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 1hzy_1_B DATA FIRST_RESID 35 DATA SEQUENCE DRINTVRGPI TISEAGFTLT HEHICGSSAG FLRAWPEFFG SRKALAEKAV DATA SEQUENCE RGLRRARAAG VRTIVDVSTF DIGRDVSLLA EVSRAADVHI VAATGLWFDP DATA SEQUENCE PLSMRLRSVE ELTQFFLREI QYGIEDTGIR AGIIKVATTG KATPFQELVL DATA SEQUENCE KAAARASLAT GVPVTTHTAA SQRDGEQQAA IFESEGLSPS RVCIGHSDDT DATA SEQUENCE DDLSYLTALA ARGYLIGLDH IPHSAIGLED NASASALLGI RSWQTRALLI DATA SEQUENCE KALIDQGYMK QILVSNDWLF GFSSYVTNIM DVMDRVNPDG MAFIPLRVIP DATA SEQUENCE FLREKGVPQE TLAGITVTNP ARFLSPTLRA S 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 35 D HA 0.000 nan 4.640 nan 0.000 0.175 35 D C 0.000 176.272 176.300 -0.046 0.000 2.045 35 D CA 0.000 53.976 54.000 -0.040 0.000 0.868 35 D CB 0.000 40.781 40.800 -0.031 0.000 0.688 36 R N 0.070 120.537 120.500 -0.055 0.000 2.651 36 R HA 0.721 5.062 4.340 0.001 0.000 0.278 36 R C -1.198 175.057 176.300 -0.075 0.000 1.010 36 R CA -0.553 55.510 56.100 -0.062 0.000 0.896 36 R CB 2.216 32.484 30.300 -0.054 0.000 1.211 36 R HN -0.034 nan 8.270 nan 0.000 0.456 37 I N 1.912 122.430 120.570 -0.087 0.000 2.404 37 I HA 0.292 4.462 4.170 0.001 0.000 0.293 37 I C -0.298 175.765 176.117 -0.090 0.000 0.992 37 I CA -0.598 60.645 61.300 -0.095 0.000 1.149 37 I CB 1.956 39.895 38.000 -0.102 0.000 1.315 37 I HN 0.497 nan 8.210 nan 0.000 0.446 38 N N 3.964 122.614 118.700 -0.083 0.000 2.470 38 N HA 0.290 5.030 4.740 0.001 0.000 0.268 38 N C -0.302 175.174 175.510 -0.056 0.000 1.136 38 N CA -0.120 52.889 53.050 -0.067 0.000 0.961 38 N CB 0.954 39.400 38.487 -0.067 0.000 1.067 38 N HN 0.662 nan 8.380 nan 0.000 0.468 39 T N -2.242 112.290 114.554 -0.037 0.000 2.910 39 T HA 0.234 4.585 4.350 0.001 0.000 0.287 39 T C 1.248 175.953 174.700 0.009 0.000 1.050 39 T CA -0.919 61.176 62.100 -0.008 0.000 1.011 39 T CB 1.034 69.912 68.868 0.016 0.000 1.195 39 T HN 0.165 nan 8.240 nan 0.000 0.540 40 V N -0.831 119.099 119.914 0.026 0.000 3.078 40 V HA 0.192 4.313 4.120 0.001 0.000 0.265 40 V C 1.773 177.886 176.094 0.032 0.000 1.122 40 V CA 0.815 63.130 62.300 0.026 0.000 1.141 40 V CB -1.212 30.627 31.823 0.027 0.000 0.735 40 V HN 0.831 nan 8.190 nan 0.000 0.498 41 R N 0.773 121.300 120.500 0.045 0.000 2.432 41 R HA 0.533 4.874 4.340 0.001 0.000 0.260 41 R C 0.925 177.246 176.300 0.034 0.000 0.935 41 R CA 0.517 56.644 56.100 0.045 0.000 1.080 41 R CB 0.756 31.097 30.300 0.068 0.000 1.155 41 R HN 0.729 nan 8.270 nan 0.000 0.531 42 G N 1.540 110.352 108.800 0.020 0.000 2.422 42 G HA2 -0.150 3.810 3.960 0.001 0.000 0.607 42 G HA3 -0.150 3.810 3.960 0.001 0.000 0.607 42 G C -3.021 171.871 174.900 -0.014 0.000 1.270 42 G CA -1.282 43.820 45.100 0.004 0.000 0.992 42 G HN -0.127 nan 8.290 nan 0.000 0.499 43 P HA 0.564 nan 4.420 nan 0.000 0.275 43 P C -0.001 177.262 177.300 -0.060 0.000 1.227 43 P CA -0.093 62.980 63.100 -0.046 0.000 0.781 43 P CB 0.771 32.448 31.700 -0.039 0.000 0.906 44 I N -1.592 118.918 120.570 -0.101 0.000 2.785 44 I HA 0.638 4.809 4.170 0.001 0.000 0.302 44 I C 0.139 176.190 176.117 -0.109 0.000 1.069 44 I CA -1.050 60.167 61.300 -0.138 0.000 1.045 44 I CB 2.259 40.070 38.000 -0.316 0.000 1.236 44 I HN 0.237 nan 8.210 nan 0.000 0.429 45 T N 1.022 115.525 114.554 -0.086 0.000 2.828 45 T HA 0.319 4.670 4.350 0.001 0.000 0.290 45 T C 1.343 176.001 174.700 -0.069 0.000 1.019 45 T CA -0.698 61.365 62.100 -0.061 0.000 1.031 45 T CB 1.000 69.846 68.868 -0.037 0.000 1.001 45 T HN 0.519 nan 8.240 nan 0.000 0.531 46 I N 1.604 122.144 120.570 -0.051 0.000 2.264 46 I HA -0.181 3.989 4.170 0.001 0.000 0.248 46 I C 2.802 178.901 176.117 -0.030 0.000 1.111 46 I CA 1.772 63.046 61.300 -0.044 0.000 1.382 46 I CB -2.121 35.858 38.000 -0.034 0.000 1.060 46 I HN 0.884 nan 8.210 nan 0.000 0.418 47 S N 0.521 116.209 115.700 -0.019 0.000 2.423 47 S HA -0.137 4.334 4.470 0.001 0.000 0.231 47 S C 1.666 176.272 174.600 0.010 0.000 1.014 47 S CA 0.746 58.946 58.200 -0.001 0.000 0.965 47 S CB -0.526 62.676 63.200 0.004 0.000 0.785 47 S HN 0.540 nan 8.310 nan 0.000 0.495 48 E N 1.525 121.718 120.200 -0.011 0.000 2.347 48 E HA 0.086 4.436 4.350 0.001 0.000 0.196 48 E C 2.247 178.852 176.600 0.009 0.000 1.008 48 E CA 0.581 56.985 56.400 0.007 0.000 0.852 48 E CB -0.308 29.354 29.700 -0.064 0.000 0.783 48 E HN 0.699 nan 8.360 nan 0.000 0.505 49 A N 1.538 124.340 122.820 -0.030 0.000 1.902 49 A HA -0.009 4.312 4.320 0.001 0.000 0.217 49 A C 1.634 179.290 177.584 0.121 0.000 1.181 49 A CA 1.472 53.519 52.037 0.016 0.000 0.623 49 A CB -1.091 17.905 19.000 -0.007 0.000 0.818 49 A HN 0.357 nan 8.150 nan 0.000 0.443 50 G N -1.366 107.493 108.800 0.098 0.000 2.578 50 G HA2 -0.253 3.708 3.960 0.001 0.000 0.275 50 G HA3 -0.253 3.708 3.960 0.001 0.000 0.275 50 G C 0.052 175.051 174.900 0.166 0.000 1.271 50 G CA 0.123 45.302 45.100 0.133 0.000 0.941 50 G HN 1.212 nan 8.290 nan 0.000 0.564 51 F N 2.828 122.805 119.950 0.046 0.000 2.546 51 F HA 0.480 5.007 4.527 0.001 0.000 0.388 51 F C 0.911 176.743 175.800 0.052 0.000 1.051 51 F CA 0.745 58.769 58.000 0.040 0.000 1.130 51 F CB 0.092 39.109 39.000 0.029 0.000 1.044 51 F HN 0.463 nan 8.300 nan 0.000 0.553 52 T N 7.788 122.396 114.554 0.091 0.000 2.841 52 T HA 0.479 4.829 4.350 0.001 0.000 0.283 52 T C -0.356 174.403 174.700 0.099 0.000 1.000 52 T CA -0.647 61.536 62.100 0.137 0.000 0.977 52 T CB 1.249 70.158 68.868 0.068 0.000 0.979 52 T HN 0.381 nan 8.240 nan 0.000 0.446 53 L N 3.441 124.768 121.223 0.173 0.000 2.255 53 L HA 0.303 4.643 4.340 0.001 0.000 0.289 53 L C 1.753 178.687 176.870 0.106 0.000 1.046 53 L CA -0.577 54.354 54.840 0.151 0.000 0.816 53 L CB 0.967 43.139 42.059 0.188 0.000 1.197 53 L HN 0.873 nan 8.230 nan 0.000 0.427 54 T N -1.992 112.613 114.554 0.085 0.000 3.113 54 T HA -0.057 4.293 4.350 0.001 0.000 0.256 54 T C 0.487 175.244 174.700 0.094 0.000 1.131 54 T CA 0.466 62.617 62.100 0.086 0.000 1.074 54 T CB -0.313 68.595 68.868 0.067 0.000 0.944 54 T HN 0.603 nan 8.240 nan 0.000 0.516 55 H N 0.508 119.576 119.070 -0.004 0.000 3.162 55 H HA 0.457 5.014 4.556 0.001 0.000 0.309 55 H C -1.000 174.286 175.328 -0.070 0.000 1.156 55 H CA -0.561 55.455 56.048 -0.053 0.000 1.586 55 H CB 0.604 30.348 29.762 -0.030 0.000 1.740 55 H HN 0.043 nan 8.280 nan 0.000 0.525 56 E N 2.369 122.482 120.200 -0.146 0.000 2.459 56 E HA 0.396 4.747 4.350 0.001 0.000 0.275 56 E C -0.931 175.353 176.600 -0.527 0.000 0.987 56 E CA -0.929 55.404 56.400 -0.113 0.000 0.828 56 E CB 2.180 31.895 29.700 0.025 0.000 1.428 56 E HN 0.585 nan 8.360 nan 0.000 0.457 57 H N 0.212 119.256 119.070 -0.043 0.000 3.038 57 H HA 0.276 4.833 4.556 0.001 0.000 0.362 57 H C 0.780 176.057 175.328 -0.085 0.000 1.167 57 H CA -0.496 55.486 56.048 -0.109 0.000 1.197 57 H CB 1.636 31.271 29.762 -0.212 0.000 1.840 57 H HN 0.265 nan 8.280 nan 0.000 0.540 58 I N 0.403 121.045 120.570 0.120 0.000 2.400 58 I HA -0.052 4.119 4.170 0.001 0.000 0.248 58 I C 1.155 177.348 176.117 0.127 0.000 1.109 58 I CA 1.066 62.502 61.300 0.227 0.000 1.425 58 I CB 0.033 38.138 38.000 0.176 0.000 1.094 58 I HN 0.350 nan 8.210 nan 0.000 0.425 59 C N 0.540 119.842 119.300 0.004 0.000 2.701 59 C HA 0.724 5.184 4.460 0.001 0.000 0.336 59 C C 0.270 175.152 174.990 -0.181 0.000 1.123 59 C CA -0.611 58.348 59.018 -0.098 0.000 1.326 59 C CB 0.670 28.297 27.740 -0.188 0.000 1.833 59 C HN 0.511 nan 8.230 nan 0.000 0.473 60 G N 3.840 112.483 108.800 -0.262 0.000 2.475 60 G HA2 0.540 4.501 3.960 0.001 0.000 0.322 60 G HA3 0.540 4.501 3.960 0.001 0.000 0.322 60 G C -0.097 174.725 174.900 -0.131 0.000 1.044 60 G CA 0.297 45.139 45.100 -0.431 0.000 1.047 60 G HN 0.996 nan 8.290 nan 0.000 0.436 61 S N 1.210 116.804 115.700 -0.177 0.000 3.952 61 S HA 0.841 5.312 4.470 0.001 0.000 0.293 61 S C -0.100 174.408 174.600 -0.153 0.000 1.090 61 S CA -0.345 57.797 58.200 -0.096 0.000 1.264 61 S CB 1.169 64.411 63.200 0.070 0.000 1.393 61 S HN 0.545 nan 8.310 nan 0.000 0.757 62 S N 0.377 116.023 115.700 -0.088 0.000 2.588 62 S HA 0.765 5.236 4.470 0.001 0.000 0.275 62 S C -0.819 173.756 174.600 -0.042 0.000 1.130 62 S CA -0.272 57.887 58.200 -0.068 0.000 0.855 62 S CB 1.480 64.639 63.200 -0.070 0.000 1.116 62 S HN 1.027 nan 8.310 nan 0.000 0.472 63 A N 0.651 123.356 122.820 -0.191 0.000 2.567 63 A HA 0.476 4.797 4.320 0.001 0.000 0.240 63 A C 1.543 179.081 177.584 -0.077 0.000 1.053 63 A CA 0.704 52.544 52.037 -0.329 0.000 0.755 63 A CB -1.252 17.257 19.000 -0.820 0.000 0.978 63 A HN 2.081 nan 8.150 nan 0.000 0.507 64 G N 1.420 110.206 108.800 -0.023 0.000 2.189 64 G HA2 -0.381 3.580 3.960 0.001 0.000 0.267 64 G HA3 -0.381 3.580 3.960 0.001 0.000 0.267 64 G C 0.824 175.801 174.900 0.130 0.000 0.975 64 G CA 1.076 46.212 45.100 0.059 0.000 0.644 64 G HN 1.177 nan 8.290 nan 0.000 0.537 65 F N 0.509 120.484 119.950 0.041 0.000 2.075 65 F HA 0.119 4.647 4.527 0.002 0.000 0.297 65 F C 2.490 178.414 175.800 0.207 0.000 1.113 65 F CA 2.234 60.302 58.000 0.114 0.000 1.218 65 F CB -0.240 38.799 39.000 0.065 0.000 0.984 65 F HN 0.225 nan 8.300 nan 0.000 0.472 66 L N 0.868 122.280 121.223 0.315 0.000 2.079 66 L HA -0.176 4.165 4.340 0.001 0.000 0.210 66 L C 2.338 179.287 176.870 0.131 0.000 1.081 66 L CA 1.760 56.752 54.840 0.255 0.000 0.752 66 L CB -0.718 41.397 42.059 0.094 0.000 0.896 66 L HN 0.032 nan 8.230 nan 0.000 0.433 67 R N -0.557 119.994 120.500 0.084 0.000 2.119 67 R HA 0.092 4.433 4.340 0.001 0.000 0.222 67 R C 2.068 178.393 176.300 0.042 0.000 1.088 67 R CA 1.081 57.218 56.100 0.061 0.000 0.984 67 R CB -0.617 29.714 30.300 0.052 0.000 0.884 67 R HN 0.513 nan 8.270 nan 0.000 0.447 68 A N -0.597 122.230 122.820 0.013 0.000 1.975 68 A HA -0.063 4.258 4.320 0.001 0.000 0.215 68 A C 0.609 178.187 177.584 -0.009 0.000 1.170 68 A CA 0.434 52.458 52.037 -0.021 0.000 0.656 68 A CB 0.021 18.996 19.000 -0.041 0.000 0.821 68 A HN 0.417 nan 8.150 nan 0.000 0.449 69 W N 0.857 121.968 121.300 -0.316 0.000 1.485 69 W HA 0.372 5.032 4.660 0.000 0.000 0.305 69 W C -2.608 173.841 176.519 -0.116 0.000 0.879 69 W CA -2.264 54.893 57.345 -0.314 0.000 1.822 69 W CB 0.907 29.966 29.460 -0.667 0.000 1.990 69 W HN 0.132 nan 8.180 nan 0.000 0.441 70 P HA -0.199 nan 4.420 nan 0.000 0.219 70 P C 0.870 178.353 177.300 0.305 0.000 1.146 70 P CA 1.762 65.055 63.100 0.322 0.000 0.808 70 P CB 0.458 32.285 31.700 0.211 0.000 0.779 71 E N -0.974 119.386 120.200 0.268 0.000 2.333 71 E HA -0.132 4.219 4.350 0.001 0.000 0.198 71 E C 1.590 178.185 176.600 -0.008 0.000 1.007 71 E CA 0.513 57.021 56.400 0.180 0.000 0.845 71 E CB -1.201 28.642 29.700 0.238 0.000 0.766 71 E HN 0.273 nan 8.360 nan 0.000 0.507 72 F N -0.270 119.423 119.950 -0.429 0.000 2.250 72 F HA -0.138 4.389 4.527 0.001 0.000 0.301 72 F C 0.837 176.231 175.800 -0.677 0.000 1.077 72 F CA 1.125 58.616 58.000 -0.848 0.000 1.348 72 F CB 0.109 38.306 39.000 -1.339 0.000 1.040 72 F HN -0.031 nan 8.300 nan 0.000 0.509 73 F N -0.196 119.779 119.950 0.042 0.000 2.684 73 F HA 0.392 4.919 4.527 0.001 0.000 0.298 73 F C 1.536 177.334 175.800 -0.004 0.000 1.120 73 F CA 0.367 58.388 58.000 0.035 0.000 1.332 73 F CB 0.263 39.348 39.000 0.142 0.000 0.986 73 F HN 0.142 nan 8.300 nan 0.000 0.524 74 G N 0.779 109.615 108.800 0.059 0.000 4.365 74 G HA2 -0.250 3.711 3.960 0.001 0.000 0.214 74 G HA3 -0.250 3.711 3.960 0.001 0.000 0.214 74 G C 0.245 175.204 174.900 0.098 0.000 1.450 74 G CA 0.119 45.252 45.100 0.055 0.000 0.937 74 G HN 0.919 nan 8.290 nan 0.000 0.625 75 S N -1.290 114.496 115.700 0.145 0.000 2.611 75 S HA 0.643 5.114 4.470 0.001 0.000 0.270 75 S C 0.365 175.050 174.600 0.141 0.000 1.131 75 S CA 0.668 58.949 58.200 0.135 0.000 0.826 75 S CB 1.434 64.685 63.200 0.085 0.000 1.095 75 S HN 0.964 nan 8.310 nan 0.000 0.461 76 R N 1.078 121.647 120.500 0.115 0.000 2.081 76 R HA -0.057 4.284 4.340 0.001 0.000 0.235 76 R C 2.076 178.402 176.300 0.042 0.000 1.131 76 R CA 1.762 57.907 56.100 0.074 0.000 0.960 76 R CB -0.426 29.909 30.300 0.058 0.000 0.856 76 R HN 0.756 nan 8.270 nan 0.000 0.436 77 K N -0.114 120.311 120.400 0.042 0.000 2.057 77 K HA -0.117 4.204 4.320 0.001 0.000 0.207 77 K C 1.906 178.518 176.600 0.021 0.000 1.049 77 K CA 1.357 57.658 56.287 0.024 0.000 0.931 77 K CB -0.127 32.387 32.500 0.023 0.000 0.714 77 K HN 0.252 nan 8.250 nan 0.000 0.440 78 A N 1.339 124.184 122.820 0.041 0.000 1.902 78 A HA -0.163 4.158 4.320 0.001 0.000 0.217 78 A C 2.035 179.643 177.584 0.040 0.000 1.181 78 A CA 1.335 53.398 52.037 0.042 0.000 0.623 78 A CB -0.561 18.477 19.000 0.064 0.000 0.818 78 A HN 0.387 nan 8.150 nan 0.000 0.443 79 L N -0.303 120.952 121.223 0.053 0.000 2.056 79 L HA -0.011 4.330 4.340 0.001 0.000 0.207 79 L C 2.649 179.503 176.870 -0.027 0.000 1.078 79 L CA 2.178 57.036 54.840 0.031 0.000 0.749 79 L CB -0.784 41.264 42.059 -0.018 0.000 0.901 79 L HN 0.327 nan 8.230 nan 0.000 0.433 80 A N -0.671 122.129 122.820 -0.034 0.000 1.908 80 A HA -0.242 4.078 4.320 0.001 0.000 0.218 80 A C 2.171 179.700 177.584 -0.092 0.000 1.181 80 A CA 1.928 53.929 52.037 -0.060 0.000 0.627 80 A CB -0.689 18.288 19.000 -0.037 0.000 0.818 80 A HN 0.622 nan 8.150 nan 0.000 0.445 81 E N -0.565 119.598 120.200 -0.062 0.000 2.110 81 E HA -0.208 4.143 4.350 0.001 0.000 0.193 81 E C 2.110 178.644 176.600 -0.110 0.000 0.988 81 E CA 1.340 57.698 56.400 -0.070 0.000 0.804 81 E CB -0.133 29.547 29.700 -0.034 0.000 0.745 81 E HN 0.669 nan 8.360 nan 0.000 0.458 82 K N 0.829 121.169 120.400 -0.101 0.000 2.026 82 K HA -0.147 4.174 4.320 0.001 0.000 0.208 82 K C 2.167 178.508 176.600 -0.430 0.000 1.048 82 K CA 1.175 57.386 56.287 -0.125 0.000 0.929 82 K CB -0.104 32.404 32.500 0.014 0.000 0.713 82 K HN 0.076 nan 8.250 nan 0.000 0.439 83 A N 0.727 123.197 122.820 -0.582 0.000 1.877 83 A HA -0.119 4.202 4.320 0.001 0.000 0.216 83 A C 2.247 179.395 177.584 -0.727 0.000 1.186 83 A CA 1.717 53.056 52.037 -1.163 0.000 0.620 83 A CB -0.694 17.996 19.000 -0.516 0.000 0.822 83 A HN 0.185 nan 8.150 nan 0.000 0.443 84 V N 0.034 119.734 119.914 -0.357 0.000 2.343 84 V HA -0.273 3.847 4.120 0.001 0.000 0.247 84 V C 2.646 178.623 176.094 -0.195 0.000 1.051 84 V CA 2.220 64.390 62.300 -0.217 0.000 1.036 84 V CB -0.837 30.909 31.823 -0.130 0.000 0.654 84 V HN 0.517 nan 8.190 nan 0.000 0.451 85 R N 0.073 120.458 120.500 -0.191 0.000 2.083 85 R HA -0.129 4.212 4.340 0.001 0.000 0.237 85 R C 2.489 178.727 176.300 -0.103 0.000 1.137 85 R CA 1.606 57.635 56.100 -0.117 0.000 0.951 85 R CB -0.889 29.364 30.300 -0.078 0.000 0.851 85 R HN 0.596 nan 8.270 nan 0.000 0.434 86 G N 1.075 109.760 108.800 -0.190 0.000 2.421 86 G HA2 -0.215 3.746 3.960 0.001 0.000 0.216 86 G HA3 -0.215 3.746 3.960 0.001 0.000 0.216 86 G C 1.470 176.409 174.900 0.065 0.000 1.171 86 G CA 0.399 45.513 45.100 0.022 0.000 0.775 86 G HN 0.123 nan 8.290 nan 0.000 0.543 87 L N -0.248 120.942 121.223 -0.056 0.000 2.083 87 L HA -0.034 4.306 4.340 0.001 0.000 0.209 87 L C 3.161 180.026 176.870 -0.008 0.000 1.083 87 L CA 0.912 55.767 54.840 0.025 0.000 0.752 87 L CB -0.309 41.738 42.059 -0.020 0.000 0.899 87 L HN 0.145 nan 8.230 nan 0.000 0.433 88 R N -0.267 120.207 120.500 -0.043 0.000 2.096 88 R HA -0.119 4.221 4.340 0.001 0.000 0.235 88 R C 2.437 178.717 176.300 -0.032 0.000 1.127 88 R CA 1.152 57.227 56.100 -0.041 0.000 0.968 88 R CB -0.226 30.044 30.300 -0.049 0.000 0.861 88 R HN 0.360 nan 8.270 nan 0.000 0.440 89 R N 0.138 120.627 120.500 -0.018 0.000 2.090 89 R HA -0.007 4.333 4.340 0.001 0.000 0.228 89 R C 2.329 178.613 176.300 -0.026 0.000 1.110 89 R CA 1.184 57.273 56.100 -0.018 0.000 0.973 89 R CB -0.259 30.042 30.300 0.000 0.000 0.869 89 R HN 0.179 nan 8.270 nan 0.000 0.440 90 A N 1.298 124.118 122.820 -0.000 0.000 1.902 90 A HA -0.190 4.130 4.320 0.001 0.000 0.217 90 A C 2.132 179.676 177.584 -0.066 0.000 1.181 90 A CA 1.334 53.360 52.037 -0.018 0.000 0.623 90 A CB -0.460 18.569 19.000 0.049 0.000 0.818 90 A HN 0.225 nan 8.150 nan 0.000 0.443 91 R N -0.317 120.155 120.500 -0.046 0.000 2.096 91 R HA -0.097 4.244 4.340 0.001 0.000 0.235 91 R C 2.238 178.488 176.300 -0.083 0.000 1.127 91 R CA 1.415 57.476 56.100 -0.065 0.000 0.968 91 R CB -0.411 29.858 30.300 -0.052 0.000 0.861 91 R HN 0.427 nan 8.270 nan 0.000 0.440 92 A N 0.682 123.460 122.820 -0.071 0.000 1.940 92 A HA -0.085 4.235 4.320 0.001 0.000 0.219 92 A C 2.183 179.708 177.584 -0.098 0.000 1.176 92 A CA 1.635 53.629 52.037 -0.071 0.000 0.631 92 A CB -0.605 18.362 19.000 -0.055 0.000 0.814 92 A HN 0.514 nan 8.150 nan 0.000 0.446 93 A N -2.084 120.661 122.820 -0.126 0.000 2.235 93 A HA 0.410 4.731 4.320 0.001 0.000 0.208 93 A C 1.714 179.129 177.584 -0.282 0.000 1.172 93 A CA 1.252 53.183 52.037 -0.176 0.000 0.786 93 A CB -0.839 18.056 19.000 -0.176 0.000 0.804 93 A HN 1.858 nan 8.150 nan 0.000 0.479 94 G N -2.059 106.583 108.800 -0.263 0.000 2.184 94 G HA2 -0.180 3.781 3.960 0.001 0.000 0.206 94 G HA3 -0.180 3.781 3.960 0.001 0.000 0.206 94 G C 0.153 174.809 174.900 -0.406 0.000 0.995 94 G CA -0.061 44.841 45.100 -0.329 0.000 0.651 94 G HN 0.689 nan 8.290 nan 0.000 0.511 95 V N 2.363 122.065 119.914 -0.354 0.000 2.521 95 V HA 0.324 4.445 4.120 0.001 0.000 0.286 95 V C 1.580 177.680 176.094 0.009 0.000 1.034 95 V CA 0.130 62.347 62.300 -0.137 0.000 1.045 95 V CB 1.265 33.068 31.823 -0.033 0.000 0.974 95 V HN 0.336 nan 8.190 nan 0.000 0.480 96 R N 2.344 122.919 120.500 0.126 0.000 2.195 96 R HA 0.231 4.572 4.340 0.001 0.000 0.197 96 R C 0.323 176.716 176.300 0.155 0.000 0.990 96 R CA 0.408 56.576 56.100 0.112 0.000 1.048 96 R CB 0.468 30.869 30.300 0.169 0.000 0.997 96 R HN 0.672 nan 8.270 nan 0.000 0.502 97 T N 1.615 116.292 114.554 0.206 0.000 2.916 97 T HA 0.602 4.953 4.350 0.001 0.000 0.305 97 T C -0.382 174.417 174.700 0.165 0.000 1.119 97 T CA -0.655 61.569 62.100 0.207 0.000 1.008 97 T CB 2.421 71.412 68.868 0.205 0.000 1.129 97 T HN 0.165 nan 8.240 nan 0.000 0.480 98 I N -1.310 119.341 120.570 0.134 0.000 2.828 98 I HA 0.894 5.065 4.170 0.001 0.000 0.302 98 I C -1.339 174.817 176.117 0.066 0.000 1.101 98 I CA -1.329 60.036 61.300 0.108 0.000 1.031 98 I CB 2.079 40.146 38.000 0.112 0.000 1.231 98 I HN 0.309 nan 8.210 nan 0.000 0.427 99 V N 3.481 123.413 119.914 0.031 0.000 2.328 99 V HA 0.264 4.385 4.120 0.001 0.000 0.278 99 V C -0.476 175.558 176.094 -0.100 0.000 1.021 99 V CA -0.233 62.054 62.300 -0.021 0.000 0.838 99 V CB 0.979 32.795 31.823 -0.012 0.000 0.999 99 V HN 0.736 nan 8.190 nan 0.000 0.447 100 D N 4.385 124.725 120.400 -0.100 0.000 2.365 100 D HA 0.114 4.755 4.640 0.001 0.000 0.237 100 D C 0.812 176.974 176.300 -0.230 0.000 1.190 100 D CA -0.256 53.643 54.000 -0.168 0.000 0.867 100 D CB 1.831 42.592 40.800 -0.065 0.000 1.050 100 D HN 0.463 nan 8.370 nan 0.000 0.491 101 V N 1.681 121.329 119.914 -0.444 0.000 3.416 101 V HA 0.211 4.331 4.120 0.001 0.000 0.334 101 V C 0.448 176.412 176.094 -0.217 0.000 1.271 101 V CA -0.530 61.538 62.300 -0.387 0.000 1.274 101 V CB -0.874 30.594 31.823 -0.591 0.000 1.153 101 V HN 0.266 nan 8.190 nan 0.000 0.433 102 S N 2.562 118.202 115.700 -0.101 0.000 2.505 102 S HA 0.442 4.913 4.470 0.001 0.000 0.276 102 S C 0.846 175.430 174.600 -0.028 0.000 1.274 102 S CA 0.174 58.363 58.200 -0.018 0.000 1.053 102 S CB 0.872 64.082 63.200 0.017 0.000 0.919 102 S HN 0.885 nan 8.310 nan 0.000 0.490 103 T N 0.629 115.175 114.554 -0.013 0.000 2.852 103 T HA 0.396 4.746 4.350 0.001 0.000 0.281 103 T C 1.013 175.818 174.700 0.174 0.000 0.993 103 T CA -0.771 61.395 62.100 0.111 0.000 0.933 103 T CB 0.088 69.070 68.868 0.190 0.000 1.187 103 T HN 0.366 nan 8.240 nan 0.000 0.559 104 F N 2.214 122.272 119.950 0.178 0.000 2.063 104 F HA -0.208 4.319 4.527 0.001 0.000 0.298 104 F C 2.121 178.010 175.800 0.149 0.000 1.109 104 F CA 2.511 60.636 58.000 0.207 0.000 1.212 104 F CB -0.572 38.628 39.000 0.333 0.000 0.973 104 F HN 0.747 nan 8.300 nan 0.000 0.480 105 D N 0.021 120.531 120.400 0.183 0.000 2.371 105 D HA -0.150 4.491 4.640 0.001 0.000 0.221 105 D C 1.889 178.198 176.300 0.015 0.000 0.986 105 D CA 0.955 55.003 54.000 0.079 0.000 0.899 105 D CB -0.840 40.155 40.800 0.324 0.000 0.902 105 D HN 0.498 nan 8.370 nan 0.000 0.530 106 I N 0.160 120.665 120.570 -0.110 0.000 3.793 106 I HA 0.130 4.301 4.170 0.001 0.000 0.315 106 I C 1.382 177.365 176.117 -0.224 0.000 1.275 106 I CA 0.385 61.469 61.300 -0.360 0.000 1.214 106 I CB -0.106 37.558 38.000 -0.560 0.000 1.018 106 I HN 0.151 nan 8.210 nan 0.000 0.439 107 G N 2.391 111.092 108.800 -0.166 0.000 2.160 107 G HA2 -0.326 3.635 3.960 0.001 0.000 0.251 107 G HA3 -0.326 3.635 3.960 0.001 0.000 0.251 107 G C 0.527 175.384 174.900 -0.071 0.000 1.008 107 G CA -0.034 44.994 45.100 -0.120 0.000 0.724 107 G HN 0.490 nan 8.290 nan 0.000 0.514 108 R N 0.582 121.050 120.500 -0.053 0.000 2.494 108 R HA 0.143 4.484 4.340 0.001 0.000 0.291 108 R C -0.959 175.350 176.300 0.015 0.000 0.953 108 R CA 0.750 56.845 56.100 -0.009 0.000 1.098 108 R CB 0.245 30.564 30.300 0.032 0.000 0.911 108 R HN 0.154 nan 8.270 nan 0.000 0.407 109 D N 5.014 125.420 120.400 0.011 0.000 2.438 109 D HA 0.076 4.717 4.640 0.001 0.000 0.257 109 D C 0.933 177.249 176.300 0.026 0.000 1.148 109 D CA -0.438 53.576 54.000 0.023 0.000 0.902 109 D CB 1.461 42.265 40.800 0.006 0.000 1.062 109 D HN 0.351 nan 8.370 nan 0.000 0.518 110 V N 2.760 122.698 119.914 0.041 0.000 2.453 110 V HA -0.241 3.880 4.120 0.001 0.000 0.252 110 V C 2.297 178.409 176.094 0.030 0.000 1.068 110 V CA 1.873 64.195 62.300 0.036 0.000 1.070 110 V CB -0.269 31.581 31.823 0.045 0.000 0.664 110 V HN 0.474 nan 8.190 nan 0.000 0.461 111 S N -0.186 115.533 115.700 0.032 0.000 2.368 111 S HA -0.184 4.287 4.470 0.001 0.000 0.225 111 S C 1.849 176.459 174.600 0.017 0.000 1.030 111 S CA 1.712 59.928 58.200 0.026 0.000 0.999 111 S CB -0.390 62.827 63.200 0.028 0.000 0.844 111 S HN 0.484 nan 8.310 nan 0.000 0.459 112 L N 1.497 122.727 121.223 0.012 0.000 2.017 112 L HA -0.048 4.293 4.340 0.001 0.000 0.208 112 L C 1.892 178.766 176.870 0.006 0.000 1.073 112 L CA 1.557 56.398 54.840 0.001 0.000 0.745 112 L CB -0.700 41.352 42.059 -0.012 0.000 0.894 112 L HN 0.153 nan 8.230 nan 0.000 0.432 113 L N -0.006 121.226 121.223 0.015 0.000 2.042 113 L HA -0.172 4.169 4.340 0.001 0.000 0.210 113 L C 2.707 179.589 176.870 0.020 0.000 1.076 113 L CA 2.080 56.934 54.840 0.023 0.000 0.749 113 L CB -1.593 40.481 42.059 0.025 0.000 0.893 113 L HN 0.375 nan 8.230 nan 0.000 0.432 114 A N -1.056 121.776 122.820 0.019 0.000 1.902 114 A HA -0.255 4.066 4.320 0.001 0.000 0.217 114 A C 2.355 179.945 177.584 0.010 0.000 1.181 114 A CA 1.742 53.790 52.037 0.018 0.000 0.623 114 A CB -0.592 18.420 19.000 0.020 0.000 0.818 114 A HN 0.504 nan 8.150 nan 0.000 0.443 115 E N 0.149 120.353 120.200 0.006 0.000 2.058 115 E HA -0.176 4.175 4.350 0.001 0.000 0.194 115 E C 2.024 178.616 176.600 -0.013 0.000 0.997 115 E CA 2.173 58.572 56.400 -0.003 0.000 0.801 115 E CB -0.238 29.459 29.700 -0.004 0.000 0.746 115 E HN 0.553 nan 8.360 nan 0.000 0.450 116 V N -1.004 118.901 119.914 -0.016 0.000 2.548 116 V HA -0.141 3.980 4.120 0.001 0.000 0.249 116 V C 2.347 178.426 176.094 -0.025 0.000 1.055 116 V CA 1.991 64.272 62.300 -0.032 0.000 1.065 116 V CB -0.542 31.253 31.823 -0.048 0.000 0.681 116 V HN 0.241 nan 8.190 nan 0.000 0.462 117 S N 0.676 116.373 115.700 -0.004 0.000 2.356 117 S HA -0.220 4.251 4.470 0.001 0.000 0.223 117 S C 2.245 176.834 174.600 -0.018 0.000 1.032 117 S CA 1.957 60.156 58.200 -0.001 0.000 1.005 117 S CB -0.403 62.810 63.200 0.022 0.000 0.867 117 S HN 0.710 nan 8.310 nan 0.000 0.449 118 R N 0.594 121.088 120.500 -0.011 0.000 2.066 118 R HA 0.050 4.390 4.340 0.001 0.000 0.232 118 R C 2.701 178.986 176.300 -0.025 0.000 1.131 118 R CA 1.328 57.419 56.100 -0.015 0.000 0.955 118 R CB -0.624 29.673 30.300 -0.005 0.000 0.851 118 R HN 0.505 nan 8.270 nan 0.000 0.432 119 A N 0.931 123.735 122.820 -0.028 0.000 1.930 119 A HA -0.017 4.304 4.320 0.001 0.000 0.217 119 A C 2.162 179.719 177.584 -0.044 0.000 1.175 119 A CA 1.613 53.629 52.037 -0.034 0.000 0.627 119 A CB -0.308 18.670 19.000 -0.038 0.000 0.815 119 A HN 0.390 nan 8.150 nan 0.000 0.443 120 A N -1.699 121.091 122.820 -0.050 0.000 2.195 120 A HA 0.335 4.655 4.320 0.001 0.000 0.210 120 A C 0.739 178.287 177.584 -0.061 0.000 1.165 120 A CA 1.052 53.055 52.037 -0.057 0.000 0.806 120 A CB -0.121 18.843 19.000 -0.061 0.000 0.847 120 A HN 0.542 nan 8.150 nan 0.000 0.482 121 D N -1.127 119.233 120.400 -0.066 0.000 2.718 121 D HA -0.121 4.519 4.640 0.001 0.000 0.242 121 D C -0.845 175.365 176.300 -0.150 0.000 1.123 121 D CA 0.855 54.796 54.000 -0.098 0.000 0.690 121 D CB -1.575 39.174 40.800 -0.085 0.000 1.059 121 D HN 0.216 nan 8.370 nan 0.000 0.429 122 V N 2.566 122.399 119.914 -0.134 0.000 2.638 122 V HA 0.353 4.474 4.120 0.001 0.000 0.306 122 V C 0.352 176.381 176.094 -0.109 0.000 1.052 122 V CA -0.973 61.245 62.300 -0.136 0.000 0.885 122 V CB 1.976 33.782 31.823 -0.030 0.000 0.999 122 V HN 0.242 nan 8.190 nan 0.000 0.424 123 H N 4.661 123.749 119.070 0.030 0.000 2.732 123 H HA 0.482 5.038 4.556 0.001 0.000 0.351 123 H C -0.453 174.893 175.328 0.029 0.000 1.090 123 H CA 0.263 56.326 56.048 0.025 0.000 1.431 123 H CB 1.138 30.915 29.762 0.025 0.000 1.447 123 H HN 0.434 nan 8.280 nan 0.000 0.582 124 I N 3.034 123.693 120.570 0.148 0.000 2.478 124 I HA 0.117 4.288 4.170 0.001 0.000 0.287 124 I C -0.285 175.863 176.117 0.050 0.000 1.042 124 I CA -0.785 60.566 61.300 0.085 0.000 1.067 124 I CB 2.126 40.163 38.000 0.062 0.000 1.233 124 I HN 0.127 nan 8.210 nan 0.000 0.431 125 V N 5.495 125.424 119.914 0.024 0.000 2.407 125 V HA 0.584 4.704 4.120 0.001 0.000 0.278 125 V C 0.615 176.691 176.094 -0.030 0.000 1.037 125 V CA -0.355 61.938 62.300 -0.013 0.000 0.900 125 V CB 1.440 33.246 31.823 -0.028 0.000 0.983 125 V HN 0.843 nan 8.190 nan 0.000 0.459 126 A N 4.331 127.130 122.820 -0.036 0.000 2.264 126 A HA 0.939 5.259 4.320 0.001 0.000 0.304 126 A C 0.139 177.683 177.584 -0.066 0.000 1.100 126 A CA -0.056 51.957 52.037 -0.041 0.000 0.839 126 A CB 1.119 20.107 19.000 -0.021 0.000 1.121 126 A HN 1.238 nan 8.150 nan 0.000 0.496 127 A N -0.205 122.575 122.820 -0.067 0.000 2.384 127 A HA 0.827 5.148 4.320 0.001 0.000 0.312 127 A C 0.069 177.609 177.584 -0.073 0.000 1.113 127 A CA -0.000 51.983 52.037 -0.089 0.000 0.779 127 A CB 1.414 20.355 19.000 -0.097 0.000 1.307 127 A HN 1.158 nan 8.150 nan 0.000 0.436 128 T N -1.274 113.202 114.554 -0.132 0.000 2.718 128 T HA 0.791 5.141 4.350 0.001 0.000 0.267 128 T C 0.397 174.934 174.700 -0.272 0.000 0.957 128 T CA 0.938 62.941 62.100 -0.162 0.000 1.025 128 T CB 1.025 69.753 68.868 -0.234 0.000 1.355 128 T HN 2.695 nan 8.240 nan 0.000 0.572 129 G N -0.220 108.241 108.800 -0.565 0.000 2.526 129 G HA2 0.081 4.042 3.960 0.001 0.000 0.250 129 G HA3 0.081 4.042 3.960 0.001 0.000 0.250 129 G C -1.784 173.101 174.900 -0.026 0.000 1.289 129 G CA -0.353 44.247 45.100 -0.834 0.000 0.947 129 G HN 0.898 nan 8.290 nan 0.000 0.517 130 L N -1.268 120.050 121.223 0.158 0.000 2.455 130 L HA 0.595 4.936 4.340 0.001 0.000 0.264 130 L C 0.029 177.130 176.870 0.385 0.000 0.968 130 L CA -0.727 54.353 54.840 0.400 0.000 0.827 130 L CB 2.181 44.563 42.059 0.539 0.000 1.317 130 L HN 0.851 nan 8.230 nan 0.000 0.407 131 W N 2.868 124.257 121.300 0.149 0.000 2.048 131 W HA 0.296 4.957 4.660 0.001 0.000 0.572 131 W C 0.929 177.515 176.519 0.111 0.000 1.941 131 W CA -0.117 57.258 57.345 0.050 0.000 2.181 131 W CB 0.295 29.684 29.460 -0.117 0.000 2.444 131 W HN 0.373 nan 8.180 nan 0.000 0.765 132 F N 0.825 120.447 119.950 -0.546 0.000 2.664 132 F HA 0.280 4.808 4.527 0.001 0.000 0.301 132 F C 0.269 175.861 175.800 -0.347 0.000 1.126 132 F CA -0.293 57.398 58.000 -0.515 0.000 1.373 132 F CB -0.554 38.050 39.000 -0.660 0.000 1.042 132 F HN 0.063 nan 8.300 nan 0.000 0.535 133 D N 1.880 122.204 120.400 -0.127 0.000 2.945 133 D HA 0.255 4.896 4.640 0.001 0.000 0.366 133 D C -2.805 173.584 176.300 0.148 0.000 1.352 133 D CA -2.121 51.898 54.000 0.032 0.000 0.810 133 D CB 0.505 41.337 40.800 0.053 0.000 1.170 133 D HN 0.038 nan 8.370 nan 0.000 0.461 134 P HA 0.247 nan 4.420 nan 0.000 0.271 134 P C -2.584 174.765 177.300 0.081 0.000 1.216 134 P CA -1.105 62.115 63.100 0.200 0.000 0.776 134 P CB 0.725 32.553 31.700 0.214 0.000 0.881 135 P HA 0.219 nan 4.420 nan 0.000 0.279 135 P C 1.254 178.534 177.300 -0.034 0.000 1.276 135 P CA -0.506 62.629 63.100 0.059 0.000 0.801 135 P CB 1.075 32.852 31.700 0.129 0.000 1.127 136 L N 0.016 121.213 121.223 -0.044 0.000 2.043 136 L HA -0.223 4.118 4.340 0.001 0.000 0.212 136 L C 2.491 179.301 176.870 -0.099 0.000 1.075 136 L CA 1.925 56.714 54.840 -0.086 0.000 0.752 136 L CB -1.023 41.005 42.059 -0.052 0.000 0.891 136 L HN 0.373 nan 8.230 nan 0.000 0.432 137 S N -1.024 114.641 115.700 -0.059 0.000 2.442 137 S HA -0.116 4.354 4.470 0.001 0.000 0.236 137 S C 1.883 176.403 174.600 -0.132 0.000 1.007 137 S CA 1.111 59.264 58.200 -0.080 0.000 0.965 137 S CB -0.045 63.122 63.200 -0.056 0.000 0.773 137 S HN 0.300 nan 8.310 nan 0.000 0.504 138 M N 0.740 120.257 119.600 -0.139 0.000 2.412 138 M HA 0.172 4.653 4.480 0.001 0.000 0.263 138 M C 1.921 178.060 176.300 -0.268 0.000 1.122 138 M CA 0.868 56.084 55.300 -0.139 0.000 1.179 138 M CB -0.899 31.682 32.600 -0.032 0.000 1.335 138 M HN 0.207 nan 8.290 nan 0.000 0.465 139 R N 0.493 120.641 120.500 -0.587 0.000 2.200 139 R HA -0.044 4.297 4.340 0.001 0.000 0.234 139 R C 1.658 177.619 176.300 -0.564 0.000 1.127 139 R CA 0.906 56.311 56.100 -1.159 0.000 0.989 139 R CB -0.443 29.405 30.300 -0.753 0.000 0.869 139 R HN 0.358 nan 8.270 nan 0.000 0.459 140 L N 0.796 121.874 121.223 -0.242 0.000 2.611 140 L HA 0.125 4.466 4.340 0.001 0.000 0.229 140 L C 0.493 177.361 176.870 -0.004 0.000 1.137 140 L CA -0.046 54.740 54.840 -0.091 0.000 0.901 140 L CB -0.109 41.905 42.059 -0.074 0.000 1.098 140 L HN 0.022 nan 8.230 nan 0.000 0.456 141 R N 0.854 121.384 120.500 0.050 0.000 2.560 141 R HA 0.268 4.609 4.340 0.001 0.000 0.270 141 R C 0.520 176.899 176.300 0.133 0.000 1.074 141 R CA -0.065 56.083 56.100 0.080 0.000 1.140 141 R CB 1.245 31.575 30.300 0.049 0.000 1.073 141 R HN 0.076 nan 8.270 nan 0.000 0.527 142 S N -0.534 115.201 115.700 0.058 0.000 2.669 142 S HA 0.069 4.540 4.470 0.001 0.000 0.270 142 S C 1.269 175.875 174.600 0.010 0.000 1.225 142 S CA -0.704 57.522 58.200 0.044 0.000 0.991 142 S CB 1.250 64.463 63.200 0.021 0.000 0.987 142 S HN 0.401 nan 8.310 nan 0.000 0.552 143 V N 1.172 121.084 119.914 -0.004 0.000 2.332 143 V HA -0.167 3.954 4.120 0.001 0.000 0.248 143 V C 2.303 178.371 176.094 -0.043 0.000 1.055 143 V CA 2.600 64.880 62.300 -0.033 0.000 1.038 143 V CB -1.200 30.614 31.823 -0.015 0.000 0.651 143 V HN 0.956 nan 8.190 nan 0.000 0.450 144 E N 0.137 120.324 120.200 -0.021 0.000 2.051 144 E HA -0.214 4.137 4.350 0.001 0.000 0.192 144 E C 2.155 178.736 176.600 -0.033 0.000 0.991 144 E CA 1.887 58.276 56.400 -0.018 0.000 0.799 144 E CB -0.239 29.459 29.700 -0.003 0.000 0.748 144 E HN 0.745 nan 8.360 nan 0.000 0.449 145 E N 0.375 120.556 120.200 -0.033 0.000 2.031 145 E HA -0.165 4.186 4.350 0.001 0.000 0.193 145 E C 2.164 178.712 176.600 -0.087 0.000 0.994 145 E CA 0.930 57.307 56.400 -0.038 0.000 0.800 145 E CB -0.197 29.486 29.700 -0.028 0.000 0.752 145 E HN 0.191 nan 8.360 nan 0.000 0.447 146 L N 0.853 121.981 121.223 -0.157 0.000 2.081 146 L HA -0.226 4.115 4.340 0.001 0.000 0.212 146 L C 2.589 179.118 176.870 -0.568 0.000 1.080 146 L CA 1.303 55.902 54.840 -0.401 0.000 0.754 146 L CB -0.787 40.991 42.059 -0.468 0.000 0.893 146 L HN 0.221 nan 8.230 nan 0.000 0.433 147 T N -1.221 113.161 114.554 -0.286 0.000 2.684 147 T HA -0.206 4.145 4.350 0.001 0.000 0.267 147 T C 1.936 176.594 174.700 -0.069 0.000 1.036 147 T CA 1.122 63.135 62.100 -0.146 0.000 1.148 147 T CB -0.137 68.711 68.868 -0.034 0.000 0.863 147 T HN 0.300 nan 8.240 nan 0.000 0.436 148 Q N 0.094 119.873 119.800 -0.035 0.000 2.124 148 Q HA -0.006 4.335 4.340 0.001 0.000 0.202 148 Q C 2.038 178.078 176.000 0.068 0.000 0.977 148 Q CA 1.159 56.981 55.803 0.031 0.000 0.850 148 Q CB -0.650 28.116 28.738 0.046 0.000 0.901 148 Q HN 0.637 nan 8.270 nan 0.000 0.429 149 F N 0.451 120.332 119.950 -0.115 0.000 2.102 149 F HA -0.248 4.279 4.527 0.001 0.000 0.298 149 F C 1.749 177.606 175.800 0.096 0.000 1.105 149 F CA 1.082 59.047 58.000 -0.058 0.000 1.239 149 F CB -0.099 38.806 39.000 -0.159 0.000 0.991 149 F HN -0.064 nan 8.300 nan 0.000 0.474 150 F N 0.881 120.742 119.950 -0.148 0.000 2.171 150 F HA -0.173 4.354 4.527 0.001 0.000 0.300 150 F C 2.219 177.872 175.800 -0.246 0.000 1.090 150 F CA 0.937 58.773 58.000 -0.273 0.000 1.293 150 F CB -1.574 37.384 39.000 -0.071 0.000 1.013 150 F HN 0.029 nan 8.300 nan 0.000 0.486 151 L N -0.421 120.816 121.223 0.023 0.000 2.083 151 L HA -0.198 4.143 4.340 0.001 0.000 0.209 151 L C 2.733 179.512 176.870 -0.151 0.000 1.083 151 L CA 1.250 56.049 54.840 -0.067 0.000 0.752 151 L CB -0.579 41.459 42.059 -0.036 0.000 0.899 151 L HN 0.068 nan 8.230 nan 0.000 0.433 152 R N 0.681 121.145 120.500 -0.060 0.000 2.083 152 R HA -0.207 4.133 4.340 0.001 0.000 0.237 152 R C 2.031 178.284 176.300 -0.078 0.000 1.137 152 R CA 1.928 58.053 56.100 0.042 0.000 0.951 152 R CB -0.192 30.162 30.300 0.090 0.000 0.851 152 R HN 0.440 nan 8.270 nan 0.000 0.434 153 E N -0.033 120.042 120.200 -0.207 0.000 2.204 153 E HA -0.170 4.181 4.350 0.001 0.000 0.194 153 E C 2.063 178.574 176.600 -0.148 0.000 0.989 153 E CA 1.271 57.559 56.400 -0.187 0.000 0.824 153 E CB -0.033 29.492 29.700 -0.291 0.000 0.756 153 E HN 0.487 nan 8.360 nan 0.000 0.477 154 I N 0.722 121.186 120.570 -0.177 0.000 2.339 154 I HA -0.211 3.960 4.170 0.001 0.000 0.245 154 I C 2.391 178.378 176.117 -0.217 0.000 1.096 154 I CA 0.951 62.147 61.300 -0.174 0.000 1.408 154 I CB -0.037 37.864 38.000 -0.165 0.000 1.092 154 I HN 0.001 nan 8.210 nan 0.000 0.423 155 Q N -0.459 119.121 119.800 -0.366 0.000 2.123 155 Q HA -0.063 4.278 4.340 0.001 0.000 0.196 155 Q C 1.819 177.521 176.000 -0.496 0.000 0.958 155 Q CA 1.410 56.881 55.803 -0.553 0.000 0.841 155 Q CB 0.062 28.236 28.738 -0.941 0.000 0.915 155 Q HN 0.543 nan 8.270 nan 0.000 0.455 156 Y N -0.580 119.703 120.300 -0.027 0.000 2.382 156 Y HA 0.372 4.923 4.550 0.001 0.000 0.292 156 Y C 1.093 176.984 175.900 -0.014 0.000 1.151 156 Y CA 0.049 58.139 58.100 -0.016 0.000 1.198 156 Y CB 0.823 39.277 38.460 -0.009 0.000 1.195 156 Y HN 0.096 nan 8.280 nan 0.000 0.530 157 G N 0.065 108.932 108.800 0.113 0.000 2.352 157 G HA2 0.201 4.161 3.960 0.001 0.000 0.305 157 G HA3 0.201 4.161 3.960 0.001 0.000 0.305 157 G C -1.683 173.250 174.900 0.054 0.000 1.537 157 G CA -1.155 43.981 45.100 0.060 0.000 0.959 157 G HN 0.023 nan 8.290 nan 0.000 0.668 158 I N 1.946 122.540 120.570 0.039 0.000 2.496 158 I HA 0.306 4.477 4.170 0.001 0.000 0.285 158 I C 1.147 177.319 176.117 0.093 0.000 1.080 158 I CA 0.353 61.689 61.300 0.060 0.000 1.404 158 I CB 0.797 38.830 38.000 0.055 0.000 1.403 158 I HN 0.951 nan 8.210 nan 0.000 0.539 159 E N 3.459 123.737 120.200 0.131 0.000 3.374 159 E HA -0.325 4.025 4.350 0.001 0.000 0.319 159 E C 0.045 176.704 176.600 0.098 0.000 1.492 159 E CA 1.745 58.224 56.400 0.132 0.000 1.899 159 E CB -0.452 29.326 29.700 0.130 0.000 1.894 159 E HN 0.935 nan 8.360 nan 0.000 0.484 160 D N 0.081 120.530 120.400 0.080 0.000 2.463 160 D HA 0.044 4.684 4.640 0.001 0.000 0.224 160 D C 1.004 177.336 176.300 0.053 0.000 1.174 160 D CA 0.897 54.934 54.000 0.062 0.000 0.829 160 D CB -0.139 40.694 40.800 0.054 0.000 0.993 160 D HN 0.421 nan 8.370 nan 0.000 0.497 161 T N -4.310 110.278 114.554 0.057 0.000 3.051 161 T HA 0.289 4.640 4.350 0.001 0.000 0.255 161 T C 1.856 176.581 174.700 0.042 0.000 1.085 161 T CA 0.754 62.882 62.100 0.047 0.000 1.109 161 T CB -0.177 68.719 68.868 0.046 0.000 0.921 161 T HN 0.331 nan 8.240 nan 0.000 0.488 162 G N 1.434 110.263 108.800 0.049 0.000 2.184 162 G HA2 -0.223 3.738 3.960 0.001 0.000 0.264 162 G HA3 -0.223 3.738 3.960 0.001 0.000 0.264 162 G C 0.076 174.995 174.900 0.033 0.000 0.975 162 G CA 0.178 45.306 45.100 0.047 0.000 0.642 162 G HN 0.664 nan 8.290 nan 0.000 0.536 163 I N 1.600 122.187 120.570 0.029 0.000 2.379 163 I HA 0.279 4.449 4.170 0.001 0.000 0.290 163 I C 0.975 177.094 176.117 0.002 0.000 1.063 163 I CA -0.308 61.001 61.300 0.016 0.000 1.351 163 I CB 0.544 38.556 38.000 0.020 0.000 1.410 163 I HN 0.075 nan 8.210 nan 0.000 0.505 164 R N 5.222 125.713 120.500 -0.016 0.000 2.368 164 R HA 0.621 4.962 4.340 0.001 0.000 0.302 164 R C -0.106 176.159 176.300 -0.058 0.000 1.002 164 R CA -0.688 55.386 56.100 -0.043 0.000 0.929 164 R CB 1.366 31.632 30.300 -0.057 0.000 1.073 164 R HN 0.695 nan 8.270 nan 0.000 0.464 165 A N 1.413 124.186 122.820 -0.078 0.000 2.462 165 A HA 0.319 4.639 4.320 0.001 0.000 0.243 165 A C 1.049 178.568 177.584 -0.108 0.000 1.076 165 A CA 0.107 52.089 52.037 -0.091 0.000 0.773 165 A CB 0.324 19.256 19.000 -0.113 0.000 1.010 165 A HN 0.948 nan 8.150 nan 0.000 0.493 166 G N 0.604 109.338 108.800 -0.109 0.000 3.324 166 G HA2 0.459 4.420 3.960 0.001 0.000 0.251 166 G HA3 0.459 4.420 3.960 0.001 0.000 0.251 166 G C -0.003 174.796 174.900 -0.168 0.000 1.072 166 G CA 0.322 45.345 45.100 -0.129 0.000 0.787 166 G HN 0.747 nan 8.290 nan 0.000 0.537 167 I N -0.426 120.046 120.570 -0.165 0.000 2.947 167 I HA 0.485 4.656 4.170 0.001 0.000 0.301 167 I C -1.776 174.233 176.117 -0.180 0.000 1.453 167 I CA -1.252 59.933 61.300 -0.191 0.000 0.984 167 I CB 2.601 40.505 38.000 -0.160 0.000 1.333 167 I HN -0.150 nan 8.210 nan 0.000 0.475 168 I N 4.899 125.356 120.570 -0.189 0.000 2.406 168 I HA 0.401 4.572 4.170 0.001 0.000 0.290 168 I C -0.813 175.216 176.117 -0.147 0.000 0.999 168 I CA -0.588 60.580 61.300 -0.220 0.000 1.124 168 I CB 1.734 39.587 38.000 -0.243 0.000 1.289 168 I HN 0.320 nan 8.210 nan 0.000 0.441 169 K N 6.866 127.184 120.400 -0.136 0.000 2.206 169 K HA 0.758 5.079 4.320 0.001 0.000 0.264 169 K C -1.000 175.625 176.600 0.040 0.000 0.967 169 K CA -0.534 55.743 56.287 -0.017 0.000 0.844 169 K CB 1.501 33.999 32.500 -0.004 0.000 1.099 169 K HN 0.454 nan 8.250 nan 0.000 0.441 170 V N -0.274 119.734 119.914 0.158 0.000 3.167 170 V HA 1.028 5.149 4.120 0.001 0.000 0.310 170 V C -1.158 175.118 176.094 0.302 0.000 1.207 170 V CA -0.651 61.780 62.300 0.218 0.000 1.059 170 V CB 1.445 33.405 31.823 0.228 0.000 1.079 170 V HN 0.957 nan 8.190 nan 0.000 0.446 171 A N 0.849 123.837 122.820 0.281 0.000 2.605 171 A HA 0.968 5.288 4.320 0.001 0.000 0.294 171 A C -0.439 177.266 177.584 0.201 0.000 1.062 171 A CA 0.008 52.237 52.037 0.321 0.000 0.682 171 A CB 1.586 20.802 19.000 0.360 0.000 1.278 171 A HN 2.298 nan 8.150 nan 0.000 0.410 172 T N -1.699 112.972 114.554 0.194 0.000 2.883 172 T HA 0.792 5.143 4.350 0.001 0.000 0.301 172 T C -0.438 174.296 174.700 0.057 0.000 1.158 172 T CA 0.011 62.154 62.100 0.072 0.000 1.007 172 T CB 1.722 70.606 68.868 0.027 0.000 1.186 172 T HN 1.814 nan 8.240 nan 0.000 0.499 173 T N -1.381 113.118 114.554 -0.090 0.000 3.428 173 T HA 0.684 5.035 4.350 0.001 0.000 0.301 173 T C 0.672 175.308 174.700 -0.107 0.000 1.323 173 T CA 0.053 62.069 62.100 -0.140 0.000 1.647 173 T CB -0.218 68.395 68.868 -0.426 0.000 0.871 173 T HN 2.112 nan 8.240 nan 0.000 0.627 174 G N 1.821 110.586 108.800 -0.059 0.000 2.500 174 G HA2 -0.069 3.892 3.960 0.001 0.000 0.209 174 G HA3 -0.069 3.892 3.960 0.001 0.000 0.209 174 G C -0.607 174.261 174.900 -0.053 0.000 1.283 174 G CA -0.652 44.411 45.100 -0.062 0.000 0.960 174 G HN 0.764 nan 8.290 nan 0.000 0.528 175 K N 0.664 121.033 120.400 -0.051 0.000 2.524 175 K HA 0.469 4.790 4.320 0.001 0.000 0.279 175 K C 0.973 177.549 176.600 -0.039 0.000 0.993 175 K CA 0.429 56.690 56.287 -0.044 0.000 1.030 175 K CB 0.172 32.649 32.500 -0.038 0.000 0.891 175 K HN 1.521 nan 8.250 nan 0.000 0.488 176 A N 3.458 126.255 122.820 -0.039 0.000 2.483 176 A HA 0.115 4.436 4.320 0.001 0.000 0.238 176 A C 0.323 177.901 177.584 -0.010 0.000 1.070 176 A CA 0.095 52.115 52.037 -0.028 0.000 0.770 176 A CB -0.014 18.959 19.000 -0.045 0.000 1.008 176 A HN 0.882 nan 8.150 nan 0.000 0.497 177 T N 0.273 114.836 114.554 0.015 0.000 2.788 177 T HA 0.391 4.741 4.350 0.001 0.000 0.287 177 T C -1.854 172.879 174.700 0.055 0.000 1.007 177 T CA -1.160 60.965 62.100 0.041 0.000 1.005 177 T CB 0.482 69.399 68.868 0.082 0.000 1.012 177 T HN 0.342 nan 8.240 nan 0.000 0.530 178 P HA -0.061 nan 4.420 nan 0.000 0.216 178 P C 1.225 178.588 177.300 0.106 0.000 1.153 178 P CA 0.775 63.917 63.100 0.070 0.000 0.858 178 P CB -0.151 31.595 31.700 0.076 0.000 0.789 179 F N 0.578 120.540 119.950 0.020 0.000 2.186 179 F HA -0.157 4.371 4.527 0.001 0.000 0.299 179 F C 2.154 177.987 175.800 0.055 0.000 1.090 179 F CA 1.543 59.564 58.000 0.035 0.000 1.307 179 F CB -0.812 38.211 39.000 0.039 0.000 1.019 179 F HN -0.111 nan 8.300 nan 0.000 0.489 180 Q N 0.081 119.874 119.800 -0.012 0.000 2.170 180 Q HA -0.213 4.128 4.340 0.001 0.000 0.203 180 Q C 2.064 177.988 176.000 -0.127 0.000 0.976 180 Q CA 1.912 57.663 55.803 -0.086 0.000 0.858 180 Q CB -0.274 28.478 28.738 0.022 0.000 0.907 180 Q HN 0.568 nan 8.270 nan 0.000 0.433 181 E N 0.467 120.613 120.200 -0.090 0.000 2.110 181 E HA -0.171 4.179 4.350 0.001 0.000 0.193 181 E C 2.014 178.553 176.600 -0.102 0.000 0.988 181 E CA 0.823 57.171 56.400 -0.087 0.000 0.804 181 E CB -0.078 29.591 29.700 -0.052 0.000 0.745 181 E HN 0.356 nan 8.360 nan 0.000 0.458 182 L N 0.564 121.694 121.223 -0.155 0.000 2.046 182 L HA -0.173 4.168 4.340 0.001 0.000 0.208 182 L C 2.512 179.278 176.870 -0.175 0.000 1.077 182 L CA 0.760 55.501 54.840 -0.165 0.000 0.747 182 L CB -0.561 41.376 42.059 -0.203 0.000 0.896 182 L HN 0.056 nan 8.230 nan 0.000 0.432 183 V N -0.031 119.700 119.914 -0.306 0.000 2.295 183 V HA -0.289 3.832 4.120 0.001 0.000 0.246 183 V C 2.468 178.644 176.094 0.137 0.000 1.049 183 V CA 1.556 63.811 62.300 -0.075 0.000 1.024 183 V CB -0.421 31.335 31.823 -0.113 0.000 0.648 183 V HN 0.250 nan 8.190 nan 0.000 0.447 184 L N -0.312 120.944 121.223 0.055 0.000 2.042 184 L HA -0.181 4.159 4.340 0.001 0.000 0.210 184 L C 2.415 179.417 176.870 0.219 0.000 1.076 184 L CA 1.932 56.852 54.840 0.132 0.000 0.749 184 L CB -0.717 41.256 42.059 -0.143 0.000 0.893 184 L HN 0.268 nan 8.230 nan 0.000 0.432 185 K N -1.032 119.432 120.400 0.107 0.000 2.057 185 K HA -0.085 4.236 4.320 0.001 0.000 0.206 185 K C 2.172 178.861 176.600 0.149 0.000 1.050 185 K CA 1.227 57.585 56.287 0.118 0.000 0.935 185 K CB -0.335 32.195 32.500 0.049 0.000 0.715 185 K HN 0.317 nan 8.250 nan 0.000 0.439 186 A N 1.599 124.509 122.820 0.149 0.000 1.902 186 A HA -0.111 4.210 4.320 0.001 0.000 0.217 186 A C 2.382 180.176 177.584 0.349 0.000 1.181 186 A CA 1.786 53.928 52.037 0.174 0.000 0.623 186 A CB -0.694 18.321 19.000 0.026 0.000 0.818 186 A HN 0.325 nan 8.150 nan 0.000 0.443 187 A N 0.002 123.080 122.820 0.430 0.000 1.883 187 A HA 0.100 4.420 4.320 0.001 0.000 0.217 187 A C 2.526 180.210 177.584 0.166 0.000 1.186 187 A CA 2.306 54.515 52.037 0.287 0.000 0.624 187 A CB -1.090 18.042 19.000 0.220 0.000 0.822 187 A HN 1.087 nan 8.150 nan 0.000 0.444 188 A N -0.242 122.705 122.820 0.211 0.000 1.902 188 A HA -0.175 4.145 4.320 0.001 0.000 0.217 188 A C 2.244 179.878 177.584 0.085 0.000 1.181 188 A CA 1.608 53.724 52.037 0.132 0.000 0.623 188 A CB -0.475 18.669 19.000 0.241 0.000 0.818 188 A HN 0.572 nan 8.150 nan 0.000 0.443 189 R N -0.488 120.075 120.500 0.106 0.000 2.081 189 R HA -0.065 4.275 4.340 0.001 0.000 0.235 189 R C 2.475 178.808 176.300 0.054 0.000 1.131 189 R CA 1.233 57.375 56.100 0.070 0.000 0.960 189 R CB -0.491 29.849 30.300 0.067 0.000 0.856 189 R HN 0.506 nan 8.270 nan 0.000 0.436 190 A N 0.397 123.272 122.820 0.091 0.000 1.902 190 A HA -0.185 4.135 4.320 0.001 0.000 0.217 190 A C 2.200 179.783 177.584 -0.002 0.000 1.181 190 A CA 1.830 53.906 52.037 0.066 0.000 0.623 190 A CB -0.617 18.475 19.000 0.153 0.000 0.818 190 A HN 0.316 nan 8.150 nan 0.000 0.443 191 S N -0.591 115.098 115.700 -0.018 0.000 2.368 191 S HA -0.079 4.391 4.470 0.001 0.000 0.225 191 S C 1.936 176.498 174.600 -0.064 0.000 1.030 191 S CA 1.339 59.495 58.200 -0.073 0.000 0.999 191 S CB -0.468 62.664 63.200 -0.113 0.000 0.844 191 S HN 0.490 nan 8.310 nan 0.000 0.459 192 L N 0.849 122.051 121.223 -0.034 0.000 2.083 192 L HA -0.059 4.282 4.340 0.001 0.000 0.209 192 L C 2.885 179.736 176.870 -0.031 0.000 1.083 192 L CA 1.276 56.099 54.840 -0.029 0.000 0.752 192 L CB -0.577 41.479 42.059 -0.005 0.000 0.899 192 L HN 0.436 nan 8.230 nan 0.000 0.433 193 A N -0.581 122.223 122.820 -0.026 0.000 1.968 193 A HA -0.152 4.169 4.320 0.001 0.000 0.217 193 A C 2.287 179.840 177.584 -0.052 0.000 1.169 193 A CA 1.947 53.965 52.037 -0.031 0.000 0.638 193 A CB -0.556 18.430 19.000 -0.023 0.000 0.812 193 A HN 0.505 nan 8.150 nan 0.000 0.446 194 T N -6.002 108.512 114.554 -0.067 0.000 2.990 194 T HA 0.425 4.776 4.350 0.001 0.000 0.249 194 T C 1.497 176.140 174.700 -0.095 0.000 1.039 194 T CA 1.116 63.163 62.100 -0.088 0.000 1.036 194 T CB 0.403 69.207 68.868 -0.108 0.000 0.994 194 T HN 1.626 nan 8.240 nan 0.000 0.489 195 G N 0.966 109.709 108.800 -0.097 0.000 2.199 195 G HA2 -0.238 3.722 3.960 0.001 0.000 0.254 195 G HA3 -0.238 3.722 3.960 0.001 0.000 0.254 195 G C 0.128 174.936 174.900 -0.153 0.000 0.982 195 G CA 0.013 45.047 45.100 -0.110 0.000 0.632 195 G HN 0.700 nan 8.290 nan 0.000 0.529 196 V N 3.789 123.605 119.914 -0.165 0.000 2.715 196 V HA 0.416 4.536 4.120 0.001 0.000 0.299 196 V C -0.827 175.104 176.094 -0.272 0.000 1.054 196 V CA -0.750 61.420 62.300 -0.217 0.000 1.077 196 V CB 1.381 33.092 31.823 -0.187 0.000 0.972 196 V HN 0.282 nan 8.190 nan 0.000 0.484 197 P HA 0.265 nan 4.420 nan 0.000 0.274 197 P C -1.000 176.097 177.300 -0.337 0.000 1.256 197 P CA -0.189 62.606 63.100 -0.509 0.000 0.795 197 P CB 1.042 31.982 31.700 -1.268 0.000 1.038 198 V N 0.145 119.931 119.914 -0.214 0.000 2.628 198 V HA 0.568 4.688 4.120 0.001 0.000 0.306 198 V C 0.427 176.565 176.094 0.074 0.000 1.045 198 V CA -0.218 62.004 62.300 -0.131 0.000 0.905 198 V CB 1.644 33.289 31.823 -0.295 0.000 0.997 198 V HN 0.675 nan 8.190 nan 0.000 0.436 199 T N 2.457 117.070 114.554 0.099 0.000 2.900 199 T HA 0.734 5.084 4.350 0.001 0.000 0.295 199 T C -0.482 174.308 174.700 0.149 0.000 1.044 199 T CA -0.074 62.128 62.100 0.170 0.000 0.995 199 T CB 1.708 70.691 68.868 0.192 0.000 1.072 199 T HN 1.074 nan 8.240 nan 0.000 0.473 200 T N 0.794 115.438 114.554 0.150 0.000 2.916 200 T HA 0.584 4.935 4.350 0.001 0.000 0.292 200 T C -0.939 173.823 174.700 0.103 0.000 1.064 200 T CA -0.741 61.470 62.100 0.186 0.000 1.011 200 T CB 1.416 70.416 68.868 0.219 0.000 1.152 200 T HN 0.768 nan 8.240 nan 0.000 0.510 201 H N 0.595 119.737 119.070 0.120 0.000 2.467 201 H HA 0.657 5.213 4.556 0.001 0.000 0.326 201 H C -0.059 175.359 175.328 0.150 0.000 1.094 201 H CA -0.122 55.993 56.048 0.112 0.000 1.253 201 H CB 1.181 31.250 29.762 0.511 0.000 1.439 201 H HN 1.043 nan 8.280 nan 0.000 0.479 202 T N 1.655 116.168 114.554 -0.067 0.000 2.883 202 T HA 0.634 4.985 4.350 0.001 0.000 0.296 202 T C -0.501 174.210 174.700 0.018 0.000 1.117 202 T CA -0.830 61.310 62.100 0.067 0.000 1.006 202 T CB 1.462 70.354 68.868 0.041 0.000 1.191 202 T HN 0.708 nan 8.240 nan 0.000 0.508 203 A N 1.030 123.881 122.820 0.052 0.000 2.910 203 A HA 0.717 5.038 4.320 0.001 0.000 0.316 203 A C 1.652 179.217 177.584 -0.031 0.000 1.493 203 A CA -0.166 51.880 52.037 0.014 0.000 1.150 203 A CB -0.938 18.055 19.000 -0.011 0.000 1.159 203 A HN 1.338 nan 8.150 nan 0.000 0.526 204 A N 1.763 124.573 122.820 -0.017 0.000 1.917 204 A HA -0.183 4.138 4.320 0.001 0.000 0.219 204 A C 2.471 179.950 177.584 -0.174 0.000 1.182 204 A CA 2.418 54.438 52.037 -0.029 0.000 0.633 204 A CB -0.852 18.183 19.000 0.059 0.000 0.819 204 A HN 1.559 nan 8.150 nan 0.000 0.448 205 S N -0.774 114.859 115.700 -0.112 0.000 2.500 205 S HA -0.169 4.302 4.470 0.001 0.000 0.239 205 S C 1.468 175.954 174.600 -0.190 0.000 0.989 205 S CA 1.369 59.486 58.200 -0.138 0.000 0.951 205 S CB -0.389 62.769 63.200 -0.070 0.000 0.759 205 S HN 0.718 nan 8.310 nan 0.000 0.523 206 Q N 0.227 119.913 119.800 -0.189 0.000 2.247 206 Q HA 0.338 4.679 4.340 0.001 0.000 0.204 206 Q C -0.182 175.666 176.000 -0.253 0.000 0.872 206 Q CA -0.322 55.375 55.803 -0.177 0.000 0.951 206 Q CB 0.156 28.828 28.738 -0.109 0.000 1.099 206 Q HN 0.491 nan 8.270 nan 0.000 0.501 207 R N 0.515 120.730 120.500 -0.474 0.000 3.651 207 R HA -0.189 4.151 4.340 0.001 0.000 0.292 207 R C -0.279 175.916 176.300 -0.175 0.000 1.161 207 R CA 0.506 56.187 56.100 -0.698 0.000 0.787 207 R CB -1.537 28.442 30.300 -0.535 0.000 1.249 207 R HN 0.302 nan 8.270 nan 0.000 0.476 208 D N -0.234 120.114 120.400 -0.087 0.000 2.228 208 D HA -0.114 4.526 4.640 0.001 0.000 0.203 208 D C 2.024 178.347 176.300 0.037 0.000 0.988 208 D CA 1.683 55.676 54.000 -0.013 0.000 0.864 208 D CB -0.331 40.473 40.800 0.006 0.000 0.928 208 D HN 0.609 nan 8.370 nan 0.000 0.469 209 G N 0.760 109.659 108.800 0.166 0.000 2.475 209 G HA2 -0.317 3.644 3.960 0.001 0.000 0.220 209 G HA3 -0.317 3.644 3.960 0.001 0.000 0.220 209 G C 1.506 176.384 174.900 -0.037 0.000 1.125 209 G CA 0.805 45.947 45.100 0.070 0.000 0.755 209 G HN 0.328 nan 8.290 nan 0.000 0.565 210 E N -0.394 119.855 120.200 0.082 0.000 2.051 210 E HA -0.165 4.185 4.350 0.001 0.000 0.192 210 E C 2.452 179.019 176.600 -0.055 0.000 0.991 210 E CA 1.096 57.498 56.400 0.003 0.000 0.799 210 E CB -0.185 29.556 29.700 0.069 0.000 0.748 210 E HN 0.601 nan 8.360 nan 0.000 0.449 211 Q N 0.797 120.563 119.800 -0.057 0.000 2.119 211 Q HA -0.227 4.114 4.340 0.001 0.000 0.201 211 Q C 2.127 178.022 176.000 -0.175 0.000 0.972 211 Q CA 1.308 57.056 55.803 -0.091 0.000 0.847 211 Q CB 0.120 28.810 28.738 -0.080 0.000 0.903 211 Q HN 0.319 nan 8.270 nan 0.000 0.433 212 Q N -0.099 119.573 119.800 -0.214 0.000 2.061 212 Q HA -0.201 4.140 4.340 0.001 0.000 0.204 212 Q C 2.143 177.838 176.000 -0.508 0.000 0.984 212 Q CA 1.559 57.102 55.803 -0.434 0.000 0.846 212 Q CB -0.288 28.290 28.738 -0.266 0.000 0.902 212 Q HN 0.485 nan 8.270 nan 0.000 0.421 213 A N 1.236 123.922 122.820 -0.223 0.000 1.908 213 A HA -0.173 4.148 4.320 0.001 0.000 0.218 213 A C 2.343 179.965 177.584 0.064 0.000 1.181 213 A CA 1.742 53.751 52.037 -0.047 0.000 0.627 213 A CB -0.898 17.898 19.000 -0.341 0.000 0.818 213 A HN 0.422 nan 8.150 nan 0.000 0.445 214 A N -0.079 122.722 122.820 -0.032 0.000 1.908 214 A HA -0.114 4.207 4.320 0.001 0.000 0.218 214 A C 2.129 179.708 177.584 -0.008 0.000 1.181 214 A CA 1.635 53.673 52.037 0.001 0.000 0.627 214 A CB -0.631 18.354 19.000 -0.024 0.000 0.818 214 A HN 0.517 nan 8.150 nan 0.000 0.445 215 I N -1.719 118.782 120.570 -0.115 0.000 2.252 215 I HA -0.238 3.933 4.170 0.001 0.000 0.245 215 I C 2.328 178.446 176.117 0.001 0.000 1.102 215 I CA 1.319 62.547 61.300 -0.121 0.000 1.385 215 I CB -0.440 37.409 38.000 -0.253 0.000 1.064 215 I HN 0.362 nan 8.210 nan 0.000 0.414 216 F N 1.117 121.109 119.950 0.069 0.000 2.102 216 F HA -0.221 4.307 4.527 0.001 0.000 0.298 216 F C 2.582 178.434 175.800 0.087 0.000 1.105 216 F CA 1.117 59.171 58.000 0.091 0.000 1.239 216 F CB -0.339 38.749 39.000 0.147 0.000 0.991 216 F HN 0.057 nan 8.300 nan 0.000 0.474 217 E N 0.092 120.472 120.200 0.299 0.000 2.153 217 E HA -0.193 4.158 4.350 0.001 0.000 0.194 217 E C 2.214 178.887 176.600 0.121 0.000 0.988 217 E CA 1.434 57.948 56.400 0.190 0.000 0.811 217 E CB -0.231 29.575 29.700 0.176 0.000 0.746 217 E HN 0.359 nan 8.360 nan 0.000 0.466 218 S N 0.803 116.564 115.700 0.101 0.000 2.442 218 S HA -0.121 4.350 4.470 0.001 0.000 0.236 218 S C 1.562 176.205 174.600 0.071 0.000 1.007 218 S CA 0.814 59.054 58.200 0.067 0.000 0.965 218 S CB 0.040 63.265 63.200 0.042 0.000 0.773 218 S HN 0.118 nan 8.310 nan 0.000 0.504 219 E N 0.644 120.905 120.200 0.101 0.000 2.474 219 E HA 0.231 4.581 4.350 0.001 0.000 0.195 219 E C 1.254 177.902 176.600 0.079 0.000 1.039 219 E CA 0.488 56.944 56.400 0.093 0.000 0.881 219 E CB 0.174 29.951 29.700 0.129 0.000 0.970 219 E HN 0.703 nan 8.360 nan 0.000 0.486 220 G N 1.937 110.785 108.800 0.079 0.000 2.147 220 G HA2 -0.283 3.678 3.960 0.001 0.000 0.244 220 G HA3 -0.283 3.678 3.960 0.001 0.000 0.244 220 G C 0.038 174.965 174.900 0.046 0.000 1.005 220 G CA 0.472 45.604 45.100 0.055 0.000 0.713 220 G HN 0.246 nan 8.290 nan 0.000 0.515 221 L N 1.309 122.574 121.223 0.070 0.000 2.371 221 L HA 0.751 5.092 4.340 0.001 0.000 0.272 221 L C 0.886 177.754 176.870 -0.003 0.000 1.124 221 L CA 0.166 55.021 54.840 0.024 0.000 0.816 221 L CB 1.538 43.611 42.059 0.023 0.000 1.129 221 L HN 0.276 nan 8.230 nan 0.000 0.448 222 S N 4.798 120.466 115.700 -0.053 0.000 2.548 222 S HA 0.335 4.806 4.470 0.001 0.000 0.277 222 S C -1.679 172.813 174.600 -0.179 0.000 1.315 222 S CA -1.038 57.105 58.200 -0.096 0.000 1.050 222 S CB 0.863 64.010 63.200 -0.089 0.000 0.918 222 S HN 0.621 nan 8.310 nan 0.000 0.497 223 P HA -0.093 nan 4.420 nan 0.000 0.219 223 P C 1.397 178.428 177.300 -0.449 0.000 1.146 223 P CA 1.074 63.691 63.100 -0.804 0.000 0.808 223 P CB -0.097 30.758 31.700 -1.408 0.000 0.779 224 S N -1.502 114.051 115.700 -0.245 0.000 2.547 224 S HA -0.039 4.431 4.470 0.001 0.000 0.235 224 S C 1.651 176.260 174.600 0.014 0.000 0.980 224 S CA 0.579 58.720 58.200 -0.097 0.000 0.941 224 S CB -0.638 62.522 63.200 -0.067 0.000 0.763 224 S HN 0.022 nan 8.310 nan 0.000 0.532 225 R N 0.765 121.248 120.500 -0.029 0.000 2.359 225 R HA 0.388 4.729 4.340 0.001 0.000 0.231 225 R C -0.601 175.759 176.300 0.098 0.000 0.913 225 R CA 0.069 56.162 56.100 -0.011 0.000 1.075 225 R CB 0.332 30.562 30.300 -0.117 0.000 1.087 225 R HN 0.345 nan 8.270 nan 0.000 0.515 226 V N 0.404 120.416 119.914 0.163 0.000 2.588 226 V HA 0.245 4.366 4.120 0.001 0.000 0.304 226 V C -0.429 175.795 176.094 0.217 0.000 1.042 226 V CA -1.232 61.183 62.300 0.192 0.000 0.877 226 V CB 2.483 34.384 31.823 0.130 0.000 0.996 226 V HN 0.107 nan 8.190 nan 0.000 0.425 227 C N 6.975 126.367 119.300 0.153 0.000 2.281 227 C HA 0.601 5.062 4.460 0.001 0.000 0.323 227 C C -0.203 174.796 174.990 0.016 0.000 1.270 227 C CA -0.599 58.371 59.018 -0.080 0.000 1.559 227 C CB -0.485 27.031 27.740 -0.373 0.000 2.239 227 C HN 0.705 nan 8.230 nan 0.000 0.488 228 I N 6.790 127.350 120.570 -0.016 0.000 2.291 228 I HA 0.299 4.469 4.170 0.001 0.000 0.292 228 I C 1.200 177.267 176.117 -0.083 0.000 1.064 228 I CA 0.499 61.783 61.300 -0.026 0.000 1.269 228 I CB 0.120 38.067 38.000 -0.090 0.000 1.418 228 I HN 0.905 nan 8.210 nan 0.000 0.485 229 G N 4.519 113.250 108.800 -0.115 0.000 2.547 229 G HA2 0.275 4.236 3.960 0.001 0.000 0.291 229 G HA3 0.275 4.236 3.960 0.001 0.000 0.291 229 G C 0.303 175.000 174.900 -0.340 0.000 1.211 229 G CA -0.175 44.761 45.100 -0.273 0.000 0.950 229 G HN 0.768 nan 8.290 nan 0.000 0.504 230 H N -1.082 117.758 119.070 -0.384 0.000 2.822 230 H HA -0.159 4.398 4.556 0.001 0.000 0.295 230 H C 1.981 177.162 175.328 -0.245 0.000 1.151 230 H CA 0.503 56.227 56.048 -0.539 0.000 1.151 230 H CB -1.772 27.618 29.762 -0.620 0.000 1.343 230 H HN 0.338 nan 8.280 nan 0.000 0.382 231 S N 0.098 115.763 115.700 -0.058 0.000 2.474 231 S HA -0.098 4.372 4.470 0.001 0.000 0.235 231 S C 1.689 176.314 174.600 0.041 0.000 0.997 231 S CA 1.006 59.215 58.200 0.016 0.000 0.949 231 S CB 0.062 63.247 63.200 -0.025 0.000 0.766 231 S HN 0.710 nan 8.310 nan 0.000 0.517 232 D N 0.679 121.092 120.400 0.021 0.000 2.349 232 D HA -0.044 4.596 4.640 0.001 0.000 0.224 232 D C 0.263 176.606 176.300 0.071 0.000 1.029 232 D CA 0.302 54.335 54.000 0.055 0.000 0.879 232 D CB -0.225 40.617 40.800 0.070 0.000 0.906 232 D HN 0.140 nan 8.370 nan 0.000 0.528 233 D N 0.282 120.722 120.400 0.065 0.000 2.371 233 D HA -0.026 4.615 4.640 0.001 0.000 0.221 233 D C 0.508 176.838 176.300 0.051 0.000 0.986 233 D CA 0.722 54.766 54.000 0.072 0.000 0.899 233 D CB 0.298 41.140 40.800 0.070 0.000 0.902 233 D HN 0.194 nan 8.370 nan 0.000 0.530 234 T N -0.842 113.748 114.554 0.060 0.000 2.912 234 T HA 0.199 4.549 4.350 0.001 0.000 0.288 234 T C -0.224 174.514 174.700 0.062 0.000 1.030 234 T CA -0.783 61.346 62.100 0.048 0.000 1.020 234 T CB 1.505 70.401 68.868 0.047 0.000 1.056 234 T HN -0.296 nan 8.240 nan 0.000 0.480 235 D N 1.602 122.029 120.400 0.046 0.000 2.363 235 D HA 0.116 4.756 4.640 0.001 0.000 0.214 235 D C -0.212 176.122 176.300 0.057 0.000 1.093 235 D CA -0.016 54.013 54.000 0.048 0.000 0.837 235 D CB 0.375 41.195 40.800 0.032 0.000 0.948 235 D HN 0.505 nan 8.370 nan 0.000 0.507 236 D N 1.550 121.994 120.400 0.074 0.000 2.470 236 D HA -0.016 4.624 4.640 0.001 0.000 0.226 236 D C 1.297 177.679 176.300 0.136 0.000 1.196 236 D CA -0.323 53.733 54.000 0.094 0.000 0.979 236 D CB 0.471 41.315 40.800 0.074 0.000 1.059 236 D HN -0.041 nan 8.370 nan 0.000 0.515 237 L N 2.842 124.118 121.223 0.088 0.000 2.191 237 L HA -0.133 4.208 4.340 0.001 0.000 0.212 237 L C 1.992 178.900 176.870 0.062 0.000 1.103 237 L CA 1.445 56.327 54.840 0.069 0.000 0.769 237 L CB -0.301 41.793 42.059 0.058 0.000 0.908 237 L HN 0.209 nan 8.230 nan 0.000 0.438 238 S N -1.274 114.472 115.700 0.078 0.000 2.356 238 S HA -0.274 4.196 4.470 0.001 0.000 0.223 238 S C 1.841 176.487 174.600 0.077 0.000 1.032 238 S CA 1.648 59.890 58.200 0.070 0.000 1.005 238 S CB -0.731 62.512 63.200 0.071 0.000 0.867 238 S HN 0.710 nan 8.310 nan 0.000 0.449 239 Y N 2.310 122.599 120.300 -0.018 0.000 2.181 239 Y HA -0.128 4.422 4.550 0.001 0.000 0.288 239 Y C 1.860 177.729 175.900 -0.052 0.000 1.146 239 Y CA 1.358 59.438 58.100 -0.033 0.000 1.164 239 Y CB -0.375 38.065 38.460 -0.033 0.000 0.982 239 Y HN 0.125 nan 8.280 nan 0.000 0.515 240 L N 0.092 121.162 121.223 -0.255 0.000 2.027 240 L HA -0.185 4.155 4.340 0.001 0.000 0.206 240 L C 2.720 179.402 176.870 -0.312 0.000 1.074 240 L CA 1.920 56.536 54.840 -0.373 0.000 0.745 240 L CB -1.251 40.711 42.059 -0.162 0.000 0.898 240 L HN 0.412 nan 8.230 nan 0.000 0.433 241 T N -2.363 112.078 114.554 -0.188 0.000 2.867 241 T HA -0.089 4.262 4.350 0.001 0.000 0.268 241 T C 1.936 176.486 174.700 -0.250 0.000 1.057 241 T CA 0.901 62.863 62.100 -0.230 0.000 1.136 241 T CB -0.324 68.554 68.868 0.016 0.000 0.874 241 T HN 0.302 nan 8.240 nan 0.000 0.466 242 A N 1.399 124.130 122.820 -0.148 0.000 1.930 242 A HA 0.225 4.546 4.320 0.001 0.000 0.217 242 A C 2.410 179.919 177.584 -0.125 0.000 1.175 242 A CA 1.026 53.007 52.037 -0.093 0.000 0.627 242 A CB -0.808 18.172 19.000 -0.032 0.000 0.815 242 A HN 0.535 nan 8.150 nan 0.000 0.443 243 L N -0.949 120.141 121.223 -0.223 0.000 2.072 243 L HA -0.144 4.197 4.340 0.001 0.000 0.205 243 L C 3.095 179.912 176.870 -0.089 0.000 1.079 243 L CA 0.952 55.696 54.840 -0.160 0.000 0.752 243 L CB -0.478 41.369 42.059 -0.354 0.000 0.906 243 L HN 0.432 nan 8.230 nan 0.000 0.436 244 A N 0.055 122.672 122.820 -0.338 0.000 1.933 244 A HA -0.184 4.137 4.320 0.001 0.000 0.218 244 A C 2.508 179.827 177.584 -0.442 0.000 1.175 244 A CA 1.652 53.370 52.037 -0.532 0.000 0.628 244 A CB -0.688 17.653 19.000 -1.099 0.000 0.814 244 A HN 0.403 nan 8.150 nan 0.000 0.444 245 A N -0.174 122.422 122.820 -0.374 0.000 1.978 245 A HA -0.173 4.148 4.320 0.001 0.000 0.220 245 A C 2.148 179.748 177.584 0.028 0.000 1.170 245 A CA 1.575 53.605 52.037 -0.011 0.000 0.636 245 A CB -0.404 18.629 19.000 0.055 0.000 0.810 245 A HN 0.562 nan 8.150 nan 0.000 0.448 246 R N -1.718 118.793 120.500 0.018 0.000 2.299 246 R HA 0.214 4.555 4.340 0.001 0.000 0.197 246 R C 1.278 177.526 176.300 -0.086 0.000 0.971 246 R CA 0.575 56.700 56.100 0.042 0.000 1.030 246 R CB -0.011 30.398 30.300 0.182 0.000 0.932 246 R HN 0.692 nan 8.270 nan 0.000 0.477 247 G N -0.628 108.113 108.800 -0.098 0.000 2.179 247 G HA2 -0.277 3.684 3.960 0.001 0.000 0.220 247 G HA3 -0.277 3.684 3.960 0.001 0.000 0.220 247 G C -0.171 174.565 174.900 -0.274 0.000 0.990 247 G CA -0.564 44.430 45.100 -0.177 0.000 0.646 247 G HN 0.234 nan 8.290 nan 0.000 0.517 248 Y N -0.242 120.009 120.300 -0.081 0.000 2.357 248 Y HA 0.574 5.124 4.550 0.001 0.000 0.340 248 Y C 1.162 176.983 175.900 -0.131 0.000 1.260 248 Y CA -0.434 57.614 58.100 -0.087 0.000 1.425 248 Y CB 0.579 38.982 38.460 -0.096 0.000 1.326 248 Y HN 0.133 nan 8.280 nan 0.000 0.580 249 L N 3.369 124.604 121.223 0.020 0.000 2.334 249 L HA 0.283 4.624 4.340 0.001 0.000 0.277 249 L C -0.688 176.109 176.870 -0.121 0.000 1.075 249 L CA -0.160 54.602 54.840 -0.129 0.000 0.804 249 L CB 0.648 42.501 42.059 -0.344 0.000 1.174 249 L HN 0.375 nan 8.230 nan 0.000 0.438 250 I N 2.299 122.782 120.570 -0.145 0.000 2.355 250 I HA 0.314 4.485 4.170 0.001 0.000 0.288 250 I C 0.649 176.683 176.117 -0.137 0.000 0.999 250 I CA -0.368 60.850 61.300 -0.137 0.000 1.163 250 I CB 0.992 38.913 38.000 -0.132 0.000 1.316 250 I HN 0.612 nan 8.210 nan 0.000 0.454 251 G N 7.441 116.158 108.800 -0.139 0.000 2.393 251 G HA2 0.503 4.464 3.960 0.001 0.000 0.311 251 G HA3 0.503 4.464 3.960 0.001 0.000 0.311 251 G C -0.112 174.727 174.900 -0.101 0.000 1.067 251 G CA -0.405 44.617 45.100 -0.131 0.000 1.000 251 G HN 0.557 nan 8.290 nan 0.000 0.422 252 L N 3.403 124.591 121.223 -0.059 0.000 2.407 252 L HA 0.249 4.590 4.340 0.001 0.000 0.261 252 L C 0.108 176.980 176.870 0.004 0.000 1.108 252 L CA -0.569 54.261 54.840 -0.015 0.000 0.995 252 L CB 0.702 42.774 42.059 0.021 0.000 1.349 252 L HN 0.675 nan 8.230 nan 0.000 0.423 253 D N -2.433 117.938 120.400 -0.049 0.000 2.440 253 D HA -0.016 4.624 4.640 0.001 0.000 0.216 253 D C 0.919 177.225 176.300 0.010 0.000 1.150 253 D CA 0.006 53.987 54.000 -0.032 0.000 0.832 253 D CB 0.070 40.779 40.800 -0.152 0.000 0.992 253 D HN 0.411 nan 8.370 nan 0.000 0.502 254 H N 0.315 119.314 119.070 -0.119 0.000 2.512 254 H HA 0.204 4.761 4.556 0.001 0.000 0.276 254 H C 1.159 176.470 175.328 -0.028 0.000 1.126 254 H CA -0.522 55.326 56.048 -0.334 0.000 1.060 254 H CB 0.723 30.227 29.762 -0.429 0.000 1.646 254 H HN -0.028 nan 8.280 nan 0.000 0.571 255 I N 1.912 122.612 120.570 0.217 0.000 2.091 255 I HA -0.219 3.951 4.170 0.001 0.000 0.240 255 I C -0.642 175.629 176.117 0.256 0.000 1.046 255 I CA 1.419 62.887 61.300 0.280 0.000 1.306 255 I CB -2.232 35.975 38.000 0.345 0.000 1.018 255 I HN 0.304 nan 8.210 nan 0.000 0.404 256 P HA -0.064 nan 4.420 nan 0.000 0.249 256 P C 0.203 177.482 177.300 -0.036 0.000 1.229 256 P CA 0.614 63.470 63.100 -0.408 0.000 0.788 256 P CB -0.512 30.558 31.700 -1.051 0.000 1.072 257 H N 0.438 119.494 119.070 -0.024 0.000 3.015 257 H HA 0.360 4.917 4.556 0.001 0.000 0.268 257 H C 0.078 175.397 175.328 -0.014 0.000 1.113 257 H CA 0.129 56.158 56.048 -0.030 0.000 1.479 257 H CB 0.474 30.115 29.762 -0.202 0.000 1.493 257 H HN 0.039 nan 8.280 nan 0.000 0.486 258 S N 1.909 117.649 115.700 0.066 0.000 2.535 258 S HA 0.433 4.904 4.470 0.001 0.000 0.272 258 S C -0.131 174.489 174.600 0.034 0.000 1.149 258 S CA -0.302 57.934 58.200 0.060 0.000 0.888 258 S CB 1.292 64.543 63.200 0.085 0.000 1.110 258 S HN 0.688 nan 8.310 nan 0.000 0.463 259 A N 4.301 127.141 122.820 0.033 0.000 2.423 259 A HA 0.456 4.777 4.320 0.001 0.000 0.246 259 A C 0.391 177.993 177.584 0.029 0.000 1.278 259 A CA -0.283 51.770 52.037 0.027 0.000 0.903 259 A CB -0.462 18.554 19.000 0.027 0.000 0.997 259 A HN 0.778 nan 8.150 nan 0.000 0.510 260 I N 0.538 121.129 120.570 0.035 0.000 2.662 260 I HA 0.214 4.385 4.170 0.001 0.000 0.285 260 I C 1.515 177.652 176.117 0.033 0.000 1.161 260 I CA 1.605 62.924 61.300 0.032 0.000 1.415 260 I CB 0.429 38.450 38.000 0.034 0.000 1.385 260 I HN 0.490 nan 8.210 nan 0.000 0.552 261 G N 5.400 114.215 108.800 0.027 0.000 2.195 261 G HA2 -0.226 3.734 3.960 0.001 0.000 0.224 261 G HA3 -0.226 3.734 3.960 0.001 0.000 0.224 261 G C 0.318 175.231 174.900 0.022 0.000 0.990 261 G CA -0.179 44.936 45.100 0.025 0.000 0.639 261 G HN 0.546 nan 8.290 nan 0.000 0.514 262 L N 0.123 121.358 121.223 0.021 0.000 3.347 262 L HA 0.374 4.714 4.340 0.001 0.000 0.306 262 L C 1.543 178.423 176.870 0.017 0.000 1.301 262 L CA -0.235 54.616 54.840 0.018 0.000 0.985 262 L CB 0.617 42.688 42.059 0.020 0.000 1.400 262 L HN 0.020 nan 8.230 nan 0.000 0.601 263 E N 1.069 121.279 120.200 0.016 0.000 2.171 263 E HA -0.255 4.096 4.350 0.001 0.000 0.197 263 E C 1.617 178.224 176.600 0.013 0.000 0.997 263 E CA 1.814 58.223 56.400 0.015 0.000 0.810 263 E CB -0.162 29.547 29.700 0.013 0.000 0.738 263 E HN 0.593 nan 8.360 nan 0.000 0.467 264 D N -0.027 120.379 120.400 0.010 0.000 2.350 264 D HA -0.151 4.489 4.640 0.001 0.000 0.216 264 D C 0.285 176.588 176.300 0.005 0.000 0.968 264 D CA 0.444 54.448 54.000 0.007 0.000 0.894 264 D CB -0.227 40.577 40.800 0.005 0.000 0.909 264 D HN 0.012 nan 8.370 nan 0.000 0.520 265 N N 0.581 119.287 118.700 0.009 0.000 2.589 265 N HA 0.269 5.009 4.740 0.001 0.000 0.232 265 N C 0.690 176.210 175.510 0.017 0.000 1.015 265 N CA -0.199 52.856 53.050 0.009 0.000 0.931 265 N CB 1.369 39.863 38.487 0.011 0.000 1.150 265 N HN 0.006 nan 8.380 nan 0.000 0.512 266 A N 2.763 125.589 122.820 0.011 0.000 1.883 266 A HA -0.192 4.129 4.320 0.001 0.000 0.217 266 A C 2.160 179.770 177.584 0.043 0.000 1.186 266 A CA 2.260 54.309 52.037 0.019 0.000 0.624 266 A CB -0.785 18.219 19.000 0.006 0.000 0.822 266 A HN 0.737 nan 8.150 nan 0.000 0.444 267 S N 0.189 115.908 115.700 0.031 0.000 2.368 267 S HA 0.021 4.491 4.470 0.001 0.000 0.225 267 S C 2.124 176.857 174.600 0.221 0.000 1.030 267 S CA 1.449 59.700 58.200 0.084 0.000 0.999 267 S CB -0.767 62.376 63.200 -0.096 0.000 0.844 267 S HN 0.941 nan 8.310 nan 0.000 0.459 268 A N 1.742 124.639 122.820 0.129 0.000 1.898 268 A HA 0.046 4.366 4.320 0.001 0.000 0.216 268 A C 2.461 180.089 177.584 0.073 0.000 1.181 268 A CA 1.740 53.840 52.037 0.106 0.000 0.620 268 A CB -1.194 17.838 19.000 0.053 0.000 0.819 268 A HN 0.557 nan 8.150 nan 0.000 0.442 269 S N 0.101 115.838 115.700 0.061 0.000 2.368 269 S HA -0.069 4.402 4.470 0.001 0.000 0.225 269 S C 2.306 176.938 174.600 0.053 0.000 1.030 269 S CA 1.222 59.449 58.200 0.046 0.000 0.999 269 S CB -0.496 62.725 63.200 0.036 0.000 0.844 269 S HN 0.799 nan 8.310 nan 0.000 0.459 270 A N 1.039 123.907 122.820 0.079 0.000 1.933 270 A HA -0.042 4.279 4.320 0.001 0.000 0.218 270 A C 2.140 179.763 177.584 0.064 0.000 1.175 270 A CA 1.375 53.463 52.037 0.085 0.000 0.628 270 A CB -0.573 18.506 19.000 0.131 0.000 0.814 270 A HN 0.422 nan 8.150 nan 0.000 0.444 271 L N -0.752 120.501 121.223 0.051 0.000 2.068 271 L HA 0.084 4.425 4.340 0.001 0.000 0.204 271 L C 2.056 178.904 176.870 -0.036 0.000 1.076 271 L CA 1.575 56.377 54.840 -0.065 0.000 0.753 271 L CB -0.229 41.684 42.059 -0.244 0.000 0.910 271 L HN 0.358 nan 8.230 nan 0.000 0.439 272 L N -0.706 120.509 121.223 -0.012 0.000 2.477 272 L HA 0.388 4.728 4.340 0.001 0.000 0.220 272 L C 1.178 178.063 176.870 0.025 0.000 1.106 272 L CA 0.201 55.042 54.840 0.002 0.000 0.851 272 L CB -0.951 41.101 42.059 -0.012 0.000 0.994 272 L HN 0.432 nan 8.230 nan 0.000 0.462 273 G N 1.586 110.401 108.800 0.026 0.000 2.828 273 G HA2 -0.274 3.687 3.960 0.001 0.000 0.463 273 G HA3 -0.274 3.687 3.960 0.001 0.000 0.463 273 G C 0.060 174.979 174.900 0.032 0.000 1.394 273 G CA -0.056 45.062 45.100 0.030 0.000 0.862 273 G HN 0.380 nan 8.290 nan 0.000 0.540 274 I N -2.705 117.882 120.570 0.028 0.000 4.009 274 I HA 0.520 4.691 4.170 0.001 0.000 0.331 274 I C 0.823 176.953 176.117 0.022 0.000 1.462 274 I CA -0.623 60.692 61.300 0.025 0.000 1.117 274 I CB 0.204 38.216 38.000 0.019 0.000 1.091 274 I HN 0.348 nan 8.210 nan 0.000 0.410 275 R N 1.894 122.411 120.500 0.028 0.000 2.459 275 R HA 0.462 4.803 4.340 0.001 0.000 0.281 275 R C 0.539 176.854 176.300 0.025 0.000 1.050 275 R CA -0.177 55.936 56.100 0.022 0.000 1.055 275 R CB 1.349 31.666 30.300 0.030 0.000 1.045 275 R HN 0.490 nan 8.270 nan 0.000 0.495 276 S N 2.252 117.945 115.700 -0.012 0.000 2.614 276 S HA 0.064 4.535 4.470 0.001 0.000 0.265 276 S C 1.337 175.929 174.600 -0.014 0.000 1.303 276 S CA -0.904 57.273 58.200 -0.038 0.000 1.000 276 S CB 0.506 63.608 63.200 -0.164 0.000 0.935 276 S HN 0.910 nan 8.310 nan 0.000 0.551 277 W N 0.871 122.160 121.300 -0.018 0.000 2.374 277 W HA -0.132 4.529 4.660 0.002 0.000 0.288 277 W C 1.122 177.589 176.519 -0.086 0.000 1.218 277 W CA 1.114 58.457 57.345 -0.004 0.000 1.245 277 W CB -1.183 28.318 29.460 0.069 0.000 1.126 277 W HN 0.653 nan 8.180 nan 0.000 0.545 278 Q N 1.178 120.374 119.800 -1.006 0.000 2.079 278 Q HA -0.113 4.228 4.340 0.001 0.000 0.200 278 Q C 2.365 178.152 176.000 -0.355 0.000 0.974 278 Q CA 3.193 58.341 55.803 -1.091 0.000 0.840 278 Q CB -0.913 27.174 28.738 -1.084 0.000 0.898 278 Q HN 0.137 nan 8.270 nan 0.000 0.430 279 T N 0.416 114.847 114.554 -0.205 0.000 2.746 279 T HA -0.128 4.223 4.350 0.001 0.000 0.267 279 T C 1.651 176.360 174.700 0.015 0.000 1.039 279 T CA 1.320 63.388 62.100 -0.053 0.000 1.142 279 T CB -0.111 68.736 68.868 -0.034 0.000 0.866 279 T HN 0.234 nan 8.240 nan 0.000 0.444 280 R N 0.999 121.523 120.500 0.040 0.000 2.075 280 R HA 0.100 4.441 4.340 0.001 0.000 0.232 280 R C 2.827 179.205 176.300 0.130 0.000 1.126 280 R CA 1.206 57.366 56.100 0.100 0.000 0.963 280 R CB -0.451 29.937 30.300 0.145 0.000 0.858 280 R HN 0.329 nan 8.270 nan 0.000 0.435 281 A N 1.291 124.201 122.820 0.151 0.000 1.972 281 A HA -0.112 4.209 4.320 0.001 0.000 0.219 281 A C 2.122 179.863 177.584 0.262 0.000 1.169 281 A CA 1.111 53.284 52.037 0.226 0.000 0.635 281 A CB -0.521 18.617 19.000 0.229 0.000 0.810 281 A HN 0.194 nan 8.150 nan 0.000 0.446 282 L N -0.614 120.748 121.223 0.232 0.000 2.265 282 L HA -0.139 4.202 4.340 0.001 0.000 0.215 282 L C 2.250 179.200 176.870 0.133 0.000 1.117 282 L CA 0.534 55.500 54.840 0.211 0.000 0.782 282 L CB -0.404 41.755 42.059 0.166 0.000 0.914 282 L HN 0.394 nan 8.230 nan 0.000 0.441 283 L N -0.636 120.656 121.223 0.114 0.000 2.201 283 L HA -0.195 4.146 4.340 0.001 0.000 0.212 283 L C 2.354 179.275 176.870 0.085 0.000 1.105 283 L CA 1.043 55.935 54.840 0.087 0.000 0.775 283 L CB -0.271 41.833 42.059 0.075 0.000 0.913 283 L HN 0.242 nan 8.230 nan 0.000 0.440 284 I N -0.115 120.518 120.570 0.105 0.000 2.202 284 I HA -0.315 3.855 4.170 0.001 0.000 0.242 284 I C 2.679 178.845 176.117 0.082 0.000 1.091 284 I CA 1.371 62.726 61.300 0.091 0.000 1.368 284 I CB -0.323 37.744 38.000 0.112 0.000 1.058 284 I HN 0.203 nan 8.210 nan 0.000 0.410 285 K N 1.405 121.861 120.400 0.093 0.000 2.057 285 K HA -0.201 4.119 4.320 0.001 0.000 0.207 285 K C 2.232 178.864 176.600 0.053 0.000 1.049 285 K CA 1.527 57.851 56.287 0.062 0.000 0.931 285 K CB -0.144 32.387 32.500 0.052 0.000 0.714 285 K HN 0.295 nan 8.250 nan 0.000 0.440 286 A N 1.363 124.221 122.820 0.064 0.000 1.908 286 A HA -0.158 4.163 4.320 0.001 0.000 0.218 286 A C 2.123 179.752 177.584 0.074 0.000 1.181 286 A CA 1.472 53.545 52.037 0.060 0.000 0.627 286 A CB -0.648 18.389 19.000 0.062 0.000 0.818 286 A HN 0.343 nan 8.150 nan 0.000 0.445 287 L N -0.766 120.509 121.223 0.087 0.000 2.093 287 L HA -0.137 4.204 4.340 0.001 0.000 0.208 287 L C 2.461 179.406 176.870 0.124 0.000 1.085 287 L CA 0.937 55.857 54.840 0.134 0.000 0.755 287 L CB -0.442 41.682 42.059 0.108 0.000 0.904 287 L HN 0.386 nan 8.230 nan 0.000 0.435 288 I N -0.035 120.576 120.570 0.069 0.000 2.179 288 I HA -0.308 3.863 4.170 0.001 0.000 0.242 288 I C 2.002 178.121 176.117 0.002 0.000 1.088 288 I CA 1.300 62.619 61.300 0.032 0.000 1.357 288 I CB -0.365 37.647 38.000 0.022 0.000 1.051 288 I HN 0.273 nan 8.210 nan 0.000 0.409 289 D N 0.416 120.823 120.400 0.012 0.000 2.218 289 D HA -0.165 4.475 4.640 0.001 0.000 0.204 289 D C 1.968 178.253 176.300 -0.024 0.000 0.976 289 D CA 0.956 54.952 54.000 -0.007 0.000 0.853 289 D CB -0.232 40.570 40.800 0.004 0.000 0.939 289 D HN 0.441 nan 8.370 nan 0.000 0.481 290 Q N -0.558 119.240 119.800 -0.004 0.000 2.403 290 Q HA 0.181 4.522 4.340 0.001 0.000 0.203 290 Q C 1.080 176.899 176.000 -0.303 0.000 0.932 290 Q CA 0.563 56.342 55.803 -0.040 0.000 0.945 290 Q CB 0.961 29.787 28.738 0.146 0.000 1.045 290 Q HN 0.329 nan 8.270 nan 0.000 0.511 291 G N 0.790 109.421 108.800 -0.281 0.000 2.131 291 G HA2 -0.268 3.693 3.960 0.001 0.000 0.223 291 G HA3 -0.268 3.693 3.960 0.001 0.000 0.223 291 G C -0.028 174.578 174.900 -0.490 0.000 0.990 291 G CA -0.160 44.706 45.100 -0.390 0.000 0.671 291 G HN 0.364 nan 8.290 nan 0.000 0.521 292 Y N 0.420 120.709 120.300 -0.017 0.000 2.708 292 Y HA 0.350 4.900 4.550 0.001 0.000 0.287 292 Y C 2.481 178.365 175.900 -0.028 0.000 1.145 292 Y CA 0.235 58.321 58.100 -0.023 0.000 1.249 292 Y CB -0.379 38.066 38.460 -0.024 0.000 1.152 292 Y HN 0.501 nan 8.280 nan 0.000 0.532 293 M N -1.157 118.478 119.600 0.057 0.000 2.260 293 M HA -0.214 4.267 4.480 0.001 0.000 0.261 293 M C 1.124 177.439 176.300 0.024 0.000 1.066 293 M CA 1.913 57.233 55.300 0.033 0.000 1.082 293 M CB -0.369 32.232 32.600 0.002 0.000 1.388 293 M HN 0.059 nan 8.290 nan 0.000 0.419 294 K N 0.488 120.907 120.400 0.031 0.000 2.486 294 K HA 0.004 4.324 4.320 0.001 0.000 0.194 294 K C 1.049 177.654 176.600 0.009 0.000 1.033 294 K CA 0.657 56.953 56.287 0.014 0.000 1.004 294 K CB 0.044 32.551 32.500 0.012 0.000 0.798 294 K HN 0.621 nan 8.250 nan 0.000 0.495 295 Q N 0.310 120.128 119.800 0.031 0.000 2.179 295 Q HA 0.252 4.593 4.340 0.001 0.000 0.213 295 Q C -0.419 175.544 176.000 -0.061 0.000 0.833 295 Q CA -0.161 55.634 55.803 -0.014 0.000 0.990 295 Q CB 0.716 29.464 28.738 0.016 0.000 1.132 295 Q HN 0.193 nan 8.270 nan 0.000 0.493 296 I N 1.289 121.831 120.570 -0.048 0.000 2.392 296 I HA 0.319 4.490 4.170 0.001 0.000 0.295 296 I C -0.611 175.445 176.117 -0.103 0.000 0.985 296 I CA -0.622 60.639 61.300 -0.064 0.000 1.221 296 I CB 1.289 39.277 38.000 -0.020 0.000 1.366 296 I HN -0.050 nan 8.210 nan 0.000 0.467 297 L N 6.646 127.793 121.223 -0.127 0.000 2.381 297 L HA 0.605 4.945 4.340 0.001 0.000 0.274 297 L C -0.846 175.979 176.870 -0.075 0.000 0.988 297 L CA -0.841 53.917 54.840 -0.136 0.000 0.824 297 L CB 2.130 44.053 42.059 -0.228 0.000 1.263 297 L HN 0.263 nan 8.230 nan 0.000 0.410 298 V N 1.832 121.718 119.914 -0.046 0.000 2.581 298 V HA 0.730 4.851 4.120 0.001 0.000 0.303 298 V C -0.125 175.998 176.094 0.048 0.000 1.041 298 V CA -0.233 62.072 62.300 0.009 0.000 0.907 298 V CB 1.889 33.726 31.823 0.022 0.000 0.994 298 V HN 0.854 nan 8.190 nan 0.000 0.442 299 S N 1.675 117.430 115.700 0.092 0.000 2.727 299 S HA 0.460 4.930 4.470 0.001 0.000 0.278 299 S C 0.064 174.775 174.600 0.185 0.000 1.186 299 S CA -0.595 57.691 58.200 0.143 0.000 0.836 299 S CB 1.873 65.167 63.200 0.156 0.000 1.186 299 S HN 0.789 nan 8.310 nan 0.000 0.499 300 N N 0.761 119.605 118.700 0.241 0.000 2.273 300 N HA 0.101 4.842 4.740 0.001 0.000 0.192 300 N C -0.764 175.045 175.510 0.498 0.000 1.132 300 N CA 0.280 53.527 53.050 0.327 0.000 0.887 300 N CB 0.194 38.851 38.487 0.283 0.000 1.048 300 N HN 0.737 nan 8.380 nan 0.000 0.490 301 D N 0.221 120.872 120.400 0.419 0.000 2.699 301 D HA -0.186 4.455 4.640 0.001 0.000 0.239 301 D C -0.497 176.116 176.300 0.521 0.000 1.136 301 D CA 0.392 54.686 54.000 0.490 0.000 0.668 301 D CB -1.163 39.868 40.800 0.385 0.000 1.060 301 D HN 0.367 nan 8.370 nan 0.000 0.429 302 W N -0.591 120.788 121.300 0.132 0.000 2.260 302 W HA 0.537 5.198 4.660 0.001 0.000 0.366 302 W C -0.004 176.405 176.519 -0.183 0.000 1.315 302 W CA -0.596 56.712 57.345 -0.062 0.000 1.458 302 W CB 0.647 30.019 29.460 -0.147 0.000 1.255 302 W HN 0.043 nan 8.180 nan 0.000 0.671 303 L N -0.174 120.653 121.223 -0.662 0.000 2.775 303 L HA 0.337 4.678 4.340 0.001 0.000 0.263 303 L C -0.487 175.919 176.870 -0.774 0.000 1.017 303 L CA -0.596 53.870 54.840 -0.622 0.000 0.891 303 L CB 0.534 42.293 42.059 -0.499 0.000 1.482 303 L HN 0.286 nan 8.230 nan 0.000 0.410 304 F N -0.464 119.479 119.950 -0.012 0.000 2.717 304 F HA 0.678 5.206 4.527 0.002 0.000 0.297 304 F C 1.157 176.991 175.800 0.057 0.000 1.113 304 F CA -0.043 57.982 58.000 0.041 0.000 1.319 304 F CB 0.878 39.909 39.000 0.050 0.000 1.097 304 F HN 0.612 nan 8.300 nan 0.000 0.595 305 G N -0.430 108.464 108.800 0.156 0.000 2.667 305 G HA2 0.513 4.474 3.960 0.001 0.000 0.298 305 G HA3 0.513 4.474 3.960 0.001 0.000 0.298 305 G C -2.157 172.950 174.900 0.344 0.000 1.377 305 G CA -0.402 44.879 45.100 0.301 0.000 0.964 305 G HN -0.163 nan 8.290 nan 0.000 0.493 306 F N 2.409 122.548 119.950 0.314 0.000 3.051 306 F HA 0.413 4.941 4.527 0.001 0.000 0.363 306 F C 0.677 176.590 175.800 0.189 0.000 1.257 306 F CA -1.615 56.463 58.000 0.129 0.000 1.126 306 F CB 1.634 40.615 39.000 -0.033 0.000 1.476 306 F HN 0.487 nan 8.300 nan 0.000 0.576 307 S N 0.847 116.727 115.700 0.301 0.000 2.511 307 S HA 0.005 4.476 4.470 0.001 0.000 0.214 307 S C 1.356 175.709 174.600 -0.412 0.000 0.997 307 S CA 0.607 58.610 58.200 -0.327 0.000 0.908 307 S CB -0.184 62.402 63.200 -1.022 0.000 0.803 307 S HN 0.502 nan 8.310 nan 0.000 0.504 308 S N -0.132 115.521 115.700 -0.079 0.000 2.720 308 S HA 0.269 4.740 4.470 0.001 0.000 0.222 308 S C 0.015 174.670 174.600 0.092 0.000 0.958 308 S CA -0.367 57.836 58.200 0.004 0.000 0.943 308 S CB -0.610 62.691 63.200 0.168 0.000 0.779 308 S HN 0.618 nan 8.310 nan 0.000 0.526 309 Y N 0.827 120.923 120.300 -0.339 0.000 3.175 309 Y HA 0.566 5.117 4.550 0.001 0.000 0.294 309 Y C -0.176 175.544 175.900 -0.301 0.000 1.750 309 Y CA -1.541 56.346 58.100 -0.356 0.000 1.054 309 Y CB 0.728 38.779 38.460 -0.682 0.000 1.465 309 Y HN 0.089 nan 8.280 nan 0.000 0.535 310 V N 0.664 120.171 119.914 -0.678 0.000 2.963 310 V HA 0.315 4.436 4.120 0.001 0.000 0.306 310 V C -0.048 175.909 176.094 -0.229 0.000 1.077 310 V CA -0.466 61.571 62.300 -0.440 0.000 1.124 310 V CB 0.058 31.587 31.823 -0.490 0.000 0.987 310 V HN 0.710 nan 8.190 nan 0.000 0.487 311 T N 4.623 119.098 114.554 -0.132 0.000 2.930 311 T HA 0.260 4.611 4.350 0.001 0.000 0.306 311 T C 0.820 175.446 174.700 -0.123 0.000 1.045 311 T CA 1.003 63.057 62.100 -0.076 0.000 1.134 311 T CB -0.125 68.695 68.868 -0.079 0.000 0.961 311 T HN 1.129 nan 8.240 nan 0.000 0.545 312 N N -0.686 117.935 118.700 -0.131 0.000 2.976 312 N HA -0.178 4.563 4.740 0.001 0.000 0.206 312 N C 0.833 176.301 175.510 -0.071 0.000 0.910 312 N CA 0.625 53.614 53.050 -0.101 0.000 1.030 312 N CB -1.372 37.062 38.487 -0.088 0.000 1.019 312 N HN 0.537 nan 8.380 nan 0.000 0.577 313 I N 0.921 121.435 120.570 -0.094 0.000 2.361 313 I HA -0.074 4.097 4.170 0.001 0.000 0.251 313 I C 2.197 178.300 176.117 -0.024 0.000 1.133 313 I CA 1.513 62.773 61.300 -0.067 0.000 1.413 313 I CB -0.112 37.807 38.000 -0.134 0.000 1.073 313 I HN 0.357 nan 8.210 nan 0.000 0.424 314 M N 0.448 120.051 119.600 0.005 0.000 2.080 314 M HA -0.234 4.247 4.480 0.001 0.000 0.260 314 M C 1.732 178.051 176.300 0.031 0.000 1.068 314 M CA 2.008 57.338 55.300 0.049 0.000 1.109 314 M CB -0.602 32.069 32.600 0.117 0.000 1.342 314 M HN 0.214 nan 8.290 nan 0.000 0.405 315 D N -0.628 119.785 120.400 0.020 0.000 2.117 315 D HA -0.143 4.498 4.640 0.001 0.000 0.197 315 D C 2.152 178.473 176.300 0.034 0.000 0.987 315 D CA 1.546 55.564 54.000 0.030 0.000 0.829 315 D CB -0.532 40.271 40.800 0.004 0.000 0.961 315 D HN 0.288 nan 8.370 nan 0.000 0.460 316 V N 1.092 121.015 119.914 0.015 0.000 2.255 316 V HA -0.276 3.845 4.120 0.001 0.000 0.247 316 V C 2.566 178.682 176.094 0.037 0.000 1.051 316 V CA 1.530 63.841 62.300 0.018 0.000 1.018 316 V CB -0.417 31.410 31.823 0.007 0.000 0.641 316 V HN 0.208 nan 8.190 nan 0.000 0.445 317 M N -0.458 119.152 119.600 0.017 0.000 2.108 317 M HA -0.201 4.280 4.480 0.001 0.000 0.261 317 M C 1.961 178.420 176.300 0.265 0.000 1.066 317 M CA 1.889 57.209 55.300 0.033 0.000 1.107 317 M CB -0.685 31.746 32.600 -0.282 0.000 1.356 317 M HN 0.333 nan 8.290 nan 0.000 0.406 318 D N -0.017 120.519 120.400 0.227 0.000 2.218 318 D HA -0.105 4.536 4.640 0.001 0.000 0.204 318 D C 2.045 178.444 176.300 0.164 0.000 0.976 318 D CA 1.076 55.248 54.000 0.287 0.000 0.853 318 D CB -0.224 40.711 40.800 0.225 0.000 0.939 318 D HN 0.400 nan 8.370 nan 0.000 0.481 319 R N 0.198 120.763 120.500 0.108 0.000 2.093 319 R HA 0.002 4.343 4.340 0.001 0.000 0.224 319 R C 2.395 178.724 176.300 0.047 0.000 1.101 319 R CA 0.354 56.492 56.100 0.063 0.000 0.979 319 R CB -0.166 30.161 30.300 0.045 0.000 0.877 319 R HN 0.047 nan 8.270 nan 0.000 0.441 320 V N 1.383 121.333 119.914 0.061 0.000 2.358 320 V HA -0.172 3.949 4.120 0.001 0.000 0.246 320 V C 0.649 176.710 176.094 -0.054 0.000 1.047 320 V CA 1.395 63.710 62.300 0.024 0.000 1.035 320 V CB -0.422 31.424 31.823 0.040 0.000 0.658 320 V HN 0.321 nan 8.190 nan 0.000 0.452 321 N N -0.386 118.281 118.700 -0.055 0.000 2.762 321 N HA 0.265 5.005 4.740 0.001 0.000 0.252 321 N C -2.096 173.274 175.510 -0.233 0.000 1.269 321 N CA -1.771 51.088 53.050 -0.319 0.000 0.799 321 N CB 1.593 39.590 38.487 -0.818 0.000 1.173 321 N HN -0.001 nan 8.380 nan 0.000 0.516 322 P HA -0.049 nan 4.420 nan 0.000 0.219 322 P C 0.339 177.593 177.300 -0.076 0.000 1.146 322 P CA 0.989 64.067 63.100 -0.036 0.000 0.808 322 P CB 0.420 32.116 31.700 -0.006 0.000 0.779 323 D N -0.979 119.340 120.400 -0.136 0.000 2.269 323 D HA -0.007 4.634 4.640 0.001 0.000 0.208 323 D C 1.703 177.866 176.300 -0.228 0.000 0.963 323 D CA 1.346 55.275 54.000 -0.119 0.000 0.864 323 D CB -0.537 40.241 40.800 -0.037 0.000 0.936 323 D HN 0.109 nan 8.370 nan 0.000 0.505 324 G N 1.370 109.836 108.800 -0.557 0.000 2.611 324 G HA2 -0.424 3.536 3.960 0.001 0.000 0.301 324 G HA3 -0.424 3.536 3.960 0.001 0.000 0.301 324 G C 1.147 175.649 174.900 -0.663 0.000 1.233 324 G CA 0.635 45.125 45.100 -1.017 0.000 0.993 324 G HN 0.264 nan 8.290 nan 0.000 0.553 325 M N 0.923 120.385 119.600 -0.231 0.000 2.358 325 M HA 0.009 4.490 4.480 0.001 0.000 0.264 325 M C 2.799 179.096 176.300 -0.006 0.000 1.064 325 M CA 1.831 57.121 55.300 -0.016 0.000 1.093 325 M CB -0.312 32.369 32.600 0.135 0.000 1.401 325 M HN 0.720 nan 8.290 nan 0.000 0.440 326 A N -0.569 122.225 122.820 -0.043 0.000 2.235 326 A HA -0.083 4.238 4.320 0.001 0.000 0.208 326 A C 1.773 179.310 177.584 -0.079 0.000 1.172 326 A CA 0.340 52.341 52.037 -0.060 0.000 0.786 326 A CB -0.915 18.044 19.000 -0.069 0.000 0.804 326 A HN 0.491 nan 8.150 nan 0.000 0.479 327 F N 0.863 120.668 119.950 -0.241 0.000 2.126 327 F HA -0.238 4.289 4.527 0.001 0.000 0.299 327 F C 1.914 177.599 175.800 -0.192 0.000 1.096 327 F CA 1.635 59.463 58.000 -0.288 0.000 1.255 327 F CB -0.023 38.732 39.000 -0.409 0.000 0.997 327 F HN 0.198 nan 8.300 nan 0.000 0.479 328 I N 1.590 122.140 120.570 -0.032 0.000 2.099 328 I HA -0.217 3.954 4.170 0.001 0.000 0.239 328 I C -0.279 175.818 176.117 -0.034 0.000 1.066 328 I CA 1.843 63.143 61.300 -0.001 0.000 1.324 328 I CB -2.981 35.125 38.000 0.176 0.000 1.037 328 I HN 0.119 nan 8.210 nan 0.000 0.401 329 P HA -0.089 nan 4.420 nan 0.000 0.219 329 P C 2.204 179.417 177.300 -0.144 0.000 1.150 329 P CA 1.383 64.436 63.100 -0.079 0.000 0.814 329 P CB 0.024 31.531 31.700 -0.321 0.000 0.787 330 L N -1.535 119.561 121.223 -0.212 0.000 2.209 330 L HA 0.031 4.372 4.340 0.001 0.000 0.207 330 L C 2.643 179.333 176.870 -0.300 0.000 1.094 330 L CA 1.009 55.716 54.840 -0.222 0.000 0.790 330 L CB -0.288 41.645 42.059 -0.210 0.000 0.932 330 L HN -0.099 nan 8.230 nan 0.000 0.447 331 R N -1.439 118.737 120.500 -0.539 0.000 2.320 331 R HA 0.153 4.494 4.340 0.001 0.000 0.193 331 R C 2.065 178.098 176.300 -0.444 0.000 0.885 331 R CA 0.489 56.193 56.100 -0.660 0.000 1.085 331 R CB -0.339 29.083 30.300 -1.463 0.000 1.253 331 R HN 0.050 nan 8.270 nan 0.000 0.636 332 V N 2.396 122.012 119.914 -0.498 0.000 2.307 332 V HA -0.170 3.951 4.120 0.001 0.000 0.245 332 V C 2.419 178.598 176.094 0.141 0.000 1.045 332 V CA 1.421 63.684 62.300 -0.062 0.000 1.024 332 V CB -0.380 31.426 31.823 -0.028 0.000 0.651 332 V HN 0.071 nan 8.190 nan 0.000 0.449 333 I N 0.265 120.874 120.570 0.065 0.000 2.163 333 I HA -0.129 4.041 4.170 0.001 0.000 0.243 333 I C 0.131 176.310 176.117 0.103 0.000 1.085 333 I CA 1.843 63.207 61.300 0.106 0.000 1.347 333 I CB -2.746 35.330 38.000 0.128 0.000 1.044 333 I HN 0.335 nan 8.210 nan 0.000 0.408 334 P HA -0.184 nan 4.420 nan 0.000 0.217 334 P C 2.066 179.447 177.300 0.135 0.000 1.150 334 P CA 1.256 64.403 63.100 0.079 0.000 0.832 334 P CB -0.224 31.503 31.700 0.046 0.000 0.787 335 F N 0.340 120.333 119.950 0.072 0.000 2.102 335 F HA -0.180 4.347 4.527 0.001 0.000 0.298 335 F C 1.906 177.757 175.800 0.086 0.000 1.105 335 F CA 1.487 59.566 58.000 0.131 0.000 1.239 335 F CB -0.807 38.373 39.000 0.301 0.000 0.991 335 F HN -0.265 nan 8.300 nan 0.000 0.474 336 L N 0.061 121.350 121.223 0.110 0.000 2.046 336 L HA -0.188 4.153 4.340 0.001 0.000 0.208 336 L C 2.716 179.539 176.870 -0.079 0.000 1.077 336 L CA 1.515 56.341 54.840 -0.023 0.000 0.747 336 L CB -0.756 41.362 42.059 0.099 0.000 0.896 336 L HN 0.109 nan 8.230 nan 0.000 0.432 337 R N 0.528 121.013 120.500 -0.024 0.000 2.083 337 R HA -0.245 4.096 4.340 0.001 0.000 0.237 337 R C 2.251 178.509 176.300 -0.070 0.000 1.137 337 R CA 1.968 58.050 56.100 -0.030 0.000 0.951 337 R CB -0.164 30.136 30.300 0.001 0.000 0.851 337 R HN 0.379 nan 8.270 nan 0.000 0.434 338 E N 0.145 120.286 120.200 -0.098 0.000 2.204 338 E HA -0.165 4.186 4.350 0.001 0.000 0.195 338 E C 0.869 177.361 176.600 -0.180 0.000 0.990 338 E CA 1.037 57.365 56.400 -0.121 0.000 0.821 338 E CB 0.253 29.884 29.700 -0.115 0.000 0.750 338 E HN 0.073 nan 8.360 nan 0.000 0.477 339 K N -0.619 119.620 120.400 -0.269 0.000 2.505 339 K HA 0.088 4.409 4.320 0.001 0.000 0.192 339 K C 0.954 177.471 176.600 -0.138 0.000 1.025 339 K CA 0.744 56.879 56.287 -0.254 0.000 1.086 339 K CB 0.705 32.991 32.500 -0.357 0.000 0.840 339 K HN 0.332 nan 8.250 nan 0.000 0.514 340 G N 0.430 109.170 108.800 -0.100 0.000 2.176 340 G HA2 -0.234 3.727 3.960 0.001 0.000 0.232 340 G HA3 -0.234 3.727 3.960 0.001 0.000 0.232 340 G C 0.113 174.986 174.900 -0.045 0.000 0.986 340 G CA 0.006 45.068 45.100 -0.062 0.000 0.643 340 G HN 0.111 nan 8.290 nan 0.000 0.522 341 V N 3.108 122.995 119.914 -0.045 0.000 2.508 341 V HA 0.397 4.518 4.120 0.001 0.000 0.281 341 V C -1.127 174.958 176.094 -0.015 0.000 1.041 341 V CA -1.000 61.286 62.300 -0.022 0.000 1.016 341 V CB 1.047 32.865 31.823 -0.008 0.000 0.984 341 V HN 0.227 nan 8.190 nan 0.000 0.478 342 P HA 0.134 nan 4.420 nan 0.000 0.274 342 P C 0.517 177.817 177.300 0.000 0.000 1.231 342 P CA -0.340 62.756 63.100 -0.007 0.000 0.790 342 P CB 0.786 32.480 31.700 -0.009 0.000 0.951 343 Q N 1.692 121.495 119.800 0.004 0.000 2.062 343 Q HA -0.285 4.055 4.340 0.001 0.000 0.209 343 Q C 1.549 177.556 176.000 0.011 0.000 0.996 343 Q CA 2.219 58.029 55.803 0.012 0.000 0.859 343 Q CB -0.548 28.197 28.738 0.011 0.000 0.920 343 Q HN 0.306 nan 8.270 nan 0.000 0.415 344 E N -0.309 119.894 120.200 0.004 0.000 2.160 344 E HA -0.140 4.210 4.350 0.001 0.000 0.195 344 E C 2.089 178.686 176.600 -0.004 0.000 0.991 344 E CA 1.696 58.097 56.400 0.001 0.000 0.810 344 E CB -0.517 29.181 29.700 -0.003 0.000 0.742 344 E HN 0.511 nan 8.360 nan 0.000 0.466 345 T N 1.533 116.084 114.554 -0.005 0.000 2.777 345 T HA -0.032 4.319 4.350 0.001 0.000 0.266 345 T C 2.132 176.827 174.700 -0.009 0.000 1.040 345 T CA 0.663 62.758 62.100 -0.008 0.000 1.141 345 T CB -0.175 68.689 68.868 -0.007 0.000 0.868 345 T HN 0.089 nan 8.240 nan 0.000 0.444 346 L N 0.866 122.089 121.223 0.000 0.000 2.046 346 L HA -0.085 4.256 4.340 0.001 0.000 0.208 346 L C 3.051 179.909 176.870 -0.020 0.000 1.077 346 L CA 1.288 56.130 54.840 0.003 0.000 0.747 346 L CB -0.687 41.392 42.059 0.033 0.000 0.896 346 L HN 0.241 nan 8.230 nan 0.000 0.432 347 A N 0.241 123.058 122.820 -0.005 0.000 1.930 347 A HA -0.071 4.250 4.320 0.001 0.000 0.217 347 A C 2.403 179.959 177.584 -0.046 0.000 1.175 347 A CA 1.539 53.569 52.037 -0.013 0.000 0.627 347 A CB -1.099 17.910 19.000 0.015 0.000 0.815 347 A HN 0.437 nan 8.150 nan 0.000 0.443 348 G N -0.000 108.779 108.800 -0.035 0.000 2.402 348 G HA2 -0.153 3.808 3.960 0.001 0.000 0.216 348 G HA3 -0.153 3.808 3.960 0.001 0.000 0.216 348 G C 1.508 176.371 174.900 -0.062 0.000 1.162 348 G CA 1.089 46.166 45.100 -0.039 0.000 0.777 348 G HN 0.464 nan 8.290 nan 0.000 0.539 349 I N 1.451 121.978 120.570 -0.071 0.000 2.315 349 I HA -0.130 4.041 4.170 0.001 0.000 0.248 349 I C 3.058 179.076 176.117 -0.164 0.000 1.117 349 I CA 1.713 62.958 61.300 -0.091 0.000 1.404 349 I CB -0.173 37.787 38.000 -0.066 0.000 1.071 349 I HN 0.318 nan 8.210 nan 0.000 0.419 350 T N -2.961 111.438 114.554 -0.258 0.000 3.067 350 T HA 0.101 4.452 4.350 0.001 0.000 0.257 350 T C 1.424 175.863 174.700 -0.435 0.000 1.105 350 T CA 0.514 62.297 62.100 -0.529 0.000 1.104 350 T CB 0.115 68.361 68.868 -1.037 0.000 0.925 350 T HN 0.122 nan 8.240 nan 0.000 0.498 351 V N 0.667 120.451 119.914 -0.216 0.000 3.054 351 V HA 0.054 4.174 4.120 0.001 0.000 0.227 351 V C 2.781 178.843 176.094 -0.053 0.000 1.252 351 V CA 1.053 63.292 62.300 -0.102 0.000 1.279 351 V CB -0.377 31.423 31.823 -0.038 0.000 1.118 351 V HN 0.352 nan 8.190 nan 0.000 0.504 352 T N 1.278 115.804 114.554 -0.045 0.000 2.708 352 T HA -0.165 4.186 4.350 0.001 0.000 0.266 352 T C 1.790 176.480 174.700 -0.017 0.000 1.037 352 T CA 1.983 64.069 62.100 -0.024 0.000 1.146 352 T CB -0.358 68.498 68.868 -0.020 0.000 0.865 352 T HN 0.343 nan 8.240 nan 0.000 0.435 353 N N 1.534 120.214 118.700 -0.033 0.000 2.069 353 N HA -0.057 4.684 4.740 0.001 0.000 0.191 353 N C -0.959 174.562 175.510 0.018 0.000 1.031 353 N CA 1.259 54.296 53.050 -0.022 0.000 0.852 353 N CB -1.560 36.892 38.487 -0.058 0.000 1.018 353 N HN 0.342 nan 8.380 nan 0.000 0.423 354 P HA -0.016 nan 4.420 nan 0.000 0.217 354 P C 1.086 178.440 177.300 0.090 0.000 1.150 354 P CA 1.463 64.606 63.100 0.071 0.000 0.832 354 P CB -0.078 31.632 31.700 0.017 0.000 0.787 355 A N 0.038 122.880 122.820 0.036 0.000 1.877 355 A HA -0.227 4.094 4.320 0.001 0.000 0.216 355 A C 2.453 180.052 177.584 0.025 0.000 1.186 355 A CA 1.671 53.719 52.037 0.018 0.000 0.620 355 A CB -1.235 17.767 19.000 0.003 0.000 0.822 355 A HN 0.013 nan 8.150 nan 0.000 0.443 356 R N -1.943 118.582 120.500 0.042 0.000 2.081 356 R HA -0.141 4.199 4.340 0.001 0.000 0.235 356 R C 1.999 178.349 176.300 0.083 0.000 1.131 356 R CA 1.768 57.895 56.100 0.044 0.000 0.960 356 R CB -0.421 29.904 30.300 0.041 0.000 0.856 356 R HN 0.510 nan 8.270 nan 0.000 0.436 357 F N 1.210 121.129 119.950 -0.052 0.000 2.102 357 F HA -0.118 4.409 4.527 0.001 0.000 0.298 357 F C 1.794 177.557 175.800 -0.063 0.000 1.105 357 F CA 1.420 59.385 58.000 -0.058 0.000 1.239 357 F CB -0.291 38.676 39.000 -0.054 0.000 0.991 357 F HN -0.028 nan 8.300 nan 0.000 0.474 358 L N -0.593 120.577 121.223 -0.090 0.000 2.217 358 L HA -0.062 4.279 4.340 0.001 0.000 0.211 358 L C 1.380 178.147 176.870 -0.171 0.000 1.107 358 L CA 0.601 55.319 54.840 -0.204 0.000 0.783 358 L CB -0.774 41.233 42.059 -0.087 0.000 0.919 358 L HN 0.048 nan 8.230 nan 0.000 0.442 359 S N 1.204 116.839 115.700 -0.108 0.000 2.515 359 S HA 0.097 4.567 4.470 0.001 0.000 0.285 359 S C -2.193 172.334 174.600 -0.122 0.000 1.265 359 S CA -1.340 56.803 58.200 -0.096 0.000 1.079 359 S CB 0.235 63.398 63.200 -0.062 0.000 0.877 359 S HN -0.081 nan 8.310 nan 0.000 0.493 360 P HA 0.163 nan 4.420 nan 0.000 0.263 360 P C -0.986 176.254 177.300 -0.099 0.000 1.195 360 P CA 0.110 63.136 63.100 -0.125 0.000 0.762 360 P CB 0.509 32.142 31.700 -0.112 0.000 0.799 361 T N 4.417 118.909 114.554 -0.103 0.000 2.965 361 T HA 0.390 4.741 4.350 0.001 0.000 0.306 361 T C 0.032 174.688 174.700 -0.074 0.000 0.991 361 T CA -0.547 61.506 62.100 -0.079 0.000 1.001 361 T CB 0.356 69.179 68.868 -0.075 0.000 0.984 361 T HN 0.112 nan 8.240 nan 0.000 0.446 362 L N 2.280 123.467 121.223 -0.060 0.000 2.395 362 L HA 0.507 4.848 4.340 0.001 0.000 0.269 362 L C 1.099 177.944 176.870 -0.043 0.000 1.133 362 L CA -0.962 53.847 54.840 -0.052 0.000 0.812 362 L CB 0.668 42.701 42.059 -0.043 0.000 1.125 362 L HN 0.441 nan 8.230 nan 0.000 0.452 363 R N 1.520 121.997 120.500 -0.039 0.000 2.623 363 R HA 0.294 4.635 4.340 0.001 0.000 0.271 363 R C -0.153 176.131 176.300 -0.026 0.000 1.043 363 R CA -0.246 55.835 56.100 -0.032 0.000 1.083 363 R CB 0.699 30.983 30.300 -0.027 0.000 0.974 363 R HN 0.762 nan 8.270 nan 0.000 0.436 364 A N 3.090 125.897 122.820 -0.023 0.000 2.445 364 A HA 0.201 4.521 4.320 0.001 0.000 0.242 364 A C 0.102 177.677 177.584 -0.015 0.000 1.075 364 A CA -0.136 51.889 52.037 -0.019 0.000 0.777 364 A CB 0.340 19.329 19.000 -0.018 0.000 1.013 364 A HN 0.909 nan 8.150 nan 0.000 0.493 365 S N 0.000 115.692 115.700 -0.013 0.000 2.498 365 S HA 0.000 4.471 4.470 0.001 0.000 0.327 365 S CA 0.000 58.194 58.200 -0.009 0.000 1.107 365 S CB 0.000 63.195 63.200 -0.009 0.000 0.593 365 S HN 0.000 nan 8.310 nan 0.000 0.517