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 3n6d_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RXXXXXXXXX DATA SEQUENCE XXPAEQLLSQ ARDFINQYYS SIKRSGSQAH EERLQEVEAE VASTGTYHLR DATA SEQUENCE ESELVFGAKQ AWRNAPRCVG RIQWGKLQVF DARDCSSAQE MFTYICNHIK DATA SEQUENCE YATNRGNLRS AITVFPQRAP GRGDFRIWNS QLVRYAGYRQ QDGSVRGDPA DATA SEQUENCE NVEITELCIQ HGWTPGNGRF DVLPLLLQAP DEAPELFVLP PELVLEVPLE DATA SEQUENCE HPTLEWFAAL GLRWYALPAV SNMLLEIGGL EFSAAPFSGW YMSTEIGTRN DATA SEQUENCE LCDPSRYNIL EDVAVCMDLD TRTTSSLWKD KAAVEINLAV LHSFQLAKVT DATA SEQUENCE IVDHHAATVS FMKHLDNEQK ARGGCPADWA WIVPPISGSL TPVFHQEMVN DATA SEQUENCE YILSPAFRYQ PDPW 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 69 K HA 0.000 nan 4.320 nan 0.000 0.191 69 K C 0.000 176.440 176.600 -0.267 0.000 0.988 69 K CA 0.000 56.131 56.287 -0.260 0.000 0.838 69 K CB 0.000 32.228 32.500 -0.453 0.000 1.064 70 F N 5.243 125.195 119.950 0.005 0.000 2.413 70 F HA 0.365 4.892 4.527 0.001 0.000 0.359 70 F C -1.739 174.112 175.800 0.084 0.000 1.122 70 F CA -2.380 55.633 58.000 0.022 0.000 1.160 70 F CB 0.323 39.326 39.000 0.005 0.000 1.146 70 F HN -0.057 nan 8.300 nan 0.000 0.514 71 P HA -0.060 nan 4.420 nan 0.000 0.258 71 P C -0.127 177.299 177.300 0.209 0.000 1.187 71 P CA -0.003 63.212 63.100 0.192 0.000 0.767 71 P CB 0.393 32.182 31.700 0.149 0.000 0.770 72 R N 2.747 123.351 120.500 0.172 0.000 2.390 72 R HA 0.375 4.715 4.340 0.001 0.000 0.291 72 R C -1.001 175.247 176.300 -0.085 0.000 1.070 72 R CA -0.424 55.669 56.100 -0.012 0.000 1.014 72 R CB 0.564 30.888 30.300 0.040 0.000 1.007 72 R HN 0.240 nan 8.270 nan 0.000 0.466 73 V N 5.507 125.295 119.914 -0.210 0.000 2.398 73 V HA 0.243 4.364 4.120 0.001 0.000 0.282 73 V C -0.459 175.517 176.094 -0.196 0.000 1.014 73 V CA -0.751 61.477 62.300 -0.120 0.000 0.838 73 V CB 1.252 33.053 31.823 -0.038 0.000 1.018 73 V HN 0.753 nan 8.190 nan 0.000 0.432 74 K N 4.226 124.495 120.400 -0.219 0.000 2.130 74 K HA 0.411 4.732 4.320 0.001 0.000 0.268 74 K C -0.049 176.348 176.600 -0.339 0.000 0.983 74 K CA -0.538 55.527 56.287 -0.370 0.000 0.893 74 K CB 1.108 33.250 32.500 -0.597 0.000 1.066 74 K HN 0.721 nan 8.250 nan 0.000 0.450 75 N N 3.178 121.713 118.700 -0.276 0.000 2.508 75 N HA 0.097 4.838 4.740 0.001 0.000 0.285 75 N C -0.448 174.924 175.510 -0.231 0.000 1.144 75 N CA -0.268 52.718 53.050 -0.107 0.000 0.978 75 N CB 0.623 39.112 38.487 0.003 0.000 1.180 75 N HN 0.710 nan 8.380 nan 0.000 0.484 76 W N 0.644 122.009 121.300 0.108 0.000 3.103 76 W HA 0.327 4.988 4.660 0.002 0.000 0.325 76 W C 1.863 178.384 176.519 0.004 0.000 1.170 76 W CA -0.401 56.986 57.345 0.070 0.000 1.712 76 W CB 0.543 30.067 29.460 0.106 0.000 1.068 76 W HN 0.639 nan 8.180 nan 0.000 0.592 77 E N 0.426 120.723 120.200 0.162 0.000 2.318 77 E HA 0.014 4.365 4.350 0.001 0.000 0.193 77 E C 1.321 177.938 176.600 0.028 0.000 0.998 77 E CA 0.859 57.265 56.400 0.009 0.000 0.859 77 E CB 0.214 29.901 29.700 -0.020 0.000 0.812 77 E HN 0.301 nan 8.360 nan 0.000 0.492 78 L N -1.977 119.264 121.223 0.030 0.000 3.360 78 L HA 0.333 4.674 4.340 0.001 0.000 0.303 78 L C 1.226 178.079 176.870 -0.029 0.000 1.218 78 L CA 0.257 55.101 54.840 0.007 0.000 1.059 78 L CB 1.106 43.175 42.059 0.015 0.000 1.468 78 L HN 0.182 nan 8.230 nan 0.000 0.614 79 G N 0.779 109.538 108.800 -0.070 0.000 2.175 79 G HA2 -0.317 3.643 3.960 0.001 0.000 0.265 79 G HA3 -0.317 3.643 3.960 0.001 0.000 0.265 79 G C 0.418 175.226 174.900 -0.154 0.000 0.979 79 G CA 0.605 45.618 45.100 -0.145 0.000 0.663 79 G HN 0.336 nan 8.290 nan 0.000 0.533 80 S N -0.306 115.327 115.700 -0.113 0.000 2.599 80 S HA 0.296 4.767 4.470 0.001 0.000 0.303 80 S C 0.424 174.917 174.600 -0.178 0.000 1.267 80 S CA 0.651 58.785 58.200 -0.109 0.000 1.055 80 S CB 0.637 63.795 63.200 -0.069 0.000 0.790 80 S HN 0.507 nan 8.310 nan 0.000 0.500 81 I N 2.496 122.956 120.570 -0.183 0.000 2.512 81 I HA 0.404 4.574 4.170 0.001 0.000 0.287 81 I C 0.155 176.050 176.117 -0.371 0.000 1.069 81 I CA -0.289 60.842 61.300 -0.281 0.000 1.056 81 I CB 2.228 40.072 38.000 -0.260 0.000 1.229 81 I HN 0.724 nan 8.210 nan 0.000 0.429 82 T N 2.066 116.331 114.554 -0.480 0.000 2.838 82 T HA 0.688 5.039 4.350 0.001 0.000 0.292 82 T C -1.424 172.895 174.700 -0.634 0.000 1.113 82 T CA -0.700 61.113 62.100 -0.479 0.000 1.008 82 T CB 1.777 70.549 68.868 -0.160 0.000 1.259 82 T HN 0.280 nan 8.240 nan 0.000 0.520 83 Y N 0.154 120.444 120.300 -0.017 0.000 2.346 83 Y HA 0.479 5.029 4.550 0.001 0.000 0.332 83 Y C -0.447 175.433 175.900 -0.034 0.000 0.985 83 Y CA -1.084 57.007 58.100 -0.014 0.000 1.112 83 Y CB 1.846 40.283 38.460 -0.038 0.000 1.170 83 Y HN 0.680 nan 8.280 nan 0.000 0.447 84 D N 2.306 122.788 120.400 0.136 0.000 2.396 84 D HA 0.127 4.767 4.640 0.001 0.000 0.225 84 D C 0.701 177.004 176.300 0.005 0.000 1.121 84 D CA -0.017 54.026 54.000 0.071 0.000 0.853 84 D CB 1.301 42.174 40.800 0.122 0.000 1.043 84 D HN 0.773 nan 8.370 nan 0.000 0.500 85 T N 1.037 115.520 114.554 -0.118 0.000 3.044 85 T HA -0.038 4.313 4.350 0.001 0.000 0.250 85 T C 1.834 176.453 174.700 -0.136 0.000 1.081 85 T CA -0.218 61.726 62.100 -0.260 0.000 1.040 85 T CB 0.139 68.713 68.868 -0.488 0.000 0.962 85 T HN 0.240 nan 8.240 nan 0.000 0.506 86 L N 2.195 123.353 121.223 -0.108 0.000 2.275 86 L HA 0.060 4.400 4.340 0.001 0.000 0.215 86 L C 2.677 179.374 176.870 -0.288 0.000 1.119 86 L CA 0.994 55.783 54.840 -0.086 0.000 0.790 86 L CB -0.833 41.252 42.059 0.044 0.000 0.919 86 L HN 0.665 nan 8.230 nan 0.000 0.443 87 C N -0.988 117.925 119.300 -0.645 0.000 2.413 87 C HA -0.087 4.374 4.460 0.001 0.000 0.277 87 C C 2.826 177.606 174.990 -0.350 0.000 1.265 87 C CA 0.480 58.846 59.018 -1.087 0.000 1.752 87 C CB -1.882 25.282 27.740 -0.960 0.000 1.998 87 C HN 0.574 nan 8.230 nan 0.000 0.489 88 A N 0.515 123.281 122.820 -0.090 0.000 2.186 88 A HA -0.124 4.196 4.320 0.001 0.000 0.219 88 A C 2.257 179.845 177.584 0.006 0.000 1.159 88 A CA 1.723 53.779 52.037 0.030 0.000 0.680 88 A CB -0.486 18.649 19.000 0.225 0.000 0.787 88 A HN 0.818 nan 8.150 nan 0.000 0.467 89 Q N 0.153 119.942 119.800 -0.019 0.000 2.297 89 Q HA 0.008 4.348 4.340 0.001 0.000 0.204 89 Q C 1.159 177.183 176.000 0.041 0.000 0.962 89 Q CA 0.684 56.500 55.803 0.023 0.000 0.879 89 Q CB -0.790 27.973 28.738 0.041 0.000 0.947 89 Q HN 0.545 nan 8.270 nan 0.000 0.462 90 S N 0.927 116.648 115.700 0.033 0.000 2.552 90 S HA -0.049 4.422 4.470 0.001 0.000 0.289 90 S C 0.887 175.524 174.600 0.061 0.000 1.304 90 S CA 0.203 58.456 58.200 0.088 0.000 1.063 90 S CB 0.535 63.816 63.200 0.134 0.000 0.848 90 S HN 0.187 nan 8.310 nan 0.000 0.499 91 Q N 1.876 121.715 119.800 0.066 0.000 2.211 91 Q HA 0.234 4.574 4.340 0.001 0.000 0.242 91 Q C 0.009 176.036 176.000 0.044 0.000 0.825 91 Q CA 0.110 55.942 55.803 0.050 0.000 0.951 91 Q CB 0.663 29.432 28.738 0.051 0.000 1.130 91 Q HN 0.724 nan 8.270 nan 0.000 0.496 92 Q N 1.139 120.970 119.800 0.051 0.000 2.365 92 Q HA 0.223 4.564 4.340 0.001 0.000 0.269 92 Q C -1.294 174.735 176.000 0.049 0.000 1.061 92 Q CA -0.433 55.396 55.803 0.043 0.000 0.816 92 Q CB 1.816 30.576 28.738 0.037 0.000 1.325 92 Q HN 0.032 nan 8.270 nan 0.000 0.446 93 D N 1.249 121.673 120.400 0.041 0.000 2.362 93 D HA 0.320 4.960 4.640 0.001 0.000 0.242 93 D C 0.108 176.437 176.300 0.047 0.000 1.132 93 D CA 0.324 54.349 54.000 0.042 0.000 0.907 93 D CB 1.001 41.820 40.800 0.032 0.000 1.195 93 D HN 0.643 nan 8.370 nan 0.000 0.429 94 G N 0.267 109.099 108.800 0.053 0.000 2.552 94 G HA2 0.440 4.401 3.960 0.001 0.000 0.318 94 G HA3 0.440 4.401 3.960 0.001 0.000 0.318 94 G C -1.674 173.252 174.900 0.043 0.000 1.240 94 G CA -0.859 44.273 45.100 0.052 0.000 1.002 94 G HN 0.303 nan 8.290 nan 0.000 0.493 95 P HA 0.155 nan 4.420 nan 0.000 0.240 95 P C 0.546 177.866 177.300 0.034 0.000 1.190 95 P CA -0.200 62.921 63.100 0.035 0.000 0.781 95 P CB 0.142 31.863 31.700 0.035 0.000 0.931 96 C N 1.176 120.500 119.300 0.040 0.000 2.703 96 C HA 0.403 4.863 4.460 0.001 0.000 0.411 96 C C 1.332 176.340 174.990 0.029 0.000 1.290 96 C CA 0.535 59.575 59.018 0.036 0.000 2.054 96 C CB -0.189 27.578 27.740 0.045 0.000 2.732 96 C HN 0.438 nan 8.230 nan 0.000 0.650 97 T N -0.088 114.480 114.554 0.023 0.000 2.716 97 T HA 0.522 4.872 4.350 0.001 0.000 0.286 97 T C -1.906 172.803 174.700 0.015 0.000 1.052 97 T CA -0.837 61.274 62.100 0.018 0.000 1.024 97 T CB 1.105 69.981 68.868 0.014 0.000 1.349 97 T HN 0.378 nan 8.240 nan 0.000 0.525 98 P HA -0.054 nan 4.420 nan 0.000 0.215 98 P C 1.596 178.900 177.300 0.007 0.000 1.157 98 P CA 0.874 63.978 63.100 0.008 0.000 0.863 98 P CB 0.049 31.752 31.700 0.004 0.000 0.787 99 R N 0.737 121.240 120.500 0.006 0.000 2.143 99 R HA -0.160 4.180 4.340 0.001 0.000 0.239 99 R C 1.022 177.326 176.300 0.006 0.000 1.126 99 R CA 1.691 57.794 56.100 0.005 0.000 0.927 99 R CB -0.063 30.240 30.300 0.005 0.000 0.860 99 R HN 0.180 nan 8.270 nan 0.000 0.433 100 R N 0.090 120.595 120.500 0.008 0.000 2.533 100 R HA 0.214 4.555 4.340 0.001 0.000 0.288 100 R C -1.642 174.667 176.300 0.014 0.000 1.039 100 R CA -0.655 55.450 56.100 0.009 0.000 0.909 100 R CB 0.505 30.810 30.300 0.008 0.000 1.195 100 R HN 0.219 nan 8.270 nan 0.000 0.438 101 C N 4.855 124.163 119.300 0.013 0.000 2.347 101 C HA 0.502 4.963 4.460 0.001 0.000 0.353 101 C C 0.221 175.226 174.990 0.025 0.000 1.273 101 C CA -0.575 58.455 59.018 0.020 0.000 1.861 101 C CB -0.477 27.272 27.740 0.016 0.000 2.420 101 C HN 0.752 nan 8.230 nan 0.000 0.542 102 L N 6.601 127.844 121.223 0.034 0.000 3.141 102 L HA 0.333 4.674 4.340 0.001 0.000 0.267 102 L C 2.012 178.917 176.870 0.060 0.000 1.281 102 L CA 0.610 55.475 54.840 0.041 0.000 1.037 102 L CB -0.408 41.674 42.059 0.037 0.000 1.407 102 L HN 1.057 nan 8.230 nan 0.000 0.566 103 G N 0.028 108.866 108.800 0.064 0.000 2.503 103 G HA2 -0.336 3.625 3.960 0.001 0.000 0.221 103 G HA3 -0.336 3.625 3.960 0.001 0.000 0.221 103 G C 1.535 176.513 174.900 0.130 0.000 1.131 103 G CA 1.304 46.458 45.100 0.090 0.000 0.756 103 G HN 0.526 nan 8.290 nan 0.000 0.572 104 S N -0.348 115.424 115.700 0.120 0.000 2.603 104 S HA 0.268 4.739 4.470 0.001 0.000 0.220 104 S C 0.977 175.672 174.600 0.159 0.000 0.967 104 S CA -0.449 57.843 58.200 0.153 0.000 0.920 104 S CB -0.107 63.153 63.200 0.100 0.000 0.773 104 S HN 0.061 nan 8.310 nan 0.000 0.529 105 L N 2.597 123.895 121.223 0.125 0.000 2.455 105 L HA 0.142 4.483 4.340 0.001 0.000 0.272 105 L C 1.629 178.592 176.870 0.156 0.000 1.174 105 L CA 0.307 55.211 54.840 0.107 0.000 0.869 105 L CB 0.891 42.989 42.059 0.064 0.000 1.130 105 L HN 0.142 nan 8.230 nan 0.000 0.474 106 V N 5.514 125.526 119.914 0.164 0.000 2.219 106 V HA -0.230 3.890 4.120 0.001 0.000 0.248 106 V C 0.525 176.626 176.094 0.011 0.000 1.053 106 V CA 1.668 64.088 62.300 0.199 0.000 1.009 106 V CB -0.217 31.698 31.823 0.154 0.000 0.636 106 V HN 0.687 nan 8.190 nan 0.000 0.445 107 L N -2.473 118.705 121.223 -0.074 0.000 2.422 107 L HA 0.717 5.058 4.340 0.001 0.000 0.264 107 L C -2.493 174.345 176.870 -0.054 0.000 0.984 107 L CA -2.338 52.409 54.840 -0.154 0.000 0.819 107 L CB -0.363 41.476 42.059 -0.366 0.000 1.330 107 L HN -0.127 nan 8.230 nan 0.000 0.410 108 P HA 0.204 nan 4.420 nan 0.000 0.272 108 P C -0.745 176.552 177.300 -0.006 0.000 1.225 108 P CA -0.134 62.972 63.100 0.011 0.000 0.800 108 P CB 0.305 32.026 31.700 0.035 0.000 0.894 122 A N -0.183 122.639 122.820 0.004 0.000 2.308 122 A HA 0.122 4.443 4.320 0.001 0.000 0.217 122 A C 1.199 178.785 177.584 0.004 0.000 1.216 122 A CA 0.679 52.720 52.037 0.007 0.000 0.864 122 A CB -0.339 18.665 19.000 0.008 0.000 0.902 122 A HN 0.456 nan 8.150 nan 0.000 0.499 123 E N -0.484 119.716 120.200 -0.000 0.000 2.400 123 E HA -0.115 4.235 4.350 0.001 0.000 0.195 123 E C 1.864 178.462 176.600 -0.004 0.000 1.012 123 E CA 0.421 56.817 56.400 -0.006 0.000 0.875 123 E CB 0.005 29.700 29.700 -0.007 0.000 0.859 123 E HN 0.803 nan 8.360 nan 0.000 0.498 124 Q N 1.307 121.109 119.800 0.003 0.000 2.083 124 Q HA -0.148 4.193 4.340 0.001 0.000 0.198 124 Q C 2.352 178.363 176.000 0.017 0.000 0.969 124 Q CA 0.716 56.525 55.803 0.009 0.000 0.838 124 Q CB -0.020 28.724 28.738 0.011 0.000 0.900 124 Q HN 0.258 nan 8.270 nan 0.000 0.436 125 L N 1.121 122.357 121.223 0.022 0.000 2.043 125 L HA -0.211 4.130 4.340 0.001 0.000 0.212 125 L C 2.174 179.062 176.870 0.030 0.000 1.075 125 L CA 1.510 56.377 54.840 0.044 0.000 0.752 125 L CB -0.952 41.140 42.059 0.055 0.000 0.891 125 L HN 0.329 nan 8.230 nan 0.000 0.432 126 L N -0.485 120.734 121.223 -0.007 0.000 2.079 126 L HA -0.161 4.179 4.340 0.001 0.000 0.210 126 L C 2.635 179.479 176.870 -0.043 0.000 1.081 126 L CA 2.175 56.983 54.840 -0.054 0.000 0.752 126 L CB -1.103 40.927 42.059 -0.049 0.000 0.896 126 L HN 0.648 nan 8.230 nan 0.000 0.433 127 S N -2.577 113.118 115.700 -0.008 0.000 2.478 127 S HA -0.068 4.402 4.470 0.001 0.000 0.222 127 S C 1.739 176.361 174.600 0.036 0.000 1.008 127 S CA 0.111 58.313 58.200 0.004 0.000 0.928 127 S CB -0.196 63.007 63.200 0.006 0.000 0.781 127 S HN 0.483 nan 8.310 nan 0.000 0.518 128 Q N 1.285 121.117 119.800 0.053 0.000 2.224 128 Q HA 0.103 4.443 4.340 0.001 0.000 0.203 128 Q C 2.396 178.490 176.000 0.156 0.000 0.970 128 Q CA 1.212 57.075 55.803 0.099 0.000 0.865 128 Q CB -0.455 28.338 28.738 0.092 0.000 0.922 128 Q HN 0.722 nan 8.270 nan 0.000 0.445 129 A N 1.463 124.339 122.820 0.094 0.000 1.832 129 A HA -0.222 4.098 4.320 0.001 0.000 0.214 129 A C 1.946 179.584 177.584 0.090 0.000 1.200 129 A CA 1.418 53.497 52.037 0.069 0.000 0.610 129 A CB -0.481 18.348 19.000 -0.284 0.000 0.842 129 A HN 0.229 nan 8.150 nan 0.000 0.444 130 R N -0.112 120.386 120.500 -0.002 0.000 2.122 130 R HA -0.201 4.139 4.340 0.001 0.000 0.236 130 R C 1.966 178.303 176.300 0.061 0.000 1.129 130 R CA 1.755 57.850 56.100 -0.009 0.000 0.925 130 R CB -0.971 29.308 30.300 -0.035 0.000 0.850 130 R HN 0.565 nan 8.270 nan 0.000 0.431 131 D N -0.229 120.222 120.400 0.085 0.000 2.200 131 D HA -0.225 4.416 4.640 0.001 0.000 0.192 131 D C 1.671 178.085 176.300 0.190 0.000 1.008 131 D CA 1.679 55.752 54.000 0.122 0.000 0.872 131 D CB -0.088 40.785 40.800 0.123 0.000 0.923 131 D HN 0.105 nan 8.370 nan 0.000 0.447 132 F N 1.390 121.416 119.950 0.127 0.000 2.053 132 F HA -0.120 4.408 4.527 0.001 0.000 0.292 132 F C 2.215 178.158 175.800 0.237 0.000 1.125 132 F CA 0.604 58.718 58.000 0.190 0.000 1.193 132 F CB -0.572 38.545 39.000 0.196 0.000 0.996 132 F HN -0.171 nan 8.300 nan 0.000 0.470 133 I N 1.582 122.054 120.570 -0.165 0.000 2.290 133 I HA -0.375 3.795 4.170 0.001 0.000 0.253 133 I C 1.941 178.085 176.117 0.045 0.000 1.112 133 I CA 1.355 62.572 61.300 -0.137 0.000 1.377 133 I CB -1.455 36.575 38.000 0.050 0.000 1.060 133 I HN 0.327 nan 8.210 nan 0.000 0.428 134 N N 0.475 119.223 118.700 0.079 0.000 2.062 134 N HA -0.212 4.528 4.740 0.001 0.000 0.191 134 N C 1.803 177.300 175.510 -0.020 0.000 1.042 134 N CA 1.042 54.185 53.050 0.154 0.000 0.845 134 N CB -0.521 38.038 38.487 0.122 0.000 1.024 134 N HN 0.385 nan 8.380 nan 0.000 0.424 135 Q N -0.603 119.175 119.800 -0.036 0.000 2.224 135 Q HA -0.248 4.093 4.340 0.001 0.000 0.213 135 Q C 1.716 177.472 176.000 -0.406 0.000 0.998 135 Q CA 1.716 57.502 55.803 -0.027 0.000 0.895 135 Q CB -0.190 28.694 28.738 0.244 0.000 0.926 135 Q HN 0.473 nan 8.270 nan 0.000 0.417 136 Y N -1.077 118.784 120.300 -0.730 0.000 2.109 136 Y HA -0.251 4.300 4.550 0.001 0.000 0.281 136 Y C 1.704 177.205 175.900 -0.664 0.000 1.113 136 Y CA 1.852 59.339 58.100 -1.022 0.000 1.098 136 Y CB -0.592 37.414 38.460 -0.757 0.000 0.996 136 Y HN 0.120 nan 8.280 nan 0.000 0.485 137 Y N -0.412 119.637 120.300 -0.419 0.000 2.181 137 Y HA -0.240 4.311 4.550 0.001 0.000 0.288 137 Y C 3.098 178.685 175.900 -0.521 0.000 1.146 137 Y CA 1.817 59.615 58.100 -0.503 0.000 1.164 137 Y CB -1.231 36.889 38.460 -0.566 0.000 0.982 137 Y HN 0.212 nan 8.280 nan 0.000 0.515 138 S N -0.357 115.148 115.700 -0.324 0.000 2.392 138 S HA -0.274 4.196 4.470 0.001 0.000 0.232 138 S C 2.383 176.825 174.600 -0.264 0.000 1.041 138 S CA 1.911 59.961 58.200 -0.250 0.000 1.026 138 S CB -0.700 62.403 63.200 -0.161 0.000 0.845 138 S HN 0.642 nan 8.310 nan 0.000 0.465 139 S N 1.602 117.058 115.700 -0.406 0.000 2.383 139 S HA -0.032 4.438 4.470 0.001 0.000 0.227 139 S C 1.670 176.059 174.600 -0.352 0.000 1.026 139 S CA 1.083 59.059 58.200 -0.373 0.000 0.981 139 S CB -0.883 61.953 63.200 -0.606 0.000 0.818 139 S HN 0.772 nan 8.310 nan 0.000 0.472 140 I N -1.747 118.526 120.570 -0.495 0.000 3.812 140 I HA 0.339 4.509 4.170 0.001 0.000 0.320 140 I C -0.568 175.398 176.117 -0.251 0.000 1.276 140 I CA -0.508 60.560 61.300 -0.386 0.000 1.164 140 I CB -0.408 37.279 38.000 -0.522 0.000 1.009 140 I HN -0.105 nan 8.210 nan 0.000 0.431 141 K N 2.659 122.928 120.400 -0.219 0.000 4.868 141 K HA -0.148 4.172 4.320 0.001 0.000 0.324 141 K C -0.021 176.502 176.600 -0.129 0.000 0.971 141 K CA 0.345 56.543 56.287 -0.148 0.000 1.034 141 K CB -1.364 31.073 32.500 -0.104 0.000 1.672 141 K HN 0.554 nan 8.250 nan 0.000 0.426 142 R N -1.217 119.202 120.500 -0.136 0.000 2.471 142 R HA 0.006 4.347 4.340 0.001 0.000 0.326 142 R C -0.153 176.086 176.300 -0.100 0.000 0.875 142 R CA 0.453 56.514 56.100 -0.067 0.000 1.102 142 R CB 0.279 30.588 30.300 0.015 0.000 1.749 142 R HN 0.452 nan 8.270 nan 0.000 0.487 143 S N 0.115 115.682 115.700 -0.221 0.000 2.671 143 S HA 0.409 4.880 4.470 0.001 0.000 0.331 143 S C 1.050 175.607 174.600 -0.071 0.000 1.182 143 S CA 0.827 58.775 58.200 -0.420 0.000 1.276 143 S CB 0.343 63.345 63.200 -0.329 0.000 1.360 143 S HN 0.500 nan 8.310 nan 0.000 0.563 144 G N 2.569 111.449 108.800 0.132 0.000 4.077 144 G HA2 -0.115 3.845 3.960 0.001 0.000 0.199 144 G HA3 -0.115 3.845 3.960 0.001 0.000 0.199 144 G C 0.212 175.156 174.900 0.074 0.000 1.302 144 G CA -0.179 45.001 45.100 0.132 0.000 0.918 144 G HN 1.497 nan 8.290 nan 0.000 0.369 145 S N 1.686 117.413 115.700 0.044 0.000 2.573 145 S HA 0.395 4.866 4.470 0.001 0.000 0.277 145 S C 1.347 175.970 174.600 0.038 0.000 1.346 145 S CA 0.922 59.141 58.200 0.031 0.000 1.034 145 S CB 1.274 64.490 63.200 0.026 0.000 0.879 145 S HN 0.502 nan 8.310 nan 0.000 0.528 146 Q N 1.969 121.783 119.800 0.022 0.000 1.807 146 Q HA -0.392 3.948 4.340 0.001 0.000 0.426 146 Q C 2.527 178.532 176.000 0.008 0.000 1.040 146 Q CA 2.355 58.166 55.803 0.012 0.000 0.868 146 Q CB -1.707 27.044 28.738 0.021 0.000 0.956 146 Q HN 1.096 nan 8.270 nan 0.000 0.419 147 A N 0.754 123.611 122.820 0.062 0.000 1.899 147 A HA -0.376 3.945 4.320 0.001 0.000 0.230 147 A C 1.958 179.456 177.584 -0.144 0.000 1.593 147 A CA 2.795 54.893 52.037 0.101 0.000 0.728 147 A CB -1.704 17.497 19.000 0.336 0.000 0.848 147 A HN 0.735 nan 8.150 nan 0.000 0.490 148 H N -1.251 117.482 119.070 -0.562 0.000 2.371 148 H HA -0.223 4.334 4.556 0.001 0.000 0.292 148 H C 2.223 177.255 175.328 -0.494 0.000 1.066 148 H CA 1.839 57.275 56.048 -1.020 0.000 1.153 148 H CB -0.155 29.265 29.762 -0.570 0.000 1.375 148 H HN 0.531 nan 8.280 nan 0.000 0.558 149 E N 0.498 120.537 120.200 -0.269 0.000 2.164 149 E HA -0.235 4.116 4.350 0.001 0.000 0.206 149 E C 2.080 178.563 176.600 -0.195 0.000 1.032 149 E CA 1.770 58.028 56.400 -0.238 0.000 0.832 149 E CB -0.218 29.411 29.700 -0.118 0.000 0.742 149 E HN 0.650 nan 8.360 nan 0.000 0.460 150 E N -0.555 119.557 120.200 -0.146 0.000 2.028 150 E HA -0.170 4.181 4.350 0.001 0.000 0.190 150 E C 2.233 178.775 176.600 -0.097 0.000 0.984 150 E CA 1.064 57.410 56.400 -0.090 0.000 0.800 150 E CB -0.160 29.518 29.700 -0.037 0.000 0.758 150 E HN -0.024 nan 8.360 nan 0.000 0.448 151 R N 1.089 121.515 120.500 -0.123 0.000 2.235 151 R HA -0.024 4.317 4.340 0.001 0.000 0.213 151 R C 1.891 178.118 176.300 -0.122 0.000 1.059 151 R CA 0.609 56.665 56.100 -0.073 0.000 0.997 151 R CB -0.284 30.022 30.300 0.011 0.000 0.884 151 R HN 0.154 nan 8.270 nan 0.000 0.462 152 L N -0.146 120.936 121.223 -0.235 0.000 2.395 152 L HA -0.007 4.334 4.340 0.001 0.000 0.218 152 L C 1.746 178.515 176.870 -0.168 0.000 1.130 152 L CA 1.103 55.800 54.840 -0.239 0.000 0.826 152 L CB 0.045 41.882 42.059 -0.370 0.000 0.941 152 L HN 0.347 nan 8.230 nan 0.000 0.451 153 Q N -1.126 118.595 119.800 -0.131 0.000 2.391 153 Q HA -0.088 4.253 4.340 0.001 0.000 0.211 153 Q C 1.665 177.630 176.000 -0.058 0.000 0.908 153 Q CA 0.281 56.028 55.803 -0.093 0.000 0.920 153 Q CB 0.390 29.079 28.738 -0.081 0.000 1.056 153 Q HN 0.503 nan 8.270 nan 0.000 0.523 154 E N 0.377 120.555 120.200 -0.038 0.000 2.065 154 E HA -0.226 4.125 4.350 0.001 0.000 0.201 154 E C 2.020 178.616 176.600 -0.006 0.000 1.016 154 E CA 1.645 58.045 56.400 0.001 0.000 0.818 154 E CB -0.105 29.616 29.700 0.034 0.000 0.749 154 E HN 0.054 nan 8.360 nan 0.000 0.453 155 V N 1.036 120.920 119.914 -0.050 0.000 2.231 155 V HA -0.352 3.768 4.120 0.001 0.000 0.250 155 V C 2.120 178.132 176.094 -0.138 0.000 1.058 155 V CA 2.314 64.526 62.300 -0.147 0.000 1.022 155 V CB -0.392 31.260 31.823 -0.284 0.000 0.640 155 V HN 0.290 nan 8.190 nan 0.000 0.445 156 E N -0.636 119.492 120.200 -0.120 0.000 2.085 156 E HA -0.210 4.141 4.350 0.001 0.000 0.194 156 E C 2.229 178.798 176.600 -0.051 0.000 0.994 156 E CA 1.351 57.696 56.400 -0.092 0.000 0.801 156 E CB -0.364 29.286 29.700 -0.083 0.000 0.743 156 E HN 0.643 nan 8.360 nan 0.000 0.453 157 A N 0.863 123.662 122.820 -0.034 0.000 1.902 157 A HA -0.254 4.067 4.320 0.001 0.000 0.217 157 A C 2.038 179.628 177.584 0.010 0.000 1.181 157 A CA 1.693 53.724 52.037 -0.009 0.000 0.623 157 A CB -0.389 18.610 19.000 -0.002 0.000 0.818 157 A HN 0.237 nan 8.150 nan 0.000 0.443 158 E N -0.471 119.743 120.200 0.023 0.000 2.046 158 E HA -0.094 4.257 4.350 0.001 0.000 0.190 158 E C 1.935 178.567 176.600 0.053 0.000 0.982 158 E CA 1.180 57.618 56.400 0.063 0.000 0.800 158 E CB -0.091 29.682 29.700 0.122 0.000 0.756 158 E HN 0.274 nan 8.360 nan 0.000 0.449 159 V N 1.361 121.289 119.914 0.024 0.000 2.287 159 V HA -0.308 3.813 4.120 0.001 0.000 0.248 159 V C 2.438 178.540 176.094 0.013 0.000 1.053 159 V CA 1.920 64.233 62.300 0.021 0.000 1.027 159 V CB -0.865 30.940 31.823 -0.031 0.000 0.646 159 V HN 0.460 nan 8.190 nan 0.000 0.447 160 A N -0.894 121.925 122.820 -0.001 0.000 1.986 160 A HA -0.194 4.127 4.320 0.001 0.000 0.220 160 A C 2.101 179.691 177.584 0.010 0.000 1.171 160 A CA 2.369 54.405 52.037 -0.001 0.000 0.640 160 A CB -0.320 18.675 19.000 -0.008 0.000 0.811 160 A HN 0.547 nan 8.150 nan 0.000 0.451 161 S N -2.172 113.540 115.700 0.019 0.000 2.855 161 S HA 0.202 4.673 4.470 0.001 0.000 0.249 161 S C 0.821 175.442 174.600 0.035 0.000 1.033 161 S CA 0.373 58.587 58.200 0.024 0.000 1.038 161 S CB 0.527 63.740 63.200 0.023 0.000 0.960 161 S HN 0.850 nan 8.310 nan 0.000 0.548 162 T N -2.862 111.716 114.554 0.040 0.000 3.186 162 T HA 0.401 4.751 4.350 0.001 0.000 0.292 162 T C 1.347 176.067 174.700 0.034 0.000 0.915 162 T CA 0.741 62.869 62.100 0.048 0.000 0.902 162 T CB 0.206 69.120 68.868 0.077 0.000 1.192 162 T HN 0.578 nan 8.240 nan 0.000 0.563 163 G N 0.432 109.249 108.800 0.027 0.000 2.168 163 G HA2 -0.140 3.821 3.960 0.001 0.000 0.263 163 G HA3 -0.140 3.821 3.960 0.001 0.000 0.263 163 G C 0.247 175.163 174.900 0.026 0.000 0.977 163 G CA 0.854 45.967 45.100 0.021 0.000 0.659 163 G HN 1.392 nan 8.290 nan 0.000 0.533 164 T N -1.894 112.684 114.554 0.039 0.000 2.648 164 T HA 0.615 4.966 4.350 0.001 0.000 0.300 164 T C -1.140 173.606 174.700 0.077 0.000 1.751 164 T CA 0.454 62.583 62.100 0.049 0.000 0.959 164 T CB 0.838 69.659 68.868 -0.080 0.000 1.888 164 T HN 1.705 nan 8.240 nan 0.000 0.480 165 Y N -0.848 119.259 120.300 -0.321 0.000 2.853 165 Y HA 0.853 5.404 4.550 0.001 0.000 0.326 165 Y C -1.491 174.018 175.900 -0.653 0.000 1.384 165 Y CA -1.239 56.652 58.100 -0.348 0.000 1.077 165 Y CB 0.858 39.257 38.460 -0.103 0.000 1.395 165 Y HN 0.860 nan 8.280 nan 0.000 0.451 166 H N 0.226 119.285 119.070 -0.018 0.000 2.928 166 H HA 0.627 5.183 4.556 0.001 0.000 0.371 166 H C -1.373 173.973 175.328 0.030 0.000 1.186 166 H CA -0.937 55.044 56.048 -0.111 0.000 1.134 166 H CB 2.181 31.931 29.762 -0.019 0.000 1.824 166 H HN 0.664 nan 8.280 nan 0.000 0.554 167 L N 2.468 123.769 121.223 0.130 0.000 2.292 167 L HA 0.428 4.768 4.340 0.001 0.000 0.284 167 L C 0.199 177.132 176.870 0.104 0.000 1.065 167 L CA -1.046 53.883 54.840 0.147 0.000 0.806 167 L CB 0.581 42.704 42.059 0.107 0.000 1.175 167 L HN 0.375 nan 8.230 nan 0.000 0.431 168 R N 1.878 122.430 120.500 0.088 0.000 2.734 168 R HA 0.004 4.344 4.340 0.001 0.000 0.266 168 R C 1.065 177.356 176.300 -0.014 0.000 1.044 168 R CA -0.070 56.049 56.100 0.031 0.000 1.128 168 R CB 0.336 30.647 30.300 0.018 0.000 1.010 168 R HN 0.628 nan 8.270 nan 0.000 0.461 169 E N 1.061 121.250 120.200 -0.019 0.000 2.028 169 E HA -0.167 4.183 4.350 0.001 0.000 0.191 169 E C 1.410 177.990 176.600 -0.033 0.000 0.988 169 E CA 1.851 58.230 56.400 -0.035 0.000 0.799 169 E CB 0.205 29.887 29.700 -0.031 0.000 0.755 169 E HN 0.652 nan 8.360 nan 0.000 0.447 170 S N 0.666 116.356 115.700 -0.016 0.000 2.420 170 S HA -0.209 4.261 4.470 0.001 0.000 0.237 170 S C 1.658 176.290 174.600 0.053 0.000 1.023 170 S CA 1.401 59.626 58.200 0.040 0.000 0.991 170 S CB -0.422 62.830 63.200 0.087 0.000 0.792 170 S HN 0.300 nan 8.310 nan 0.000 0.488 171 E N 0.988 121.069 120.200 -0.198 0.000 2.046 171 E HA -0.023 4.328 4.350 0.001 0.000 0.190 171 E C 2.060 178.750 176.600 0.150 0.000 0.982 171 E CA 1.045 57.273 56.400 -0.286 0.000 0.800 171 E CB -0.364 29.123 29.700 -0.355 0.000 0.756 171 E HN 0.455 nan 8.360 nan 0.000 0.449 172 L N 1.057 122.301 121.223 0.036 0.000 2.079 172 L HA -0.172 4.168 4.340 0.001 0.000 0.210 172 L C 2.171 179.035 176.870 -0.011 0.000 1.081 172 L CA 1.268 56.082 54.840 -0.044 0.000 0.752 172 L CB -0.064 41.893 42.059 -0.169 0.000 0.896 172 L HN -0.055 nan 8.230 nan 0.000 0.433 173 V N -0.855 119.085 119.914 0.043 0.000 2.667 173 V HA -0.241 3.879 4.120 0.001 0.000 0.252 173 V C 2.148 178.342 176.094 0.166 0.000 1.065 173 V CA 1.665 63.992 62.300 0.046 0.000 1.083 173 V CB -0.890 30.946 31.823 0.023 0.000 0.692 173 V HN 0.539 nan 8.190 nan 0.000 0.468 174 F N 2.176 122.225 119.950 0.165 0.000 2.098 174 F HA 0.070 4.598 4.527 0.001 0.000 0.294 174 F C 2.261 178.203 175.800 0.236 0.000 1.107 174 F CA 1.613 59.766 58.000 0.255 0.000 1.234 174 F CB -0.906 38.357 39.000 0.439 0.000 1.002 174 F HN 0.139 nan 8.300 nan 0.000 0.472 175 G N 0.218 109.150 108.800 0.220 0.000 2.529 175 G HA2 -0.352 3.609 3.960 0.001 0.000 0.219 175 G HA3 -0.352 3.609 3.960 0.001 0.000 0.219 175 G C 1.829 176.587 174.900 -0.237 0.000 1.177 175 G CA 1.338 46.403 45.100 -0.058 0.000 0.773 175 G HN 0.663 nan 8.290 nan 0.000 0.573 176 A N 0.661 123.373 122.820 -0.181 0.000 1.851 176 A HA -0.069 4.251 4.320 0.001 0.000 0.216 176 A C 2.286 179.831 177.584 -0.066 0.000 1.195 176 A CA 2.258 54.196 52.037 -0.165 0.000 0.622 176 A CB -0.575 18.351 19.000 -0.123 0.000 0.831 176 A HN 0.377 nan 8.150 nan 0.000 0.444 177 K N -1.294 119.109 120.400 0.006 0.000 2.059 177 K HA -0.280 4.041 4.320 0.001 0.000 0.212 177 K C 2.452 179.073 176.600 0.036 0.000 1.050 177 K CA 2.093 58.475 56.287 0.158 0.000 0.927 177 K CB -0.174 32.464 32.500 0.229 0.000 0.714 177 K HN 0.470 nan 8.250 nan 0.000 0.447 178 Q N -0.021 119.614 119.800 -0.275 0.000 2.050 178 Q HA -0.075 4.266 4.340 0.001 0.000 0.202 178 Q C 1.853 177.681 176.000 -0.287 0.000 0.980 178 Q CA 1.963 57.506 55.803 -0.432 0.000 0.840 178 Q CB -0.298 28.052 28.738 -0.647 0.000 0.898 178 Q HN 0.375 nan 8.270 nan 0.000 0.424 179 A N -0.767 121.892 122.820 -0.268 0.000 2.019 179 A HA -0.184 4.137 4.320 0.001 0.000 0.219 179 A C 1.782 179.377 177.584 0.017 0.000 1.164 179 A CA 1.393 53.245 52.037 -0.309 0.000 0.644 179 A CB -1.063 17.515 19.000 -0.705 0.000 0.805 179 A HN 0.678 nan 8.150 nan 0.000 0.449 180 W N 0.937 122.216 121.300 -0.035 0.000 2.378 180 W HA -0.125 4.535 4.660 0.001 0.000 0.313 180 W C 2.336 178.810 176.519 -0.075 0.000 1.197 180 W CA 1.463 58.830 57.345 0.036 0.000 1.304 180 W CB -0.763 28.694 29.460 -0.004 0.000 1.148 180 W HN 0.370 nan 8.180 nan 0.000 0.494 181 R N 0.379 120.792 120.500 -0.145 0.000 2.117 181 R HA -0.231 4.110 4.340 0.001 0.000 0.243 181 R C 1.936 178.062 176.300 -0.290 0.000 1.143 181 R CA 2.019 57.792 56.100 -0.545 0.000 0.968 181 R CB -0.573 29.034 30.300 -1.155 0.000 0.863 181 R HN 0.161 nan 8.270 nan 0.000 0.444 182 N N 0.520 119.111 118.700 -0.182 0.000 2.135 182 N HA -0.055 4.686 4.740 0.001 0.000 0.186 182 N C 0.232 175.716 175.510 -0.043 0.000 1.027 182 N CA 1.054 54.032 53.050 -0.119 0.000 0.849 182 N CB -0.457 37.958 38.487 -0.119 0.000 1.002 182 N HN 0.211 nan 8.380 nan 0.000 0.425 183 A N 2.249 125.101 122.820 0.053 0.000 2.553 183 A HA 0.127 4.448 4.320 0.001 0.000 0.258 183 A C -1.513 176.086 177.584 0.026 0.000 1.069 183 A CA -0.626 51.450 52.037 0.065 0.000 0.767 183 A CB 0.144 19.244 19.000 0.167 0.000 0.997 183 A HN 0.123 nan 8.150 nan 0.000 0.512 184 P HA 0.073 nan 4.420 nan 0.000 0.249 184 P C 0.875 178.161 177.300 -0.025 0.000 1.229 184 P CA 0.602 63.677 63.100 -0.042 0.000 0.788 184 P CB 0.279 31.908 31.700 -0.118 0.000 1.072 185 R N -1.703 118.760 120.500 -0.062 0.000 2.334 185 R HA 0.158 4.498 4.340 0.001 0.000 0.216 185 R C 0.207 176.535 176.300 0.048 0.000 0.905 185 R CA -0.056 55.998 56.100 -0.075 0.000 1.064 185 R CB -0.164 29.913 30.300 -0.371 0.000 1.046 185 R HN 0.163 nan 8.270 nan 0.000 0.508 186 C N 0.614 119.970 119.300 0.093 0.000 2.265 186 C HA 0.233 4.693 4.460 0.001 0.000 0.332 186 C C 1.906 177.008 174.990 0.186 0.000 1.248 186 C CA -0.653 58.464 59.018 0.164 0.000 1.727 186 C CB 0.443 28.353 27.740 0.283 0.000 2.348 186 C HN 0.245 nan 8.230 nan 0.000 0.519 187 V N 5.833 125.802 119.914 0.091 0.000 3.380 187 V HA 0.155 4.276 4.120 0.001 0.000 0.268 187 V C 1.870 178.137 176.094 0.287 0.000 1.168 187 V CA 2.229 64.556 62.300 0.045 0.000 1.156 187 V CB -0.127 31.635 31.823 -0.101 0.000 0.785 187 V HN 1.089 nan 8.190 nan 0.000 0.487 188 G N -1.086 107.844 108.800 0.216 0.000 3.337 188 G HA2 0.052 4.012 3.960 0.001 0.000 0.246 188 G HA3 0.052 4.012 3.960 0.001 0.000 0.246 188 G C 1.313 176.176 174.900 -0.061 0.000 1.131 188 G CA -0.297 44.879 45.100 0.127 0.000 0.773 188 G HN 0.390 nan 8.290 nan 0.000 0.544 189 R N -0.070 120.305 120.500 -0.209 0.000 2.159 189 R HA -0.015 4.325 4.340 0.001 0.000 0.237 189 R C 2.177 177.886 176.300 -0.986 0.000 1.131 189 R CA 0.699 56.319 56.100 -0.800 0.000 0.982 189 R CB -0.334 29.582 30.300 -0.640 0.000 0.868 189 R HN 0.444 nan 8.270 nan 0.000 0.453 190 I N 1.227 121.301 120.570 -0.826 0.000 2.462 190 I HA -0.338 3.832 4.170 0.001 0.000 0.259 190 I C 1.516 177.416 176.117 -0.362 0.000 1.156 190 I CA 1.476 62.529 61.300 -0.411 0.000 1.417 190 I CB 0.092 38.013 38.000 -0.130 0.000 1.088 190 I HN 0.207 nan 8.210 nan 0.000 0.442 191 Q N 0.244 119.761 119.800 -0.472 0.000 2.403 191 Q HA -0.095 4.246 4.340 0.001 0.000 0.203 191 Q C 1.580 177.218 176.000 -0.604 0.000 0.932 191 Q CA 0.580 56.158 55.803 -0.375 0.000 0.945 191 Q CB -0.196 28.463 28.738 -0.132 0.000 1.045 191 Q HN 0.825 nan 8.270 nan 0.000 0.511 192 W N -0.481 120.266 121.300 -0.921 0.000 2.364 192 W HA -0.074 4.586 4.660 0.001 0.000 0.281 192 W C 1.259 177.638 176.519 -0.233 0.000 1.219 192 W CA 0.992 57.801 57.345 -0.893 0.000 1.220 192 W CB -1.266 27.697 29.460 -0.829 0.000 1.127 192 W HN 0.076 nan 8.180 nan 0.000 0.556 193 G N 1.361 109.542 108.800 -1.032 0.000 2.432 193 G HA2 -0.253 3.707 3.960 0.001 0.000 0.219 193 G HA3 -0.253 3.707 3.960 0.001 0.000 0.219 193 G C 1.129 175.883 174.900 -0.243 0.000 1.135 193 G CA 0.395 45.046 45.100 -0.748 0.000 0.767 193 G HN 0.247 nan 8.290 nan 0.000 0.550 194 K N 0.125 120.450 120.400 -0.126 0.000 2.535 194 K HA 0.461 4.782 4.320 0.001 0.000 0.242 194 K C -1.175 175.526 176.600 0.167 0.000 1.210 194 K CA -0.456 55.849 56.287 0.030 0.000 1.178 194 K CB -0.038 32.502 32.500 0.067 0.000 1.778 194 K HN 0.164 nan 8.250 nan 0.000 0.372 195 L N 1.313 122.618 121.223 0.135 0.000 2.341 195 L HA 0.448 4.789 4.340 0.001 0.000 0.267 195 L C -1.369 175.487 176.870 -0.023 0.000 1.009 195 L CA -0.479 54.439 54.840 0.130 0.000 0.819 195 L CB 1.980 44.172 42.059 0.222 0.000 1.323 195 L HN 0.241 nan 8.230 nan 0.000 0.425 196 Q N 2.542 122.249 119.800 -0.156 0.000 2.330 196 Q HA 0.642 4.983 4.340 0.001 0.000 0.269 196 Q C -2.076 173.519 176.000 -0.676 0.000 1.022 196 Q CA -0.507 55.044 55.803 -0.421 0.000 0.796 196 Q CB 1.990 30.394 28.738 -0.557 0.000 1.271 196 Q HN 0.491 nan 8.270 nan 0.000 0.450 197 V N 5.689 125.206 119.914 -0.661 0.000 2.350 197 V HA 0.469 4.589 4.120 0.001 0.000 0.285 197 V C -0.906 174.817 176.094 -0.619 0.000 1.014 197 V CA -0.562 61.418 62.300 -0.533 0.000 0.831 197 V CB 0.391 32.053 31.823 -0.268 0.000 1.000 197 V HN 0.689 nan 8.190 nan 0.000 0.433 198 F N 2.505 122.321 119.950 -0.224 0.000 2.411 198 F HA 0.382 4.909 4.527 0.001 0.000 0.350 198 F C 0.629 176.253 175.800 -0.294 0.000 1.114 198 F CA -0.817 57.047 58.000 -0.227 0.000 1.135 198 F CB 0.743 39.622 39.000 -0.202 0.000 1.120 198 F HN 0.400 nan 8.300 nan 0.000 0.495 199 D N 2.876 123.217 120.400 -0.100 0.000 2.365 199 D HA 0.366 5.006 4.640 0.001 0.000 0.237 199 D C 0.360 176.436 176.300 -0.374 0.000 1.190 199 D CA -0.007 53.862 54.000 -0.219 0.000 0.867 199 D CB 1.231 41.948 40.800 -0.139 0.000 1.050 199 D HN 0.623 nan 8.370 nan 0.000 0.491 200 A N 4.297 126.733 122.820 -0.640 0.000 2.423 200 A HA 0.121 4.441 4.320 0.001 0.000 0.246 200 A C 1.904 179.171 177.584 -0.529 0.000 1.278 200 A CA -0.209 51.214 52.037 -1.023 0.000 0.903 200 A CB 0.033 17.950 19.000 -1.805 0.000 0.997 200 A HN 0.480 nan 8.150 nan 0.000 0.510 201 R N 1.216 121.530 120.500 -0.309 0.000 2.226 201 R HA -0.180 4.161 4.340 0.001 0.000 0.246 201 R C 1.199 177.415 176.300 -0.141 0.000 1.161 201 R CA 1.699 57.701 56.100 -0.165 0.000 0.997 201 R CB -0.127 30.129 30.300 -0.073 0.000 0.870 201 R HN 0.727 nan 8.270 nan 0.000 0.465 202 D N -1.466 118.864 120.400 -0.117 0.000 2.328 202 D HA -0.051 4.589 4.640 0.001 0.000 0.226 202 D C -0.308 176.014 176.300 0.037 0.000 1.066 202 D CA -0.143 53.842 54.000 -0.026 0.000 0.861 202 D CB -0.633 40.180 40.800 0.021 0.000 0.912 202 D HN 0.038 nan 8.370 nan 0.000 0.521 203 C N 1.687 120.989 119.300 0.004 0.000 2.576 203 C HA 0.408 4.869 4.460 0.001 0.000 0.401 203 C C 1.423 176.515 174.990 0.171 0.000 1.314 203 C CA 0.115 59.224 59.018 0.152 0.000 1.855 203 C CB -0.357 27.513 27.740 0.217 0.000 2.537 203 C HN 0.434 nan 8.230 nan 0.000 0.578 204 S N 2.445 118.307 115.700 0.269 0.000 2.855 204 S HA 0.388 4.859 4.470 0.001 0.000 0.249 204 S C -0.183 174.591 174.600 0.289 0.000 1.033 204 S CA 0.055 58.455 58.200 0.333 0.000 1.038 204 S CB -0.149 63.173 63.200 0.203 0.000 0.960 204 S HN 1.246 nan 8.310 nan 0.000 0.548 205 S N -0.361 115.520 115.700 0.302 0.000 2.586 205 S HA 0.680 5.151 4.470 0.001 0.000 0.277 205 S C 0.560 175.243 174.600 0.139 0.000 1.131 205 S CA -0.256 58.047 58.200 0.171 0.000 0.848 205 S CB 0.706 63.976 63.200 0.117 0.000 1.091 205 S HN 0.721 nan 8.310 nan 0.000 0.453 206 A N 1.483 124.332 122.820 0.050 0.000 2.125 206 A HA -0.026 4.295 4.320 0.001 0.000 0.219 206 A C 2.050 179.446 177.584 -0.314 0.000 1.156 206 A CA 1.514 53.515 52.037 -0.060 0.000 0.671 206 A CB -0.739 18.287 19.000 0.044 0.000 0.794 206 A HN 0.744 nan 8.150 nan 0.000 0.459 207 Q N 0.356 120.109 119.800 -0.078 0.000 1.942 207 Q HA -0.195 4.145 4.340 0.001 0.000 0.203 207 Q C 1.858 177.818 176.000 -0.067 0.000 0.987 207 Q CA 2.128 57.876 55.803 -0.092 0.000 0.844 207 Q CB -0.513 28.284 28.738 0.098 0.000 0.911 207 Q HN 0.815 nan 8.270 nan 0.000 0.423 208 E N -0.138 120.087 120.200 0.041 0.000 2.219 208 E HA -0.207 4.144 4.350 0.001 0.000 0.198 208 E C 2.080 178.790 176.600 0.183 0.000 0.998 208 E CA 1.062 57.513 56.400 0.085 0.000 0.818 208 E CB -0.175 29.636 29.700 0.184 0.000 0.741 208 E HN 0.373 nan 8.360 nan 0.000 0.477 209 M N -0.271 119.442 119.600 0.188 0.000 2.156 209 M HA -0.087 4.393 4.480 0.001 0.000 0.264 209 M C 2.166 178.546 176.300 0.133 0.000 1.067 209 M CA 1.021 56.482 55.300 0.268 0.000 1.131 209 M CB -0.218 32.352 32.600 -0.052 0.000 1.368 209 M HN 0.109 nan 8.290 nan 0.000 0.416 210 F N 1.323 121.103 119.950 -0.283 0.000 2.095 210 F HA -0.229 4.299 4.527 0.001 0.000 0.298 210 F C 2.312 178.025 175.800 -0.145 0.000 1.104 210 F CA 1.880 59.675 58.000 -0.341 0.000 1.232 210 F CB -0.754 37.803 39.000 -0.738 0.000 0.987 210 F HN 0.038 nan 8.300 nan 0.000 0.475 211 T N -0.256 114.170 114.554 -0.213 0.000 2.607 211 T HA -0.276 4.075 4.350 0.001 0.000 0.267 211 T C 1.710 176.247 174.700 -0.271 0.000 1.049 211 T CA 2.179 64.097 62.100 -0.303 0.000 1.162 211 T CB -0.779 67.913 68.868 -0.293 0.000 0.863 211 T HN 0.316 nan 8.240 nan 0.000 0.424 212 Y N 0.770 121.037 120.300 -0.055 0.000 2.193 212 Y HA -0.104 4.447 4.550 0.001 0.000 0.285 212 Y C 2.155 178.025 175.900 -0.050 0.000 1.166 212 Y CA 0.746 58.816 58.100 -0.050 0.000 1.181 212 Y CB -0.587 37.884 38.460 0.020 0.000 0.976 212 Y HN 0.252 nan 8.280 nan 0.000 0.520 213 I N -1.719 118.916 120.570 0.108 0.000 2.162 213 I HA -0.316 3.855 4.170 0.001 0.000 0.238 213 I C 2.405 178.424 176.117 -0.164 0.000 1.076 213 I CA 1.042 62.326 61.300 -0.027 0.000 1.353 213 I CB -0.606 37.360 38.000 -0.056 0.000 1.063 213 I HN 0.180 nan 8.210 nan 0.000 0.408 214 C N 0.485 119.555 119.300 -0.384 0.000 2.391 214 C HA -0.225 4.236 4.460 0.001 0.000 0.276 214 C C 2.643 177.516 174.990 -0.194 0.000 1.217 214 C CA 1.708 60.503 59.018 -0.372 0.000 1.766 214 C CB -1.620 25.771 27.740 -0.582 0.000 2.046 214 C HN 0.563 nan 8.230 nan 0.000 0.475 215 N N -0.588 117.995 118.700 -0.193 0.000 2.142 215 N HA -0.154 4.586 4.740 0.001 0.000 0.186 215 N C 1.642 177.072 175.510 -0.134 0.000 1.023 215 N CA 1.569 54.516 53.050 -0.172 0.000 0.852 215 N CB -0.397 37.943 38.487 -0.246 0.000 0.998 215 N HN 0.771 nan 8.380 nan 0.000 0.424 216 H N -0.376 118.544 119.070 -0.249 0.000 2.353 216 H HA -0.008 4.549 4.556 0.001 0.000 0.300 216 H C 1.855 177.194 175.328 0.018 0.000 1.090 216 H CA 1.680 57.614 56.048 -0.190 0.000 1.327 216 H CB -0.003 29.705 29.762 -0.090 0.000 1.383 216 H HN 0.226 nan 8.280 nan 0.000 0.508 217 I N 1.073 121.791 120.570 0.246 0.000 2.315 217 I HA -0.238 3.933 4.170 0.001 0.000 0.248 217 I C 2.644 178.846 176.117 0.141 0.000 1.117 217 I CA 1.115 62.531 61.300 0.193 0.000 1.404 217 I CB -0.346 37.685 38.000 0.053 0.000 1.071 217 I HN 0.292 nan 8.210 nan 0.000 0.419 218 K N 1.317 121.764 120.400 0.077 0.000 2.097 218 K HA -0.259 4.062 4.320 0.001 0.000 0.206 218 K C 2.234 178.888 176.600 0.088 0.000 1.049 218 K CA 1.757 58.076 56.287 0.052 0.000 0.933 218 K CB -0.514 31.990 32.500 0.007 0.000 0.717 218 K HN 0.380 nan 8.250 nan 0.000 0.442 219 Y N 0.772 121.076 120.300 0.007 0.000 2.163 219 Y HA -0.099 4.452 4.550 0.001 0.000 0.288 219 Y C 2.129 178.080 175.900 0.085 0.000 1.136 219 Y CA 2.146 60.275 58.100 0.048 0.000 1.147 219 Y CB -0.232 38.276 38.460 0.081 0.000 0.987 219 Y HN 0.150 nan 8.280 nan 0.000 0.509 220 A N -1.248 121.782 122.820 0.349 0.000 2.123 220 A HA -0.002 4.318 4.320 0.001 0.000 0.214 220 A C 2.029 179.718 177.584 0.175 0.000 1.152 220 A CA 1.502 53.731 52.037 0.319 0.000 0.728 220 A CB -0.852 18.366 19.000 0.364 0.000 0.814 220 A HN 0.491 nan 8.150 nan 0.000 0.464 221 T N -0.318 114.313 114.554 0.127 0.000 2.894 221 T HA -0.039 4.311 4.350 0.001 0.000 0.258 221 T C 1.038 175.757 174.700 0.032 0.000 1.043 221 T CA 0.731 62.887 62.100 0.093 0.000 1.141 221 T CB -0.424 68.493 68.868 0.081 0.000 0.873 221 T HN 0.736 nan 8.240 nan 0.000 0.449 222 N N 0.776 119.466 118.700 -0.018 0.000 2.710 222 N HA -0.310 4.431 4.740 0.001 0.000 0.249 222 N C -0.289 175.191 175.510 -0.050 0.000 1.059 222 N CA 0.391 53.395 53.050 -0.077 0.000 0.720 222 N CB -0.424 37.974 38.487 -0.147 0.000 0.983 222 N HN 0.355 nan 8.380 nan 0.000 0.544 223 R N -2.934 117.551 120.500 -0.026 0.000 4.000 223 R HA -0.240 4.101 4.340 0.001 0.000 0.362 223 R C 1.192 177.477 176.300 -0.026 0.000 1.183 223 R CA 1.508 57.594 56.100 -0.025 0.000 1.011 223 R CB -1.908 28.372 30.300 -0.032 0.000 1.501 223 R HN 0.800 nan 8.270 nan 0.000 0.553 224 G N -1.098 107.693 108.800 -0.014 0.000 2.380 224 G HA2 -0.265 3.696 3.960 0.001 0.000 0.197 224 G HA3 -0.265 3.696 3.960 0.001 0.000 0.197 224 G C -0.123 174.761 174.900 -0.027 0.000 1.001 224 G CA -0.050 45.044 45.100 -0.011 0.000 0.668 224 G HN 0.326 nan 8.290 nan 0.000 0.483 225 N N 1.408 120.079 118.700 -0.049 0.000 2.807 225 N HA 0.391 5.131 4.740 0.001 0.000 0.259 225 N C -0.143 175.334 175.510 -0.055 0.000 1.149 225 N CA -0.337 52.665 53.050 -0.081 0.000 1.042 225 N CB 0.110 38.545 38.487 -0.085 0.000 1.367 225 N HN 0.177 nan 8.380 nan 0.000 0.516 226 L N 2.519 123.726 121.223 -0.027 0.000 2.456 226 L HA 0.162 4.502 4.340 0.001 0.000 0.272 226 L C 0.688 177.676 176.870 0.197 0.000 1.189 226 L CA 0.735 55.643 54.840 0.114 0.000 0.846 226 L CB 0.426 42.631 42.059 0.243 0.000 1.111 226 L HN 0.271 nan 8.230 nan 0.000 0.475 227 R N 1.219 121.881 120.500 0.270 0.000 2.561 227 R HA 0.446 4.787 4.340 0.001 0.000 0.297 227 R C -0.687 175.848 176.300 0.392 0.000 0.969 227 R CA -0.712 55.596 56.100 0.347 0.000 0.879 227 R CB 1.652 32.097 30.300 0.242 0.000 1.178 227 R HN 0.619 nan 8.270 nan 0.000 0.445 228 S N 1.535 117.463 115.700 0.381 0.000 2.525 228 S HA 0.368 4.838 4.470 0.001 0.000 0.285 228 S C -0.176 174.486 174.600 0.103 0.000 1.283 228 S CA -0.422 57.878 58.200 0.166 0.000 1.072 228 S CB 0.966 64.277 63.200 0.184 0.000 0.867 228 S HN 0.700 nan 8.310 nan 0.000 0.492 229 A N 3.300 126.131 122.820 0.018 0.000 2.513 229 A HA 0.667 4.988 4.320 0.001 0.000 0.296 229 A C -0.878 176.713 177.584 0.012 0.000 1.052 229 A CA -0.655 51.326 52.037 -0.093 0.000 0.714 229 A CB 0.963 19.847 19.000 -0.194 0.000 1.279 229 A HN 0.807 nan 8.150 nan 0.000 0.397 230 I N 1.226 121.794 120.570 -0.003 0.000 2.607 230 I HA 0.741 4.911 4.170 0.001 0.000 0.305 230 I C -0.372 175.873 176.117 0.214 0.000 0.995 230 I CA -0.129 61.292 61.300 0.201 0.000 1.148 230 I CB 2.175 40.229 38.000 0.090 0.000 1.323 230 I HN 0.622 nan 8.210 nan 0.000 0.461 231 T N 5.441 120.198 114.554 0.338 0.000 2.886 231 T HA 0.476 4.827 4.350 0.001 0.000 0.292 231 T C -1.109 173.548 174.700 -0.071 0.000 1.012 231 T CA -0.373 61.815 62.100 0.146 0.000 0.982 231 T CB 1.750 70.751 68.868 0.223 0.000 1.018 231 T HN 0.247 nan 8.240 nan 0.000 0.451 232 V N 4.468 124.201 119.914 -0.303 0.000 2.325 232 V HA 0.483 4.604 4.120 0.001 0.000 0.280 232 V C -0.551 175.308 176.094 -0.392 0.000 1.016 232 V CA -0.889 61.250 62.300 -0.269 0.000 0.818 232 V CB -0.017 31.582 31.823 -0.372 0.000 1.019 232 V HN 0.763 nan 8.190 nan 0.000 0.434 233 F N 4.526 124.425 119.950 -0.086 0.000 2.368 233 F HA 0.468 4.995 4.527 0.001 0.000 0.308 233 F C -1.634 174.100 175.800 -0.110 0.000 1.198 233 F CA -2.271 55.619 58.000 -0.183 0.000 1.130 233 F CB 0.083 38.993 39.000 -0.150 0.000 1.300 233 F HN 0.274 nan 8.300 nan 0.000 0.537 234 P HA -0.075 nan 4.420 nan 0.000 0.266 234 P C -0.570 176.743 177.300 0.022 0.000 1.180 234 P CA 0.146 63.150 63.100 -0.161 0.000 0.765 234 P CB 0.319 31.668 31.700 -0.585 0.000 0.806 235 Q N 3.631 123.411 119.800 -0.033 0.000 2.455 235 Q HA 0.202 4.542 4.340 0.001 0.000 0.184 235 Q C -0.187 175.707 176.000 -0.176 0.000 1.145 235 Q CA -0.037 55.534 55.803 -0.388 0.000 1.123 235 Q CB 0.350 28.663 28.738 -0.707 0.000 2.291 235 Q HN 0.292 nan 8.270 nan 0.000 0.584 236 R N 0.154 120.515 120.500 -0.231 0.000 2.363 236 R HA 0.470 4.811 4.340 0.001 0.000 0.297 236 R C -1.120 175.146 176.300 -0.057 0.000 1.208 236 R CA -0.311 55.733 56.100 -0.094 0.000 1.121 236 R CB 1.519 31.748 30.300 -0.119 0.000 1.124 236 R HN 0.664 nan 8.270 nan 0.000 0.561 237 A N 4.996 127.822 122.820 0.011 0.000 2.477 237 A HA 0.247 4.568 4.320 0.001 0.000 0.246 237 A C -1.183 176.408 177.584 0.010 0.000 1.078 237 A CA -0.978 51.071 52.037 0.020 0.000 0.770 237 A CB 0.225 19.262 19.000 0.061 0.000 1.011 237 A HN 0.421 nan 8.150 nan 0.000 0.494 238 P HA -0.121 nan 4.420 nan 0.000 0.202 238 P C 0.939 178.242 177.300 0.005 0.000 1.149 238 P CA 1.616 64.713 63.100 -0.004 0.000 0.931 238 P CB -0.332 31.368 31.700 -0.000 0.000 0.762 239 G N 0.494 109.301 108.800 0.011 0.000 2.351 239 G HA2 0.482 4.443 3.960 0.001 0.000 0.287 239 G HA3 0.482 4.443 3.960 0.001 0.000 0.287 239 G C -0.232 174.680 174.900 0.021 0.000 1.159 239 G CA -0.015 45.094 45.100 0.015 0.000 0.929 239 G HN 0.696 nan 8.290 nan 0.000 0.435 240 R N 0.626 121.139 120.500 0.022 0.000 5.082 240 R HA 0.277 4.617 4.340 0.001 0.000 0.241 240 R C 0.189 176.506 176.300 0.029 0.000 0.927 240 R CA -0.037 56.079 56.100 0.027 0.000 1.151 240 R CB -0.802 29.519 30.300 0.035 0.000 1.325 240 R HN 1.356 nan 8.270 nan 0.000 0.636 241 G N 0.811 109.623 108.800 0.019 0.000 2.939 241 G HA2 0.275 4.236 3.960 0.001 0.000 0.257 241 G HA3 0.275 4.236 3.960 0.001 0.000 0.257 241 G C -0.944 173.976 174.900 0.033 0.000 1.259 241 G CA 0.474 45.581 45.100 0.013 0.000 0.928 241 G HN 0.774 nan 8.290 nan 0.000 0.615 242 D N -1.349 119.072 120.400 0.036 0.000 2.342 242 D HA 0.436 5.077 4.640 0.001 0.000 0.243 242 D C -0.487 175.847 176.300 0.057 0.000 1.019 242 D CA -0.470 53.588 54.000 0.096 0.000 0.864 242 D CB 1.196 42.054 40.800 0.096 0.000 1.315 242 D HN 0.176 nan 8.370 nan 0.000 0.468 243 F N 1.588 121.570 119.950 0.054 0.000 2.543 243 F HA 0.289 4.817 4.527 0.001 0.000 0.375 243 F C 0.916 176.744 175.800 0.046 0.000 1.075 243 F CA 0.286 58.307 58.000 0.035 0.000 1.225 243 F CB 0.407 39.432 39.000 0.042 0.000 1.099 243 F HN -0.129 nan 8.300 nan 0.000 0.561 244 R N 4.009 124.602 120.500 0.155 0.000 2.564 244 R HA 0.471 4.812 4.340 0.001 0.000 0.284 244 R C -0.920 175.495 176.300 0.192 0.000 1.031 244 R CA -0.876 55.341 56.100 0.196 0.000 0.904 244 R CB 1.979 32.445 30.300 0.277 0.000 1.199 244 R HN 0.605 nan 8.270 nan 0.000 0.443 245 I N 2.262 122.918 120.570 0.144 0.000 2.428 245 I HA 0.116 4.286 4.170 0.001 0.000 0.289 245 I C 0.567 176.882 176.117 0.330 0.000 1.019 245 I CA -0.209 61.184 61.300 0.156 0.000 1.351 245 I CB 1.036 39.063 38.000 0.045 0.000 1.412 245 I HN 0.532 nan 8.210 nan 0.000 0.513 246 W N 3.270 124.597 121.300 0.044 0.000 2.576 246 W HA 0.075 4.736 4.660 0.001 0.000 0.275 246 W C 1.056 177.653 176.519 0.130 0.000 1.241 246 W CA -0.142 57.286 57.345 0.139 0.000 1.328 246 W CB -0.597 28.945 29.460 0.136 0.000 1.092 246 W HN 0.387 nan 8.180 nan 0.000 0.586 247 N N -0.052 118.803 118.700 0.257 0.000 2.381 247 N HA -0.035 4.705 4.740 0.001 0.000 0.241 247 N C 1.393 176.961 175.510 0.096 0.000 1.279 247 N CA 1.055 54.183 53.050 0.130 0.000 0.896 247 N CB 0.925 39.434 38.487 0.037 0.000 1.118 247 N HN -0.109 nan 8.380 nan 0.000 0.438 248 S N 0.210 115.952 115.700 0.070 0.000 2.441 248 S HA 0.091 4.562 4.470 0.001 0.000 0.224 248 S C 0.517 175.110 174.600 -0.011 0.000 1.043 248 S CA 0.353 58.579 58.200 0.044 0.000 0.948 248 S CB 0.163 63.409 63.200 0.076 0.000 0.810 248 S HN 0.583 nan 8.310 nan 0.000 0.504 249 Q N -0.546 119.246 119.800 -0.015 0.000 2.712 249 Q HA 0.599 4.939 4.340 0.001 0.000 0.267 249 Q C 0.577 176.521 176.000 -0.093 0.000 1.062 249 Q CA -0.648 55.122 55.803 -0.056 0.000 0.888 249 Q CB 1.329 30.078 28.738 0.017 0.000 1.374 249 Q HN 0.131 nan 8.270 nan 0.000 0.498 250 L N -0.251 120.901 121.223 -0.118 0.000 2.121 250 L HA 0.143 4.484 4.340 0.001 0.000 0.200 250 L C 0.246 176.990 176.870 -0.210 0.000 1.132 250 L CA 0.151 54.909 54.840 -0.136 0.000 0.782 250 L CB 0.132 42.113 42.059 -0.129 0.000 0.940 250 L HN 0.323 nan 8.230 nan 0.000 0.458 251 V N 1.808 121.549 119.914 -0.288 0.000 2.529 251 V HA 0.126 4.247 4.120 0.001 0.000 0.292 251 V C 0.054 175.627 176.094 -0.870 0.000 1.028 251 V CA 0.137 62.074 62.300 -0.604 0.000 1.074 251 V CB 0.068 31.437 31.823 -0.756 0.000 0.958 251 V HN 0.345 nan 8.190 nan 0.000 0.481 252 R N 2.593 122.618 120.500 -0.792 0.000 2.739 252 R HA 0.462 4.803 4.340 0.001 0.000 0.271 252 R C -1.765 174.166 176.300 -0.615 0.000 1.010 252 R CA -0.890 54.828 56.100 -0.637 0.000 0.897 252 R CB 2.052 32.194 30.300 -0.263 0.000 1.236 252 R HN 0.574 nan 8.270 nan 0.000 0.466 253 Y N 0.331 120.538 120.300 -0.154 0.000 2.320 253 Y HA 0.390 4.940 4.550 0.001 0.000 0.334 253 Y C 0.794 176.630 175.900 -0.107 0.000 1.055 253 Y CA -0.608 57.456 58.100 -0.060 0.000 1.143 253 Y CB 1.419 39.949 38.460 0.116 0.000 1.193 253 Y HN 0.678 nan 8.280 nan 0.000 0.477 254 A N 2.332 125.167 122.820 0.026 0.000 2.546 254 A HA 0.452 4.772 4.320 0.001 0.000 0.243 254 A C 0.753 178.063 177.584 -0.456 0.000 1.063 254 A CA 0.400 52.273 52.037 -0.274 0.000 0.757 254 A CB -0.366 18.424 19.000 -0.350 0.000 0.991 254 A HN 0.958 nan 8.150 nan 0.000 0.503 255 G N 1.939 110.484 108.800 -0.425 0.000 2.671 255 G HA2 0.519 4.479 3.960 0.001 0.000 0.318 255 G HA3 0.519 4.479 3.960 0.001 0.000 0.318 255 G C -0.888 173.852 174.900 -0.266 0.000 1.250 255 G CA -0.289 44.607 45.100 -0.339 0.000 1.028 255 G HN 0.569 nan 8.290 nan 0.000 0.501 256 Y N 1.667 121.973 120.300 0.011 0.000 2.535 256 Y HA 0.340 4.890 4.550 0.001 0.000 0.349 256 Y C 1.121 177.021 175.900 -0.002 0.000 0.992 256 Y CA -1.109 57.004 58.100 0.021 0.000 1.248 256 Y CB 0.738 39.214 38.460 0.026 0.000 1.124 256 Y HN 0.538 nan 8.280 nan 0.000 0.520 257 R N 2.495 123.069 120.500 0.124 0.000 2.538 257 R HA 0.032 4.372 4.340 0.001 0.000 0.282 257 R C -0.430 175.909 176.300 0.065 0.000 1.009 257 R CA 0.023 56.163 56.100 0.068 0.000 1.063 257 R CB 0.421 30.747 30.300 0.044 0.000 0.945 257 R HN 0.648 nan 8.270 nan 0.000 0.414 258 Q N 1.883 121.709 119.800 0.043 0.000 2.199 258 Q HA 0.101 4.441 4.340 0.001 0.000 0.232 258 Q C 0.701 176.711 176.000 0.017 0.000 0.969 258 Q CA -0.300 55.519 55.803 0.026 0.000 0.925 258 Q CB 1.434 30.184 28.738 0.020 0.000 1.198 258 Q HN 0.627 nan 8.270 nan 0.000 0.494 259 Q N 0.271 120.077 119.800 0.009 0.000 2.050 259 Q HA -0.148 4.192 4.340 0.001 0.000 0.202 259 Q C 0.339 176.343 176.000 0.006 0.000 0.980 259 Q CA 1.647 57.454 55.803 0.006 0.000 0.840 259 Q CB -0.119 28.619 28.738 0.001 0.000 0.898 259 Q HN 0.626 nan 8.270 nan 0.000 0.424 260 D N 0.110 120.514 120.400 0.006 0.000 2.423 260 D HA -0.016 4.625 4.640 0.001 0.000 0.263 260 D C 0.893 177.198 176.300 0.007 0.000 1.255 260 D CA 0.904 54.907 54.000 0.006 0.000 0.965 260 D CB -1.028 39.775 40.800 0.005 0.000 0.933 260 D HN 0.438 nan 8.370 nan 0.000 0.507 261 G N -0.035 108.770 108.800 0.008 0.000 2.219 261 G HA2 -0.356 3.605 3.960 0.001 0.000 0.271 261 G HA3 -0.356 3.605 3.960 0.001 0.000 0.271 261 G C 0.484 175.389 174.900 0.009 0.000 0.991 261 G CA 0.792 45.897 45.100 0.009 0.000 0.685 261 G HN 0.625 nan 8.290 nan 0.000 0.531 262 S N -1.340 114.365 115.700 0.010 0.000 2.603 262 S HA 0.579 5.050 4.470 0.001 0.000 0.268 262 S C 0.157 174.764 174.600 0.011 0.000 1.317 262 S CA 0.102 58.307 58.200 0.009 0.000 1.012 262 S CB 1.348 64.554 63.200 0.011 0.000 0.926 262 S HN 0.859 nan 8.310 nan 0.000 0.539 263 V N 4.834 124.749 119.914 0.002 0.000 2.462 263 V HA 0.372 4.493 4.120 0.001 0.000 0.288 263 V C -0.135 175.946 176.094 -0.022 0.000 1.020 263 V CA -0.861 61.434 62.300 -0.009 0.000 0.857 263 V CB 1.315 33.116 31.823 -0.035 0.000 1.013 263 V HN 0.901 nan 8.190 nan 0.000 0.431 264 R N 3.592 124.107 120.500 0.025 0.000 2.491 264 R HA 0.616 4.956 4.340 0.001 0.000 0.283 264 R C 0.872 177.138 176.300 -0.057 0.000 1.072 264 R CA 1.613 57.735 56.100 0.036 0.000 1.048 264 R CB 0.547 30.938 30.300 0.151 0.000 0.983 264 R HN 1.326 nan 8.270 nan 0.000 0.450 265 G N 2.871 111.570 108.800 -0.168 0.000 2.553 265 G HA2 -0.279 3.682 3.960 0.001 0.000 0.242 265 G HA3 -0.279 3.682 3.960 0.001 0.000 0.242 265 G C -1.155 173.258 174.900 -0.812 0.000 1.277 265 G CA 0.060 44.934 45.100 -0.377 0.000 0.910 265 G HN 0.752 nan 8.290 nan 0.000 0.576 266 D N 1.551 121.588 120.400 -0.604 0.000 2.380 266 D HA 0.491 5.132 4.640 0.001 0.000 0.230 266 D C -0.819 175.347 176.300 -0.224 0.000 1.154 266 D CA -1.830 51.858 54.000 -0.520 0.000 0.859 266 D CB 1.170 42.005 40.800 0.059 0.000 1.045 266 D HN -0.004 nan 8.370 nan 0.000 0.495 267 P HA -0.106 nan 4.420 nan 0.000 0.217 267 P C 0.582 177.869 177.300 -0.022 0.000 1.148 267 P CA 0.948 63.993 63.100 -0.092 0.000 0.828 267 P CB 0.218 31.878 31.700 -0.067 0.000 0.783 268 A N -1.142 121.690 122.820 0.020 0.000 2.310 268 A HA 0.058 4.379 4.320 0.001 0.000 0.230 268 A C 1.100 178.724 177.584 0.066 0.000 1.294 268 A CA 0.432 52.505 52.037 0.060 0.000 0.898 268 A CB -0.972 18.085 19.000 0.095 0.000 0.917 268 A HN 0.111 nan 8.150 nan 0.000 0.491 269 N N -1.302 117.416 118.700 0.029 0.000 2.184 269 N HA 0.068 4.808 4.740 0.001 0.000 0.234 269 N C 1.040 176.538 175.510 -0.019 0.000 1.282 269 N CA 0.119 53.178 53.050 0.016 0.000 0.877 269 N CB 0.849 39.337 38.487 0.002 0.000 1.184 269 N HN 0.142 nan 8.380 nan 0.000 0.510 270 V N 1.438 121.344 119.914 -0.014 0.000 2.295 270 V HA -0.233 3.888 4.120 0.001 0.000 0.246 270 V C 2.449 178.538 176.094 -0.009 0.000 1.049 270 V CA 1.992 64.281 62.300 -0.019 0.000 1.024 270 V CB -0.148 31.671 31.823 -0.007 0.000 0.648 270 V HN 0.360 nan 8.190 nan 0.000 0.447 271 E N -0.162 120.039 120.200 0.003 0.000 2.005 271 E HA -0.292 4.058 4.350 0.001 0.000 0.198 271 E C 2.168 178.727 176.600 -0.068 0.000 1.010 271 E CA 2.198 58.585 56.400 -0.022 0.000 0.825 271 E CB -0.326 29.391 29.700 0.027 0.000 0.769 271 E HN 0.537 nan 8.360 nan 0.000 0.456 272 I N 0.875 121.416 120.570 -0.048 0.000 2.315 272 I HA -0.265 3.905 4.170 0.001 0.000 0.251 272 I C 1.966 178.051 176.117 -0.053 0.000 1.125 272 I CA 1.869 63.129 61.300 -0.066 0.000 1.392 272 I CB -0.309 37.699 38.000 0.014 0.000 1.065 272 I HN 0.141 nan 8.210 nan 0.000 0.424 273 T N 1.149 115.680 114.554 -0.039 0.000 2.652 273 T HA -0.209 4.142 4.350 0.001 0.000 0.267 273 T C 1.571 176.316 174.700 0.076 0.000 1.039 273 T CA 2.077 64.178 62.100 0.002 0.000 1.153 273 T CB -0.498 68.367 68.868 -0.005 0.000 0.863 273 T HN 0.616 nan 8.240 nan 0.000 0.428 274 E N 1.323 121.549 120.200 0.043 0.000 2.268 274 E HA 0.042 4.393 4.350 0.001 0.000 0.195 274 E C 2.110 178.711 176.600 0.002 0.000 0.995 274 E CA 0.468 56.893 56.400 0.042 0.000 0.836 274 E CB -0.437 29.268 29.700 0.008 0.000 0.763 274 E HN 0.391 nan 8.360 nan 0.000 0.491 275 L N 0.580 121.782 121.223 -0.036 0.000 2.027 275 L HA -0.191 4.150 4.340 0.001 0.000 0.206 275 L C 2.439 179.359 176.870 0.083 0.000 1.074 275 L CA 0.982 55.815 54.840 -0.011 0.000 0.745 275 L CB -0.565 41.465 42.059 -0.048 0.000 0.898 275 L HN 0.362 nan 8.230 nan 0.000 0.433 276 C N -0.067 119.272 119.300 0.065 0.000 2.413 276 C HA -0.166 4.295 4.460 0.001 0.000 0.276 276 C C 2.669 177.780 174.990 0.201 0.000 1.248 276 C CA 0.190 59.252 59.018 0.073 0.000 1.742 276 C CB -0.716 26.966 27.740 -0.096 0.000 2.017 276 C HN 0.384 nan 8.230 nan 0.000 0.481 277 I N 0.760 121.466 120.570 0.228 0.000 2.039 277 I HA -0.340 3.830 4.170 0.001 0.000 0.233 277 I C 2.878 179.038 176.117 0.070 0.000 1.040 277 I CA 2.244 63.657 61.300 0.188 0.000 1.308 277 I CB -0.726 37.367 38.000 0.155 0.000 1.035 277 I HN 0.414 nan 8.210 nan 0.000 0.392 278 Q N 0.395 120.186 119.800 -0.016 0.000 2.268 278 Q HA -0.286 4.054 4.340 0.001 0.000 0.210 278 Q C 1.418 177.297 176.000 -0.201 0.000 0.988 278 Q CA 2.009 57.734 55.803 -0.130 0.000 0.883 278 Q CB -0.319 28.298 28.738 -0.202 0.000 0.911 278 Q HN 0.672 nan 8.270 nan 0.000 0.430 279 H N -1.808 117.253 119.070 -0.015 0.000 2.524 279 H HA 0.251 4.807 4.556 0.001 0.000 0.280 279 H C 0.655 175.963 175.328 -0.033 0.000 1.018 279 H CA 0.378 56.395 56.048 -0.051 0.000 1.165 279 H CB 0.763 30.457 29.762 -0.113 0.000 1.411 279 H HN 0.519 nan 8.280 nan 0.000 0.569 280 G N -0.256 108.600 108.800 0.093 0.000 2.159 280 G HA2 -0.231 3.729 3.960 0.001 0.000 0.170 280 G HA3 -0.231 3.729 3.960 0.001 0.000 0.170 280 G C -0.287 174.684 174.900 0.119 0.000 1.007 280 G CA -0.327 44.813 45.100 0.067 0.000 0.672 280 G HN 0.323 nan 8.290 nan 0.000 0.507 281 W N 2.532 123.813 121.300 -0.031 0.000 2.313 281 W HA 0.655 5.316 4.660 0.001 0.000 0.328 281 W C 0.463 176.976 176.519 -0.010 0.000 1.197 281 W CA 0.275 57.605 57.345 -0.025 0.000 1.235 281 W CB 1.018 30.474 29.460 -0.007 0.000 1.158 281 W HN 0.151 nan 8.180 nan 0.000 0.578 282 T N 7.573 121.720 114.554 -0.678 0.000 2.728 282 T HA 0.286 4.636 4.350 0.001 0.000 0.296 282 T C -2.247 171.524 174.700 -1.547 0.000 0.940 282 T CA -1.267 60.344 62.100 -0.814 0.000 1.013 282 T CB 0.747 69.325 68.868 -0.483 0.000 0.912 282 T HN 0.223 nan 8.240 nan 0.000 0.484 283 P HA 0.317 nan 4.420 nan 0.000 0.277 283 P C 0.625 177.573 177.300 -0.586 0.000 1.240 283 P CA -0.289 62.239 63.100 -0.954 0.000 0.798 283 P CB 0.964 32.442 31.700 -0.369 0.000 0.979 284 G N 1.254 109.897 108.800 -0.261 0.000 2.873 284 G HA2 0.194 4.155 3.960 0.001 0.000 0.170 284 G HA3 0.194 4.155 3.960 0.001 0.000 0.170 284 G C 0.406 175.004 174.900 -0.502 0.000 1.608 284 G CA -0.023 44.968 45.100 -0.182 0.000 1.084 284 G HN 0.775 nan 8.290 nan 0.000 0.563 285 N N -1.323 117.189 118.700 -0.312 0.000 2.695 285 N HA 0.040 4.780 4.740 0.001 0.000 0.195 285 N C 0.291 175.794 175.510 -0.011 0.000 1.317 285 N CA 0.377 53.194 53.050 -0.388 0.000 1.879 285 N CB -0.711 37.549 38.487 -0.378 0.000 1.174 285 N HN 0.751 nan 8.380 nan 0.000 0.682 286 G N 1.085 109.955 108.800 0.117 0.000 2.503 286 G HA2 0.304 4.264 3.960 0.001 0.000 0.257 286 G HA3 0.304 4.264 3.960 0.001 0.000 0.257 286 G C 0.860 175.880 174.900 0.200 0.000 1.214 286 G CA -0.497 44.702 45.100 0.166 0.000 0.839 286 G HN 0.226 nan 8.290 nan 0.000 0.559 287 R N 0.067 120.608 120.500 0.069 0.000 2.096 287 R HA -0.059 4.281 4.340 0.001 0.000 0.235 287 R C -0.108 175.921 176.300 -0.451 0.000 1.127 287 R CA 1.011 56.996 56.100 -0.192 0.000 0.968 287 R CB -0.081 30.005 30.300 -0.355 0.000 0.861 287 R HN 0.430 nan 8.270 nan 0.000 0.440 288 F N 1.210 121.161 119.950 0.002 0.000 2.359 288 F HA 0.289 4.816 4.527 0.001 0.000 0.369 288 F C -0.784 175.080 175.800 0.107 0.000 1.084 288 F CA -1.045 56.774 58.000 -0.301 0.000 1.096 288 F CB 1.177 39.829 39.000 -0.580 0.000 1.335 288 F HN -0.256 nan 8.300 nan 0.000 0.457 289 D N 2.255 122.931 120.400 0.460 0.000 2.542 289 D HA 0.252 4.892 4.640 0.001 0.000 0.252 289 D C -0.509 176.040 176.300 0.415 0.000 1.222 289 D CA -0.300 53.970 54.000 0.450 0.000 0.895 289 D CB 2.602 43.694 40.800 0.487 0.000 1.207 289 D HN 0.041 nan 8.370 nan 0.000 0.558 290 V N 3.450 123.534 119.914 0.282 0.000 2.434 290 V HA -0.030 4.091 4.120 0.001 0.000 0.281 290 V C 1.193 177.255 176.094 -0.054 0.000 1.005 290 V CA -0.168 62.129 62.300 -0.004 0.000 1.089 290 V CB -0.309 31.479 31.823 -0.058 0.000 0.978 290 V HN 0.423 nan 8.190 nan 0.000 0.474 291 L N 8.859 129.968 121.223 -0.191 0.000 2.578 291 L HA 0.115 4.456 4.340 0.001 0.000 0.279 291 L C -1.160 175.478 176.870 -0.386 0.000 1.227 291 L CA -0.951 53.660 54.840 -0.382 0.000 0.900 291 L CB 0.601 42.464 42.059 -0.328 0.000 1.144 291 L HN 0.491 nan 8.230 nan 0.000 0.496 292 P HA 0.020 nan 4.420 nan 0.000 0.273 292 P C -0.907 176.241 177.300 -0.254 0.000 1.258 292 P CA -0.199 62.643 63.100 -0.430 0.000 0.802 292 P CB 0.790 32.020 31.700 -0.782 0.000 1.040 293 L N 0.437 121.597 121.223 -0.105 0.000 2.325 293 L HA 0.379 4.719 4.340 0.001 0.000 0.281 293 L C 0.069 176.934 176.870 -0.008 0.000 1.004 293 L CA -0.847 53.985 54.840 -0.014 0.000 0.823 293 L CB 1.263 43.389 42.059 0.112 0.000 1.236 293 L HN 0.236 nan 8.230 nan 0.000 0.415 294 L N 5.501 126.699 121.223 -0.042 0.000 2.261 294 L HA 0.420 4.761 4.340 0.001 0.000 0.289 294 L C -0.437 176.345 176.870 -0.147 0.000 1.059 294 L CA -0.117 54.632 54.840 -0.151 0.000 0.816 294 L CB 0.690 42.604 42.059 -0.241 0.000 1.191 294 L HN 0.405 nan 8.230 nan 0.000 0.431 295 L N 4.367 125.515 121.223 -0.126 0.000 2.322 295 L HA 0.515 4.856 4.340 0.001 0.000 0.281 295 L C -0.264 176.476 176.870 -0.217 0.000 1.014 295 L CA -0.438 54.330 54.840 -0.120 0.000 0.815 295 L CB 1.758 43.768 42.059 -0.081 0.000 1.247 295 L HN 0.586 nan 8.230 nan 0.000 0.421 296 Q N 2.746 122.431 119.800 -0.191 0.000 2.339 296 Q HA 0.655 4.995 4.340 0.001 0.000 0.268 296 Q C -1.009 174.839 176.000 -0.253 0.000 1.027 296 Q CA -0.500 55.175 55.803 -0.214 0.000 0.759 296 Q CB 2.072 30.754 28.738 -0.093 0.000 1.244 296 Q HN 0.814 nan 8.270 nan 0.000 0.464 297 A N 4.899 127.501 122.820 -0.363 0.000 2.246 297 A HA 0.683 5.003 4.320 0.001 0.000 0.291 297 A C -2.427 174.828 177.584 -0.548 0.000 1.103 297 A CA -1.536 50.035 52.037 -0.777 0.000 0.844 297 A CB 0.041 18.704 19.000 -0.563 0.000 1.136 297 A HN 0.621 nan 8.150 nan 0.000 0.500 298 P HA 0.119 nan 4.420 nan 0.000 0.264 298 P C -0.782 176.435 177.300 -0.138 0.000 1.193 298 P CA 0.583 63.525 63.100 -0.262 0.000 0.763 298 P CB 0.175 31.780 31.700 -0.159 0.000 0.810 299 D N -0.396 119.964 120.400 -0.068 0.000 2.955 299 D HA -0.180 4.460 4.640 0.001 0.000 0.226 299 D C -0.187 176.090 176.300 -0.039 0.000 1.178 299 D CA 1.206 55.191 54.000 -0.026 0.000 0.808 299 D CB -0.882 39.911 40.800 -0.012 0.000 1.099 299 D HN 0.397 nan 8.370 nan 0.000 0.421 300 E N 0.023 120.178 120.200 -0.076 0.000 2.175 300 E HA 0.586 4.937 4.350 0.001 0.000 0.278 300 E C 0.209 176.746 176.600 -0.104 0.000 0.969 300 E CA -0.667 55.679 56.400 -0.090 0.000 0.796 300 E CB 1.269 30.895 29.700 -0.123 0.000 1.104 300 E HN 0.265 nan 8.360 nan 0.000 0.395 301 A N 6.168 128.932 122.820 -0.094 0.000 2.563 301 A HA 0.109 4.430 4.320 0.001 0.000 0.256 301 A C -1.798 175.581 177.584 -0.340 0.000 1.056 301 A CA -0.658 51.280 52.037 -0.164 0.000 0.775 301 A CB -0.776 18.169 19.000 -0.090 0.000 0.973 301 A HN 0.317 nan 8.150 nan 0.000 0.516 302 P HA 0.108 nan 4.420 nan 0.000 0.268 302 P C -0.453 176.497 177.300 -0.584 0.000 1.208 302 P CA 0.297 62.953 63.100 -0.739 0.000 0.777 302 P CB 0.581 31.393 31.700 -1.480 0.000 0.875 303 E N 0.790 120.780 120.200 -0.349 0.000 2.207 303 E HA 0.452 4.802 4.350 0.001 0.000 0.270 303 E C -0.828 175.607 176.600 -0.274 0.000 0.927 303 E CA -1.139 55.092 56.400 -0.282 0.000 0.799 303 E CB 1.285 30.902 29.700 -0.139 0.000 1.172 303 E HN 0.210 nan 8.360 nan 0.000 0.404 304 L N 2.953 123.899 121.223 -0.461 0.000 2.265 304 L HA 0.417 4.758 4.340 0.001 0.000 0.288 304 L C -1.589 174.888 176.870 -0.655 0.000 1.058 304 L CA 0.000 54.611 54.840 -0.382 0.000 0.809 304 L CB -0.319 41.583 42.059 -0.262 0.000 1.179 304 L HN 0.459 nan 8.230 nan 0.000 0.429 305 F N 3.793 123.562 119.950 -0.302 0.000 2.551 305 F HA 0.563 5.091 4.527 0.001 0.000 0.316 305 F C -0.127 175.472 175.800 -0.335 0.000 1.089 305 F CA -0.893 56.798 58.000 -0.515 0.000 0.915 305 F CB 2.098 40.533 39.000 -0.943 0.000 1.186 305 F HN 0.010 nan 8.300 nan 0.000 0.456 306 V N 4.205 124.041 119.914 -0.129 0.000 2.398 306 V HA 0.320 4.441 4.120 0.001 0.000 0.286 306 V C -0.112 176.138 176.094 0.260 0.000 1.026 306 V CA -0.822 61.516 62.300 0.064 0.000 0.868 306 V CB 1.797 33.674 31.823 0.090 0.000 0.982 306 V HN 0.540 nan 8.190 nan 0.000 0.443 307 L N 8.072 129.438 121.223 0.238 0.000 2.433 307 L HA 0.239 4.580 4.340 0.001 0.000 0.275 307 L C -1.932 175.043 176.870 0.175 0.000 1.128 307 L CA -1.444 53.536 54.840 0.234 0.000 0.875 307 L CB 0.664 42.784 42.059 0.101 0.000 1.171 307 L HN 0.458 nan 8.230 nan 0.000 0.463 308 P HA -0.071 nan 4.420 nan 0.000 0.257 308 P C -1.925 175.428 177.300 0.088 0.000 1.153 308 P CA -0.690 62.486 63.100 0.127 0.000 0.762 308 P CB 0.109 31.868 31.700 0.098 0.000 0.743 309 P HA -0.226 nan 4.420 nan 0.000 0.217 309 P C 1.145 178.481 177.300 0.060 0.000 1.148 309 P CA 1.565 64.711 63.100 0.077 0.000 0.834 309 P CB 0.019 31.765 31.700 0.076 0.000 0.783 310 E N -0.582 119.648 120.200 0.049 0.000 2.476 310 E HA 0.012 4.363 4.350 0.001 0.000 0.199 310 E C 1.764 178.382 176.600 0.030 0.000 1.021 310 E CA 0.142 56.564 56.400 0.037 0.000 0.907 310 E CB -1.145 28.573 29.700 0.031 0.000 0.974 310 E HN 0.230 nan 8.360 nan 0.000 0.489 311 L N 0.854 122.094 121.223 0.027 0.000 2.263 311 L HA -0.046 4.294 4.340 0.001 0.000 0.216 311 L C 0.763 177.649 176.870 0.025 0.000 1.111 311 L CA 0.686 55.536 54.840 0.016 0.000 0.773 311 L CB 0.057 42.113 42.059 -0.005 0.000 0.906 311 L HN -0.045 nan 8.230 nan 0.000 0.439 312 V N 0.369 120.301 119.914 0.029 0.000 2.472 312 V HA 0.245 4.366 4.120 0.001 0.000 0.290 312 V C -0.303 175.820 176.094 0.049 0.000 1.037 312 V CA -0.594 61.728 62.300 0.036 0.000 0.908 312 V CB 2.043 33.871 31.823 0.010 0.000 0.985 312 V HN -0.069 nan 8.190 nan 0.000 0.454 313 L N 5.194 126.459 121.223 0.070 0.000 2.313 313 L HA 0.561 4.901 4.340 0.001 0.000 0.283 313 L C -0.107 176.805 176.870 0.070 0.000 1.013 313 L CA 0.263 55.135 54.840 0.053 0.000 0.816 313 L CB 1.626 43.709 42.059 0.041 0.000 1.236 313 L HN 0.675 nan 8.230 nan 0.000 0.419 314 E N 2.158 122.382 120.200 0.039 0.000 2.232 314 E HA 0.660 5.011 4.350 0.001 0.000 0.264 314 E C -1.369 175.187 176.600 -0.073 0.000 0.973 314 E CA -0.833 55.594 56.400 0.045 0.000 0.849 314 E CB 2.287 32.038 29.700 0.084 0.000 1.198 314 E HN 0.300 nan 8.360 nan 0.000 0.407 315 V N 3.173 123.015 119.914 -0.120 0.000 2.409 315 V HA 0.354 4.475 4.120 0.001 0.000 0.291 315 V C -2.374 173.653 176.094 -0.112 0.000 1.020 315 V CA -2.028 60.123 62.300 -0.249 0.000 0.848 315 V CB 1.305 32.719 31.823 -0.681 0.000 0.990 315 V HN 0.572 nan 8.190 nan 0.000 0.430 316 P HA 0.364 nan 4.420 nan 0.000 0.279 316 P C -0.888 176.385 177.300 -0.045 0.000 1.239 316 P CA -0.304 62.761 63.100 -0.059 0.000 0.789 316 P CB 0.704 32.381 31.700 -0.040 0.000 0.933 317 L N 3.197 124.410 121.223 -0.015 0.000 2.265 317 L HA 0.417 4.757 4.340 0.001 0.000 0.289 317 L C 0.675 177.470 176.870 -0.125 0.000 1.033 317 L CA -0.320 54.490 54.840 -0.049 0.000 0.814 317 L CB 0.602 42.667 42.059 0.011 0.000 1.203 317 L HN 0.454 nan 8.230 nan 0.000 0.423 318 E N 1.884 121.957 120.200 -0.212 0.000 2.336 318 E HA 0.457 4.808 4.350 0.001 0.000 0.267 318 E C -1.065 175.270 176.600 -0.442 0.000 0.906 318 E CA -0.944 55.287 56.400 -0.282 0.000 0.781 318 E CB 2.288 31.951 29.700 -0.063 0.000 1.261 318 E HN 0.360 nan 8.360 nan 0.000 0.436 319 H N 2.229 120.941 119.070 -0.596 0.000 2.476 319 H HA 0.198 4.755 4.556 0.001 0.000 0.328 319 H C -1.812 173.239 175.328 -0.462 0.000 1.073 319 H CA -2.550 53.170 56.048 -0.547 0.000 1.229 319 H CB 1.745 31.201 29.762 -0.510 0.000 1.432 319 H HN 0.402 nan 8.280 nan 0.000 0.477 320 P HA -0.114 nan 4.420 nan 0.000 0.223 320 P C 0.815 177.963 177.300 -0.254 0.000 1.144 320 P CA 1.448 64.068 63.100 -0.801 0.000 0.783 320 P CB 0.433 31.512 31.700 -1.034 0.000 0.771 321 T N -5.375 109.193 114.554 0.024 0.000 3.029 321 T HA 0.173 4.524 4.350 0.001 0.000 0.256 321 T C 0.728 175.400 174.700 -0.047 0.000 0.914 321 T CA -0.218 61.895 62.100 0.021 0.000 0.880 321 T CB -0.583 68.317 68.868 0.054 0.000 1.246 321 T HN -0.055 nan 8.240 nan 0.000 0.523 322 L N 3.596 124.736 121.223 -0.139 0.000 2.387 322 L HA 0.345 4.686 4.340 0.001 0.000 0.267 322 L C 1.634 178.211 176.870 -0.488 0.000 1.197 322 L CA -0.494 54.022 54.840 -0.539 0.000 1.070 322 L CB 0.184 41.596 42.059 -1.078 0.000 1.349 322 L HN 0.399 nan 8.230 nan 0.000 0.422 323 E N 2.447 122.507 120.200 -0.234 0.000 2.132 323 E HA -0.317 4.033 4.350 0.001 0.000 0.218 323 E C 1.591 178.158 176.600 -0.055 0.000 1.058 323 E CA 2.225 58.576 56.400 -0.083 0.000 0.882 323 E CB -0.497 29.224 29.700 0.035 0.000 0.774 323 E HN 0.796 nan 8.360 nan 0.000 0.467 324 W N 0.767 122.114 121.300 0.079 0.000 2.364 324 W HA -0.140 4.521 4.660 0.001 0.000 0.281 324 W C 1.719 178.312 176.519 0.123 0.000 1.219 324 W CA 0.286 57.674 57.345 0.072 0.000 1.220 324 W CB -1.136 28.338 29.460 0.023 0.000 1.127 324 W HN -0.010 nan 8.180 nan 0.000 0.556 325 F N 3.154 122.860 119.950 -0.406 0.000 2.052 325 F HA -0.298 4.230 4.527 0.001 0.000 0.297 325 F C 2.798 178.628 175.800 0.051 0.000 1.166 325 F CA 3.368 61.221 58.000 -0.244 0.000 1.218 325 F CB -1.108 37.658 39.000 -0.389 0.000 0.943 325 F HN -0.056 nan 8.300 nan 0.000 0.521 326 A N 0.143 123.263 122.820 0.501 0.000 2.093 326 A HA -0.132 4.189 4.320 0.001 0.000 0.222 326 A C 2.132 179.864 177.584 0.246 0.000 1.162 326 A CA 1.683 53.945 52.037 0.375 0.000 0.655 326 A CB -1.726 17.382 19.000 0.180 0.000 0.805 326 A HN 0.700 nan 8.150 nan 0.000 0.461 327 A N -1.111 121.840 122.820 0.218 0.000 2.277 327 A HA 0.172 4.493 4.320 0.001 0.000 0.208 327 A C 1.757 179.429 177.584 0.147 0.000 1.202 327 A CA 1.007 53.145 52.037 0.168 0.000 0.762 327 A CB -0.561 18.541 19.000 0.170 0.000 0.770 327 A HN 0.499 nan 8.150 nan 0.000 0.487 328 L N -1.909 119.405 121.223 0.152 0.000 2.270 328 L HA 0.169 4.510 4.340 0.001 0.000 0.210 328 L C 1.981 178.939 176.870 0.147 0.000 1.104 328 L CA 1.068 55.970 54.840 0.104 0.000 0.804 328 L CB -0.007 42.042 42.059 -0.016 0.000 0.937 328 L HN 0.557 nan 8.230 nan 0.000 0.450 329 G N -0.388 108.507 108.800 0.159 0.000 2.179 329 G HA2 -0.262 3.699 3.960 0.001 0.000 0.260 329 G HA3 -0.262 3.699 3.960 0.001 0.000 0.260 329 G C 0.059 175.009 174.900 0.085 0.000 0.977 329 G CA -0.153 45.026 45.100 0.131 0.000 0.641 329 G HN 0.084 nan 8.290 nan 0.000 0.533 330 L N 1.378 122.670 121.223 0.115 0.000 2.453 330 L HA 0.566 4.906 4.340 0.001 0.000 0.272 330 L C 1.172 177.917 176.870 -0.209 0.000 1.182 330 L CA 0.542 55.380 54.840 -0.003 0.000 0.858 330 L CB 0.432 42.610 42.059 0.199 0.000 1.120 330 L HN 0.646 nan 8.230 nan 0.000 0.474 331 R N 2.362 122.482 120.500 -0.633 0.000 2.781 331 R HA 0.602 4.943 4.340 0.001 0.000 0.269 331 R C -1.797 174.452 176.300 -0.084 0.000 1.025 331 R CA -0.965 54.935 56.100 -0.333 0.000 0.914 331 R CB 1.853 31.946 30.300 -0.345 0.000 1.236 331 R HN 0.574 nan 8.270 nan 0.000 0.465 332 W N 1.815 123.078 121.300 -0.062 0.000 3.479 332 W HA 0.275 4.936 4.660 0.001 0.000 0.304 332 W C -1.182 175.476 176.519 0.231 0.000 1.243 332 W CA -0.995 56.464 57.345 0.190 0.000 1.202 332 W CB 1.853 31.369 29.460 0.092 0.000 1.346 332 W HN 0.713 nan 8.180 nan 0.000 0.539 333 Y N 1.567 121.884 120.300 0.030 0.000 2.397 333 Y HA 0.451 5.001 4.550 0.001 0.000 0.335 333 Y C 0.832 176.965 175.900 0.388 0.000 1.213 333 Y CA 0.540 58.683 58.100 0.071 0.000 1.391 333 Y CB 0.432 38.786 38.460 -0.176 0.000 1.293 333 Y HN 0.364 nan 8.280 nan 0.000 0.557 334 A N 3.151 126.186 122.820 0.359 0.000 2.016 334 A HA 0.041 4.361 4.320 0.001 0.000 0.217 334 A C 0.495 178.323 177.584 0.406 0.000 1.162 334 A CA 0.386 52.678 52.037 0.424 0.000 0.662 334 A CB -0.245 18.900 19.000 0.240 0.000 0.812 334 A HN 0.653 nan 8.150 nan 0.000 0.450 335 L N 1.822 123.260 121.223 0.360 0.000 2.264 335 L HA 0.401 4.742 4.340 0.001 0.000 0.287 335 L C -2.527 174.440 176.870 0.163 0.000 1.039 335 L CA -2.350 52.631 54.840 0.235 0.000 0.829 335 L CB 1.527 43.714 42.059 0.213 0.000 1.211 335 L HN -0.026 nan 8.230 nan 0.000 0.427 336 P HA 0.342 nan 4.420 nan 0.000 0.291 336 P C -1.393 175.831 177.300 -0.127 0.000 1.340 336 P CA -0.326 62.616 63.100 -0.263 0.000 0.799 336 P CB 1.252 32.477 31.700 -0.792 0.000 0.917 337 A N 4.361 127.137 122.820 -0.074 0.000 2.375 337 A HA 0.417 4.738 4.320 0.001 0.000 0.291 337 A C -0.343 177.036 177.584 -0.341 0.000 1.160 337 A CA -0.728 51.191 52.037 -0.196 0.000 0.747 337 A CB 1.000 19.924 19.000 -0.127 0.000 1.170 337 A HN 0.299 nan 8.150 nan 0.000 0.458 338 V N 2.946 122.439 119.914 -0.702 0.000 2.479 338 V HA 0.106 4.227 4.120 0.001 0.000 0.281 338 V C 0.971 176.742 176.094 -0.539 0.000 1.031 338 V CA 0.811 62.659 62.300 -0.753 0.000 1.038 338 V CB 1.045 32.125 31.823 -1.238 0.000 0.981 338 V HN 0.949 nan 8.190 nan 0.000 0.478 339 S N 3.347 118.893 115.700 -0.255 0.000 2.540 339 S HA 0.051 4.522 4.470 0.001 0.000 0.218 339 S C 1.125 175.706 174.600 -0.031 0.000 0.977 339 S CA 0.117 58.247 58.200 -0.116 0.000 0.918 339 S CB -0.202 62.959 63.200 -0.064 0.000 0.806 339 S HN 1.004 nan 8.310 nan 0.000 0.496 340 N N -0.011 118.663 118.700 -0.042 0.000 2.194 340 N HA 0.246 4.987 4.740 0.001 0.000 0.231 340 N C -0.305 175.233 175.510 0.047 0.000 1.247 340 N CA -0.205 52.857 53.050 0.020 0.000 0.884 340 N CB 0.338 38.839 38.487 0.023 0.000 1.146 340 N HN 0.199 nan 8.380 nan 0.000 0.516 341 M N 1.619 121.259 119.600 0.066 0.000 2.363 341 M HA 0.283 4.764 4.480 0.001 0.000 0.343 341 M C -0.776 175.649 176.300 0.208 0.000 1.165 341 M CA -1.028 54.340 55.300 0.113 0.000 1.046 341 M CB 2.626 35.288 32.600 0.102 0.000 1.648 341 M HN 0.088 nan 8.290 nan 0.000 0.452 342 L N 4.992 126.310 121.223 0.158 0.000 2.363 342 L HA 0.294 4.635 4.340 0.001 0.000 0.286 342 L C -0.765 176.196 176.870 0.152 0.000 1.106 342 L CA -0.337 54.592 54.840 0.148 0.000 0.859 342 L CB 0.103 42.207 42.059 0.074 0.000 1.223 342 L HN 0.614 nan 8.230 nan 0.000 0.446 343 L N 4.840 126.183 121.223 0.201 0.000 2.565 343 L HA 0.197 4.537 4.340 0.001 0.000 0.275 343 L C 0.176 177.059 176.870 0.021 0.000 1.137 343 L CA 0.812 55.647 54.840 -0.008 0.000 0.915 343 L CB -0.079 41.986 42.059 0.011 0.000 1.232 343 L HN 0.665 nan 8.230 nan 0.000 0.473 344 E N 6.807 126.936 120.200 -0.118 0.000 2.115 344 E HA 0.258 4.608 4.350 0.001 0.000 0.282 344 E C -1.096 175.416 176.600 -0.146 0.000 0.987 344 E CA -0.314 56.036 56.400 -0.082 0.000 0.797 344 E CB 0.618 30.264 29.700 -0.091 0.000 1.086 344 E HN 0.667 nan 8.360 nan 0.000 0.397 345 I N 2.611 123.134 120.570 -0.079 0.000 2.362 345 I HA 0.229 4.399 4.170 0.001 0.000 0.289 345 I C 0.971 176.883 176.117 -0.342 0.000 0.994 345 I CA -0.850 60.273 61.300 -0.295 0.000 1.158 345 I CB 1.737 39.521 38.000 -0.359 0.000 1.315 345 I HN 0.729 nan 8.210 nan 0.000 0.451 346 G N 4.712 113.262 108.800 -0.416 0.000 2.385 346 G HA2 -0.095 3.865 3.960 0.001 0.000 0.284 346 G HA3 -0.095 3.865 3.960 0.001 0.000 0.284 346 G C 1.024 175.991 174.900 0.111 0.000 0.899 346 G CA 0.961 46.009 45.100 -0.086 0.000 1.204 346 G HN 1.391 nan 8.290 nan 0.000 0.486 347 G N -1.240 107.591 108.800 0.051 0.000 2.399 347 G HA2 -0.225 3.736 3.960 0.001 0.000 0.216 347 G HA3 -0.225 3.736 3.960 0.001 0.000 0.216 347 G C 0.557 175.436 174.900 -0.035 0.000 1.096 347 G CA 0.265 45.408 45.100 0.071 0.000 0.650 347 G HN 1.190 nan 8.290 nan 0.000 0.512 348 L N 1.171 122.327 121.223 -0.111 0.000 2.421 348 L HA 0.660 5.001 4.340 0.001 0.000 0.263 348 L C 0.285 176.961 176.870 -0.322 0.000 1.122 348 L CA -0.467 54.192 54.840 -0.301 0.000 0.804 348 L CB 1.192 42.977 42.059 -0.457 0.000 1.150 348 L HN 0.236 nan 8.230 nan 0.000 0.457 349 E N 1.780 121.675 120.200 -0.507 0.000 2.185 349 E HA 0.343 4.693 4.350 0.001 0.000 0.261 349 E C -1.575 174.712 176.600 -0.522 0.000 0.879 349 E CA -0.364 55.831 56.400 -0.341 0.000 0.756 349 E CB 1.408 30.993 29.700 -0.192 0.000 1.152 349 E HN 0.235 nan 8.360 nan 0.000 0.416 350 F N 1.832 121.760 119.950 -0.036 0.000 2.293 350 F HA 0.128 4.655 4.527 0.001 0.000 0.370 350 F C 1.350 177.188 175.800 0.064 0.000 1.090 350 F CA -0.594 57.411 58.000 0.008 0.000 1.133 350 F CB 1.205 40.196 39.000 -0.015 0.000 1.360 350 F HN 0.370 nan 8.300 nan 0.000 0.489 351 S N 0.936 116.731 115.700 0.159 0.000 2.561 351 S HA 0.359 4.829 4.470 0.001 0.000 0.225 351 S C 0.731 175.449 174.600 0.197 0.000 0.977 351 S CA 0.191 58.480 58.200 0.149 0.000 0.926 351 S CB 0.080 63.345 63.200 0.108 0.000 0.769 351 S HN 0.511 nan 8.310 nan 0.000 0.533 352 A N 0.688 123.669 122.820 0.268 0.000 2.457 352 A HA 0.816 5.137 4.320 0.001 0.000 0.283 352 A C -0.266 177.563 177.584 0.410 0.000 1.166 352 A CA -0.242 51.960 52.037 0.276 0.000 0.740 352 A CB 1.018 20.128 19.000 0.184 0.000 1.181 352 A HN 0.772 nan 8.150 nan 0.000 0.446 353 A N 4.296 127.323 122.820 0.346 0.000 3.422 353 A HA 0.651 4.972 4.320 0.001 0.000 0.271 353 A C -2.872 174.917 177.584 0.342 0.000 1.104 353 A CA -1.078 51.164 52.037 0.342 0.000 0.899 353 A CB 0.191 19.365 19.000 0.290 0.000 1.309 353 A HN 0.525 nan 8.150 nan 0.000 0.580 354 P HA 0.249 nan 4.420 nan 0.000 0.266 354 P C -0.697 176.696 177.300 0.155 0.000 1.186 354 P CA 0.831 63.941 63.100 0.016 0.000 0.767 354 P CB -0.002 31.667 31.700 -0.053 0.000 0.820 355 F N -1.288 118.650 119.950 -0.020 0.000 2.608 355 F HA 0.643 5.170 4.527 0.001 0.000 0.309 355 F C -0.847 174.924 175.800 -0.049 0.000 1.103 355 F CA -1.193 56.813 58.000 0.009 0.000 0.954 355 F CB 1.439 40.348 39.000 -0.152 0.000 1.267 355 F HN 0.349 nan 8.300 nan 0.000 0.444 356 S N 1.120 116.972 115.700 0.252 0.000 2.538 356 S HA 0.922 5.393 4.470 0.001 0.000 0.288 356 S C -0.606 174.022 174.600 0.047 0.000 1.108 356 S CA 0.036 58.304 58.200 0.113 0.000 0.971 356 S CB 1.581 64.885 63.200 0.174 0.000 1.041 356 S HN 1.416 nan 8.310 nan 0.000 0.483 357 G N 1.416 110.178 108.800 -0.063 0.000 3.267 357 G HA2 0.706 4.666 3.960 0.001 0.000 0.200 357 G HA3 0.706 4.666 3.960 0.001 0.000 0.200 357 G C -0.956 174.031 174.900 0.146 0.000 1.603 357 G CA -0.359 44.706 45.100 -0.057 0.000 0.753 357 G HN 1.039 nan 8.290 nan 0.000 0.755 358 W N -1.649 119.660 121.300 0.015 0.000 3.029 358 W HA 0.797 5.458 4.660 0.001 0.000 0.339 358 W C -1.841 174.678 176.519 0.001 0.000 1.198 358 W CA -2.103 55.255 57.345 0.022 0.000 1.148 358 W CB 0.593 30.110 29.460 0.095 0.000 1.451 358 W HN 0.317 nan 8.180 nan 0.000 0.564 359 Y N 2.904 123.381 120.300 0.294 0.000 2.346 359 Y HA 0.295 4.846 4.550 0.001 0.000 0.330 359 Y C 0.782 176.743 175.900 0.101 0.000 1.178 359 Y CA -0.889 57.267 58.100 0.094 0.000 1.331 359 Y CB 1.268 39.696 38.460 -0.054 0.000 1.253 359 Y HN 0.413 nan 8.280 nan 0.000 0.529 360 M N 2.938 122.692 119.600 0.257 0.000 2.157 360 M HA 0.176 4.657 4.480 0.001 0.000 0.354 360 M C 1.030 177.347 176.300 0.029 0.000 1.170 360 M CA -0.260 55.124 55.300 0.140 0.000 1.060 360 M CB 1.108 33.778 32.600 0.116 0.000 1.615 360 M HN 0.871 nan 8.290 nan 0.000 0.460 361 S N 1.609 117.269 115.700 -0.066 0.000 2.387 361 S HA -0.182 4.289 4.470 0.001 0.000 0.230 361 S C 1.478 175.973 174.600 -0.176 0.000 1.035 361 S CA 2.149 60.230 58.200 -0.199 0.000 1.014 361 S CB -1.336 61.758 63.200 -0.176 0.000 0.836 361 S HN 0.910 nan 8.310 nan 0.000 0.466 362 T N -0.264 114.246 114.554 -0.073 0.000 2.996 362 T HA -0.021 4.329 4.350 0.001 0.000 0.271 362 T C 1.490 176.101 174.700 -0.149 0.000 1.126 362 T CA 1.281 63.312 62.100 -0.114 0.000 1.103 362 T CB -0.494 68.291 68.868 -0.138 0.000 0.870 362 T HN 0.588 nan 8.240 nan 0.000 0.528 363 E N 0.475 120.594 120.200 -0.135 0.000 2.072 363 E HA 0.049 4.400 4.350 0.001 0.000 0.190 363 E C 2.037 178.447 176.600 -0.316 0.000 0.982 363 E CA 0.775 57.101 56.400 -0.122 0.000 0.803 363 E CB -0.118 29.616 29.700 0.057 0.000 0.755 363 E HN 0.552 nan 8.360 nan 0.000 0.453 364 I N 0.367 120.614 120.570 -0.539 0.000 2.130 364 I HA -0.155 4.016 4.170 0.001 0.000 0.234 364 I C 2.565 178.368 176.117 -0.524 0.000 1.067 364 I CA 1.268 62.083 61.300 -0.808 0.000 1.339 364 I CB -0.726 36.719 38.000 -0.925 0.000 1.073 364 I HN 0.165 nan 8.210 nan 0.000 0.405 365 G N 0.050 108.647 108.800 -0.338 0.000 2.433 365 G HA2 -0.206 3.754 3.960 0.001 0.000 0.216 365 G HA3 -0.206 3.754 3.960 0.001 0.000 0.216 365 G C 1.657 176.465 174.900 -0.152 0.000 1.186 365 G CA 1.473 46.456 45.100 -0.195 0.000 0.779 365 G HN 0.299 nan 8.290 nan 0.000 0.543 366 T N 0.359 114.819 114.554 -0.157 0.000 2.894 366 T HA 0.035 4.385 4.350 0.001 0.000 0.258 366 T C 2.587 177.220 174.700 -0.112 0.000 1.043 366 T CA 0.751 62.775 62.100 -0.127 0.000 1.141 366 T CB 0.044 68.824 68.868 -0.145 0.000 0.873 366 T HN 0.065 nan 8.240 nan 0.000 0.449 367 R N 1.879 122.305 120.500 -0.124 0.000 2.046 367 R HA 0.195 4.535 4.340 0.001 0.000 0.223 367 R C 2.249 178.513 176.300 -0.060 0.000 1.179 367 R CA 0.925 56.979 56.100 -0.077 0.000 0.952 367 R CB -1.360 28.913 30.300 -0.045 0.000 0.843 367 R HN 0.329 nan 8.270 nan 0.000 0.439 368 N N 1.335 119.952 118.700 -0.138 0.000 2.043 368 N HA -0.115 4.626 4.740 0.001 0.000 0.193 368 N C 2.035 177.525 175.510 -0.033 0.000 1.037 368 N CA 1.280 54.256 53.050 -0.124 0.000 0.851 368 N CB -0.502 37.627 38.487 -0.597 0.000 1.027 368 N HN 0.147 nan 8.380 nan 0.000 0.422 369 L N -0.361 120.775 121.223 -0.146 0.000 2.240 369 L HA 0.015 4.355 4.340 0.001 0.000 0.211 369 L C 1.472 178.381 176.870 0.065 0.000 1.106 369 L CA 0.574 55.402 54.840 -0.020 0.000 0.793 369 L CB 0.018 42.034 42.059 -0.071 0.000 0.927 369 L HN 0.219 nan 8.230 nan 0.000 0.446 370 C N -2.500 116.814 119.300 0.023 0.000 3.188 370 C HA 0.197 4.658 4.460 0.001 0.000 0.315 370 C C 0.783 175.793 174.990 0.034 0.000 1.285 370 C CA -1.037 58.004 59.018 0.039 0.000 1.729 370 C CB -0.191 27.555 27.740 0.009 0.000 2.257 370 C HN 0.268 nan 8.230 nan 0.000 0.645 371 D N 3.087 123.502 120.400 0.026 0.000 2.525 371 D HA 0.034 4.674 4.640 0.001 0.000 0.235 371 D C -1.100 175.226 176.300 0.043 0.000 1.137 371 D CA -0.923 53.089 54.000 0.020 0.000 0.868 371 D CB 0.971 41.784 40.800 0.021 0.000 1.180 371 D HN 0.192 nan 8.370 nan 0.000 0.465 372 P HA -0.146 nan 4.420 nan 0.000 0.216 372 P C 0.878 178.202 177.300 0.040 0.000 1.153 372 P CA 1.139 64.262 63.100 0.039 0.000 0.848 372 P CB 0.021 31.736 31.700 0.025 0.000 0.787 373 S N -1.504 114.216 115.700 0.033 0.000 2.881 373 S HA 0.072 4.543 4.470 0.001 0.000 0.228 373 S C 0.978 175.601 174.600 0.038 0.000 0.965 373 S CA -0.151 58.068 58.200 0.031 0.000 0.998 373 S CB -0.535 62.681 63.200 0.028 0.000 0.795 373 S HN -0.037 nan 8.310 nan 0.000 0.518 374 R N -0.893 119.638 120.500 0.052 0.000 3.591 374 R HA 0.281 4.621 4.340 0.001 0.000 0.246 374 R C 0.102 176.448 176.300 0.077 0.000 1.222 374 R CA -0.641 55.502 56.100 0.071 0.000 0.940 374 R CB -0.683 29.704 30.300 0.146 0.000 1.529 374 R HN 0.266 nan 8.270 nan 0.000 0.441 375 Y N 1.858 122.224 120.300 0.110 0.000 2.639 375 Y HA -0.012 4.539 4.550 0.001 0.000 0.297 375 Y C 0.644 176.598 175.900 0.090 0.000 1.151 375 Y CA 0.951 59.118 58.100 0.112 0.000 1.335 375 Y CB -0.239 38.332 38.460 0.185 0.000 0.994 375 Y HN 0.499 nan 8.280 nan 0.000 0.548 376 N N 1.214 120.041 118.700 0.211 0.000 2.759 376 N HA -0.229 4.512 4.740 0.001 0.000 0.277 376 N C 0.066 175.666 175.510 0.151 0.000 0.982 376 N CA 0.188 53.326 53.050 0.147 0.000 0.833 376 N CB -0.684 37.866 38.487 0.105 0.000 0.927 376 N HN 0.422 nan 8.380 nan 0.000 0.573 377 I N -2.086 118.579 120.570 0.159 0.000 3.861 377 I HA 0.078 4.249 4.170 0.001 0.000 0.329 377 I C 1.522 177.720 176.117 0.135 0.000 1.321 377 I CA -0.229 61.153 61.300 0.138 0.000 1.126 377 I CB 0.068 38.148 38.000 0.133 0.000 1.018 377 I HN 0.207 nan 8.210 nan 0.000 0.407 378 L N 1.466 122.784 121.223 0.159 0.000 1.956 378 L HA -0.225 4.116 4.340 0.001 0.000 0.216 378 L C 2.632 179.694 176.870 0.320 0.000 1.073 378 L CA 2.303 57.272 54.840 0.215 0.000 0.762 378 L CB -0.983 41.191 42.059 0.192 0.000 0.889 378 L HN 0.612 nan 8.230 nan 0.000 0.433 379 E N -0.664 119.741 120.200 0.340 0.000 2.035 379 E HA -0.282 4.069 4.350 0.001 0.000 0.204 379 E C 1.878 178.498 176.600 0.032 0.000 1.025 379 E CA 2.016 58.510 56.400 0.157 0.000 0.835 379 E CB -0.224 29.513 29.700 0.062 0.000 0.764 379 E HN 0.497 nan 8.360 nan 0.000 0.457 380 D N -0.056 120.366 120.400 0.038 0.000 2.230 380 D HA -0.227 4.414 4.640 0.001 0.000 0.189 380 D C 2.121 178.419 176.300 -0.004 0.000 1.006 380 D CA 2.031 56.032 54.000 0.002 0.000 0.853 380 D CB -0.649 40.166 40.800 0.025 0.000 0.959 380 D HN 0.175 nan 8.370 nan 0.000 0.449 381 V N 1.637 121.579 119.914 0.047 0.000 2.252 381 V HA -0.307 3.813 4.120 0.001 0.000 0.249 381 V C 2.617 178.781 176.094 0.116 0.000 1.056 381 V CA 2.129 64.476 62.300 0.079 0.000 1.022 381 V CB -0.930 30.956 31.823 0.104 0.000 0.641 381 V HN 0.257 nan 8.190 nan 0.000 0.445 382 A N -0.157 122.745 122.820 0.137 0.000 1.903 382 A HA -0.223 4.097 4.320 0.001 0.000 0.219 382 A C 2.320 179.889 177.584 -0.026 0.000 1.191 382 A CA 2.529 54.639 52.037 0.122 0.000 0.638 382 A CB -0.819 18.310 19.000 0.214 0.000 0.823 382 A HN 0.416 nan 8.150 nan 0.000 0.451 383 V N -0.833 119.016 119.914 -0.109 0.000 2.626 383 V HA -0.269 3.852 4.120 0.001 0.000 0.252 383 V C 2.458 178.415 176.094 -0.228 0.000 1.067 383 V CA 1.760 63.953 62.300 -0.178 0.000 1.081 383 V CB -1.241 30.470 31.823 -0.186 0.000 0.686 383 V HN 0.746 nan 8.190 nan 0.000 0.468 384 C N -0.766 118.354 119.300 -0.300 0.000 2.492 384 C HA 0.044 4.504 4.460 0.001 0.000 0.279 384 C C 2.714 177.339 174.990 -0.608 0.000 1.335 384 C CA 0.111 58.743 59.018 -0.643 0.000 1.734 384 C CB -0.872 26.258 27.740 -1.016 0.000 2.027 384 C HN 0.457 nan 8.230 nan 0.000 0.496 385 M N 0.740 120.243 119.600 -0.161 0.000 2.435 385 M HA -0.092 4.389 4.480 0.001 0.000 0.262 385 M C 0.443 176.751 176.300 0.013 0.000 1.065 385 M CA 1.599 56.973 55.300 0.125 0.000 1.076 385 M CB -0.500 32.230 32.600 0.216 0.000 1.403 385 M HN 0.438 nan 8.290 nan 0.000 0.454 386 D N 0.905 121.253 120.400 -0.087 0.000 2.922 386 D HA -0.134 4.507 4.640 0.001 0.000 0.252 386 D C -1.483 174.791 176.300 -0.044 0.000 1.070 386 D CA 0.392 54.337 54.000 -0.092 0.000 0.813 386 D CB -1.195 39.550 40.800 -0.090 0.000 1.046 386 D HN 0.275 nan 8.370 nan 0.000 0.429 387 L N 1.085 122.276 121.223 -0.054 0.000 2.431 387 L HA 0.357 4.698 4.340 0.001 0.000 0.266 387 L C 0.119 176.934 176.870 -0.092 0.000 0.978 387 L CA -1.121 53.709 54.840 -0.018 0.000 0.822 387 L CB 1.783 43.884 42.059 0.069 0.000 1.310 387 L HN -0.086 nan 8.230 nan 0.000 0.409 388 D N 1.422 121.790 120.400 -0.053 0.000 2.419 388 D HA -0.021 4.620 4.640 0.001 0.000 0.281 388 D C 1.161 177.326 176.300 -0.224 0.000 1.398 388 D CA 0.376 54.322 54.000 -0.091 0.000 1.047 388 D CB 0.824 41.622 40.800 -0.004 0.000 1.115 388 D HN 0.555 nan 8.370 nan 0.000 0.540 389 T N 2.662 116.926 114.554 -0.483 0.000 2.737 389 T HA -0.172 4.179 4.350 0.001 0.000 0.265 389 T C 1.929 176.431 174.700 -0.329 0.000 1.038 389 T CA 0.359 61.894 62.100 -0.941 0.000 1.144 389 T CB -0.020 68.338 68.868 -0.851 0.000 0.866 389 T HN 0.389 nan 8.240 nan 0.000 0.434 390 R N 1.159 121.554 120.500 -0.176 0.000 2.301 390 R HA -0.175 4.165 4.340 0.001 0.000 0.250 390 R C 1.544 177.877 176.300 0.055 0.000 1.102 390 R CA 2.095 58.167 56.100 -0.047 0.000 0.933 390 R CB -1.651 28.627 30.300 -0.036 0.000 0.955 390 R HN 0.527 nan 8.270 nan 0.000 0.439 391 T N -1.057 113.567 114.554 0.116 0.000 2.908 391 T HA 0.234 4.584 4.350 0.001 0.000 0.290 391 T C 1.172 176.045 174.700 0.287 0.000 1.034 391 T CA -0.073 62.127 62.100 0.167 0.000 1.010 391 T CB 2.022 70.950 68.868 0.099 0.000 1.068 391 T HN 0.380 nan 8.240 nan 0.000 0.481 392 T N 0.470 115.139 114.554 0.192 0.000 2.951 392 T HA -0.070 4.281 4.350 0.001 0.000 0.268 392 T C 2.049 176.781 174.700 0.054 0.000 1.073 392 T CA 1.328 63.486 62.100 0.097 0.000 1.134 392 T CB -0.584 68.296 68.868 0.021 0.000 0.884 392 T HN 0.677 nan 8.240 nan 0.000 0.479 393 S N 1.841 117.585 115.700 0.072 0.000 2.603 393 S HA 0.008 4.479 4.470 0.001 0.000 0.229 393 S C 1.964 176.603 174.600 0.064 0.000 0.972 393 S CA 0.577 58.806 58.200 0.049 0.000 0.935 393 S CB -0.684 62.541 63.200 0.041 0.000 0.769 393 S HN 0.680 nan 8.310 nan 0.000 0.536 394 S N 1.019 116.787 115.700 0.115 0.000 2.535 394 S HA 0.296 4.766 4.470 0.001 0.000 0.214 394 S C 0.850 175.525 174.600 0.125 0.000 0.980 394 S CA -0.039 58.239 58.200 0.130 0.000 0.907 394 S CB -0.862 62.446 63.200 0.179 0.000 0.790 394 S HN 0.591 nan 8.310 nan 0.000 0.510 395 L N 1.450 122.715 121.223 0.070 0.000 3.717 395 L HA -0.183 4.157 4.340 0.001 0.000 0.414 395 L C 1.633 178.494 176.870 -0.014 0.000 1.228 395 L CA 0.588 55.410 54.840 -0.030 0.000 0.918 395 L CB -2.236 39.815 42.059 -0.014 0.000 1.865 395 L HN 0.696 nan 8.230 nan 0.000 0.922 396 W N -0.115 121.192 121.300 0.011 0.000 2.354 396 W HA -0.166 4.495 4.660 0.000 0.000 0.315 396 W C 1.776 178.307 176.519 0.019 0.000 1.206 396 W CA 1.492 58.846 57.345 0.016 0.000 1.290 396 W CB -0.947 28.520 29.460 0.011 0.000 1.152 396 W HN 0.228 nan 8.180 nan 0.000 0.489 397 K N 0.974 120.998 120.400 -0.628 0.000 2.144 397 K HA -0.222 4.099 4.320 0.001 0.000 0.209 397 K C 1.423 177.893 176.600 -0.217 0.000 1.047 397 K CA 2.570 58.499 56.287 -0.598 0.000 0.927 397 K CB -0.428 31.495 32.500 -0.962 0.000 0.716 397 K HN 0.279 nan 8.250 nan 0.000 0.454 398 D N 0.405 120.700 120.400 -0.174 0.000 2.146 398 D HA -0.067 4.573 4.640 0.001 0.000 0.209 398 D C 1.712 178.007 176.300 -0.007 0.000 0.973 398 D CA 0.730 54.679 54.000 -0.085 0.000 0.860 398 D CB -0.474 40.276 40.800 -0.084 0.000 1.015 398 D HN 0.080 nan 8.370 nan 0.000 0.465 399 K N 1.114 121.530 120.400 0.026 0.000 2.013 399 K HA -0.263 4.058 4.320 0.001 0.000 0.225 399 K C 2.235 178.898 176.600 0.104 0.000 1.056 399 K CA 1.969 58.301 56.287 0.077 0.000 0.971 399 K CB -0.564 32.000 32.500 0.106 0.000 0.731 399 K HN 0.143 nan 8.250 nan 0.000 0.450 400 A N 1.403 124.307 122.820 0.140 0.000 1.863 400 A HA -0.299 4.021 4.320 0.001 0.000 0.218 400 A C 2.443 180.106 177.584 0.130 0.000 1.233 400 A CA 2.938 55.075 52.037 0.166 0.000 0.655 400 A CB -1.356 17.776 19.000 0.220 0.000 0.839 400 A HN 0.485 nan 8.150 nan 0.000 0.454 401 A N -1.229 121.638 122.820 0.077 0.000 1.929 401 A HA -0.200 4.121 4.320 0.001 0.000 0.221 401 A C 2.296 179.911 177.584 0.052 0.000 1.211 401 A CA 2.483 54.544 52.037 0.040 0.000 0.657 401 A CB -1.313 17.673 19.000 -0.024 0.000 0.827 401 A HN 0.692 nan 8.150 nan 0.000 0.462 402 V N 0.123 120.072 119.914 0.058 0.000 2.407 402 V HA -0.211 3.910 4.120 0.001 0.000 0.248 402 V C 2.553 178.717 176.094 0.117 0.000 1.055 402 V CA 2.256 64.600 62.300 0.075 0.000 1.049 402 V CB -0.596 31.271 31.823 0.074 0.000 0.662 402 V HN 0.618 nan 8.190 nan 0.000 0.455 403 E N -0.393 119.905 120.200 0.164 0.000 2.076 403 E HA -0.111 4.239 4.350 0.001 0.000 0.190 403 E C 2.117 178.892 176.600 0.292 0.000 0.979 403 E CA 0.899 57.457 56.400 0.264 0.000 0.807 403 E CB -0.269 29.575 29.700 0.240 0.000 0.761 403 E HN 0.514 nan 8.360 nan 0.000 0.454 404 I N 2.318 123.044 120.570 0.259 0.000 2.044 404 I HA -0.365 3.806 4.170 0.001 0.000 0.234 404 I C 2.128 178.306 176.117 0.102 0.000 1.031 404 I CA 1.692 63.143 61.300 0.252 0.000 1.305 404 I CB -0.763 37.338 38.000 0.168 0.000 1.026 404 I HN 0.049 nan 8.210 nan 0.000 0.392 405 N N -0.138 118.590 118.700 0.047 0.000 2.096 405 N HA -0.253 4.487 4.740 0.001 0.000 0.195 405 N C 1.690 177.186 175.510 -0.022 0.000 1.017 405 N CA 1.309 54.358 53.050 -0.002 0.000 0.870 405 N CB -0.249 38.250 38.487 0.020 0.000 1.024 405 N HN 0.182 nan 8.380 nan 0.000 0.434 406 L N 0.415 121.631 121.223 -0.012 0.000 2.056 406 L HA 0.026 4.366 4.340 0.001 0.000 0.207 406 L C 2.069 178.802 176.870 -0.229 0.000 1.078 406 L CA 1.456 56.229 54.840 -0.112 0.000 0.749 406 L CB -0.949 41.026 42.059 -0.139 0.000 0.901 406 L HN 0.170 nan 8.230 nan 0.000 0.433 407 A N -1.205 121.467 122.820 -0.247 0.000 1.908 407 A HA -0.168 4.153 4.320 0.001 0.000 0.218 407 A C 2.241 179.713 177.584 -0.187 0.000 1.181 407 A CA 1.992 53.803 52.037 -0.378 0.000 0.627 407 A CB -1.037 17.513 19.000 -0.750 0.000 0.818 407 A HN 0.289 nan 8.150 nan 0.000 0.445 408 V N -0.419 119.428 119.914 -0.112 0.000 2.407 408 V HA -0.251 3.869 4.120 0.001 0.000 0.248 408 V C 2.488 178.568 176.094 -0.024 0.000 1.055 408 V CA 1.934 64.200 62.300 -0.056 0.000 1.049 408 V CB -0.776 30.951 31.823 -0.159 0.000 0.662 408 V HN 0.544 nan 8.190 nan 0.000 0.455 409 L N -1.097 120.093 121.223 -0.055 0.000 2.023 409 L HA -0.125 4.216 4.340 0.001 0.000 0.205 409 L C 2.587 179.478 176.870 0.035 0.000 1.073 409 L CA 1.771 56.593 54.840 -0.031 0.000 0.745 409 L CB -0.578 41.454 42.059 -0.044 0.000 0.900 409 L HN 0.370 nan 8.230 nan 0.000 0.435 410 H N -0.394 118.614 119.070 -0.103 0.000 2.261 410 H HA -0.240 4.316 4.556 0.001 0.000 0.290 410 H C 2.403 177.707 175.328 -0.041 0.000 1.081 410 H CA 2.334 58.318 56.048 -0.106 0.000 1.196 410 H CB -0.307 29.334 29.762 -0.201 0.000 1.350 410 H HN 0.211 nan 8.280 nan 0.000 0.498 411 S N -0.496 115.230 115.700 0.042 0.000 2.380 411 S HA -0.205 4.266 4.470 0.001 0.000 0.229 411 S C 2.064 176.657 174.600 -0.013 0.000 1.043 411 S CA 1.555 59.749 58.200 -0.010 0.000 1.038 411 S CB -0.550 62.660 63.200 0.017 0.000 0.872 411 S HN 0.333 nan 8.310 nan 0.000 0.456 412 F N 1.552 121.449 119.950 -0.089 0.000 2.206 412 F HA -0.036 4.491 4.527 0.001 0.000 0.298 412 F C 2.625 178.369 175.800 -0.093 0.000 1.090 412 F CA 0.948 58.911 58.000 -0.061 0.000 1.323 412 F CB -0.448 38.536 39.000 -0.027 0.000 1.028 412 F HN 0.207 nan 8.300 nan 0.000 0.492 413 Q N -0.489 119.342 119.800 0.052 0.000 2.230 413 Q HA -0.147 4.194 4.340 0.001 0.000 0.202 413 Q C 2.186 178.107 176.000 -0.131 0.000 0.963 413 Q CA 0.979 56.752 55.803 -0.052 0.000 0.866 413 Q CB -0.212 28.478 28.738 -0.080 0.000 0.931 413 Q HN 0.397 nan 8.270 nan 0.000 0.452 414 L N 0.006 121.103 121.223 -0.209 0.000 2.044 414 L HA -0.025 4.315 4.340 0.001 0.000 0.205 414 L C 1.930 178.714 176.870 -0.144 0.000 1.075 414 L CA 1.338 56.045 54.840 -0.222 0.000 0.747 414 L CB -0.242 41.637 42.059 -0.301 0.000 0.903 414 L HN 0.091 nan 8.230 nan 0.000 0.435 415 A N -1.115 121.619 122.820 -0.143 0.000 2.252 415 A HA -0.027 4.293 4.320 0.001 0.000 0.207 415 A C 0.795 178.309 177.584 -0.117 0.000 1.194 415 A CA 0.085 52.036 52.037 -0.142 0.000 0.809 415 A CB -0.628 18.245 19.000 -0.210 0.000 0.814 415 A HN 0.422 nan 8.150 nan 0.000 0.482 416 K N -1.246 119.100 120.400 -0.091 0.000 4.387 416 K HA -0.108 4.212 4.320 0.001 0.000 0.290 416 K C -1.230 175.340 176.600 -0.050 0.000 0.936 416 K CA 0.765 57.013 56.287 -0.065 0.000 0.890 416 K CB -1.373 31.089 32.500 -0.064 0.000 1.617 416 K HN 0.234 nan 8.250 nan 0.000 0.437 417 V N 1.513 121.422 119.914 -0.007 0.000 2.624 417 V HA 0.138 4.259 4.120 0.001 0.000 0.294 417 V C 0.192 176.400 176.094 0.190 0.000 1.077 417 V CA -0.615 61.721 62.300 0.060 0.000 0.905 417 V CB 1.991 33.781 31.823 -0.055 0.000 1.025 417 V HN 0.523 nan 8.190 nan 0.000 0.440 418 T N 3.240 117.832 114.554 0.063 0.000 2.928 418 T HA 0.604 4.954 4.350 0.001 0.000 0.305 418 T C -0.402 174.326 174.700 0.046 0.000 1.035 418 T CA 0.093 62.140 62.100 -0.089 0.000 1.145 418 T CB 1.241 69.873 68.868 -0.393 0.000 0.963 418 T HN 0.706 nan 8.240 nan 0.000 0.545 419 I N 1.704 122.261 120.570 -0.021 0.000 2.984 419 I HA 0.711 4.881 4.170 0.001 0.000 0.303 419 I C -1.725 174.425 176.117 0.054 0.000 1.381 419 I CA -1.009 60.309 61.300 0.030 0.000 0.988 419 I CB 2.265 40.179 38.000 -0.143 0.000 1.307 419 I HN 0.678 nan 8.210 nan 0.000 0.460 420 V N 5.322 125.313 119.914 0.129 0.000 2.888 420 V HA 0.615 4.736 4.120 0.001 0.000 0.309 420 V C -1.720 174.404 176.094 0.050 0.000 1.114 420 V CA -0.402 61.972 62.300 0.124 0.000 0.940 420 V CB 2.100 34.087 31.823 0.273 0.000 1.021 420 V HN 0.877 nan 8.190 nan 0.000 0.426 421 D N 4.805 125.202 120.400 -0.006 0.000 2.253 421 D HA 0.216 4.857 4.640 0.001 0.000 0.249 421 D C 1.286 177.498 176.300 -0.147 0.000 1.049 421 D CA -0.155 53.779 54.000 -0.109 0.000 0.929 421 D CB 0.769 41.461 40.800 -0.180 0.000 1.176 421 D HN 0.792 nan 8.370 nan 0.000 0.437 422 H N 1.009 120.012 119.070 -0.111 0.000 2.394 422 H HA -0.218 4.339 4.556 0.001 0.000 0.297 422 H C 1.060 176.299 175.328 -0.149 0.000 1.113 422 H CA 1.400 57.345 56.048 -0.172 0.000 1.277 422 H CB -0.633 28.958 29.762 -0.284 0.000 1.370 422 H HN 0.515 nan 8.280 nan 0.000 0.506 423 H N 1.495 120.427 119.070 -0.230 0.000 2.253 423 H HA 0.035 4.592 4.556 0.001 0.000 0.299 423 H C 2.726 178.045 175.328 -0.015 0.000 1.064 423 H CA 1.453 57.449 56.048 -0.086 0.000 1.264 423 H CB -0.728 28.943 29.762 -0.152 0.000 1.371 423 H HN 0.483 nan 8.280 nan 0.000 0.493 424 A N 1.540 124.426 122.820 0.110 0.000 1.903 424 A HA -0.242 4.078 4.320 0.001 0.000 0.219 424 A C 2.728 180.382 177.584 0.117 0.000 1.191 424 A CA 2.631 54.724 52.037 0.094 0.000 0.638 424 A CB -1.106 17.935 19.000 0.068 0.000 0.823 424 A HN 0.503 nan 8.150 nan 0.000 0.451 425 A N -0.506 122.383 122.820 0.115 0.000 1.845 425 A HA -0.122 4.198 4.320 0.001 0.000 0.215 425 A C 2.495 180.183 177.584 0.173 0.000 1.195 425 A CA 2.984 55.110 52.037 0.149 0.000 0.616 425 A CB -1.639 17.440 19.000 0.132 0.000 0.832 425 A HN 0.874 nan 8.150 nan 0.000 0.443 426 T N -1.614 113.022 114.554 0.136 0.000 2.759 426 T HA -0.150 4.200 4.350 0.001 0.000 0.269 426 T C 1.690 176.518 174.700 0.213 0.000 1.042 426 T CA 1.657 63.849 62.100 0.153 0.000 1.140 426 T CB -1.104 67.812 68.868 0.080 0.000 0.864 426 T HN 0.127 nan 8.240 nan 0.000 0.455 427 V N 2.679 122.699 119.914 0.177 0.000 2.324 427 V HA -0.197 3.923 4.120 0.001 0.000 0.250 427 V C 3.159 179.351 176.094 0.163 0.000 1.060 427 V CA 2.167 64.563 62.300 0.161 0.000 1.042 427 V CB -1.241 30.657 31.823 0.125 0.000 0.650 427 V HN 0.803 nan 8.190 nan 0.000 0.450 428 S N -0.622 115.180 115.700 0.170 0.000 2.425 428 S HA -0.100 4.371 4.470 0.001 0.000 0.225 428 S C 1.926 176.622 174.600 0.161 0.000 1.024 428 S CA 0.871 59.157 58.200 0.143 0.000 0.951 428 S CB -0.595 62.684 63.200 0.132 0.000 0.796 428 S HN 0.506 nan 8.310 nan 0.000 0.498 429 F N 2.454 122.463 119.950 0.098 0.000 2.069 429 F HA -0.088 4.440 4.527 0.001 0.000 0.298 429 F C 2.382 178.266 175.800 0.141 0.000 1.113 429 F CA 1.876 59.949 58.000 0.123 0.000 1.214 429 F CB -0.325 38.727 39.000 0.088 0.000 0.978 429 F HN 0.094 nan 8.300 nan 0.000 0.474 430 M N 0.631 120.443 119.600 0.352 0.000 2.147 430 M HA -0.314 4.166 4.480 0.001 0.000 0.253 430 M C 2.198 178.529 176.300 0.051 0.000 1.075 430 M CA 2.228 57.656 55.300 0.213 0.000 1.085 430 M CB -1.456 31.259 32.600 0.192 0.000 1.305 430 M HN 0.184 nan 8.290 nan 0.000 0.409 431 K N -0.675 119.755 120.400 0.050 0.000 2.097 431 K HA -0.201 4.120 4.320 0.001 0.000 0.205 431 K C 1.944 178.521 176.600 -0.039 0.000 1.050 431 K CA 1.890 58.185 56.287 0.014 0.000 0.938 431 K CB -0.678 31.844 32.500 0.037 0.000 0.718 431 K HN 0.485 nan 8.250 nan 0.000 0.442 432 H N -0.127 118.835 119.070 -0.180 0.000 2.489 432 H HA 0.021 4.578 4.556 0.001 0.000 0.293 432 H C 1.564 176.712 175.328 -0.300 0.000 1.066 432 H CA 1.573 57.469 56.048 -0.253 0.000 1.305 432 H CB 0.015 29.550 29.762 -0.379 0.000 1.386 432 H HN 0.202 nan 8.280 nan 0.000 0.551 433 L N -0.344 120.624 121.223 -0.425 0.000 2.072 433 L HA -0.090 4.251 4.340 0.001 0.000 0.205 433 L C 1.942 178.682 176.870 -0.218 0.000 1.079 433 L CA 1.825 56.454 54.840 -0.351 0.000 0.752 433 L CB -0.357 41.634 42.059 -0.113 0.000 0.906 433 L HN 0.383 nan 8.230 nan 0.000 0.436 434 D N -0.432 119.886 120.400 -0.136 0.000 2.269 434 D HA -0.154 4.487 4.640 0.001 0.000 0.208 434 D C 1.806 178.050 176.300 -0.094 0.000 0.963 434 D CA 0.692 54.643 54.000 -0.081 0.000 0.864 434 D CB 0.238 41.015 40.800 -0.039 0.000 0.936 434 D HN 0.131 nan 8.370 nan 0.000 0.505 435 N N 0.341 118.960 118.700 -0.134 0.000 2.135 435 N HA -0.098 4.642 4.740 0.001 0.000 0.186 435 N C 1.577 177.020 175.510 -0.112 0.000 1.027 435 N CA 0.760 53.752 53.050 -0.098 0.000 0.849 435 N CB -0.166 38.287 38.487 -0.057 0.000 1.002 435 N HN 0.240 nan 8.380 nan 0.000 0.425 436 E N 0.847 120.912 120.200 -0.225 0.000 2.072 436 E HA -0.151 4.199 4.350 0.001 0.000 0.191 436 E C 1.850 178.384 176.600 -0.109 0.000 0.985 436 E CA 0.637 56.923 56.400 -0.191 0.000 0.801 436 E CB -0.285 29.226 29.700 -0.316 0.000 0.750 436 E HN 0.231 nan 8.360 nan 0.000 0.452 437 Q N 1.235 120.971 119.800 -0.106 0.000 2.173 437 Q HA -0.157 4.183 4.340 0.001 0.000 0.208 437 Q C 1.350 177.325 176.000 -0.041 0.000 0.989 437 Q CA 1.740 57.509 55.803 -0.057 0.000 0.872 437 Q CB -0.091 28.617 28.738 -0.050 0.000 0.909 437 Q HN 0.078 nan 8.270 nan 0.000 0.420 438 K N -1.755 118.620 120.400 -0.042 0.000 2.374 438 K HA 0.302 4.622 4.320 0.001 0.000 0.196 438 K C 0.772 177.358 176.600 -0.024 0.000 1.023 438 K CA 0.344 56.614 56.287 -0.028 0.000 1.103 438 K CB 0.595 33.081 32.500 -0.024 0.000 0.848 438 K HN 0.197 nan 8.250 nan 0.000 0.528 439 A N 0.845 123.649 122.820 -0.027 0.000 2.579 439 A HA 0.155 4.475 4.320 0.001 0.000 0.220 439 A C 1.442 179.016 177.584 -0.017 0.000 2.352 439 A CA -0.094 51.937 52.037 -0.010 0.000 1.183 439 A CB -0.111 18.896 19.000 0.012 0.000 1.311 439 A HN 0.009 nan 8.150 nan 0.000 0.534 440 R N -0.191 120.293 120.500 -0.026 0.000 2.293 440 R HA 0.030 4.371 4.340 0.001 0.000 0.219 440 R C 1.048 177.331 176.300 -0.030 0.000 1.091 440 R CA 0.831 56.915 56.100 -0.027 0.000 1.004 440 R CB -0.299 29.979 30.300 -0.037 0.000 0.865 440 R HN 1.099 nan 8.270 nan 0.000 0.469 441 G N 0.022 108.801 108.800 -0.035 0.000 2.137 441 G HA2 -0.195 3.765 3.960 0.001 0.000 0.237 441 G HA3 -0.195 3.765 3.960 0.001 0.000 0.237 441 G C 0.235 175.121 174.900 -0.023 0.000 1.002 441 G CA 0.082 45.158 45.100 -0.040 0.000 0.702 441 G HN 0.780 nan 8.290 nan 0.000 0.515 442 G N -2.305 106.492 108.800 -0.005 0.000 2.333 442 G HA2 0.644 4.605 3.960 0.001 0.000 0.288 442 G HA3 0.644 4.605 3.960 0.001 0.000 0.288 442 G C -0.552 174.380 174.900 0.054 0.000 1.286 442 G CA 0.910 46.040 45.100 0.050 0.000 0.865 442 G HN 2.342 nan 8.290 nan 0.000 0.506 443 C N 0.597 119.994 119.300 0.162 0.000 3.046 443 C HA 0.616 5.076 4.460 0.001 0.000 0.418 443 C C -3.032 171.978 174.990 0.033 0.000 1.005 443 C CA -0.401 58.653 59.018 0.059 0.000 1.060 443 C CB 1.249 28.940 27.740 -0.082 0.000 1.496 443 C HN 0.848 nan 8.230 nan 0.000 0.614 444 P HA 0.637 nan 4.420 nan 0.000 0.303 444 P C -0.992 176.227 177.300 -0.135 0.000 1.350 444 P CA 0.027 62.831 63.100 -0.493 0.000 0.880 444 P CB 1.904 32.893 31.700 -1.185 0.000 1.018 445 A N 2.066 124.877 122.820 -0.015 0.000 2.469 445 A HA 0.544 4.864 4.320 0.001 0.000 0.299 445 A C -1.061 176.564 177.584 0.068 0.000 1.098 445 A CA -0.514 51.572 52.037 0.083 0.000 0.737 445 A CB 1.280 20.402 19.000 0.202 0.000 1.312 445 A HN 0.490 nan 8.150 nan 0.000 0.414 446 D N 1.120 121.563 120.400 0.071 0.000 2.473 446 D HA 0.111 4.751 4.640 0.001 0.000 0.226 446 D C 0.675 177.113 176.300 0.229 0.000 1.089 446 D CA -0.494 53.594 54.000 0.145 0.000 0.883 446 D CB 0.442 41.288 40.800 0.077 0.000 1.029 446 D HN 0.618 nan 8.370 nan 0.000 0.517 447 W N 4.362 125.702 121.300 0.068 0.000 2.304 447 W HA -0.329 4.332 4.660 0.001 0.000 0.315 447 W C 1.876 178.419 176.519 0.039 0.000 1.233 447 W CA 2.478 59.839 57.345 0.027 0.000 1.261 447 W CB 0.050 29.509 29.460 -0.001 0.000 1.150 447 W HN 0.535 nan 8.180 nan 0.000 0.494 448 A N -1.410 121.698 122.820 0.479 0.000 2.015 448 A HA -0.164 4.157 4.320 0.001 0.000 0.219 448 A C 1.500 179.092 177.584 0.012 0.000 1.163 448 A CA 1.510 53.738 52.037 0.319 0.000 0.646 448 A CB -1.271 17.930 19.000 0.335 0.000 0.806 448 A HN 0.545 nan 8.150 nan 0.000 0.448 449 W N -0.948 120.320 121.300 -0.052 0.000 2.704 449 W HA 0.217 4.877 4.660 0.001 0.000 0.266 449 W C 1.729 178.139 176.519 -0.182 0.000 1.266 449 W CA -0.045 57.251 57.345 -0.082 0.000 1.377 449 W CB 0.092 29.538 29.460 -0.023 0.000 1.082 449 W HN 0.131 nan 8.180 nan 0.000 0.608 450 I N -0.162 120.368 120.570 -0.067 0.000 2.876 450 I HA -0.020 4.150 4.170 0.001 0.000 0.264 450 I C 0.431 176.305 176.117 -0.405 0.000 1.204 450 I CA 0.744 61.860 61.300 -0.307 0.000 1.485 450 I CB -1.103 36.619 38.000 -0.463 0.000 1.103 450 I HN -0.395 nan 8.210 nan 0.000 0.446 451 V N 5.043 124.655 119.914 -0.504 0.000 2.427 451 V HA 0.151 4.271 4.120 0.001 0.000 0.268 451 V C -1.739 174.160 176.094 -0.326 0.000 1.046 451 V CA -1.304 60.682 62.300 -0.523 0.000 0.970 451 V CB 0.531 31.802 31.823 -0.920 0.000 1.001 451 V HN 0.118 nan 8.190 nan 0.000 0.476 452 P HA 0.094 nan 4.420 nan 0.000 0.267 452 P C -2.278 174.875 177.300 -0.246 0.000 1.201 452 P CA -1.038 61.924 63.100 -0.231 0.000 0.775 452 P CB 0.191 31.743 31.700 -0.246 0.000 0.854 453 P HA 0.023 nan 4.420 nan 0.000 0.218 453 P C 0.544 177.718 177.300 -0.210 0.000 1.152 453 P CA 1.072 64.047 63.100 -0.208 0.000 0.826 453 P CB -0.069 31.516 31.700 -0.193 0.000 0.790 454 I N -5.705 114.695 120.570 -0.283 0.000 2.607 454 I HA 0.554 4.725 4.170 0.001 0.000 0.305 454 I C 0.412 176.339 176.117 -0.318 0.000 0.995 454 I CA -1.078 60.059 61.300 -0.271 0.000 1.148 454 I CB 1.632 39.478 38.000 -0.257 0.000 1.323 454 I HN -0.274 nan 8.210 nan 0.000 0.461 455 S N 3.000 118.576 115.700 -0.208 0.000 3.524 455 S HA -0.153 4.317 4.470 0.001 0.000 0.377 455 S C 1.234 175.719 174.600 -0.192 0.000 0.949 455 S CA 0.719 58.821 58.200 -0.163 0.000 1.264 455 S CB -1.402 61.742 63.200 -0.093 0.000 0.918 455 S HN 1.350 nan 8.310 nan 0.000 0.517 456 G N 1.531 110.206 108.800 -0.208 0.000 2.404 456 G HA2 -0.109 3.852 3.960 0.001 0.000 0.215 456 G HA3 -0.109 3.852 3.960 0.001 0.000 0.215 456 G C 1.504 176.196 174.900 -0.348 0.000 1.174 456 G CA 1.050 46.034 45.100 -0.194 0.000 0.780 456 G HN 1.460 nan 8.290 nan 0.000 0.537 457 S N 0.004 115.240 115.700 -0.774 0.000 2.555 457 S HA 0.135 4.606 4.470 0.001 0.000 0.230 457 S C 1.450 175.806 174.600 -0.407 0.000 0.978 457 S CA 0.212 57.659 58.200 -1.255 0.000 0.934 457 S CB -0.024 62.340 63.200 -1.394 0.000 0.766 457 S HN 0.007 nan 8.310 nan 0.000 0.533 458 L N 3.088 124.209 121.223 -0.169 0.000 2.715 458 L HA 0.371 4.712 4.340 0.001 0.000 0.238 458 L C 0.805 177.778 176.870 0.171 0.000 1.212 458 L CA 0.231 55.105 54.840 0.056 0.000 1.017 458 L CB -1.096 41.042 42.059 0.132 0.000 1.269 458 L HN 0.599 nan 8.230 nan 0.000 0.452 459 T N -5.218 109.388 114.554 0.086 0.000 2.912 459 T HA 0.457 4.808 4.350 0.001 0.000 0.299 459 T C -2.151 172.652 174.700 0.171 0.000 1.052 459 T CA -1.617 60.575 62.100 0.153 0.000 0.996 459 T CB 2.621 71.545 68.868 0.095 0.000 1.070 459 T HN -0.204 nan 8.240 nan 0.000 0.465 460 P HA -0.084 nan 4.420 nan 0.000 0.220 460 P C 1.928 179.381 177.300 0.255 0.000 1.148 460 P CA 1.118 64.397 63.100 0.298 0.000 0.803 460 P CB -0.416 31.430 31.700 0.244 0.000 0.782 461 V N -3.086 116.921 119.914 0.155 0.000 2.380 461 V HA -0.270 3.851 4.120 0.001 0.000 0.251 461 V C 2.320 178.452 176.094 0.065 0.000 1.063 461 V CA 1.605 63.947 62.300 0.069 0.000 1.055 461 V CB -2.297 29.451 31.823 -0.126 0.000 0.657 461 V HN -0.083 nan 8.190 nan 0.000 0.455 462 F N 1.832 121.710 119.950 -0.119 0.000 2.091 462 F HA -0.216 4.312 4.527 0.001 0.000 0.299 462 F C 2.559 178.517 175.800 0.264 0.000 1.103 462 F CA 2.489 60.470 58.000 -0.031 0.000 1.228 462 F CB -0.357 38.493 39.000 -0.250 0.000 0.984 462 F HN 0.266 nan 8.300 nan 0.000 0.477 463 H N -0.981 118.409 119.070 0.533 0.000 2.547 463 H HA 0.063 4.619 4.556 0.001 0.000 0.266 463 H C 0.485 176.056 175.328 0.404 0.000 0.988 463 H CA 0.502 56.822 56.048 0.453 0.000 1.147 463 H CB -0.250 29.768 29.762 0.427 0.000 1.365 463 H HN 0.294 nan 8.280 nan 0.000 0.589 464 Q N 1.783 121.855 119.800 0.453 0.000 2.834 464 Q HA 0.125 4.466 4.340 0.001 0.000 0.271 464 Q C -0.706 175.504 176.000 0.349 0.000 1.196 464 Q CA -0.377 55.634 55.803 0.347 0.000 1.063 464 Q CB -0.267 28.641 28.738 0.283 0.000 1.265 464 Q HN 0.182 nan 8.270 nan 0.000 0.526 465 E N 1.935 122.325 120.200 0.316 0.000 3.713 465 E HA -0.191 4.159 4.350 0.001 0.000 0.301 465 E C -0.606 176.134 176.600 0.233 0.000 0.787 465 E CA 1.080 57.615 56.400 0.225 0.000 1.014 465 E CB 0.286 30.082 29.700 0.161 0.000 0.949 465 E HN 0.576 nan 8.360 nan 0.000 0.546 466 M N 1.775 121.528 119.600 0.256 0.000 2.644 466 M HA 0.426 4.906 4.480 0.001 0.000 0.304 466 M C -0.824 175.590 176.300 0.190 0.000 1.215 466 M CA -1.053 54.386 55.300 0.232 0.000 0.871 466 M CB 2.040 34.803 32.600 0.272 0.000 1.740 466 M HN 0.119 nan 8.290 nan 0.000 0.464 467 V N 0.536 120.570 119.914 0.200 0.000 2.547 467 V HA 0.591 4.712 4.120 0.001 0.000 0.299 467 V C -0.653 175.530 176.094 0.148 0.000 1.040 467 V CA -0.760 61.683 62.300 0.239 0.000 0.913 467 V CB 1.410 33.468 31.823 0.392 0.000 0.992 467 V HN 0.822 nan 8.190 nan 0.000 0.449 468 N N 2.501 121.286 118.700 0.140 0.000 2.372 468 N HA 0.642 5.383 4.740 0.001 0.000 0.291 468 N C -1.317 174.255 175.510 0.102 0.000 1.024 468 N CA -0.488 52.553 53.050 -0.016 0.000 0.873 468 N CB 1.650 40.157 38.487 0.033 0.000 1.206 468 N HN 0.767 nan 8.380 nan 0.000 0.486 469 Y N 0.161 120.493 120.300 0.053 0.000 2.638 469 Y HA 0.562 5.113 4.550 0.001 0.000 0.335 469 Y C -0.849 175.069 175.900 0.030 0.000 1.155 469 Y CA -1.184 56.941 58.100 0.043 0.000 1.046 469 Y CB 0.801 39.290 38.460 0.047 0.000 1.303 469 Y HN 0.216 nan 8.280 nan 0.000 0.460 470 I N 3.782 124.464 120.570 0.187 0.000 2.287 470 I HA 0.261 4.431 4.170 0.001 0.000 0.290 470 I C -0.333 175.855 176.117 0.118 0.000 1.069 470 I CA -0.079 61.277 61.300 0.094 0.000 1.237 470 I CB 0.240 38.276 38.000 0.060 0.000 1.418 470 I HN 0.437 nan 8.210 nan 0.000 0.481 471 L N 4.066 125.346 121.223 0.095 0.000 2.469 471 L HA 0.485 4.826 4.340 0.001 0.000 0.253 471 L C 0.502 177.389 176.870 0.029 0.000 1.143 471 L CA -0.271 54.623 54.840 0.089 0.000 0.804 471 L CB 1.318 43.430 42.059 0.088 0.000 1.214 471 L HN 0.493 nan 8.230 nan 0.000 0.476 472 S N 0.197 115.917 115.700 0.033 0.000 2.549 472 S HA 0.595 5.066 4.470 0.001 0.000 0.280 472 S C -2.654 171.964 174.600 0.030 0.000 1.109 472 S CA -1.371 56.832 58.200 0.004 0.000 0.905 472 S CB 2.001 65.216 63.200 0.025 0.000 1.081 472 S HN 0.315 nan 8.310 nan 0.000 0.477 473 P HA 0.527 nan 4.420 nan 0.000 0.272 473 P C -0.955 176.207 177.300 -0.231 0.000 1.230 473 P CA -0.200 62.798 63.100 -0.170 0.000 0.788 473 P CB 0.855 32.398 31.700 -0.261 0.000 0.949 474 A N 0.927 123.564 122.820 -0.305 0.000 2.540 474 A HA 0.625 4.945 4.320 0.001 0.000 0.291 474 A C -1.598 175.720 177.584 -0.443 0.000 1.083 474 A CA -0.682 51.134 52.037 -0.368 0.000 0.650 474 A CB 0.362 19.272 19.000 -0.150 0.000 1.292 474 A HN 0.290 nan 8.150 nan 0.000 0.435 475 F N 1.013 120.887 119.950 -0.127 0.000 2.404 475 F HA 0.665 5.192 4.527 0.001 0.000 0.345 475 F C 1.088 176.785 175.800 -0.173 0.000 1.110 475 F CA 0.046 57.965 58.000 -0.135 0.000 1.130 475 F CB 1.387 40.294 39.000 -0.155 0.000 1.129 475 F HN 0.563 nan 8.300 nan 0.000 0.500 476 R N 1.197 121.708 120.500 0.018 0.000 2.705 476 R HA 0.527 4.867 4.340 0.001 0.000 0.246 476 R C -1.063 175.157 176.300 -0.133 0.000 1.142 476 R CA -0.842 55.235 56.100 -0.038 0.000 1.114 476 R CB 0.998 31.312 30.300 0.024 0.000 1.256 476 R HN 0.510 nan 8.270 nan 0.000 0.536 477 Y N 0.064 120.386 120.300 0.036 0.000 2.480 477 Y HA 0.269 4.820 4.550 0.001 0.000 0.323 477 Y C 0.016 175.914 175.900 -0.002 0.000 1.267 477 Y CA -0.273 57.836 58.100 0.016 0.000 1.336 477 Y CB 1.235 39.691 38.460 -0.008 0.000 1.361 477 Y HN 0.384 nan 8.280 nan 0.000 0.518 478 Q N 0.369 120.260 119.800 0.152 0.000 2.340 478 Q HA 0.477 4.817 4.340 0.001 0.000 0.276 478 Q C -3.083 172.887 176.000 -0.051 0.000 1.048 478 Q CA -2.395 53.430 55.803 0.036 0.000 0.832 478 Q CB 1.844 30.591 28.738 0.016 0.000 1.373 478 Q HN 0.306 nan 8.270 nan 0.000 0.409 479 P HA -0.017 nan 4.420 nan 0.000 0.264 479 P C -0.837 176.253 177.300 -0.350 0.000 1.179 479 P CA 0.204 63.180 63.100 -0.207 0.000 0.763 479 P CB 0.390 31.987 31.700 -0.172 0.000 0.806 480 D N 3.712 123.758 120.400 -0.589 0.000 2.389 480 D HA 0.067 4.708 4.640 0.001 0.000 0.247 480 D C -1.338 174.363 176.300 -0.997 0.000 1.128 480 D CA -1.413 51.966 54.000 -1.035 0.000 0.884 480 D CB -0.050 39.605 40.800 -1.907 0.000 1.194 480 D HN 0.280 nan 8.370 nan 0.000 0.441 481 P HA 0.001 nan 4.420 nan 0.000 0.274 481 P C -0.730 176.390 177.300 -0.300 0.000 1.370 481 P CA 0.289 63.100 63.100 -0.481 0.000 0.760 481 P CB -0.631 30.765 31.700 -0.508 0.000 1.308 482 W N 0.000 121.072 121.300 -0.380 0.000 2.388 482 W HA 0.000 4.660 4.660 0.001 0.000 0.303 482 W CA 0.000 57.212 57.345 -0.221 0.000 1.226 482 W CB 0.000 29.303 29.460 -0.261 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535