N CA 0.625 53.747 53.050 0.120 0.000 0.871 503 N CB -0.345 38.211 38.487 0.114 0.000 0.987 503 N HN 0.409 nan 8.380 nan 0.000 0.431 504 F N 2.059 122.087 119.950 0.129 0.000 2.146 504 F HA -0.087 4.440 4.527 -0.000 0.000 0.298 504 F C 2.193 178.142 175.800 0.249 0.000 1.096 504 F CA 0.656 58.757 58.000 0.168 0.000 1.275 504 F CB -0.257 38.884 39.000 0.236 0.000 1.008 504 F HN -0.089 nan 8.300 nan 0.000 0.480 505 L N 0.833 122.332 121.223 0.461 0.000 2.017 505 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 505 L C 2.478 179.458 176.870 0.183 0.000 1.073 505 L CA 2.158 57.193 54.840 0.324 0.000 0.745 505 L CB -1.335 40.773 42.059 0.083 0.000 0.894 505 L HN 0.135 nan 8.230 nan 0.000 0.432 506 A N -0.452 122.430 122.820 0.103 0.000 1.908 506 A HA -0.119 4.200 4.320 -0.000 0.000 0.218 506 A C 2.335 179.934 177.584 0.025 0.000 1.181 506 A CA 1.728 53.796 52.037 0.051 0.000 0.627 506 A CB -1.665 17.354 19.000 0.031 0.000 0.818 506 A HN 0.561 nan 8.150 nan 0.000 0.445 507 G N -1.616 107.178 108.800 -0.010 0.000 2.402 507 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 507 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 507 G C 1.448 176.298 174.900 -0.083 0.000 1.162 507 G CA 1.033 46.085 45.100 -0.080 0.000 0.777 507 G HN 0.511 nan 8.290 nan 0.000 0.539 508 F N 1.225 121.047 119.950 -0.213 0.000 2.216 508 F HA 0.051 4.578 4.527 -0.000 0.000 0.300 508 F C 2.357 178.136 175.800 -0.036 0.000 1.085 508 F CA 1.512 59.437 58.000 -0.125 0.000 1.326 508 F CB 0.201 39.226 39.000 0.041 0.000 1.027 508 F HN 0.212 nan 8.300 nan 0.000 0.497 509 E N 0.416 120.641 120.200 0.042 0.000 2.479 509 E HA 0.183 4.533 4.350 -0.000 0.000 0.193 509 E C 1.130 177.680 176.600 -0.083 0.000 1.049 509 E CA 0.012 56.392 56.400 -0.035 0.000 0.870 509 E CB 0.029 29.758 29.700 0.048 0.000 0.944 509 E HN 0.394 nan 8.360 nan 0.000 0.492 510 A N 0.000 122.764 122.820 -0.093 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 51.989 52.037 -0.081 0.000 0.836 510 A CB 0.000 18.951 19.000 -0.081 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486