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 3hrp_1_A DATA FIRST_RESID 31 DATA SEQUENCE ATYDPNQPVT VESFXPVEGK LREKVIVKGS NFGTDKSKVK VYFVDEAAER DATA SEQUENCE LSTVIGIDNN TLYCLAPRQL PGGNRIKVIV DGKEVTTDGT FKYEQAQNVS DATA SEQUENCE TISGSASKDG NDDGDLASAK FKYXWGIAAV GNNTVLAYQR DDPRVRLISV DATA SEQUENCE DDNKVTTVHP GFKGGKPAVT KDKQRVYSIG WEGTHTVYVY XKASGWAPTR DATA SEQUENCE IGQLGSTFSG KIGAVALDET EEWLYFVDSN KNFGRFNVKT QEVTLIKQLE DATA SEQUENCE LSGSLGTNPG PYLIYYFVDS NFYXSDQNLS SVYKITPDGE CEWFCGSATQ DATA SEQUENCE KTVQDGLREE ALFAQPNGXT VDEDGNFYIV DGFKGYCLRK LDILDGYVST DATA SEQUENCE VAGQVDVASQ IDGTPLEATF NYPYDICYDG EGGYWIAEAW GKAIRKYAVE 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 31 A HA 0.000 nan 4.320 nan 0.000 0.244 31 A C 0.000 177.604 177.584 0.033 0.000 1.274 31 A CA 0.000 52.045 52.037 0.014 0.000 0.836 31 A CB 0.000 19.005 19.000 0.008 0.000 0.831 32 T N -0.671 113.902 114.554 0.032 0.000 2.893 32 T HA 0.555 4.905 4.350 -0.000 0.000 0.291 32 T C -1.290 173.460 174.700 0.082 0.000 1.028 32 T CA -0.327 61.812 62.100 0.064 0.000 0.995 32 T CB 0.965 69.862 68.868 0.048 0.000 1.051 32 T HN 0.753 nan 8.240 nan 0.000 0.470 33 Y N 3.596 123.904 120.300 0.013 0.000 2.620 33 Y HA 0.320 4.870 4.550 -0.000 0.000 0.330 33 Y C 0.217 176.123 175.900 0.009 0.000 1.186 33 Y CA 0.023 58.133 58.100 0.016 0.000 1.467 33 Y CB 0.466 38.944 38.460 0.031 0.000 1.262 33 Y HN 0.497 nan 8.280 nan 0.000 0.550 34 D N 8.803 128.778 120.400 -0.708 0.000 2.440 34 D HA 0.253 4.893 4.640 -0.000 0.000 0.239 34 D C -1.976 173.850 176.300 -0.789 0.000 1.084 34 D CA -2.441 51.236 54.000 -0.539 0.000 0.843 34 D CB 1.921 42.547 40.800 -0.290 0.000 1.097 34 D HN 0.347 nan 8.370 nan 0.000 0.531 35 P HA -0.093 nan 4.420 nan 0.000 0.220 35 P C 0.611 177.827 177.300 -0.140 0.000 1.148 35 P CA 0.644 63.615 63.100 -0.215 0.000 0.803 35 P CB 0.553 32.269 31.700 0.026 0.000 0.782 36 N N -0.805 117.813 118.700 -0.138 0.000 2.494 36 N HA -0.023 4.717 4.740 -0.000 0.000 0.182 36 N C 0.859 176.313 175.510 -0.093 0.000 1.076 36 N CA 0.731 53.730 53.050 -0.085 0.000 0.908 36 N CB -0.165 38.282 38.487 -0.067 0.000 0.967 36 N HN 0.320 nan 8.380 nan 0.000 0.449 37 Q N 0.695 120.406 119.800 -0.149 0.000 2.257 37 Q HA 0.411 4.751 4.340 -0.000 0.000 0.262 37 Q C -2.197 173.753 176.000 -0.084 0.000 0.997 37 Q CA -1.817 53.916 55.803 -0.117 0.000 0.873 37 Q CB 1.639 30.291 28.738 -0.143 0.000 1.312 37 Q HN 0.110 nan 8.270 nan 0.000 0.450 38 P HA 0.146 nan 4.420 nan 0.000 0.274 38 P C -0.384 176.927 177.300 0.018 0.000 1.256 38 P CA -0.371 62.730 63.100 0.002 0.000 0.795 38 P CB 0.726 32.430 31.700 0.007 0.000 1.038 39 V N 0.940 120.902 119.914 0.079 0.000 2.546 39 V HA 0.374 4.494 4.120 -0.000 0.000 0.284 39 V C 0.894 177.047 176.094 0.098 0.000 1.050 39 V CA 0.159 62.535 62.300 0.127 0.000 0.981 39 V CB 0.887 32.847 31.823 0.229 0.000 0.990 39 V HN 0.838 nan 8.190 nan 0.000 0.474 40 T N 1.750 116.346 114.554 0.071 0.000 2.907 40 T HA 0.799 5.149 4.350 -0.000 0.000 0.292 40 T C -0.979 173.802 174.700 0.135 0.000 1.043 40 T CA -0.753 61.387 62.100 0.067 0.000 1.003 40 T CB 1.895 70.765 68.868 0.003 0.000 1.084 40 T HN 0.298 nan 8.240 nan 0.000 0.483 41 V N 1.460 121.459 119.914 0.141 0.000 2.531 41 V HA 0.506 4.626 4.120 -0.000 0.000 0.301 41 V C 0.851 177.014 176.094 0.116 0.000 1.034 41 V CA -0.558 61.853 62.300 0.185 0.000 0.865 41 V CB 1.438 33.376 31.823 0.191 0.000 0.995 41 V HN 1.082 nan 8.190 nan 0.000 0.424 42 E N 2.733 122.992 120.200 0.098 0.000 2.244 42 E HA 0.198 4.548 4.350 -0.000 0.000 0.196 42 E C 0.685 177.315 176.600 0.051 0.000 0.939 42 E CA 0.911 57.343 56.400 0.054 0.000 0.884 42 E CB 0.902 30.614 29.700 0.020 0.000 0.850 42 E HN 1.089 nan 8.360 nan 0.000 0.481 43 S N -1.390 114.358 115.700 0.080 0.000 2.636 43 S HA 0.680 5.150 4.470 -0.000 0.000 0.266 43 S C -0.879 173.796 174.600 0.124 0.000 1.147 43 S CA -0.549 57.656 58.200 0.007 0.000 0.815 43 S CB 1.337 64.498 63.200 -0.064 0.000 1.119 43 S HN 0.609 nan 8.310 nan 0.000 0.470 47 V N -2.562 117.502 119.914 0.250 0.000 3.623 47 V HA 0.263 4.383 4.120 -0.000 0.000 0.271 47 V C 0.558 176.653 176.094 0.001 0.000 1.248 47 V CA 1.358 63.813 62.300 0.259 0.000 1.156 47 V CB -1.190 30.680 31.823 0.078 0.000 0.870 47 V HN 0.790 nan 8.190 nan 0.000 0.453 48 E N -0.900 119.192 120.200 -0.180 0.000 2.407 48 E HA 0.762 5.112 4.350 -0.000 0.000 0.279 48 E C -0.371 175.986 176.600 -0.406 0.000 1.012 48 E CA -0.466 55.580 56.400 -0.591 0.000 0.800 48 E CB 1.762 31.290 29.700 -0.286 0.000 1.276 48 E HN 0.320 nan 8.360 nan 0.000 0.452 49 G N 0.521 109.043 108.800 -0.464 0.000 2.342 49 G HA2 0.393 4.353 3.960 -0.000 0.000 0.297 49 G HA3 0.393 4.353 3.960 -0.000 0.000 0.297 49 G C -1.582 173.258 174.900 -0.100 0.000 1.313 49 G CA -0.861 44.228 45.100 -0.017 0.000 0.830 49 G HN 0.436 nan 8.290 nan 0.000 0.506 50 K N -1.036 119.335 120.400 -0.048 0.000 2.279 50 K HA 0.662 4.982 4.320 -0.000 0.000 0.238 50 K C -0.694 175.911 176.600 0.009 0.000 1.084 50 K CA -1.013 55.115 56.287 -0.266 0.000 0.885 50 K CB 1.909 34.300 32.500 -0.181 0.000 1.319 50 K HN 0.412 nan 8.250 nan 0.000 0.494 51 L N 2.006 123.252 121.223 0.039 0.000 2.578 51 L HA -0.024 4.316 4.340 -0.000 0.000 0.279 51 L C 0.759 177.677 176.870 0.080 0.000 1.227 51 L CA 1.296 56.243 54.840 0.180 0.000 0.900 51 L CB -0.360 41.783 42.059 0.140 0.000 1.144 51 L HN 0.716 nan 8.230 nan 0.000 0.496 52 R N 1.483 122.011 120.500 0.046 0.000 3.919 52 R HA -0.195 4.145 4.340 -0.000 0.000 0.412 52 R C -0.010 176.307 176.300 0.030 0.000 1.102 52 R CA 1.044 57.152 56.100 0.013 0.000 1.082 52 R CB -1.240 29.070 30.300 0.017 0.000 1.671 52 R HN 0.832 nan 8.270 nan 0.000 0.540 53 E N 1.924 122.162 120.200 0.063 0.000 2.452 53 E HA -0.036 4.314 4.350 -0.000 0.000 0.261 53 E C -0.325 176.323 176.600 0.079 0.000 0.987 53 E CA 0.502 56.967 56.400 0.109 0.000 0.926 53 E CB 0.608 30.457 29.700 0.248 0.000 0.934 53 E HN 0.098 nan 8.360 nan 0.000 0.452 54 K N 3.748 124.210 120.400 0.104 0.000 2.316 54 K HA 0.209 4.529 4.320 -0.000 0.000 0.289 54 K C -1.294 175.391 176.600 0.142 0.000 1.070 54 K CA -0.426 55.928 56.287 0.112 0.000 0.928 54 K CB 0.492 33.065 32.500 0.123 0.000 1.039 54 K HN 0.312 nan 8.250 nan 0.000 0.480 55 V N 6.637 126.623 119.914 0.119 0.000 2.495 55 V HA 0.430 4.550 4.120 -0.000 0.000 0.298 55 V C -0.031 176.104 176.094 0.069 0.000 1.031 55 V CA -0.856 61.516 62.300 0.121 0.000 0.871 55 V CB 1.722 33.596 31.823 0.084 0.000 0.988 55 V HN 0.655 nan 8.190 nan 0.000 0.432 56 I N 4.528 125.130 120.570 0.052 0.000 2.404 56 I HA 0.508 4.678 4.170 -0.000 0.000 0.293 56 I C -0.688 175.423 176.117 -0.010 0.000 0.992 56 I CA -0.828 60.413 61.300 -0.099 0.000 1.149 56 I CB 2.034 39.947 38.000 -0.145 0.000 1.315 56 I HN 0.252 nan 8.210 nan 0.000 0.446 57 V N 6.457 126.330 119.914 -0.068 0.000 2.417 57 V HA 0.405 4.525 4.120 -0.000 0.000 0.291 57 V C -0.071 176.093 176.094 0.117 0.000 1.024 57 V CA -0.836 61.487 62.300 0.038 0.000 0.861 57 V CB 1.658 33.435 31.823 -0.076 0.000 0.985 57 V HN 0.544 nan 8.190 nan 0.000 0.436 58 K N 3.234 123.733 120.400 0.165 0.000 2.206 58 K HA 0.847 5.167 4.320 -0.000 0.000 0.264 58 K C 0.308 177.022 176.600 0.189 0.000 0.967 58 K CA -0.118 56.264 56.287 0.159 0.000 0.844 58 K CB 2.016 34.551 32.500 0.060 0.000 1.099 58 K HN 0.946 nan 8.250 nan 0.000 0.441 59 G N 0.197 109.021 108.800 0.039 0.000 2.562 59 G HA2 0.376 4.336 3.960 -0.000 0.000 0.190 59 G HA3 0.376 4.336 3.960 -0.000 0.000 0.190 59 G C -1.371 173.201 174.900 -0.547 0.000 1.196 59 G CA -0.305 44.690 45.100 -0.176 0.000 0.986 59 G HN 0.588 nan 8.290 nan 0.000 0.512 60 S N -1.512 113.760 115.700 -0.714 0.000 2.556 60 S HA 0.573 5.043 4.470 -0.000 0.000 0.271 60 S C -0.149 174.137 174.600 -0.522 0.000 1.135 60 S CA 0.372 58.228 58.200 -0.572 0.000 0.858 60 S CB 1.946 64.990 63.200 -0.261 0.000 1.114 60 S HN 1.837 nan 8.310 nan 0.000 0.468 61 N N -0.481 118.037 118.700 -0.303 0.000 2.776 61 N HA -0.133 4.607 4.740 -0.000 0.000 0.249 61 N C -0.359 175.293 175.510 0.236 0.000 1.111 61 N CA 0.864 53.895 53.050 -0.033 0.000 0.711 61 N CB -1.800 36.660 38.487 -0.045 0.000 1.065 61 N HN 0.583 nan 8.380 nan 0.000 0.556 62 F N -0.115 119.923 119.950 0.145 0.000 2.661 62 F HA 0.305 4.832 4.527 0.000 0.000 0.298 62 F C 2.228 178.090 175.800 0.103 0.000 1.137 62 F CA 0.997 59.063 58.000 0.110 0.000 1.454 62 F CB -0.756 38.275 39.000 0.050 0.000 1.103 62 F HN 0.335 nan 8.300 nan 0.000 0.577 63 G N 0.657 109.653 108.800 0.327 0.000 2.641 63 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.254 63 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.254 63 G C 0.640 175.628 174.900 0.148 0.000 1.315 63 G CA 0.458 45.686 45.100 0.213 0.000 0.907 63 G HN 0.544 nan 8.290 nan 0.000 0.572 64 T N -3.505 111.100 114.554 0.085 0.000 3.209 64 T HA 0.430 4.780 4.350 -0.000 0.000 0.295 64 T C -0.103 174.618 174.700 0.035 0.000 0.977 64 T CA 0.995 63.138 62.100 0.072 0.000 0.922 64 T CB 0.702 69.610 68.868 0.067 0.000 1.152 64 T HN 0.735 nan 8.240 nan 0.000 0.527 65 D N 1.426 121.829 120.400 0.005 0.000 2.461 65 D HA 0.369 5.009 4.640 -0.000 0.000 0.240 65 D C 0.958 177.239 176.300 -0.032 0.000 1.094 65 D CA -0.583 53.405 54.000 -0.021 0.000 0.868 65 D CB 1.472 42.243 40.800 -0.049 0.000 1.062 65 D HN 0.089 nan 8.370 nan 0.000 0.530 66 K N 0.846 121.233 120.400 -0.021 0.000 2.211 66 K HA -0.146 4.174 4.320 -0.000 0.000 0.204 66 K C 1.827 178.397 176.600 -0.050 0.000 1.047 66 K CA 1.345 57.611 56.287 -0.034 0.000 0.935 66 K CB 0.040 32.525 32.500 -0.024 0.000 0.728 66 K HN 0.416 nan 8.250 nan 0.000 0.452 67 S N 0.783 116.457 115.700 -0.044 0.000 2.469 67 S HA -0.061 4.409 4.470 -0.000 0.000 0.238 67 S C 1.427 175.994 174.600 -0.056 0.000 0.998 67 S CA 0.886 59.059 58.200 -0.046 0.000 0.957 67 S CB 0.081 63.259 63.200 -0.036 0.000 0.764 67 S HN 0.078 nan 8.310 nan 0.000 0.514 68 K N 1.200 121.557 120.400 -0.073 0.000 2.440 68 K HA 0.410 4.730 4.320 -0.000 0.000 0.206 68 K C -0.708 175.840 176.600 -0.087 0.000 1.025 68 K CA -0.014 56.220 56.287 -0.089 0.000 1.135 68 K CB 0.979 33.396 32.500 -0.138 0.000 0.856 68 K HN 0.309 nan 8.250 nan 0.000 0.502 69 V N 1.028 120.892 119.914 -0.084 0.000 2.735 69 V HA 0.404 4.524 4.120 -0.000 0.000 0.310 69 V C -0.373 175.647 176.094 -0.123 0.000 1.061 69 V CA -0.985 61.255 62.300 -0.100 0.000 0.913 69 V CB 2.504 34.254 31.823 -0.121 0.000 1.005 69 V HN -0.014 nan 8.190 nan 0.000 0.428 70 K N 2.628 122.942 120.400 -0.144 0.000 2.427 70 K HA 0.786 5.105 4.320 -0.000 0.000 0.252 70 K C -1.691 174.712 176.600 -0.329 0.000 0.931 70 K CA -0.738 55.390 56.287 -0.265 0.000 0.793 70 K CB 2.839 35.193 32.500 -0.245 0.000 1.211 70 K HN 0.413 nan 8.250 nan 0.000 0.426 71 V N 3.257 122.905 119.914 -0.442 0.000 2.495 71 V HA 0.450 4.570 4.120 -0.000 0.000 0.298 71 V C -1.304 174.514 176.094 -0.461 0.000 1.031 71 V CA -0.825 61.260 62.300 -0.359 0.000 0.871 71 V CB 0.973 32.639 31.823 -0.261 0.000 0.988 71 V HN 0.614 nan 8.190 nan 0.000 0.432 72 Y N 3.156 123.386 120.300 -0.116 0.000 2.462 72 Y HA 0.668 5.218 4.550 0.000 0.000 0.346 72 Y C -0.559 175.264 175.900 -0.128 0.000 0.976 72 Y CA -0.879 57.200 58.100 -0.035 0.000 1.044 72 Y CB 1.952 40.385 38.460 -0.046 0.000 1.230 72 Y HN 0.494 nan 8.280 nan 0.000 0.455 73 F N 2.088 122.040 119.950 0.003 0.000 2.404 73 F HA 0.533 5.060 4.527 -0.000 0.000 0.354 73 F C -0.289 175.502 175.800 -0.016 0.000 1.122 73 F CA -1.154 56.806 58.000 -0.068 0.000 1.080 73 F CB 1.152 40.065 39.000 -0.144 0.000 1.131 73 F HN 0.053 nan 8.300 nan 0.000 0.471 74 V N 4.123 124.091 119.914 0.089 0.000 2.347 74 V HA 0.309 4.429 4.120 -0.000 0.000 0.280 74 V C -0.435 175.691 176.094 0.053 0.000 1.021 74 V CA -0.673 61.655 62.300 0.046 0.000 0.847 74 V CB 1.037 32.855 31.823 -0.009 0.000 0.990 74 V HN 0.774 nan 8.190 nan 0.000 0.444 75 D N 2.717 123.146 120.400 0.048 0.000 2.616 75 D HA 0.267 4.907 4.640 -0.000 0.000 0.260 75 D C 1.040 177.358 176.300 0.030 0.000 1.158 75 D CA -0.542 53.485 54.000 0.046 0.000 1.085 75 D CB 0.685 41.512 40.800 0.046 0.000 1.222 75 D HN 0.487 nan 8.370 nan 0.000 0.626 76 E N -0.883 119.336 120.200 0.031 0.000 2.347 76 E HA -0.075 4.275 4.350 -0.000 0.000 0.196 76 E C 1.284 177.896 176.600 0.020 0.000 1.008 76 E CA 0.858 57.271 56.400 0.022 0.000 0.852 76 E CB -0.141 29.571 29.700 0.021 0.000 0.783 76 E HN 0.405 nan 8.360 nan 0.000 0.505 77 A N 1.046 123.882 122.820 0.027 0.000 2.035 77 A HA 0.617 4.937 4.320 -0.000 0.000 0.208 77 A C 1.071 178.671 177.584 0.027 0.000 1.206 77 A CA 0.602 52.658 52.037 0.032 0.000 0.773 77 A CB 0.510 19.538 19.000 0.046 0.000 0.878 77 A HN 0.371 nan 8.150 nan 0.000 0.469 78 A N -0.636 122.198 122.820 0.022 0.000 2.601 78 A HA 0.593 4.913 4.320 -0.000 0.000 0.291 78 A C -1.556 176.029 177.584 0.002 0.000 1.075 78 A CA -0.649 51.395 52.037 0.012 0.000 0.671 78 A CB 0.431 19.452 19.000 0.035 0.000 1.277 78 A HN 0.164 nan 8.150 nan 0.000 0.417 79 E N 1.647 121.824 120.200 -0.039 0.000 2.130 79 E HA 0.338 4.688 4.350 -0.000 0.000 0.284 79 E C -0.707 175.975 176.600 0.137 0.000 1.018 79 E CA -0.629 55.744 56.400 -0.045 0.000 0.817 79 E CB 0.832 30.299 29.700 -0.387 0.000 1.078 79 E HN 0.345 nan 8.360 nan 0.000 0.396 80 R N 2.909 123.541 120.500 0.220 0.000 2.202 80 R HA 0.210 4.550 4.340 -0.000 0.000 0.334 80 R C -0.197 176.266 176.300 0.271 0.000 1.036 80 R CA -0.980 55.237 56.100 0.195 0.000 0.878 80 R CB 0.367 30.709 30.300 0.070 0.000 1.067 80 R HN 0.392 nan 8.270 nan 0.000 0.457 81 L N 1.946 123.297 121.223 0.212 0.000 2.455 81 L HA 0.054 4.394 4.340 -0.000 0.000 0.272 81 L C 0.238 177.066 176.870 -0.070 0.000 1.174 81 L CA 0.717 55.525 54.840 -0.052 0.000 0.869 81 L CB 0.921 42.947 42.059 -0.055 0.000 1.130 81 L HN 0.578 nan 8.230 nan 0.000 0.474 82 S N 2.827 118.457 115.700 -0.117 0.000 2.472 82 S HA 0.495 4.965 4.470 -0.000 0.000 0.303 82 S C -0.306 174.240 174.600 -0.090 0.000 1.099 82 S CA -0.660 57.506 58.200 -0.056 0.000 1.077 82 S CB 0.782 64.053 63.200 0.117 0.000 1.031 82 S HN 0.750 nan 8.310 nan 0.000 0.487 83 T N 4.309 118.821 114.554 -0.070 0.000 2.784 83 T HA 0.197 4.547 4.350 -0.000 0.000 0.291 83 T C -0.095 174.582 174.700 -0.039 0.000 0.942 83 T CA -0.192 61.874 62.100 -0.057 0.000 1.161 83 T CB 0.088 68.931 68.868 -0.042 0.000 0.885 83 T HN 0.476 nan 8.240 nan 0.000 0.534 84 V N 6.294 126.179 119.914 -0.048 0.000 2.432 84 V HA 0.216 4.336 4.120 -0.000 0.000 0.271 84 V C 1.391 177.485 176.094 0.000 0.000 1.046 84 V CA -0.266 62.018 62.300 -0.026 0.000 0.945 84 V CB 0.551 32.339 31.823 -0.059 0.000 0.992 84 V HN 0.907 nan 8.190 nan 0.000 0.471 85 I N 1.943 122.536 120.570 0.038 0.000 3.708 85 I HA 0.622 4.792 4.170 -0.000 0.000 0.302 85 I C 0.832 176.966 176.117 0.029 0.000 1.255 85 I CA 0.394 61.710 61.300 0.026 0.000 1.362 85 I CB 0.567 38.580 38.000 0.022 0.000 1.100 85 I HN 0.605 nan 8.210 nan 0.000 0.434 86 G N 1.585 110.446 108.800 0.102 0.000 2.718 86 G HA2 0.690 4.650 3.960 -0.000 0.000 0.295 86 G HA3 0.690 4.650 3.960 -0.000 0.000 0.295 86 G C -1.860 173.192 174.900 0.253 0.000 1.421 86 G CA -0.475 44.698 45.100 0.121 0.000 0.902 86 G HN 0.162 nan 8.290 nan 0.000 0.501 87 I N 1.093 121.785 120.570 0.202 0.000 2.692 87 I HA 0.520 4.690 4.170 -0.000 0.000 0.293 87 I C -1.767 174.470 176.117 0.200 0.000 1.200 87 I CA -0.831 60.585 61.300 0.194 0.000 1.036 87 I CB 2.473 40.535 38.000 0.104 0.000 1.258 87 I HN 0.802 nan 8.210 nan 0.000 0.421 88 D N 3.609 124.151 120.400 0.237 0.000 2.636 88 D HA 0.271 4.911 4.640 -0.000 0.000 0.275 88 D C 0.076 176.505 176.300 0.215 0.000 1.130 88 D CA -0.617 53.495 54.000 0.188 0.000 1.031 88 D CB 0.708 41.602 40.800 0.157 0.000 1.451 88 D HN 0.370 nan 8.370 nan 0.000 0.505 89 N N -1.004 117.773 118.700 0.130 0.000 2.348 89 N HA -0.106 4.634 4.740 -0.000 0.000 0.185 89 N C 0.150 175.573 175.510 -0.145 0.000 1.019 89 N CA 1.126 54.216 53.050 0.067 0.000 0.880 89 N CB -0.072 38.434 38.487 0.030 0.000 0.965 89 N HN 0.359 nan 8.380 nan 0.000 0.437 90 N N -1.527 117.123 118.700 -0.083 0.000 2.171 90 N HA 0.106 4.846 4.740 -0.000 0.000 0.212 90 N C -0.810 174.713 175.510 0.023 0.000 1.184 90 N CA 0.258 53.176 53.050 -0.219 0.000 0.888 90 N CB 1.189 39.612 38.487 -0.106 0.000 1.038 90 N HN 0.036 nan 8.380 nan 0.000 0.517 91 T N 0.745 115.487 114.554 0.314 0.000 3.032 91 T HA 0.491 4.841 4.350 -0.000 0.000 0.312 91 T C -0.586 174.225 174.700 0.185 0.000 1.078 91 T CA -0.483 61.755 62.100 0.231 0.000 1.028 91 T CB 2.210 71.093 68.868 0.024 0.000 1.091 91 T HN -0.115 nan 8.240 nan 0.000 0.457 92 L N 2.788 123.969 121.223 -0.070 0.000 2.362 92 L HA 0.581 4.921 4.340 -0.000 0.000 0.275 92 L C -1.317 175.392 176.870 -0.268 0.000 0.998 92 L CA -1.023 53.716 54.840 -0.169 0.000 0.820 92 L CB 1.424 43.276 42.059 -0.345 0.000 1.270 92 L HN 0.669 nan 8.230 nan 0.000 0.415 93 Y N 2.370 122.669 120.300 -0.002 0.000 2.342 93 Y HA 0.518 5.068 4.550 -0.000 0.000 0.338 93 Y C 0.316 176.210 175.900 -0.011 0.000 0.965 93 Y CA -0.790 57.316 58.100 0.010 0.000 1.159 93 Y CB 1.432 39.904 38.460 0.021 0.000 1.157 93 Y HN 0.637 nan 8.280 nan 0.000 0.486 94 C N 2.124 121.487 119.300 0.106 0.000 3.213 94 C HA 0.862 5.322 4.460 -0.000 0.000 0.319 94 C C -1.025 173.996 174.990 0.052 0.000 1.386 94 C CA -1.475 57.579 59.018 0.060 0.000 1.494 94 C CB 0.943 28.703 27.740 0.032 0.000 1.905 94 C HN 0.768 nan 8.230 nan 0.000 0.456 95 L N 2.094 123.319 121.223 0.003 0.000 2.313 95 L HA 0.624 4.964 4.340 -0.000 0.000 0.283 95 L C 0.756 177.516 176.870 -0.182 0.000 1.013 95 L CA -0.448 54.364 54.840 -0.046 0.000 0.816 95 L CB 1.494 43.534 42.059 -0.032 0.000 1.236 95 L HN 1.021 nan 8.230 nan 0.000 0.419 96 A N 6.077 128.718 122.820 -0.299 0.000 2.522 96 A HA 0.382 4.702 4.320 -0.000 0.000 0.256 96 A C -2.204 175.125 177.584 -0.426 0.000 1.086 96 A CA -0.675 50.937 52.037 -0.709 0.000 0.763 96 A CB -0.600 18.110 19.000 -0.483 0.000 1.024 96 A HN 0.397 nan 8.150 nan 0.000 0.502 97 P HA 0.252 nan 4.420 nan 0.000 0.278 97 P C -0.595 176.533 177.300 -0.287 0.000 1.266 97 P CA -0.775 62.157 63.100 -0.280 0.000 0.807 97 P CB 0.656 32.227 31.700 -0.216 0.000 1.094 98 R N 0.859 121.273 120.500 -0.143 0.000 2.537 98 R HA 0.068 4.407 4.340 -0.000 0.000 0.281 98 R C 0.743 176.876 176.300 -0.278 0.000 0.988 98 R CA 0.816 56.839 56.100 -0.129 0.000 1.077 98 R CB -0.244 30.057 30.300 0.001 0.000 0.932 98 R HN 0.590 nan 8.270 nan 0.000 0.409 99 Q N 1.752 121.261 119.800 -0.484 0.000 2.687 99 Q HA 0.297 4.637 4.340 -0.000 0.000 0.295 99 Q C -1.237 174.604 176.000 -0.265 0.000 0.920 99 Q CA -1.005 54.561 55.803 -0.396 0.000 0.766 99 Q CB 0.864 29.295 28.738 -0.512 0.000 1.467 99 Q HN 0.349 nan 8.270 nan 0.000 0.415 100 L N 2.202 123.386 121.223 -0.065 0.000 2.456 100 L HA 0.333 4.673 4.340 -0.000 0.000 0.272 100 L C -1.888 175.078 176.870 0.160 0.000 1.189 100 L CA -1.704 53.174 54.840 0.063 0.000 0.846 100 L CB 0.116 42.213 42.059 0.063 0.000 1.111 100 L HN 0.508 nan 8.230 nan 0.000 0.475 101 P HA 0.202 nan 4.420 nan 0.000 0.269 101 P C 0.130 177.531 177.300 0.167 0.000 1.215 101 P CA 0.298 63.552 63.100 0.257 0.000 0.780 101 P CB 0.922 32.716 31.700 0.156 0.000 0.898 102 G N 0.558 109.449 108.800 0.152 0.000 2.483 102 G HA2 0.190 4.150 3.960 -0.000 0.000 0.521 102 G HA3 0.190 4.150 3.960 -0.000 0.000 0.521 102 G C -0.257 174.717 174.900 0.124 0.000 1.278 102 G CA -0.505 44.655 45.100 0.101 0.000 0.965 102 G HN 0.645 nan 8.290 nan 0.000 0.504 103 G N 0.372 109.231 108.800 0.098 0.000 2.360 103 G HA2 0.494 4.454 3.960 -0.000 0.000 0.279 103 G HA3 0.494 4.454 3.960 -0.000 0.000 0.279 103 G C -0.279 174.704 174.900 0.138 0.000 1.189 103 G CA -0.141 45.031 45.100 0.119 0.000 0.941 103 G HN 0.687 nan 8.290 nan 0.000 0.445 104 N N 1.733 120.550 118.700 0.195 0.000 2.314 104 N HA 0.317 5.057 4.740 -0.000 0.000 0.294 104 N C 0.089 175.659 175.510 0.101 0.000 1.029 104 N CA -0.627 52.522 53.050 0.165 0.000 0.845 104 N CB 2.321 40.948 38.487 0.233 0.000 1.321 104 N HN 0.472 nan 8.380 nan 0.000 0.481 105 R N 0.987 121.499 120.500 0.021 0.000 2.679 105 R HA 0.431 4.771 4.340 -0.000 0.000 0.269 105 R C 0.129 176.289 176.300 -0.233 0.000 1.076 105 R CA -0.182 55.874 56.100 -0.074 0.000 1.160 105 R CB 0.914 31.195 30.300 -0.032 0.000 1.054 105 R HN 0.469 nan 8.270 nan 0.000 0.507 106 I N 1.461 121.789 120.570 -0.403 0.000 2.377 106 I HA 0.241 4.411 4.170 -0.000 0.000 0.293 106 I C 0.046 175.982 176.117 -0.301 0.000 0.987 106 I CA -0.453 60.499 61.300 -0.580 0.000 1.185 106 I CB 1.531 38.977 38.000 -0.924 0.000 1.341 106 I HN 0.367 nan 8.210 nan 0.000 0.455 107 K N 6.144 126.419 120.400 -0.208 0.000 2.274 107 K HA 0.642 4.962 4.320 -0.000 0.000 0.262 107 K C -1.628 174.939 176.600 -0.055 0.000 0.961 107 K CA -0.516 55.731 56.287 -0.066 0.000 0.833 107 K CB 1.779 34.293 32.500 0.023 0.000 1.102 107 K HN 0.401 nan 8.250 nan 0.000 0.436 108 V N 6.316 126.195 119.914 -0.058 0.000 2.417 108 V HA 0.444 4.564 4.120 -0.000 0.000 0.291 108 V C -0.269 175.822 176.094 -0.006 0.000 1.024 108 V CA -0.759 61.484 62.300 -0.095 0.000 0.861 108 V CB 1.381 33.103 31.823 -0.169 0.000 0.985 108 V HN 0.691 nan 8.190 nan 0.000 0.436 109 I N 5.114 125.684 120.570 -0.000 0.000 2.406 109 I HA 0.580 4.750 4.170 -0.000 0.000 0.290 109 I C -0.888 175.233 176.117 0.007 0.000 0.999 109 I CA -0.837 60.487 61.300 0.039 0.000 1.124 109 I CB 2.039 40.093 38.000 0.090 0.000 1.289 109 I HN 0.244 nan 8.210 nan 0.000 0.441 110 V N 4.395 124.338 119.914 0.048 0.000 2.482 110 V HA 0.223 4.343 4.120 -0.000 0.000 0.295 110 V C -0.058 176.056 176.094 0.033 0.000 1.026 110 V CA -0.432 61.888 62.300 0.033 0.000 0.856 110 V CB 1.423 33.322 31.823 0.127 0.000 1.001 110 V HN 0.948 nan 8.190 nan 0.000 0.424 111 D N 4.326 124.704 120.400 -0.038 0.000 2.689 111 D HA -0.160 4.480 4.640 -0.000 0.000 0.237 111 D C 1.268 177.596 176.300 0.047 0.000 1.148 111 D CA 2.131 56.113 54.000 -0.030 0.000 0.656 111 D CB -1.032 39.698 40.800 -0.117 0.000 1.050 111 D HN 1.548 nan 8.370 nan 0.000 0.426 112 G N -0.425 108.401 108.800 0.042 0.000 2.253 112 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.251 112 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.251 112 G C 0.360 175.297 174.900 0.063 0.000 0.998 112 G CA 0.439 45.569 45.100 0.051 0.000 0.621 112 G HN 0.608 nan 8.290 nan 0.000 0.524 113 K N 1.282 121.734 120.400 0.086 0.000 2.276 113 K HA 0.486 4.806 4.320 -0.000 0.000 0.285 113 K C -0.213 176.438 176.600 0.084 0.000 1.062 113 K CA -0.187 56.156 56.287 0.094 0.000 0.918 113 K CB 1.393 33.974 32.500 0.134 0.000 1.055 113 K HN 0.373 nan 8.250 nan 0.000 0.477 114 E N 2.979 123.217 120.200 0.064 0.000 2.158 114 E HA 0.318 4.668 4.350 -0.000 0.000 0.271 114 E C -1.294 175.336 176.600 0.049 0.000 0.911 114 E CA -0.949 55.483 56.400 0.053 0.000 0.767 114 E CB 1.382 31.103 29.700 0.035 0.000 1.120 114 E HN 0.381 nan 8.360 nan 0.000 0.405 115 V N 0.848 120.792 119.914 0.049 0.000 2.709 115 V HA 0.655 4.775 4.120 -0.000 0.000 0.308 115 V C -0.517 175.590 176.094 0.020 0.000 1.062 115 V CA -0.675 61.652 62.300 0.045 0.000 0.901 115 V CB 1.790 33.658 31.823 0.075 0.000 1.003 115 V HN 0.580 nan 8.190 nan 0.000 0.425 116 T N 3.000 117.562 114.554 0.014 0.000 2.829 116 T HA 0.611 4.961 4.350 -0.000 0.000 0.280 116 T C 0.316 175.024 174.700 0.013 0.000 0.999 116 T CA -0.096 61.999 62.100 -0.008 0.000 0.983 116 T CB 1.522 70.383 68.868 -0.012 0.000 0.968 116 T HN 1.205 nan 8.240 nan 0.000 0.446 117 T N 0.643 115.199 114.554 0.003 0.000 2.900 117 T HA 0.131 4.481 4.350 -0.000 0.000 0.307 117 T C 0.690 175.445 174.700 0.091 0.000 1.065 117 T CA -0.531 61.614 62.100 0.076 0.000 1.105 117 T CB 0.633 69.573 68.868 0.119 0.000 0.979 117 T HN 0.396 nan 8.240 nan 0.000 0.544 118 D N 1.827 122.297 120.400 0.118 0.000 2.123 118 D HA 0.094 4.734 4.640 -0.000 0.000 0.200 118 D C 1.415 177.796 176.300 0.135 0.000 0.976 118 D CA 1.070 55.129 54.000 0.099 0.000 0.831 118 D CB -0.715 40.131 40.800 0.077 0.000 0.974 118 D HN 0.802 nan 8.370 nan 0.000 0.469 119 G N -0.086 108.850 108.800 0.227 0.000 2.562 119 G HA2 0.421 4.381 3.960 -0.000 0.000 0.275 119 G HA3 0.421 4.381 3.960 -0.000 0.000 0.275 119 G C -0.118 175.005 174.900 0.372 0.000 1.196 119 G CA -0.226 45.053 45.100 0.298 0.000 0.908 119 G HN 0.165 nan 8.290 nan 0.000 0.524 120 T N -2.436 112.344 114.554 0.377 0.000 2.887 120 T HA 0.574 4.924 4.350 -0.000 0.000 0.288 120 T C -0.998 173.976 174.700 0.456 0.000 1.021 120 T CA -0.703 61.576 62.100 0.299 0.000 1.000 120 T CB 1.842 70.819 68.868 0.182 0.000 1.034 120 T HN 0.398 nan 8.240 nan 0.000 0.467 121 F N 2.513 122.562 119.950 0.164 0.000 2.404 121 F HA 0.500 5.027 4.527 -0.000 0.000 0.354 121 F C 0.406 176.347 175.800 0.234 0.000 1.122 121 F CA -0.942 57.206 58.000 0.246 0.000 1.080 121 F CB 1.029 40.112 39.000 0.138 0.000 1.131 121 F HN 0.513 nan 8.300 nan 0.000 0.471 122 K N 7.307 127.537 120.400 -0.283 0.000 2.273 122 K HA 0.073 4.393 4.320 -0.000 0.000 0.287 122 K C -1.553 174.865 176.600 -0.304 0.000 1.089 122 K CA -0.337 55.844 56.287 -0.176 0.000 0.909 122 K CB 0.271 32.705 32.500 -0.110 0.000 1.123 122 K HN 0.790 nan 8.250 nan 0.000 0.473 123 Y N 2.869 123.083 120.300 -0.144 0.000 2.316 123 Y HA 0.091 4.641 4.550 -0.000 0.000 0.331 123 Y C -0.093 175.788 175.900 -0.030 0.000 1.083 123 Y CA -0.244 57.833 58.100 -0.039 0.000 1.206 123 Y CB 0.880 39.430 38.460 0.151 0.000 1.195 123 Y HN 0.558 nan 8.280 nan 0.000 0.497 124 E N 6.467 126.355 120.200 -0.519 0.000 2.113 124 E HA 0.162 4.512 4.350 -0.000 0.000 0.273 124 E C -1.181 175.084 176.600 -0.558 0.000 0.924 124 E CA -0.672 55.502 56.400 -0.377 0.000 0.764 124 E CB 0.847 30.384 29.700 -0.270 0.000 1.104 124 E HN 0.784 nan 8.360 nan 0.000 0.406 125 Q N 3.138 122.811 119.800 -0.212 0.000 2.235 125 Q HA 0.550 4.890 4.340 -0.000 0.000 0.250 125 Q C -1.421 174.551 176.000 -0.046 0.000 0.909 125 Q CA -0.584 55.190 55.803 -0.048 0.000 0.910 125 Q CB 1.492 30.329 28.738 0.165 0.000 1.223 125 Q HN 0.593 nan 8.270 nan 0.000 0.432 126 A N 3.822 126.628 122.820 -0.023 0.000 2.337 126 A HA 0.549 4.869 4.320 -0.000 0.000 0.329 126 A C -1.128 176.454 177.584 -0.003 0.000 1.146 126 A CA -0.544 51.481 52.037 -0.019 0.000 0.800 126 A CB 1.383 20.363 19.000 -0.033 0.000 1.220 126 A HN 0.824 nan 8.150 nan 0.000 0.472 127 Q N 1.034 120.838 119.800 0.005 0.000 2.359 127 Q HA 0.486 4.826 4.340 -0.000 0.000 0.274 127 Q C -1.390 174.629 176.000 0.032 0.000 1.074 127 Q CA -0.815 54.991 55.803 0.005 0.000 0.810 127 Q CB 2.839 31.628 28.738 0.085 0.000 1.342 127 Q HN 0.822 nan 8.270 nan 0.000 0.427 128 N N 0.830 119.548 118.700 0.030 0.000 2.446 128 N HA 0.344 5.084 4.740 -0.000 0.000 0.272 128 N C -1.937 173.639 175.510 0.109 0.000 1.127 128 N CA -0.202 52.878 53.050 0.050 0.000 0.896 128 N CB 2.367 40.853 38.487 -0.002 0.000 1.658 128 N HN 0.297 nan 8.380 nan 0.000 0.483 129 V N 2.126 122.096 119.914 0.093 0.000 2.417 129 V HA 0.534 4.654 4.120 -0.000 0.000 0.291 129 V C 0.046 176.134 176.094 -0.009 0.000 1.024 129 V CA -0.435 61.909 62.300 0.073 0.000 0.861 129 V CB 1.183 32.996 31.823 -0.017 0.000 0.985 129 V HN 0.762 nan 8.190 nan 0.000 0.436 130 S N 2.477 118.168 115.700 -0.015 0.000 2.599 130 S HA 0.666 5.136 4.470 -0.000 0.000 0.287 130 S C -0.496 174.096 174.600 -0.014 0.000 1.105 130 S CA -0.752 57.432 58.200 -0.027 0.000 0.899 130 S CB 2.042 65.221 63.200 -0.035 0.000 1.100 130 S HN 0.537 nan 8.310 nan 0.000 0.482 131 T N 2.850 117.402 114.554 -0.002 0.000 2.767 131 T HA 0.368 4.718 4.350 -0.000 0.000 0.288 131 T C 1.045 175.768 174.700 0.038 0.000 0.963 131 T CA -0.675 61.438 62.100 0.022 0.000 1.019 131 T CB 0.486 69.367 68.868 0.023 0.000 0.923 131 T HN 0.525 nan 8.240 nan 0.000 0.468 132 I N 1.475 122.080 120.570 0.058 0.000 2.339 132 I HA 0.114 4.284 4.170 -0.000 0.000 0.245 132 I C 1.275 177.460 176.117 0.113 0.000 1.096 132 I CA 0.901 62.262 61.300 0.102 0.000 1.408 132 I CB -0.339 37.770 38.000 0.181 0.000 1.092 132 I HN 0.537 nan 8.210 nan 0.000 0.423 133 S N -1.419 114.340 115.700 0.098 0.000 2.565 133 S HA 0.565 5.035 4.470 -0.000 0.000 0.274 133 S C -0.491 174.214 174.600 0.175 0.000 1.144 133 S CA 0.136 58.450 58.200 0.190 0.000 0.849 133 S CB 1.354 64.751 63.200 0.328 0.000 1.103 133 S HN 0.803 nan 8.310 nan 0.000 0.455 134 G N 1.533 110.529 108.800 0.326 0.000 2.756 134 G HA2 0.322 4.282 3.960 -0.000 0.000 0.678 134 G HA3 0.322 4.282 3.960 -0.000 0.000 0.678 134 G C -0.430 174.567 174.900 0.162 0.000 1.349 134 G CA 0.058 45.362 45.100 0.340 0.000 0.847 134 G HN 1.797 nan 8.290 nan 0.000 0.548 135 S N -1.391 114.399 115.700 0.150 0.000 2.558 135 S HA 0.784 5.254 4.470 -0.000 0.000 0.277 135 S C 1.070 175.729 174.600 0.099 0.000 1.143 135 S CA 0.778 59.037 58.200 0.098 0.000 0.865 135 S CB 1.042 64.291 63.200 0.081 0.000 1.102 135 S HN 2.444 nan 8.310 nan 0.000 0.454 136 A N 2.315 125.186 122.820 0.085 0.000 2.076 136 A HA -0.003 4.317 4.320 -0.000 0.000 0.220 136 A C 2.012 179.642 177.584 0.078 0.000 1.160 136 A CA 2.191 54.283 52.037 0.092 0.000 0.653 136 A CB -0.958 18.094 19.000 0.088 0.000 0.801 136 A HN 1.608 nan 8.150 nan 0.000 0.455 137 S N -1.156 114.582 115.700 0.063 0.000 2.603 137 S HA 0.145 4.615 4.470 -0.000 0.000 0.220 137 S C 0.452 175.082 174.600 0.050 0.000 0.967 137 S CA -0.015 58.214 58.200 0.049 0.000 0.920 137 S CB -0.119 63.104 63.200 0.038 0.000 0.773 137 S HN 0.465 nan 8.310 nan 0.000 0.529 138 K N 2.135 122.575 120.400 0.066 0.000 2.626 138 K HA 0.246 4.566 4.320 -0.000 0.000 0.223 138 K C -1.711 174.927 176.600 0.064 0.000 0.992 138 K CA -0.243 56.079 56.287 0.059 0.000 1.024 138 K CB 1.016 33.555 32.500 0.065 0.000 1.225 138 K HN 0.242 nan 8.250 nan 0.000 0.498 139 D N 2.091 122.519 120.400 0.046 0.000 2.274 139 D HA 0.477 5.117 4.640 -0.000 0.000 0.239 139 D C -0.250 176.054 176.300 0.007 0.000 1.104 139 D CA 0.130 54.156 54.000 0.043 0.000 0.840 139 D CB 1.479 42.310 40.800 0.051 0.000 1.100 139 D HN 0.714 nan 8.370 nan 0.000 0.477 140 G N 2.839 111.630 108.800 -0.015 0.000 2.322 140 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.295 140 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.295 140 G C -0.230 174.608 174.900 -0.103 0.000 1.369 140 G CA -0.587 44.480 45.100 -0.055 0.000 0.821 140 G HN 0.441 nan 8.290 nan 0.000 0.536 141 N N 0.072 118.699 118.700 -0.121 0.000 2.187 141 N HA 0.143 4.883 4.740 -0.000 0.000 0.212 141 N C -0.716 174.669 175.510 -0.208 0.000 1.152 141 N CA -0.033 52.921 53.050 -0.160 0.000 0.872 141 N CB 0.701 39.126 38.487 -0.103 0.000 1.025 141 N HN 0.491 nan 8.380 nan 0.000 0.514 142 D N 1.774 122.053 120.400 -0.202 0.000 2.487 142 D HA 0.013 4.653 4.640 -0.000 0.000 0.243 142 D C 0.377 176.537 176.300 -0.234 0.000 1.154 142 D CA 0.680 54.575 54.000 -0.175 0.000 0.876 142 D CB 0.728 41.447 40.800 -0.136 0.000 1.161 142 D HN 0.023 nan 8.370 nan 0.000 0.478 143 D N 0.605 120.908 120.400 -0.162 0.000 2.414 143 D HA 0.616 5.256 4.640 -0.000 0.000 0.251 143 D C 1.160 177.401 176.300 -0.098 0.000 1.252 143 D CA -0.154 53.764 54.000 -0.137 0.000 0.999 143 D CB 1.173 41.923 40.800 -0.083 0.000 1.093 143 D HN 0.471 nan 8.370 nan 0.000 0.515 144 G N -0.418 108.346 108.800 -0.061 0.000 2.470 144 G HA2 0.101 4.061 3.960 -0.000 0.000 0.145 144 G HA3 0.101 4.061 3.960 -0.000 0.000 0.145 144 G C -1.346 173.549 174.900 -0.008 0.000 1.223 144 G CA 0.072 45.152 45.100 -0.033 0.000 1.058 144 G HN 0.579 nan 8.290 nan 0.000 0.469 145 D N 0.084 120.487 120.400 0.004 0.000 2.549 145 D HA 0.572 5.212 4.640 -0.000 0.000 0.270 145 D C 1.872 178.200 176.300 0.048 0.000 1.181 145 D CA -0.658 53.358 54.000 0.026 0.000 1.070 145 D CB 0.373 41.188 40.800 0.025 0.000 1.154 145 D HN 0.379 nan 8.370 nan 0.000 0.602 146 L N -0.418 120.846 121.223 0.068 0.000 2.083 146 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 146 L C 2.433 179.364 176.870 0.102 0.000 1.083 146 L CA 1.799 56.702 54.840 0.103 0.000 0.752 146 L CB -0.633 41.487 42.059 0.102 0.000 0.899 146 L HN 0.583 nan 8.230 nan 0.000 0.433 147 A N -1.212 121.649 122.820 0.068 0.000 2.016 147 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 147 A C 2.389 180.001 177.584 0.046 0.000 1.162 147 A CA 1.488 53.561 52.037 0.059 0.000 0.662 147 A CB -0.231 18.795 19.000 0.043 0.000 0.812 147 A HN 0.355 nan 8.150 nan 0.000 0.450 148 S N -0.291 115.425 115.700 0.027 0.000 2.486 148 S HA 0.416 4.886 4.470 -0.000 0.000 0.220 148 S C 1.123 175.704 174.600 -0.032 0.000 1.011 148 S CA 0.230 58.431 58.200 0.000 0.000 0.921 148 S CB -0.173 63.022 63.200 -0.008 0.000 0.785 148 S HN 0.722 nan 8.310 nan 0.000 0.517 149 A N 2.107 124.904 122.820 -0.038 0.000 2.425 149 A HA 0.422 4.742 4.320 -0.000 0.000 0.242 149 A C 0.282 177.736 177.584 -0.217 0.000 1.077 149 A CA 0.189 52.120 52.037 -0.176 0.000 0.781 149 A CB 0.288 19.171 19.000 -0.195 0.000 1.020 149 A HN 0.345 nan 8.150 nan 0.000 0.494 150 K N -0.230 119.909 120.400 -0.435 0.000 2.443 150 K HA 0.726 5.046 4.320 -0.000 0.000 0.251 150 K C -1.635 174.544 176.600 -0.701 0.000 0.972 150 K CA -0.347 55.751 56.287 -0.315 0.000 0.833 150 K CB 1.909 34.325 32.500 -0.140 0.000 1.317 150 K HN 0.565 nan 8.250 nan 0.000 0.441 151 F N 0.265 120.208 119.950 -0.012 0.000 2.650 151 F HA 0.506 5.033 4.527 0.000 0.000 0.320 151 F C 0.175 175.953 175.800 -0.036 0.000 1.091 151 F CA -0.959 57.025 58.000 -0.027 0.000 0.962 151 F CB 1.682 40.669 39.000 -0.021 0.000 1.363 151 F HN 0.168 nan 8.300 nan 0.000 0.482 152 K N -0.494 119.989 120.400 0.139 0.000 2.307 152 K HA 0.364 4.684 4.320 -0.000 0.000 0.239 152 K C -0.994 175.600 176.600 -0.010 0.000 1.083 152 K CA -1.058 55.249 56.287 0.033 0.000 0.913 152 K CB 1.187 33.660 32.500 -0.044 0.000 1.322 152 K HN 0.498 nan 8.250 nan 0.000 0.514 156 G N 1.300 110.454 108.800 0.591 0.000 2.742 156 G HA2 0.661 4.620 3.960 -0.000 0.000 0.296 156 G HA3 0.661 4.620 3.960 -0.000 0.000 0.296 156 G C -2.037 173.096 174.900 0.390 0.000 1.436 156 G CA -0.648 44.683 45.100 0.385 0.000 0.928 156 G HN 0.470 nan 8.290 nan 0.000 0.520 157 I N 0.363 121.092 120.570 0.266 0.000 2.775 157 I HA 0.728 4.898 4.170 -0.000 0.000 0.295 157 I C -0.836 175.378 176.117 0.161 0.000 1.287 157 I CA -1.034 60.411 61.300 0.242 0.000 1.029 157 I CB 2.155 40.264 38.000 0.183 0.000 1.282 157 I HN 0.847 nan 8.210 nan 0.000 0.426 158 A N 5.745 128.628 122.820 0.105 0.000 2.330 158 A HA 0.875 5.195 4.320 -0.000 0.000 0.313 158 A C -0.658 176.820 177.584 -0.177 0.000 1.124 158 A CA -0.420 51.613 52.037 -0.006 0.000 0.774 158 A CB 1.333 20.329 19.000 -0.008 0.000 1.198 158 A HN 0.889 nan 8.150 nan 0.000 0.465 159 A N 2.038 124.746 122.820 -0.187 0.000 2.269 159 A HA 0.513 4.833 4.320 -0.000 0.000 0.302 159 A C 0.663 178.055 177.584 -0.321 0.000 1.266 159 A CA 0.123 51.928 52.037 -0.386 0.000 0.894 159 A CB -0.040 18.770 19.000 -0.316 0.000 1.147 159 A HN 1.933 nan 8.150 nan 0.000 0.537 160 V N 1.092 120.761 119.914 -0.409 0.000 3.214 160 V HA 0.598 4.718 4.120 -0.000 0.000 0.330 160 V C 0.751 176.749 176.094 -0.159 0.000 1.403 160 V CA 0.282 62.413 62.300 -0.282 0.000 1.143 160 V CB -1.327 30.181 31.823 -0.525 0.000 1.098 160 V HN 2.298 nan 8.190 nan 0.000 0.463 161 G N 1.130 109.798 108.800 -0.220 0.000 2.796 161 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.571 161 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.571 161 G C -0.028 174.801 174.900 -0.119 0.000 1.370 161 G CA -0.267 44.750 45.100 -0.137 0.000 0.856 161 G HN 0.973 nan 8.290 nan 0.000 0.538 162 N N 0.174 118.843 118.700 -0.052 0.000 2.721 162 N HA -0.214 4.526 4.740 -0.000 0.000 0.249 162 N C 0.735 176.223 175.510 -0.036 0.000 1.072 162 N CA 1.688 54.726 53.050 -0.020 0.000 0.710 162 N CB -0.952 37.537 38.487 0.002 0.000 0.993 162 N HN 1.416 nan 8.380 nan 0.000 0.547 163 N N -2.139 116.535 118.700 -0.045 0.000 2.747 163 N HA -0.160 4.580 4.740 -0.000 0.000 0.249 163 N C -0.904 174.430 175.510 -0.294 0.000 1.107 163 N CA 1.656 54.703 53.050 -0.007 0.000 0.707 163 N CB -1.329 37.266 38.487 0.180 0.000 1.054 163 N HN 0.445 nan 8.380 nan 0.000 0.555 164 T N -0.470 113.796 114.554 -0.480 0.000 2.861 164 T HA 0.717 5.067 4.350 -0.000 0.000 0.287 164 T C 0.183 174.473 174.700 -0.683 0.000 1.003 164 T CA -0.595 61.233 62.100 -0.452 0.000 0.977 164 T CB 2.687 71.405 68.868 -0.250 0.000 0.996 164 T HN 0.157 nan 8.240 nan 0.000 0.448 165 V N 0.640 120.199 119.914 -0.592 0.000 3.007 165 V HA 0.837 4.957 4.120 -0.000 0.000 0.311 165 V C -1.598 174.247 176.094 -0.415 0.000 1.120 165 V CA -1.271 60.707 62.300 -0.538 0.000 0.980 165 V CB 1.684 33.229 31.823 -0.463 0.000 1.033 165 V HN 0.600 nan 8.190 nan 0.000 0.429 166 L N 3.331 124.317 121.223 -0.395 0.000 2.295 166 L HA 0.921 5.261 4.340 -0.000 0.000 0.285 166 L C 0.449 177.212 176.870 -0.180 0.000 1.035 166 L CA -0.020 54.604 54.840 -0.360 0.000 0.806 166 L CB 1.251 43.044 42.059 -0.443 0.000 1.214 166 L HN 1.148 nan 8.230 nan 0.000 0.426 167 A N 2.952 125.637 122.820 -0.226 0.000 2.386 167 A HA 0.792 5.112 4.320 -0.000 0.000 0.311 167 A C -1.700 175.779 177.584 -0.175 0.000 1.068 167 A CA -0.422 51.590 52.037 -0.041 0.000 0.743 167 A CB 0.828 19.813 19.000 -0.023 0.000 1.258 167 A HN 0.493 nan 8.150 nan 0.000 0.429 168 Y N 1.265 121.635 120.300 0.117 0.000 2.345 168 Y HA 0.380 4.930 4.550 0.001 0.000 0.331 168 Y C 0.543 176.519 175.900 0.125 0.000 0.959 168 Y CA -0.234 57.972 58.100 0.178 0.000 1.204 168 Y CB 1.545 40.188 38.460 0.304 0.000 1.135 168 Y HN 0.689 nan 8.280 nan 0.000 0.477 169 Q N 2.708 122.553 119.800 0.075 0.000 2.293 169 Q HA 0.270 4.610 4.340 -0.000 0.000 0.251 169 Q C 1.178 176.931 176.000 -0.411 0.000 0.930 169 Q CA -0.449 55.273 55.803 -0.134 0.000 0.893 169 Q CB 1.770 30.447 28.738 -0.102 0.000 1.215 169 Q HN 0.729 nan 8.270 nan 0.000 0.425 170 R N 1.494 121.453 120.500 -0.903 0.000 2.055 170 R HA -0.045 4.295 4.340 -0.000 0.000 0.226 170 R C -0.400 175.396 176.300 -0.840 0.000 1.135 170 R CA 0.938 56.188 56.100 -1.418 0.000 0.959 170 R CB 0.482 29.425 30.300 -2.262 0.000 0.854 170 R HN 0.637 nan 8.270 nan 0.000 0.431 171 D N 1.571 121.589 120.400 -0.637 0.000 2.210 171 D HA 0.105 4.745 4.640 -0.000 0.000 0.249 171 D C -0.677 175.468 176.300 -0.258 0.000 1.078 171 D CA 0.006 53.756 54.000 -0.417 0.000 0.875 171 D CB 1.195 41.782 40.800 -0.355 0.000 1.175 171 D HN 0.086 nan 8.370 nan 0.000 0.440 172 D N 1.293 121.576 120.400 -0.195 0.000 2.802 172 D HA -0.119 4.521 4.640 -0.000 0.000 0.229 172 D C -2.224 173.993 176.300 -0.137 0.000 1.203 172 D CA 0.158 54.079 54.000 -0.133 0.000 0.712 172 D CB -0.888 39.854 40.800 -0.096 0.000 0.973 172 D HN 0.272 nan 8.370 nan 0.000 0.407 173 P HA 0.043 nan 4.420 nan 0.000 0.264 173 P C 0.299 177.551 177.300 -0.081 0.000 1.193 173 P CA 0.478 63.482 63.100 -0.161 0.000 0.763 173 P CB 0.739 32.329 31.700 -0.183 0.000 0.810 174 R N 0.463 120.937 120.500 -0.043 0.000 2.741 174 R HA 0.573 4.913 4.340 -0.000 0.000 0.276 174 R C -1.912 174.375 176.300 -0.023 0.000 1.028 174 R CA -1.090 55.004 56.100 -0.009 0.000 0.865 174 R CB 0.362 30.648 30.300 -0.023 0.000 1.268 174 R HN 0.093 nan 8.270 nan 0.000 0.475 175 V N 2.278 122.155 119.914 -0.062 0.000 2.357 175 V HA 0.500 4.620 4.120 -0.000 0.000 0.284 175 V C -0.213 175.757 176.094 -0.206 0.000 1.018 175 V CA -0.905 61.208 62.300 -0.310 0.000 0.841 175 V CB 1.255 32.800 31.823 -0.464 0.000 0.991 175 V HN 0.545 nan 8.190 nan 0.000 0.437 176 R N 3.670 124.052 120.500 -0.197 0.000 2.540 176 R HA 0.638 4.978 4.340 -0.000 0.000 0.287 176 R C -0.920 175.310 176.300 -0.116 0.000 0.980 176 R CA -0.903 55.159 56.100 -0.063 0.000 0.966 176 R CB 2.060 32.438 30.300 0.130 0.000 1.106 176 R HN 0.548 nan 8.270 nan 0.000 0.480 177 L N 3.017 124.200 121.223 -0.067 0.000 2.319 177 L HA 0.503 4.843 4.340 -0.000 0.000 0.281 177 L C -1.183 175.665 176.870 -0.037 0.000 1.005 177 L CA -0.435 54.343 54.840 -0.105 0.000 0.828 177 L CB 1.100 43.119 42.059 -0.066 0.000 1.227 177 L HN 0.492 nan 8.230 nan 0.000 0.415 178 I N 4.014 124.545 120.570 -0.066 0.000 2.382 178 I HA 0.421 4.591 4.170 -0.000 0.000 0.286 178 I C -0.103 175.977 176.117 -0.062 0.000 1.002 178 I CA -0.051 61.246 61.300 -0.004 0.000 1.135 178 I CB 1.881 39.908 38.000 0.044 0.000 1.288 178 I HN 0.605 nan 8.210 nan 0.000 0.448 179 S N 5.191 120.884 115.700 -0.012 0.000 2.520 179 S HA 0.380 4.850 4.470 -0.000 0.000 0.324 179 S C 0.967 175.588 174.600 0.034 0.000 1.069 179 S CA -0.609 57.583 58.200 -0.014 0.000 1.121 179 S CB 0.958 64.162 63.200 0.008 0.000 0.971 179 S HN 0.402 nan 8.310 nan 0.000 0.463 180 V N 4.383 124.332 119.914 0.058 0.000 2.358 180 V HA -0.082 4.038 4.120 -0.000 0.000 0.246 180 V C 1.829 177.970 176.094 0.080 0.000 1.047 180 V CA 1.901 64.267 62.300 0.110 0.000 1.035 180 V CB -0.441 31.504 31.823 0.202 0.000 0.658 180 V HN 0.731 nan 8.190 nan 0.000 0.452 181 D N -0.073 120.366 120.400 0.065 0.000 2.219 181 D HA -0.109 4.531 4.640 -0.000 0.000 0.205 181 D C 1.592 177.916 176.300 0.040 0.000 0.970 181 D CA 0.983 55.014 54.000 0.051 0.000 0.851 181 D CB -0.261 40.565 40.800 0.044 0.000 0.943 181 D HN 0.449 nan 8.370 nan 0.000 0.488 182 D N 0.195 120.618 120.400 0.038 0.000 2.340 182 D HA -0.055 4.585 4.640 -0.000 0.000 0.220 182 D C 0.215 176.537 176.300 0.035 0.000 1.039 182 D CA 0.028 54.048 54.000 0.033 0.000 0.866 182 D CB -0.192 40.626 40.800 0.031 0.000 0.913 182 D HN 0.027 nan 8.370 nan 0.000 0.523 183 N N 1.349 120.076 118.700 0.044 0.000 2.705 183 N HA -0.239 4.500 4.740 -0.000 0.000 0.255 183 N C -0.881 174.655 175.510 0.043 0.000 1.008 183 N CA 0.662 53.741 53.050 0.047 0.000 0.742 183 N CB -1.080 37.431 38.487 0.039 0.000 0.906 183 N HN 0.250 nan 8.380 nan 0.000 0.541 184 K N 0.082 120.510 120.400 0.047 0.000 2.535 184 K HA 0.561 4.881 4.320 -0.000 0.000 0.251 184 K C -1.518 175.109 176.600 0.045 0.000 0.942 184 K CA -0.778 55.532 56.287 0.037 0.000 0.798 184 K CB 1.509 34.027 32.500 0.030 0.000 1.267 184 K HN -0.039 nan 8.250 nan 0.000 0.434 185 V N 3.307 123.243 119.914 0.037 0.000 2.444 185 V HA 0.503 4.623 4.120 -0.000 0.000 0.294 185 V C -0.220 175.874 176.094 -0.000 0.000 1.022 185 V CA -0.532 61.792 62.300 0.041 0.000 0.850 185 V CB 1.528 33.383 31.823 0.054 0.000 0.992 185 V HN 1.008 nan 8.190 nan 0.000 0.426 186 T N 0.477 115.033 114.554 0.003 0.000 2.864 186 T HA 0.651 5.001 4.350 -0.000 0.000 0.289 186 T C -0.444 174.248 174.700 -0.014 0.000 1.082 186 T CA -0.787 61.308 62.100 -0.009 0.000 1.009 186 T CB 2.189 71.062 68.868 0.009 0.000 1.234 186 T HN 0.417 nan 8.240 nan 0.000 0.526 187 T N 1.713 116.259 114.554 -0.014 0.000 2.786 187 T HA 0.473 4.823 4.350 -0.000 0.000 0.283 187 T C 1.290 176.000 174.700 0.018 0.000 0.992 187 T CA -0.474 61.620 62.100 -0.010 0.000 0.954 187 T CB 1.249 70.106 68.868 -0.018 0.000 0.934 187 T HN 0.822 nan 8.240 nan 0.000 0.440 188 V N 0.298 120.229 119.914 0.028 0.000 3.590 188 V HA 0.360 4.480 4.120 -0.000 0.000 0.265 188 V C 0.570 176.740 176.094 0.127 0.000 1.239 188 V CA 0.575 62.916 62.300 0.069 0.000 1.117 188 V CB -0.528 31.353 31.823 0.096 0.000 0.818 188 V HN 1.006 nan 8.190 nan 0.000 0.451 189 H N 1.223 120.296 119.070 0.005 0.000 2.661 189 H HA 0.412 4.968 4.556 -0.000 0.000 0.243 189 H C -3.064 172.288 175.328 0.040 0.000 1.410 189 H CA -1.915 54.146 56.048 0.022 0.000 1.509 189 H CB 1.751 31.544 29.762 0.051 0.000 1.761 189 H HN 0.266 nan 8.280 nan 0.000 0.576 190 P HA 0.109 nan 4.420 nan 0.000 0.268 190 P C 0.966 178.292 177.300 0.043 0.000 1.204 190 P CA 1.493 64.633 63.100 0.066 0.000 0.768 190 P CB 1.110 32.843 31.700 0.055 0.000 0.842 191 G N 2.127 110.924 108.800 -0.004 0.000 2.234 191 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.235 191 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.235 191 G C -0.081 174.800 174.900 -0.031 0.000 0.997 191 G CA -0.402 44.692 45.100 -0.009 0.000 0.623 191 G HN 0.541 nan 8.290 nan 0.000 0.514 192 F N 2.633 122.400 119.950 -0.305 0.000 2.467 192 F HA 0.637 5.164 4.527 -0.000 0.000 0.362 192 F C 0.513 176.287 175.800 -0.043 0.000 1.090 192 F CA -0.505 57.305 58.000 -0.317 0.000 1.202 192 F CB 0.926 39.422 39.000 -0.839 0.000 1.113 192 F HN 0.036 nan 8.300 nan 0.000 0.541 193 K N 5.167 125.119 120.400 -0.746 0.000 2.404 193 K HA 0.608 4.928 4.320 -0.000 0.000 0.257 193 K C -0.515 175.702 176.600 -0.638 0.000 1.026 193 K CA -0.456 55.570 56.287 -0.434 0.000 0.951 193 K CB 0.584 33.012 32.500 -0.120 0.000 1.203 193 K HN 0.898 nan 8.250 nan 0.000 0.446 194 G N 1.419 110.024 108.800 -0.326 0.000 2.642 194 G HA2 0.600 4.560 3.960 -0.000 0.000 0.293 194 G HA3 0.600 4.560 3.960 -0.000 0.000 0.293 194 G C -0.398 174.607 174.900 0.175 0.000 1.341 194 G CA -0.824 44.272 45.100 -0.007 0.000 0.916 194 G HN 0.637 nan 8.290 nan 0.000 0.474 195 G N -0.669 108.056 108.800 -0.125 0.000 3.365 195 G HA2 0.413 4.373 3.960 -0.000 0.000 0.185 195 G HA3 0.413 4.373 3.960 -0.000 0.000 0.185 195 G C 0.039 174.839 174.900 -0.167 0.000 1.565 195 G CA -0.479 44.388 45.100 -0.389 0.000 0.984 195 G HN 0.674 nan 8.290 nan 0.000 0.604 196 K N 2.337 122.733 120.400 -0.008 0.000 2.379 196 K HA 0.242 4.561 4.320 -0.000 0.000 0.284 196 K C -2.190 174.406 176.600 -0.008 0.000 1.044 196 K CA -1.062 55.282 56.287 0.095 0.000 0.974 196 K CB 1.056 33.766 32.500 0.349 0.000 0.962 196 K HN 0.106 nan 8.250 nan 0.000 0.474 197 P HA 0.228 nan 4.420 nan 0.000 0.283 197 P C -1.505 175.888 177.300 0.155 0.000 1.278 197 P CA -0.713 62.389 63.100 0.003 0.000 0.834 197 P CB 1.446 33.097 31.700 -0.082 0.000 1.150 198 A N 0.720 123.689 122.820 0.248 0.000 2.324 198 A HA 0.621 4.941 4.320 -0.000 0.000 0.330 198 A C -0.617 177.143 177.584 0.294 0.000 1.165 198 A CA -0.648 51.563 52.037 0.290 0.000 0.813 198 A CB 0.687 19.891 19.000 0.340 0.000 1.197 198 A HN 0.300 nan 8.150 nan 0.000 0.484 199 V N 1.884 121.940 119.914 0.237 0.000 2.555 199 V HA 0.516 4.636 4.120 -0.000 0.000 0.302 199 V C 0.697 176.913 176.094 0.204 0.000 1.038 199 V CA -0.340 62.074 62.300 0.189 0.000 0.887 199 V CB 1.669 33.554 31.823 0.102 0.000 0.991 199 V HN 1.096 nan 8.190 nan 0.000 0.434 200 T N 1.104 115.782 114.554 0.207 0.000 2.860 200 T HA 0.137 4.487 4.350 -0.000 0.000 0.299 200 T C 1.257 176.028 174.700 0.118 0.000 1.045 200 T CA -0.336 61.873 62.100 0.183 0.000 1.071 200 T CB 1.058 70.039 68.868 0.188 0.000 0.985 200 T HN 0.411 nan 8.240 nan 0.000 0.537 201 K N 0.980 121.433 120.400 0.089 0.000 2.063 201 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 201 K C 1.895 178.518 176.600 0.038 0.000 1.048 201 K CA 1.790 58.107 56.287 0.050 0.000 0.928 201 K CB -1.045 31.474 32.500 0.031 0.000 0.713 201 K HN 0.992 nan 8.250 nan 0.000 0.442 202 D N -0.504 119.925 120.400 0.049 0.000 2.349 202 D HA -0.042 4.598 4.640 -0.000 0.000 0.224 202 D C 0.220 176.555 176.300 0.058 0.000 1.029 202 D CA 0.354 54.378 54.000 0.039 0.000 0.879 202 D CB -0.318 40.501 40.800 0.033 0.000 0.906 202 D HN 0.366 nan 8.370 nan 0.000 0.528 203 K N -1.127 119.325 120.400 0.086 0.000 3.274 203 K HA -0.195 4.125 4.320 -0.000 0.000 0.300 203 K C 0.673 177.416 176.600 0.238 0.000 1.230 203 K CA 0.858 57.225 56.287 0.133 0.000 0.884 203 K CB -1.114 31.435 32.500 0.082 0.000 1.242 203 K HN 0.206 nan 8.250 nan 0.000 0.467 204 Q N -0.031 119.861 119.800 0.152 0.000 2.424 204 Q HA 0.097 4.437 4.340 -0.000 0.000 0.204 204 Q C 0.257 176.304 176.000 0.078 0.000 0.933 204 Q CA 0.978 56.826 55.803 0.075 0.000 0.929 204 Q CB 0.459 29.192 28.738 -0.010 0.000 1.037 204 Q HN 0.369 nan 8.270 nan 0.000 0.511 205 R N -0.417 120.185 120.500 0.170 0.000 2.673 205 R HA 0.634 4.974 4.340 -0.000 0.000 0.281 205 R C -1.209 175.178 176.300 0.145 0.000 0.991 205 R CA -0.552 55.609 56.100 0.101 0.000 0.896 205 R CB 2.473 32.679 30.300 -0.157 0.000 1.201 205 R HN -0.201 nan 8.270 nan 0.000 0.457 206 V N 2.937 122.948 119.914 0.163 0.000 2.540 206 V HA 0.446 4.566 4.120 -0.000 0.000 0.302 206 V C -1.247 174.925 176.094 0.130 0.000 1.035 206 V CA -0.836 61.569 62.300 0.176 0.000 0.873 206 V CB 1.552 33.496 31.823 0.203 0.000 0.992 206 V HN 0.590 nan 8.190 nan 0.000 0.428 207 Y N 1.599 122.092 120.300 0.322 0.000 2.409 207 Y HA 0.707 5.257 4.550 0.001 0.000 0.339 207 Y C 0.565 176.646 175.900 0.300 0.000 1.033 207 Y CA -0.363 57.913 58.100 0.293 0.000 1.094 207 Y CB 2.338 40.925 38.460 0.213 0.000 1.210 207 Y HN 0.578 nan 8.280 nan 0.000 0.456 208 S N 3.192 119.193 115.700 0.502 0.000 2.548 208 S HA 0.677 5.147 4.470 -0.000 0.000 0.286 208 S C -1.059 173.779 174.600 0.398 0.000 1.098 208 S CA -0.735 57.734 58.200 0.448 0.000 0.930 208 S CB 1.337 64.929 63.200 0.654 0.000 1.070 208 S HN 0.447 nan 8.310 nan 0.000 0.480 209 I N 1.701 122.467 120.570 0.326 0.000 2.433 209 I HA 0.428 4.598 4.170 -0.000 0.000 0.292 209 I C 0.898 177.238 176.117 0.371 0.000 1.001 209 I CA -0.839 60.589 61.300 0.213 0.000 1.119 209 I CB 1.651 39.577 38.000 -0.123 0.000 1.289 209 I HN 0.769 nan 8.210 nan 0.000 0.438 210 G N 3.838 112.907 108.800 0.448 0.000 2.353 210 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.239 210 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.239 210 G C 0.265 175.328 174.900 0.273 0.000 1.295 210 G CA -0.063 45.214 45.100 0.294 0.000 0.884 210 G HN 0.937 nan 8.290 nan 0.000 0.537 211 W N 2.166 123.459 121.300 -0.013 0.000 2.338 211 W HA -0.024 4.636 4.660 -0.000 0.000 0.304 211 W C 1.442 178.041 176.519 0.133 0.000 1.212 211 W CA 1.681 59.040 57.345 0.023 0.000 1.264 211 W CB 0.329 29.797 29.460 0.012 0.000 1.142 211 W HN 0.771 nan 8.180 nan 0.000 0.512 212 E N -2.345 117.835 120.200 -0.034 0.000 2.437 212 E HA 0.509 4.859 4.350 -0.000 0.000 0.253 212 E C 0.933 177.260 176.600 -0.455 0.000 0.905 212 E CA -0.417 55.757 56.400 -0.378 0.000 0.871 212 E CB 0.782 30.246 29.700 -0.393 0.000 1.649 212 E HN 0.132 nan 8.360 nan 0.000 0.422 213 G N 0.199 108.764 108.800 -0.392 0.000 2.574 213 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.286 213 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.286 213 G C 0.825 175.473 174.900 -0.421 0.000 1.212 213 G CA 1.141 46.068 45.100 -0.289 0.000 0.979 213 G HN 1.126 nan 8.290 nan 0.000 0.557 214 T N -2.534 111.877 114.554 -0.238 0.000 3.148 214 T HA 0.239 4.588 4.350 -0.000 0.000 0.253 214 T C 0.875 175.505 174.700 -0.116 0.000 1.134 214 T CA 1.204 63.210 62.100 -0.156 0.000 1.051 214 T CB -0.428 68.409 68.868 -0.050 0.000 0.959 214 T HN 1.602 nan 8.240 nan 0.000 0.525 215 H N 0.829 119.867 119.070 -0.054 0.000 2.794 215 H HA -0.109 4.447 4.556 0.000 0.000 0.334 215 H C -0.359 174.894 175.328 -0.125 0.000 1.154 215 H CA 0.839 56.825 56.048 -0.102 0.000 1.129 215 H CB -2.497 27.128 29.762 -0.229 0.000 1.600 215 H HN 0.422 nan 8.280 nan 0.000 0.410 216 T N 1.338 115.923 114.554 0.052 0.000 2.916 216 T HA 0.291 4.641 4.350 -0.000 0.000 0.303 216 T C 1.135 175.742 174.700 -0.154 0.000 1.025 216 T CA -0.407 61.643 62.100 -0.084 0.000 1.142 216 T CB 1.443 70.287 68.868 -0.040 0.000 0.947 216 T HN 0.190 nan 8.240 nan 0.000 0.544 217 V N 4.425 124.098 119.914 -0.401 0.000 2.394 217 V HA 0.408 4.528 4.120 -0.000 0.000 0.282 217 V C -0.770 175.063 176.094 -0.434 0.000 1.031 217 V CA -0.729 61.348 62.300 -0.372 0.000 0.881 217 V CB 0.263 31.678 31.823 -0.681 0.000 0.982 217 V HN 0.743 nan 8.190 nan 0.000 0.451 218 Y N 2.634 122.903 120.300 -0.052 0.000 2.524 218 Y HA 0.692 5.242 4.550 -0.000 0.000 0.344 218 Y C 0.015 175.819 175.900 -0.160 0.000 1.012 218 Y CA -0.839 57.140 58.100 -0.202 0.000 1.068 218 Y CB 2.199 40.375 38.460 -0.473 0.000 1.249 218 Y HN 0.420 nan 8.280 nan 0.000 0.468 219 V N 3.776 123.615 119.914 -0.126 0.000 2.555 219 V HA 0.557 4.677 4.120 -0.000 0.000 0.302 219 V C -1.534 174.308 176.094 -0.420 0.000 1.038 219 V CA -0.688 61.469 62.300 -0.239 0.000 0.887 219 V CB 1.031 32.726 31.823 -0.214 0.000 0.991 219 V HN 0.703 nan 8.190 nan 0.000 0.434 223 A N 0.856 123.393 122.820 -0.472 0.000 2.070 223 A HA 0.002 4.322 4.320 -0.000 0.000 0.220 223 A C 1.520 178.954 177.584 -0.250 0.000 1.159 223 A CA 1.836 53.702 52.037 -0.286 0.000 0.656 223 A CB -0.276 18.604 19.000 -0.200 0.000 0.800 223 A HN 0.252 nan 8.150 nan 0.000 0.453 224 S N -1.129 114.399 115.700 -0.287 0.000 2.605 224 S HA 0.370 4.840 4.470 -0.000 0.000 0.217 224 S C 1.252 175.738 174.600 -0.189 0.000 0.958 224 S CA 0.482 58.564 58.200 -0.197 0.000 0.919 224 S CB -0.063 63.045 63.200 -0.155 0.000 0.780 224 S HN 1.508 nan 8.310 nan 0.000 0.507 225 G N 1.223 109.845 108.800 -0.297 0.000 2.249 225 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.273 225 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.273 225 G C 0.153 175.025 174.900 -0.048 0.000 1.036 225 G CA 0.039 45.012 45.100 -0.211 0.000 0.824 225 G HN 0.631 nan 8.290 nan 0.000 0.504 226 W N -3.535 117.766 121.300 0.001 0.000 3.456 226 W HA -0.159 4.501 4.660 -0.000 0.000 0.314 226 W C 1.325 177.901 176.519 0.095 0.000 1.192 226 W CA 0.271 57.644 57.345 0.047 0.000 0.654 226 W CB -1.832 27.630 29.460 0.004 0.000 2.251 226 W HN 1.440 nan 8.180 nan 0.000 1.360 227 A N 1.731 124.633 122.820 0.136 0.000 2.462 227 A HA 0.505 4.825 4.320 -0.000 0.000 0.243 227 A C -1.143 176.420 177.584 -0.035 0.000 1.076 227 A CA -0.741 51.324 52.037 0.047 0.000 0.773 227 A CB 0.004 18.983 19.000 -0.036 0.000 1.010 227 A HN 0.033 nan 8.150 nan 0.000 0.493 228 P HA 0.291 nan 4.420 nan 0.000 0.279 228 P C -0.638 176.468 177.300 -0.323 0.000 1.239 228 P CA 0.067 62.801 63.100 -0.610 0.000 0.789 228 P CB 1.032 32.051 31.700 -1.135 0.000 0.933 229 T N 2.730 117.149 114.554 -0.225 0.000 2.841 229 T HA 0.314 4.664 4.350 -0.000 0.000 0.285 229 T C 0.017 174.727 174.700 0.017 0.000 0.991 229 T CA -0.616 61.443 62.100 -0.069 0.000 0.966 229 T CB 1.116 69.936 68.868 -0.080 0.000 0.962 229 T HN 0.329 nan 8.240 nan 0.000 0.438 230 R N 3.305 123.820 120.500 0.025 0.000 2.401 230 R HA 0.284 4.624 4.340 -0.000 0.000 0.299 230 R C 0.990 177.208 176.300 -0.137 0.000 1.064 230 R CA 0.008 55.966 56.100 -0.237 0.000 1.000 230 R CB 0.079 30.242 30.300 -0.228 0.000 0.973 230 R HN 0.816 nan 8.270 nan 0.000 0.438 231 I N 0.607 121.095 120.570 -0.138 0.000 4.154 231 I HA 0.500 4.670 4.170 -0.000 0.000 0.334 231 I C 0.476 176.665 176.117 0.120 0.000 1.371 231 I CA -0.080 61.234 61.300 0.024 0.000 1.110 231 I CB 0.974 39.051 38.000 0.129 0.000 1.085 231 I HN 0.727 nan 8.210 nan 0.000 0.398 232 G N 1.812 110.601 108.800 -0.019 0.000 2.333 232 G HA2 0.361 4.321 3.960 -0.000 0.000 0.288 232 G HA3 0.361 4.321 3.960 -0.000 0.000 0.288 232 G C -2.089 172.714 174.900 -0.161 0.000 1.286 232 G CA -0.250 44.888 45.100 0.062 0.000 0.865 232 G HN 0.486 nan 8.290 nan 0.000 0.506 233 Q N -1.097 118.657 119.800 -0.078 0.000 2.435 233 Q HA 0.576 4.915 4.340 -0.000 0.000 0.282 233 Q C -0.368 175.606 176.000 -0.043 0.000 1.020 233 Q CA -1.000 54.723 55.803 -0.134 0.000 0.820 233 Q CB 1.599 30.307 28.738 -0.050 0.000 1.436 233 Q HN 0.481 nan 8.270 nan 0.000 0.395 234 L N 0.629 121.810 121.223 -0.071 0.000 2.270 234 L HA 0.305 4.645 4.340 -0.000 0.000 0.210 234 L C 0.954 177.971 176.870 0.246 0.000 1.104 234 L CA 1.054 55.926 54.840 0.053 0.000 0.804 234 L CB -0.465 41.466 42.059 -0.213 0.000 0.937 234 L HN 1.041 nan 8.230 nan 0.000 0.450 235 G N 0.098 109.001 108.800 0.170 0.000 2.721 235 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.686 235 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.686 235 G C 0.462 175.473 174.900 0.185 0.000 1.236 235 G CA -0.122 45.065 45.100 0.146 0.000 0.786 235 G HN 0.247 nan 8.290 nan 0.000 0.616 236 S N -0.125 115.617 115.700 0.069 0.000 2.607 236 S HA 0.058 4.528 4.470 -0.000 0.000 0.224 236 S C 2.113 176.742 174.600 0.048 0.000 0.969 236 S CA 1.584 59.806 58.200 0.036 0.000 0.927 236 S CB 0.040 63.214 63.200 -0.043 0.000 0.772 236 S HN 1.089 nan 8.310 nan 0.000 0.533 237 T N 2.028 116.600 114.554 0.031 0.000 2.685 237 T HA -0.068 4.282 4.350 -0.000 0.000 0.268 237 T C 0.085 174.668 174.700 -0.194 0.000 1.034 237 T CA 1.174 63.216 62.100 -0.096 0.000 1.149 237 T CB -0.602 68.164 68.868 -0.170 0.000 0.860 237 T HN 0.563 nan 8.240 nan 0.000 0.449 238 F N 2.336 122.326 119.950 0.067 0.000 2.600 238 F HA 0.182 4.708 4.527 -0.001 0.000 0.345 238 F C 1.695 177.561 175.800 0.110 0.000 1.271 238 F CA -0.704 57.326 58.000 0.050 0.000 1.138 238 F CB -0.071 38.893 39.000 -0.059 0.000 1.449 238 F HN 0.086 nan 8.300 nan 0.000 0.645 239 S N 0.367 116.142 115.700 0.125 0.000 2.489 239 S HA 0.100 4.569 4.470 -0.000 0.000 0.228 239 S C 1.218 175.850 174.600 0.053 0.000 0.995 239 S CA 0.137 58.377 58.200 0.066 0.000 0.934 239 S CB -0.317 62.884 63.200 0.003 0.000 0.771 239 S HN 0.515 nan 8.310 nan 0.000 0.522 240 G N 1.290 110.135 108.800 0.075 0.000 2.580 240 G HA2 0.466 4.426 3.960 -0.000 0.000 0.278 240 G HA3 0.466 4.426 3.960 -0.000 0.000 0.278 240 G C -0.479 174.395 174.900 -0.044 0.000 1.212 240 G CA -0.826 44.274 45.100 -0.000 0.000 0.939 240 G HN 0.105 nan 8.290 nan 0.000 0.513 241 K N -0.313 119.976 120.400 -0.185 0.000 2.237 241 K HA 0.297 4.617 4.320 -0.000 0.000 0.270 241 K C -0.236 176.217 176.600 -0.244 0.000 1.015 241 K CA -0.073 55.981 56.287 -0.389 0.000 0.949 241 K CB 1.598 33.727 32.500 -0.617 0.000 0.976 241 K HN 0.266 nan 8.250 nan 0.000 0.472 242 I N 1.151 121.569 120.570 -0.253 0.000 2.382 242 I HA 0.172 4.342 4.170 -0.000 0.000 0.285 242 I C 1.045 177.115 176.117 -0.079 0.000 1.007 242 I CA -0.246 60.927 61.300 -0.212 0.000 1.142 242 I CB 1.805 39.546 38.000 -0.432 0.000 1.289 242 I HN 0.764 nan 8.210 nan 0.000 0.453 243 G N 4.704 113.408 108.800 -0.159 0.000 3.159 243 G HA2 0.593 4.553 3.960 -0.000 0.000 0.232 243 G HA3 0.593 4.553 3.960 -0.000 0.000 0.232 243 G C 0.270 174.965 174.900 -0.341 0.000 1.116 243 G CA 0.247 45.141 45.100 -0.343 0.000 0.767 243 G HN 0.656 nan 8.290 nan 0.000 0.547 244 A N -0.592 122.146 122.820 -0.136 0.000 2.605 244 A HA 0.668 4.988 4.320 -0.000 0.000 0.294 244 A C -1.304 176.342 177.584 0.103 0.000 1.062 244 A CA -0.204 51.843 52.037 0.017 0.000 0.682 244 A CB 1.226 20.286 19.000 0.099 0.000 1.278 244 A HN 1.167 nan 8.150 nan 0.000 0.410 245 V N -1.925 118.087 119.914 0.164 0.000 2.876 245 V HA 1.016 5.136 4.120 -0.000 0.000 0.312 245 V C -0.137 176.121 176.094 0.274 0.000 1.085 245 V CA -0.331 62.106 62.300 0.230 0.000 0.945 245 V CB 1.269 33.219 31.823 0.211 0.000 1.017 245 V HN 2.398 nan 8.190 nan 0.000 0.428 246 A N 3.944 126.955 122.820 0.318 0.000 2.393 246 A HA 0.862 5.182 4.320 -0.000 0.000 0.306 246 A C -0.881 176.950 177.584 0.412 0.000 1.050 246 A CA -0.745 51.531 52.037 0.399 0.000 0.724 246 A CB 1.495 20.821 19.000 0.544 0.000 1.248 246 A HN 1.024 nan 8.150 nan 0.000 0.424 247 L N 2.944 124.371 121.223 0.340 0.000 2.371 247 L HA 0.242 4.582 4.340 -0.000 0.000 0.272 247 L C 0.780 177.754 176.870 0.174 0.000 1.124 247 L CA -0.639 54.346 54.840 0.243 0.000 0.816 247 L CB 0.768 42.916 42.059 0.149 0.000 1.129 247 L HN 0.916 nan 8.230 nan 0.000 0.448 248 D N 1.978 122.513 120.400 0.225 0.000 2.393 248 D HA -0.082 4.558 4.640 -0.000 0.000 0.246 248 D C 0.698 176.761 176.300 -0.395 0.000 1.275 248 D CA -0.368 53.627 54.000 -0.008 0.000 0.979 248 D CB 0.793 41.804 40.800 0.353 0.000 1.101 248 D HN 0.690 nan 8.370 nan 0.000 0.505 249 E N -0.834 119.096 120.200 -0.450 0.000 2.097 249 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 249 E C 1.767 178.322 176.600 -0.075 0.000 1.000 249 E CA 2.151 58.382 56.400 -0.280 0.000 0.804 249 E CB -0.157 29.546 29.700 0.004 0.000 0.740 249 E HN 0.682 nan 8.360 nan 0.000 0.454 250 T N -2.407 112.162 114.554 0.024 0.000 3.088 250 T HA 0.007 4.357 4.350 -0.000 0.000 0.259 250 T C 0.440 175.172 174.700 0.053 0.000 1.122 250 T CA 0.729 62.867 62.100 0.063 0.000 1.095 250 T CB -0.179 68.760 68.868 0.120 0.000 0.930 250 T HN 0.349 nan 8.240 nan 0.000 0.508 251 E N 0.238 120.468 120.200 0.050 0.000 2.722 251 E HA -0.267 4.082 4.350 -0.000 0.000 0.265 251 E C 0.690 177.294 176.600 0.008 0.000 1.081 251 E CA 0.888 57.319 56.400 0.052 0.000 0.781 251 E CB -1.482 28.263 29.700 0.076 0.000 1.372 251 E HN 0.798 nan 8.360 nan 0.000 0.423 252 E N -0.874 119.325 120.200 -0.002 0.000 2.340 252 E HA -0.007 4.343 4.350 -0.000 0.000 0.194 252 E C -0.050 176.291 176.600 -0.430 0.000 0.996 252 E CA 0.336 56.602 56.400 -0.224 0.000 0.869 252 E CB 0.437 29.980 29.700 -0.262 0.000 0.835 252 E HN 0.241 nan 8.360 nan 0.000 0.493 253 W N 0.558 121.848 121.300 -0.016 0.000 2.702 253 W HA 0.453 5.115 4.660 0.003 0.000 0.331 253 W C -0.943 175.599 176.519 0.038 0.000 1.049 253 W CA -0.668 56.663 57.345 -0.022 0.000 1.230 253 W CB 1.083 30.558 29.460 0.024 0.000 1.408 253 W HN -0.172 nan 8.180 nan 0.000 0.492 254 L N 3.448 124.818 121.223 0.244 0.000 2.282 254 L HA 0.441 4.781 4.340 -0.000 0.000 0.288 254 L C -0.801 176.130 176.870 0.103 0.000 1.033 254 L CA -0.954 54.026 54.840 0.234 0.000 0.807 254 L CB 0.423 42.608 42.059 0.211 0.000 1.209 254 L HN 0.352 nan 8.230 nan 0.000 0.423 255 Y N 3.296 123.548 120.300 -0.080 0.000 2.457 255 Y HA 0.691 5.241 4.550 -0.001 0.000 0.333 255 Y C -0.163 175.548 175.900 -0.315 0.000 1.119 255 Y CA -0.587 57.187 58.100 -0.544 0.000 1.143 255 Y CB 1.777 39.714 38.460 -0.872 0.000 1.230 255 Y HN 0.388 nan 8.280 nan 0.000 0.469 256 F N -1.441 118.460 119.950 -0.082 0.000 2.703 256 F HA 0.713 5.240 4.527 0.001 0.000 0.308 256 F C -2.081 173.761 175.800 0.070 0.000 1.126 256 F CA -1.563 56.410 58.000 -0.044 0.000 0.959 256 F CB 0.518 39.399 39.000 -0.199 0.000 1.297 256 F HN 0.083 nan 8.300 nan 0.000 0.441 257 V N 2.219 122.315 119.914 0.302 0.000 2.443 257 V HA 0.378 4.498 4.120 -0.000 0.000 0.293 257 V C -0.795 175.397 176.094 0.163 0.000 1.021 257 V CA -0.550 61.913 62.300 0.272 0.000 0.848 257 V CB 1.295 33.219 31.823 0.169 0.000 0.998 257 V HN 0.905 nan 8.190 nan 0.000 0.424 258 D N 3.460 123.962 120.400 0.171 0.000 2.398 258 D HA 0.106 4.746 4.640 -0.000 0.000 0.247 258 D C 1.325 177.647 176.300 0.036 0.000 1.227 258 D CA 0.104 54.134 54.000 0.050 0.000 0.980 258 D CB 1.083 41.912 40.800 0.047 0.000 1.106 258 D HN 0.451 nan 8.370 nan 0.000 0.493 259 S N -0.601 115.096 115.700 -0.006 0.000 2.561 259 S HA -0.083 4.387 4.470 -0.000 0.000 0.225 259 S C 0.764 175.371 174.600 0.011 0.000 0.977 259 S CA -0.030 58.170 58.200 -0.001 0.000 0.926 259 S CB -0.461 62.731 63.200 -0.013 0.000 0.769 259 S HN 0.457 nan 8.310 nan 0.000 0.533 260 N N 1.725 120.438 118.700 0.022 0.000 2.268 260 N HA 0.230 4.970 4.740 -0.000 0.000 0.204 260 N C -0.236 175.294 175.510 0.033 0.000 1.124 260 N CA 0.075 53.139 53.050 0.023 0.000 0.838 260 N CB 0.011 38.509 38.487 0.018 0.000 0.994 260 N HN 0.513 nan 8.380 nan 0.000 0.489 261 K N -1.057 119.372 120.400 0.047 0.000 3.470 261 K HA -0.116 4.204 4.320 -0.000 0.000 0.305 261 K C -0.822 175.844 176.600 0.110 0.000 1.363 261 K CA 0.291 56.607 56.287 0.048 0.000 0.927 261 K CB -1.326 31.178 32.500 0.007 0.000 1.355 261 K HN 0.179 nan 8.250 nan 0.000 0.466 262 N N 1.476 120.273 118.700 0.163 0.000 2.399 262 N HA 0.074 4.814 4.740 -0.000 0.000 0.259 262 N C -0.714 175.034 175.510 0.397 0.000 1.160 262 N CA 0.263 53.463 53.050 0.249 0.000 0.946 262 N CB 0.197 38.832 38.487 0.246 0.000 1.156 262 N HN 0.081 nan 8.380 nan 0.000 0.489 263 F N 2.036 122.065 119.950 0.131 0.000 2.411 263 F HA 0.637 5.165 4.527 0.002 0.000 0.350 263 F C 0.567 176.366 175.800 -0.002 0.000 1.114 263 F CA -0.607 57.407 58.000 0.024 0.000 1.135 263 F CB 0.647 39.630 39.000 -0.027 0.000 1.120 263 F HN 0.410 nan 8.300 nan 0.000 0.495 264 G N 5.705 114.040 108.800 -0.774 0.000 2.687 264 G HA2 0.698 4.658 3.960 -0.000 0.000 0.291 264 G HA3 0.698 4.658 3.960 -0.000 0.000 0.291 264 G C -1.922 171.917 174.900 -1.767 0.000 1.420 264 G CA -1.201 43.386 45.100 -0.856 0.000 0.796 264 G HN 0.874 nan 8.290 nan 0.000 0.485 265 R N -1.764 118.070 120.500 -1.110 0.000 2.739 265 R HA 0.789 5.129 4.340 -0.000 0.000 0.271 265 R C -2.137 174.170 176.300 0.012 0.000 1.010 265 R CA -0.988 54.538 56.100 -0.957 0.000 0.897 265 R CB 2.074 31.523 30.300 -1.419 0.000 1.236 265 R HN 0.641 nan 8.270 nan 0.000 0.466 266 F N 1.586 121.609 119.950 0.121 0.000 2.557 266 F HA 0.402 4.928 4.527 -0.001 0.000 0.316 266 F C -1.150 174.673 175.800 0.038 0.000 1.141 266 F CA -0.892 57.217 58.000 0.182 0.000 0.922 266 F CB 2.207 41.293 39.000 0.143 0.000 1.194 266 F HN 0.622 nan 8.300 nan 0.000 0.443 267 N N 4.853 123.028 118.700 -0.875 0.000 2.411 267 N HA 0.119 4.859 4.740 -0.000 0.000 0.259 267 N C 1.084 175.986 175.510 -1.014 0.000 1.103 267 N CA 0.148 52.444 53.050 -1.256 0.000 0.954 267 N CB 1.778 39.362 38.487 -1.505 0.000 1.085 267 N HN 0.737 nan 8.380 nan 0.000 0.485 268 V N 2.223 121.802 119.914 -0.558 0.000 3.141 268 V HA -0.006 4.113 4.120 -0.000 0.000 0.265 268 V C 1.481 177.472 176.094 -0.171 0.000 1.126 268 V CA 1.068 63.249 62.300 -0.199 0.000 1.141 268 V CB -0.305 31.422 31.823 -0.159 0.000 0.743 268 V HN 0.493 nan 8.190 nan 0.000 0.492 269 K N 1.388 121.607 120.400 -0.303 0.000 2.287 269 K HA 0.142 4.462 4.320 -0.000 0.000 0.199 269 K C 2.107 178.569 176.600 -0.230 0.000 1.061 269 K CA 1.417 57.578 56.287 -0.209 0.000 0.976 269 K CB -0.098 32.281 32.500 -0.202 0.000 0.898 269 K HN 0.696 nan 8.250 nan 0.000 0.492 270 T N -1.947 112.398 114.554 -0.347 0.000 3.001 270 T HA 0.092 4.442 4.350 -0.000 0.000 0.251 270 T C 0.661 175.171 174.700 -0.317 0.000 1.040 270 T CA -0.085 61.842 62.100 -0.287 0.000 0.985 270 T CB 0.291 68.991 68.868 -0.280 0.000 1.011 270 T HN 0.202 nan 8.240 nan 0.000 0.509 271 Q N 0.192 119.673 119.800 -0.532 0.000 2.374 271 Q HA -0.196 4.144 4.340 -0.000 0.000 0.218 271 Q C -0.030 175.663 176.000 -0.511 0.000 0.691 271 Q CA 1.029 56.452 55.803 -0.632 0.000 1.340 271 Q CB -1.885 26.763 28.738 -0.150 0.000 1.498 271 Q HN 0.860 nan 8.270 nan 0.000 0.739 272 E N 0.918 120.857 120.200 -0.434 0.000 2.414 272 E HA 0.240 4.590 4.350 -0.000 0.000 0.263 272 E C -0.731 175.827 176.600 -0.071 0.000 1.000 272 E CA 0.046 56.347 56.400 -0.164 0.000 0.914 272 E CB 0.703 30.374 29.700 -0.048 0.000 0.948 272 E HN 0.088 nan 8.360 nan 0.000 0.444 273 V N 3.819 123.803 119.914 0.116 0.000 2.604 273 V HA 0.432 4.552 4.120 -0.000 0.000 0.305 273 V C -0.399 175.832 176.094 0.228 0.000 1.043 273 V CA -0.723 61.740 62.300 0.271 0.000 0.888 273 V CB 2.277 34.332 31.823 0.387 0.000 0.995 273 V HN 0.768 nan 8.190 nan 0.000 0.429 274 T N 4.699 119.383 114.554 0.217 0.000 2.991 274 T HA 0.433 4.783 4.350 -0.000 0.000 0.303 274 T C -0.936 173.854 174.700 0.150 0.000 1.015 274 T CA -0.359 61.798 62.100 0.095 0.000 1.007 274 T CB 1.585 70.407 68.868 -0.076 0.000 1.034 274 T HN 0.517 nan 8.240 nan 0.000 0.446 275 L N 4.835 126.130 121.223 0.119 0.000 2.325 275 L HA 0.479 4.819 4.340 -0.000 0.000 0.284 275 L C 0.709 177.560 176.870 -0.031 0.000 1.089 275 L CA 0.184 55.069 54.840 0.076 0.000 0.836 275 L CB -0.233 41.766 42.059 -0.100 0.000 1.184 275 L HN 0.753 nan 8.230 nan 0.000 0.444 276 I N 3.337 123.846 120.570 -0.102 0.000 2.235 276 I HA 0.048 4.218 4.170 -0.000 0.000 0.241 276 I C 0.783 176.920 176.117 0.033 0.000 1.085 276 I CA 0.736 61.974 61.300 -0.103 0.000 1.378 276 I CB -0.048 37.794 38.000 -0.263 0.000 1.076 276 I HN 0.622 nan 8.210 nan 0.000 0.415 277 K N 0.228 120.695 120.400 0.111 0.000 2.598 277 K HA 0.179 4.499 4.320 -0.000 0.000 0.271 277 K C -1.348 175.337 176.600 0.141 0.000 0.947 277 K CA -0.606 55.754 56.287 0.122 0.000 0.854 277 K CB 1.459 34.050 32.500 0.150 0.000 1.401 277 K HN -0.116 nan 8.250 nan 0.000 0.415 278 Q N 4.534 124.379 119.800 0.075 0.000 2.314 278 Q HA 0.268 4.608 4.340 -0.000 0.000 0.257 278 Q C -0.530 175.495 176.000 0.041 0.000 0.975 278 Q CA -0.515 55.326 55.803 0.064 0.000 0.933 278 Q CB 0.638 29.391 28.738 0.026 0.000 1.195 278 Q HN 0.501 nan 8.270 nan 0.000 0.426 279 L N 3.777 125.019 121.223 0.031 0.000 2.525 279 L HA -0.015 4.325 4.340 -0.000 0.000 0.278 279 L C 0.342 177.185 176.870 -0.044 0.000 1.218 279 L CA 0.608 55.429 54.840 -0.032 0.000 0.878 279 L CB 0.205 42.208 42.059 -0.094 0.000 1.127 279 L HN 0.646 nan 8.230 nan 0.000 0.492 280 E N 4.771 124.941 120.200 -0.050 0.000 1.802 280 E HA 0.312 4.662 4.350 -0.000 0.000 0.265 280 E C -0.903 175.653 176.600 -0.073 0.000 1.168 280 E CA -0.060 56.313 56.400 -0.045 0.000 1.033 280 E CB 0.230 29.914 29.700 -0.026 0.000 1.095 280 E HN 0.356 nan 8.360 nan 0.000 0.436 281 L N 1.632 122.799 121.223 -0.092 0.000 2.386 281 L HA 0.340 4.680 4.340 -0.000 0.000 0.271 281 L C 0.129 176.954 176.870 -0.076 0.000 0.993 281 L CA -0.902 53.859 54.840 -0.131 0.000 0.819 281 L CB 2.085 44.008 42.059 -0.227 0.000 1.294 281 L HN 0.277 nan 8.230 nan 0.000 0.414 282 S N 1.014 116.683 115.700 -0.053 0.000 2.586 282 S HA 0.876 5.346 4.470 -0.000 0.000 0.274 282 S C 0.274 174.865 174.600 -0.015 0.000 1.281 282 S CA 0.022 58.208 58.200 -0.024 0.000 1.035 282 S CB 1.624 64.819 63.200 -0.008 0.000 0.962 282 S HN 1.190 nan 8.310 nan 0.000 0.512 283 G N 1.117 109.915 108.800 -0.003 0.000 2.712 283 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.683 283 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.683 283 G C -0.605 174.301 174.900 0.010 0.000 1.320 283 G CA -0.606 44.500 45.100 0.011 0.000 0.847 283 G HN 1.148 nan 8.290 nan 0.000 0.553 284 S N 0.257 115.971 115.700 0.025 0.000 2.457 284 S HA 0.627 5.097 4.470 -0.000 0.000 0.289 284 S C 0.880 175.502 174.600 0.037 0.000 1.163 284 S CA -0.635 57.581 58.200 0.028 0.000 1.078 284 S CB 0.981 64.203 63.200 0.037 0.000 0.987 284 S HN 0.634 nan 8.310 nan 0.000 0.482 285 L N 2.186 123.425 121.223 0.028 0.000 2.466 285 L HA 0.445 4.785 4.340 -0.000 0.000 0.257 285 L C 1.319 178.224 176.870 0.058 0.000 1.189 285 L CA -0.648 54.214 54.840 0.036 0.000 0.813 285 L CB 0.112 42.181 42.059 0.016 0.000 1.118 285 L HN 0.704 nan 8.230 nan 0.000 0.471 286 G N -0.672 108.173 108.800 0.075 0.000 2.572 286 G HA2 0.393 4.353 3.960 -0.000 0.000 0.261 286 G HA3 0.393 4.353 3.960 -0.000 0.000 0.261 286 G C 0.381 175.345 174.900 0.106 0.000 1.197 286 G CA 0.076 45.241 45.100 0.107 0.000 0.870 286 G HN 0.735 nan 8.290 nan 0.000 0.548 287 T N -2.559 112.097 114.554 0.170 0.000 3.231 287 T HA 0.210 4.560 4.350 -0.000 0.000 0.292 287 T C 0.281 175.237 174.700 0.428 0.000 1.001 287 T CA -0.496 61.743 62.100 0.233 0.000 0.920 287 T CB 0.048 69.035 68.868 0.199 0.000 1.140 287 T HN 0.378 nan 8.240 nan 0.000 0.525 288 N N 2.298 121.201 118.700 0.338 0.000 2.765 288 N HA 0.365 5.105 4.740 -0.000 0.000 0.277 288 N C -2.103 173.662 175.510 0.425 0.000 1.750 288 N CA -1.990 51.326 53.050 0.443 0.000 0.827 288 N CB 1.538 40.281 38.487 0.427 0.000 1.200 288 N HN 0.070 nan 8.380 nan 0.000 0.494 289 P HA 0.321 nan 4.420 nan 0.000 0.252 289 P C 0.253 177.550 177.300 -0.005 0.000 1.218 289 P CA 0.482 63.282 63.100 -0.500 0.000 0.807 289 P CB 0.745 31.483 31.700 -1.603 0.000 1.072 290 G N 0.189 108.916 108.800 -0.121 0.000 2.351 290 G HA2 0.081 4.041 3.960 -0.000 0.000 0.353 290 G HA3 0.081 4.041 3.960 -0.000 0.000 0.353 290 G C -3.404 171.357 174.900 -0.232 0.000 1.358 290 G CA -0.950 44.088 45.100 -0.103 0.000 0.995 290 G HN -0.240 nan 8.290 nan 0.000 0.611 291 P HA 0.257 nan 4.420 nan 0.000 0.264 291 P C -0.836 176.373 177.300 -0.153 0.000 1.183 291 P CA 0.334 63.392 63.100 -0.070 0.000 0.763 291 P CB 0.127 31.829 31.700 0.003 0.000 0.807 292 Y N 2.115 122.437 120.300 0.037 0.000 2.299 292 Y HA 0.437 4.987 4.550 -0.001 0.000 0.326 292 Y C 0.653 176.610 175.900 0.097 0.000 1.164 292 Y CA -0.109 58.022 58.100 0.051 0.000 1.234 292 Y CB 1.023 39.501 38.460 0.030 0.000 1.219 292 Y HN 0.227 nan 8.280 nan 0.000 0.497 293 L N 5.663 127.063 121.223 0.295 0.000 2.408 293 L HA 0.705 5.045 4.340 -0.000 0.000 0.268 293 L C -1.034 176.043 176.870 0.346 0.000 0.986 293 L CA -0.726 54.286 54.840 0.286 0.000 0.820 293 L CB 1.541 43.745 42.059 0.243 0.000 1.303 293 L HN 0.580 nan 8.230 nan 0.000 0.411 294 I N 0.634 121.440 120.570 0.394 0.000 2.934 294 I HA 0.518 4.688 4.170 -0.000 0.000 0.306 294 I C -1.640 174.801 176.117 0.540 0.000 1.110 294 I CA -1.016 60.539 61.300 0.424 0.000 1.019 294 I CB 2.075 40.264 38.000 0.316 0.000 1.227 294 I HN 0.690 nan 8.210 nan 0.000 0.434 295 Y N 3.802 124.324 120.300 0.370 0.000 2.313 295 Y HA 0.453 5.003 4.550 0.000 0.000 0.332 295 Y C -1.515 174.483 175.900 0.164 0.000 1.071 295 Y CA -0.478 57.709 58.100 0.145 0.000 1.169 295 Y CB 0.982 39.513 38.460 0.119 0.000 1.192 295 Y HN 0.574 nan 8.280 nan 0.000 0.487 296 Y N 9.123 128.932 120.300 -0.818 0.000 2.356 296 Y HA 0.189 4.738 4.550 -0.001 0.000 0.334 296 Y C 0.256 175.586 175.900 -0.951 0.000 0.958 296 Y CA -2.350 55.324 58.100 -0.709 0.000 1.196 296 Y CB 0.233 38.395 38.460 -0.496 0.000 1.137 296 Y HN 0.727 nan 8.280 nan 0.000 0.485 297 F N 2.849 122.347 119.950 -0.753 0.000 2.293 297 F HA -0.047 4.481 4.527 0.002 0.000 0.300 297 F C 1.155 176.620 175.800 -0.557 0.000 1.086 297 F CA 1.182 58.887 58.000 -0.492 0.000 1.375 297 F CB -1.073 37.855 39.000 -0.120 0.000 1.045 297 F HN 0.212 nan 8.300 nan 0.000 0.516 298 V N 2.046 120.901 119.914 -1.766 0.000 2.343 298 V HA -0.262 3.857 4.120 -0.000 0.000 0.247 298 V C 1.917 177.645 176.094 -0.610 0.000 1.051 298 V CA 2.365 63.920 62.300 -1.241 0.000 1.036 298 V CB -0.770 30.166 31.823 -1.479 0.000 0.654 298 V HN 0.611 nan 8.190 nan 0.000 0.451 299 D N -2.557 117.515 120.400 -0.547 0.000 2.469 299 D HA 0.069 4.709 4.640 -0.000 0.000 0.213 299 D C 0.818 177.000 176.300 -0.197 0.000 1.135 299 D CA 0.735 54.605 54.000 -0.217 0.000 0.834 299 D CB 0.270 41.047 40.800 -0.038 0.000 1.009 299 D HN 0.259 nan 8.370 nan 0.000 0.507 300 S N -0.126 115.370 115.700 -0.340 0.000 3.521 300 S HA -0.177 4.293 4.470 -0.000 0.000 0.328 300 S C 0.023 174.411 174.600 -0.354 0.000 1.165 300 S CA 0.463 58.471 58.200 -0.319 0.000 0.941 300 S CB -1.698 61.484 63.200 -0.029 0.000 0.951 300 S HN 0.497 nan 8.310 nan 0.000 0.539 301 N N -0.409 118.083 118.700 -0.348 0.000 2.485 301 N HA 0.722 5.462 4.740 -0.000 0.000 0.280 301 N C -0.207 175.019 175.510 -0.473 0.000 1.205 301 N CA -0.236 52.619 53.050 -0.326 0.000 0.959 301 N CB 0.448 38.811 38.487 -0.206 0.000 1.206 301 N HN 0.135 nan 8.380 nan 0.000 0.545 302 F N 0.135 120.030 119.950 -0.092 0.000 2.432 302 F HA 0.462 4.988 4.527 -0.002 0.000 0.329 302 F C 0.050 175.744 175.800 -0.176 0.000 1.076 302 F CA -0.441 57.569 58.000 0.016 0.000 1.018 302 F CB 0.789 39.813 39.000 0.040 0.000 1.201 302 F HN 0.311 nan 8.300 nan 0.000 0.489 306 D N -0.110 120.362 120.400 0.120 0.000 2.934 306 D HA 0.437 5.077 4.640 -0.000 0.000 0.230 306 D C 0.896 177.260 176.300 0.106 0.000 1.204 306 D CA -0.535 53.535 54.000 0.116 0.000 0.873 306 D CB 1.863 42.734 40.800 0.119 0.000 1.645 306 D HN 0.529 nan 8.370 nan 0.000 0.502 307 Q N 1.155 121.022 119.800 0.111 0.000 2.079 307 Q HA -0.109 4.231 4.340 -0.000 0.000 0.200 307 Q C 1.055 177.136 176.000 0.136 0.000 0.974 307 Q CA 1.124 57.000 55.803 0.122 0.000 0.840 307 Q CB 0.009 28.842 28.738 0.158 0.000 0.898 307 Q HN 0.477 nan 8.270 nan 0.000 0.430 308 N N 0.633 119.411 118.700 0.131 0.000 2.171 308 N HA -0.064 4.676 4.740 -0.000 0.000 0.184 308 N C 1.693 177.280 175.510 0.129 0.000 1.021 308 N CA 0.947 54.072 53.050 0.125 0.000 0.854 308 N CB -0.088 38.462 38.487 0.106 0.000 0.994 308 N HN 0.212 nan 8.380 nan 0.000 0.426 309 L N 1.193 122.504 121.223 0.147 0.000 2.492 309 L HA 0.062 4.402 4.340 -0.000 0.000 0.223 309 L C 0.338 177.333 176.870 0.209 0.000 1.132 309 L CA 0.153 55.110 54.840 0.196 0.000 0.850 309 L CB -0.583 41.642 42.059 0.278 0.000 0.966 309 L HN 0.082 nan 8.230 nan 0.000 0.454 310 S N -1.050 114.752 115.700 0.170 0.000 3.491 310 S HA -0.198 4.272 4.470 -0.000 0.000 0.371 310 S C 0.177 174.906 174.600 0.215 0.000 0.980 310 S CA 0.533 58.831 58.200 0.164 0.000 1.204 310 S CB -2.146 61.153 63.200 0.165 0.000 0.915 310 S HN 0.453 nan 8.310 nan 0.000 0.482 311 S N -1.110 114.681 115.700 0.152 0.000 2.625 311 S HA 0.739 5.209 4.470 -0.000 0.000 0.271 311 S C -0.487 174.075 174.600 -0.064 0.000 1.161 311 S CA -0.608 57.649 58.200 0.095 0.000 0.820 311 S CB 1.968 65.207 63.200 0.064 0.000 1.137 311 S HN 0.593 nan 8.310 nan 0.000 0.470 312 V N 1.935 121.729 119.914 -0.200 0.000 2.513 312 V HA 0.580 4.700 4.120 -0.000 0.000 0.299 312 V C -1.618 174.261 176.094 -0.359 0.000 1.035 312 V CA -0.499 61.712 62.300 -0.147 0.000 0.889 312 V CB 0.989 32.769 31.823 -0.073 0.000 0.988 312 V HN 0.832 nan 8.190 nan 0.000 0.440 313 Y N 2.039 122.342 120.300 0.004 0.000 2.446 313 Y HA 0.499 5.046 4.550 -0.004 0.000 0.345 313 Y C 0.210 175.938 175.900 -0.286 0.000 0.984 313 Y CA -0.950 57.111 58.100 -0.066 0.000 1.058 313 Y CB 1.710 40.145 38.460 -0.043 0.000 1.220 313 Y HN 0.482 nan 8.280 nan 0.000 0.455 314 K N 3.937 124.147 120.400 -0.316 0.000 2.258 314 K HA 0.561 4.881 4.320 -0.000 0.000 0.284 314 K C -1.377 174.973 176.600 -0.417 0.000 1.051 314 K CA -0.132 55.674 56.287 -0.802 0.000 0.923 314 K CB 0.340 32.382 32.500 -0.763 0.000 1.046 314 K HN 0.743 nan 8.250 nan 0.000 0.474 315 I N 4.143 124.454 120.570 -0.431 0.000 2.418 315 I HA 0.109 4.279 4.170 -0.000 0.000 0.287 315 I C 0.504 176.516 176.117 -0.176 0.000 1.008 315 I CA -0.932 60.184 61.300 -0.307 0.000 1.104 315 I CB 1.950 39.674 38.000 -0.460 0.000 1.264 315 I HN 0.712 nan 8.210 nan 0.000 0.438 316 T N 2.268 116.757 114.554 -0.108 0.000 2.828 316 T HA 0.241 4.591 4.350 -0.000 0.000 0.290 316 T C -1.920 172.892 174.700 0.186 0.000 1.019 316 T CA -1.479 60.626 62.100 0.009 0.000 1.031 316 T CB 1.027 69.897 68.868 0.003 0.000 1.001 316 T HN 0.297 nan 8.240 nan 0.000 0.531 317 P HA -0.010 nan 4.420 nan 0.000 0.221 317 P C 0.652 178.173 177.300 0.367 0.000 1.145 317 P CA 0.819 64.144 63.100 0.376 0.000 0.795 317 P CB 0.035 31.864 31.700 0.215 0.000 0.775 318 D N -2.021 118.520 120.400 0.234 0.000 2.339 318 D HA 0.144 4.784 4.640 -0.000 0.000 0.217 318 D C 1.497 177.925 176.300 0.213 0.000 1.050 318 D CA 0.726 54.832 54.000 0.177 0.000 0.856 318 D CB -0.188 40.665 40.800 0.089 0.000 0.922 318 D HN 0.117 nan 8.370 nan 0.000 0.518 319 G N 1.473 110.430 108.800 0.262 0.000 2.141 319 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.231 319 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.231 319 G C -0.134 174.744 174.900 -0.036 0.000 0.984 319 G CA -0.392 44.778 45.100 0.115 0.000 0.660 319 G HN 0.347 nan 8.290 nan 0.000 0.525 320 E N -0.095 120.090 120.200 -0.026 0.000 2.290 320 E HA 0.479 4.829 4.350 -0.000 0.000 0.277 320 E C 0.228 176.776 176.600 -0.086 0.000 1.035 320 E CA -0.175 56.202 56.400 -0.037 0.000 0.873 320 E CB 0.987 30.680 29.700 -0.013 0.000 1.029 320 E HN 0.271 nan 8.360 nan 0.000 0.419 321 C N 3.077 122.336 119.300 -0.068 0.000 2.417 321 C HA 0.463 4.923 4.460 -0.000 0.000 0.324 321 C C -0.231 174.780 174.990 0.036 0.000 1.240 321 C CA -0.636 58.346 59.018 -0.061 0.000 1.632 321 C CB 0.140 27.824 27.740 -0.094 0.000 2.241 321 C HN 0.875 nan 8.230 nan 0.000 0.499 322 E N 1.178 121.433 120.200 0.092 0.000 2.331 322 E HA 0.336 4.686 4.350 -0.000 0.000 0.275 322 E C -1.234 175.547 176.600 0.302 0.000 0.895 322 E CA -0.657 55.859 56.400 0.192 0.000 0.753 322 E CB 0.892 30.660 29.700 0.114 0.000 1.216 322 E HN 0.674 nan 8.360 nan 0.000 0.434 323 W N 4.576 125.974 121.300 0.163 0.000 2.295 323 W HA 0.083 4.743 4.660 0.000 0.000 0.335 323 W C -0.566 175.951 176.519 -0.004 0.000 1.351 323 W CA 0.109 57.431 57.345 -0.039 0.000 1.273 323 W CB 0.465 29.906 29.460 -0.033 0.000 1.214 323 W HN 0.712 nan 8.180 nan 0.000 0.563 324 F N 4.738 124.030 119.950 -1.098 0.000 2.577 324 F HA 0.293 4.818 4.527 -0.003 0.000 0.276 324 F C 0.023 174.985 175.800 -1.396 0.000 1.032 324 F CA -0.016 57.348 58.000 -1.060 0.000 1.297 324 F CB 0.182 38.867 39.000 -0.525 0.000 1.061 324 F HN 0.353 nan 8.300 nan 0.000 0.680 325 C N 0.783 119.408 119.300 -1.125 0.000 3.113 325 C HA 0.652 5.112 4.460 -0.000 0.000 0.376 325 C C -0.254 174.753 174.990 0.029 0.000 1.077 325 C CA 0.324 58.966 59.018 -0.627 0.000 1.253 325 C CB 0.596 28.078 27.740 -0.431 0.000 1.637 325 C HN 1.204 nan 8.230 nan 0.000 0.535 326 G N 3.030 111.990 108.800 0.267 0.000 2.462 326 G HA2 0.368 4.328 3.960 -0.000 0.000 0.685 326 G HA3 0.368 4.328 3.960 -0.000 0.000 0.685 326 G C -0.920 174.164 174.900 0.307 0.000 1.295 326 G CA 0.086 45.354 45.100 0.279 0.000 0.941 326 G HN 1.898 nan 8.290 nan 0.000 0.554 327 S N -0.866 114.932 115.700 0.164 0.000 2.532 327 S HA 0.733 5.203 4.470 -0.000 0.000 0.299 327 S C 1.179 175.844 174.600 0.107 0.000 1.105 327 S CA 0.617 58.867 58.200 0.083 0.000 1.018 327 S CB 1.435 64.638 63.200 0.005 0.000 1.021 327 S HN 2.230 nan 8.310 nan 0.000 0.483 328 A N 2.982 125.864 122.820 0.104 0.000 2.121 328 A HA 0.041 4.361 4.320 -0.000 0.000 0.218 328 A C 1.803 179.431 177.584 0.073 0.000 1.154 328 A CA 1.801 53.906 52.037 0.113 0.000 0.679 328 A CB -0.800 18.274 19.000 0.122 0.000 0.795 328 A HN 1.058 nan 8.150 nan 0.000 0.458 329 T N -3.611 110.967 114.554 0.041 0.000 3.054 329 T HA 0.300 4.650 4.350 -0.000 0.000 0.255 329 T C 0.313 175.025 174.700 0.020 0.000 1.035 329 T CA -0.150 61.966 62.100 0.026 0.000 0.941 329 T CB 0.050 68.921 68.868 0.005 0.000 1.026 329 T HN 0.429 nan 8.240 nan 0.000 0.533 330 Q N 1.119 120.932 119.800 0.022 0.000 2.533 330 Q HA 0.370 4.710 4.340 -0.000 0.000 0.251 330 Q C -1.394 174.616 176.000 0.016 0.000 0.966 330 Q CA -0.350 55.456 55.803 0.005 0.000 0.714 330 Q CB 1.849 30.574 28.738 -0.021 0.000 1.284 330 Q HN 0.266 nan 8.270 nan 0.000 0.478 331 K N 1.995 122.408 120.400 0.021 0.000 2.296 331 K HA 0.421 4.741 4.320 -0.000 0.000 0.257 331 K C -0.556 176.024 176.600 -0.033 0.000 1.088 331 K CA -0.010 56.292 56.287 0.024 0.000 0.980 331 K CB 1.323 33.858 32.500 0.058 0.000 1.430 331 K HN 0.289 nan 8.250 nan 0.000 0.441 332 T N 0.255 114.777 114.554 -0.053 0.000 2.886 332 T HA 0.177 4.527 4.350 -0.000 0.000 0.330 332 T C -1.261 173.370 174.700 -0.115 0.000 1.488 332 T CA -0.636 61.407 62.100 -0.096 0.000 1.054 332 T CB 1.157 69.972 68.868 -0.088 0.000 1.348 332 T HN 0.076 nan 8.240 nan 0.000 0.489 333 V N 4.641 124.476 119.914 -0.132 0.000 2.415 333 V HA 0.441 4.561 4.120 -0.000 0.000 0.267 333 V C 0.271 176.270 176.094 -0.159 0.000 1.042 333 V CA 0.105 62.316 62.300 -0.149 0.000 1.000 333 V CB 0.684 32.431 31.823 -0.128 0.000 1.015 333 V HN 0.801 nan 8.190 nan 0.000 0.478 334 Q N 3.571 123.241 119.800 -0.216 0.000 2.274 334 Q HA 0.382 4.722 4.340 -0.000 0.000 0.268 334 Q C -1.398 174.439 176.000 -0.272 0.000 1.015 334 Q CA -0.744 54.936 55.803 -0.205 0.000 0.775 334 Q CB 2.008 30.636 28.738 -0.184 0.000 1.256 334 Q HN 0.705 nan 8.270 nan 0.000 0.442 335 D N 1.507 121.772 120.400 -0.226 0.000 2.348 335 D HA 0.801 5.441 4.640 -0.000 0.000 0.249 335 D C 0.249 176.326 176.300 -0.371 0.000 1.110 335 D CA 0.723 54.553 54.000 -0.284 0.000 0.967 335 D CB 1.631 42.345 40.800 -0.145 0.000 1.139 335 D HN 0.833 nan 8.370 nan 0.000 0.466 336 G N -0.632 107.736 108.800 -0.720 0.000 2.340 336 G HA2 0.090 4.049 3.960 -0.000 0.000 0.282 336 G HA3 0.090 4.049 3.960 -0.000 0.000 0.282 336 G C -1.378 172.878 174.900 -1.072 0.000 1.312 336 G CA -1.016 43.590 45.100 -0.824 0.000 0.942 336 G HN 0.319 nan 8.290 nan 0.000 0.495 337 L N 1.066 121.949 121.223 -0.567 0.000 2.499 337 L HA 0.215 4.555 4.340 -0.000 0.000 0.281 337 L C 2.384 179.036 176.870 -0.362 0.000 1.234 337 L CA 0.557 55.191 54.840 -0.344 0.000 0.839 337 L CB 0.428 42.410 42.059 -0.129 0.000 1.104 337 L HN 0.967 nan 8.230 nan 0.000 0.500 338 R N 1.607 121.899 120.500 -0.346 0.000 2.119 338 R HA -0.223 4.117 4.340 -0.000 0.000 0.246 338 R C 1.396 177.480 176.300 -0.360 0.000 1.146 338 R CA 2.245 58.081 56.100 -0.441 0.000 0.962 338 R CB 0.187 30.148 30.300 -0.565 0.000 0.863 338 R HN 0.667 nan 8.270 nan 0.000 0.442 339 E N -0.297 119.780 120.200 -0.206 0.000 2.409 339 E HA -0.160 4.190 4.350 -0.000 0.000 0.198 339 E C 1.146 177.796 176.600 0.082 0.000 1.024 339 E CA 1.373 57.808 56.400 0.058 0.000 0.861 339 E CB 0.158 29.926 29.700 0.113 0.000 0.788 339 E HN 0.689 nan 8.360 nan 0.000 0.521 340 E N -0.497 119.657 120.200 -0.077 0.000 2.572 340 E HA 0.299 4.649 4.350 -0.000 0.000 0.220 340 E C 0.352 176.845 176.600 -0.178 0.000 0.945 340 E CA -0.137 56.204 56.400 -0.099 0.000 1.070 340 E CB 0.412 30.045 29.700 -0.113 0.000 1.090 340 E HN 0.071 nan 8.360 nan 0.000 0.506 341 A N 1.708 124.364 122.820 -0.272 0.000 2.445 341 A HA 0.498 4.818 4.320 -0.000 0.000 0.242 341 A C -0.235 177.093 177.584 -0.426 0.000 1.075 341 A CA -0.083 51.712 52.037 -0.404 0.000 0.777 341 A CB 0.285 18.961 19.000 -0.541 0.000 1.013 341 A HN 0.326 nan 8.150 nan 0.000 0.493 342 L N 0.500 121.425 121.223 -0.496 0.000 2.354 342 L HA 0.642 4.982 4.340 -0.000 0.000 0.264 342 L C -1.187 175.307 176.870 -0.626 0.000 1.008 342 L CA -0.469 54.114 54.840 -0.429 0.000 0.819 342 L CB 1.990 43.924 42.059 -0.207 0.000 1.339 342 L HN 0.680 nan 8.230 nan 0.000 0.420 343 F N -0.418 119.485 119.950 -0.079 0.000 2.492 343 F HA 0.581 5.106 4.527 -0.002 0.000 0.327 343 F C 0.924 176.676 175.800 -0.079 0.000 1.079 343 F CA -0.503 57.446 58.000 -0.086 0.000 0.967 343 F CB 1.798 40.757 39.000 -0.069 0.000 1.169 343 F HN 0.514 nan 8.300 nan 0.000 0.472 344 A N 1.297 124.161 122.820 0.074 0.000 1.855 344 A HA -0.002 4.318 4.320 -0.000 0.000 0.213 344 A C 0.593 178.204 177.584 0.046 0.000 1.195 344 A CA 1.059 53.084 52.037 -0.020 0.000 0.610 344 A CB -0.197 18.697 19.000 -0.177 0.000 0.837 344 A HN 0.722 nan 8.150 nan 0.000 0.444 345 Q N -0.247 119.581 119.800 0.046 0.000 3.660 345 Q HA 0.210 4.550 4.340 -0.000 0.000 0.194 345 Q C -3.054 172.927 176.000 -0.031 0.000 0.872 345 Q CA -1.852 53.986 55.803 0.057 0.000 0.756 345 Q CB 1.880 30.688 28.738 0.118 0.000 1.443 345 Q HN 0.220 nan 8.270 nan 0.000 0.460 346 P HA 0.116 nan 4.420 nan 0.000 0.276 346 P C -0.787 176.391 177.300 -0.202 0.000 1.253 346 P CA 0.101 63.019 63.100 -0.303 0.000 0.766 346 P CB 1.045 32.296 31.700 -0.749 0.000 0.845 347 N N 1.654 120.204 118.700 -0.249 0.000 2.636 347 N HA 0.283 5.023 4.740 -0.000 0.000 0.268 347 N C 1.016 176.216 175.510 -0.517 0.000 1.372 347 N CA -0.214 52.645 53.050 -0.319 0.000 0.852 347 N CB -0.662 37.498 38.487 -0.545 0.000 1.335 347 N HN 0.369 nan 8.380 nan 0.000 0.386 351 V N 3.089 123.147 119.914 0.240 0.000 2.789 351 V HA 0.585 4.705 4.120 -0.000 0.000 0.311 351 V C -0.645 175.566 176.094 0.194 0.000 1.073 351 V CA -0.839 61.568 62.300 0.179 0.000 0.921 351 V CB 2.033 33.905 31.823 0.082 0.000 1.009 351 V HN 1.042 nan 8.190 nan 0.000 0.426 352 D N 2.375 122.877 120.400 0.171 0.000 2.478 352 D HA 0.185 4.825 4.640 -0.000 0.000 0.263 352 D C 1.026 177.446 176.300 0.200 0.000 1.153 352 D CA -0.535 53.420 54.000 -0.074 0.000 1.038 352 D CB 0.664 41.361 40.800 -0.172 0.000 1.120 352 D HN 0.590 nan 8.370 nan 0.000 0.564 353 E N -0.295 120.018 120.200 0.189 0.000 2.409 353 E HA -0.176 4.174 4.350 -0.000 0.000 0.198 353 E C -0.114 176.622 176.600 0.226 0.000 1.024 353 E CA 0.784 57.271 56.400 0.146 0.000 0.861 353 E CB -0.292 29.468 29.700 0.101 0.000 0.788 353 E HN 0.400 nan 8.360 nan 0.000 0.521 354 D N 0.410 120.947 120.400 0.229 0.000 2.339 354 D HA 0.144 4.784 4.640 -0.000 0.000 0.217 354 D C 1.058 177.475 176.300 0.195 0.000 1.050 354 D CA 0.926 55.047 54.000 0.201 0.000 0.856 354 D CB 0.547 41.431 40.800 0.140 0.000 0.922 354 D HN 0.410 nan 8.370 nan 0.000 0.518 355 G N 0.928 109.879 108.800 0.252 0.000 2.143 355 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.249 355 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.249 355 G C 0.149 175.088 174.900 0.066 0.000 0.981 355 G CA -0.387 44.736 45.100 0.038 0.000 0.665 355 G HN 0.206 nan 8.290 nan 0.000 0.528 356 N N 0.036 118.788 118.700 0.087 0.000 2.518 356 N HA 0.499 5.239 4.740 -0.000 0.000 0.266 356 N C -0.078 175.375 175.510 -0.094 0.000 1.196 356 N CA 0.288 53.348 53.050 0.015 0.000 0.947 356 N CB 0.384 38.854 38.487 -0.028 0.000 1.098 356 N HN 0.093 nan 8.380 nan 0.000 0.450 357 F N 1.321 121.125 119.950 -0.243 0.000 2.399 357 F HA 0.349 4.877 4.527 0.001 0.000 0.334 357 F C -0.049 175.482 175.800 -0.448 0.000 1.097 357 F CA -0.440 57.431 58.000 -0.215 0.000 1.076 357 F CB 0.675 39.535 39.000 -0.232 0.000 1.162 357 F HN 0.294 nan 8.300 nan 0.000 0.495 358 Y N 2.791 123.180 120.300 0.148 0.000 2.391 358 Y HA 0.657 5.207 4.550 0.001 0.000 0.341 358 Y C -0.767 175.162 175.900 0.047 0.000 0.965 358 Y CA -1.079 57.057 58.100 0.060 0.000 1.067 358 Y CB 1.538 40.015 38.460 0.027 0.000 1.199 358 Y HN 0.274 nan 8.280 nan 0.000 0.450 359 I N 3.697 124.330 120.570 0.105 0.000 2.466 359 I HA 0.434 4.604 4.170 -0.000 0.000 0.289 359 I C -0.632 175.456 176.117 -0.048 0.000 1.026 359 I CA -1.042 60.257 61.300 -0.003 0.000 1.078 359 I CB 1.850 39.807 38.000 -0.071 0.000 1.249 359 I HN 0.360 nan 8.210 nan 0.000 0.429 360 V N 1.182 121.025 119.914 -0.117 0.000 2.546 360 V HA 0.523 4.643 4.120 -0.000 0.000 0.284 360 V C -0.402 175.601 176.094 -0.152 0.000 1.050 360 V CA -0.222 61.978 62.300 -0.167 0.000 0.981 360 V CB 1.384 33.087 31.823 -0.200 0.000 0.990 360 V HN 0.701 nan 8.190 nan 0.000 0.474 361 D N 3.332 123.662 120.400 -0.117 0.000 2.381 361 D HA 0.575 5.215 4.640 -0.000 0.000 0.235 361 D C 0.507 176.730 176.300 -0.128 0.000 1.068 361 D CA 0.374 54.321 54.000 -0.087 0.000 0.832 361 D CB 1.940 42.727 40.800 -0.023 0.000 1.101 361 D HN 0.746 nan 8.370 nan 0.000 0.515 362 G N 2.600 111.333 108.800 -0.112 0.000 3.287 362 G HA2 0.004 3.964 3.960 -0.000 0.000 0.172 362 G HA3 0.004 3.964 3.960 -0.000 0.000 0.172 362 G C 0.100 174.763 174.900 -0.394 0.000 1.922 362 G CA -0.366 44.697 45.100 -0.061 0.000 0.952 362 G HN 0.460 nan 8.290 nan 0.000 0.520 363 F N 1.847 121.619 119.950 -0.297 0.000 2.604 363 F HA 0.112 4.638 4.527 -0.001 0.000 0.393 363 F C 1.500 177.021 175.800 -0.466 0.000 1.043 363 F CA 0.609 58.396 58.000 -0.355 0.000 1.227 363 F CB 0.081 39.176 39.000 0.158 0.000 1.016 363 F HN 0.609 nan 8.300 nan 0.000 0.556 364 K N 2.131 121.801 120.400 -1.217 0.000 3.547 364 K HA -0.220 4.100 4.320 -0.000 0.000 0.309 364 K C 0.963 177.137 176.600 -0.710 0.000 1.324 364 K CA 0.873 56.608 56.287 -0.920 0.000 0.988 364 K CB -1.800 30.178 32.500 -0.870 0.000 1.261 364 K HN 0.865 nan 8.250 nan 0.000 0.444 365 G N -0.393 107.830 108.800 -0.962 0.000 2.621 365 G HA2 0.211 4.171 3.960 -0.000 0.000 0.209 365 G HA3 0.211 4.171 3.960 -0.000 0.000 0.209 365 G C -0.282 174.366 174.900 -0.420 0.000 1.379 365 G CA 0.240 45.020 45.100 -0.534 0.000 0.766 365 G HN 0.240 nan 8.290 nan 0.000 0.599 366 Y N -0.229 120.037 120.300 -0.056 0.000 3.305 366 Y HA -0.186 4.365 4.550 0.001 0.000 0.209 366 Y C 0.681 176.653 175.900 0.119 0.000 1.354 366 Y CA -0.476 57.638 58.100 0.023 0.000 1.392 366 Y CB -2.740 35.739 38.460 0.033 0.000 1.446 366 Y HN 0.718 nan 8.280 nan 0.000 0.553 367 C N -2.641 116.707 119.300 0.081 0.000 3.318 367 C HA 0.866 5.326 4.460 -0.000 0.000 0.322 367 C C -0.551 174.371 174.990 -0.113 0.000 1.398 367 C CA -1.625 57.440 59.018 0.077 0.000 1.339 367 C CB 1.402 29.180 27.740 0.064 0.000 1.668 367 C HN 0.465 nan 8.230 nan 0.000 0.462 368 L N 2.291 123.437 121.223 -0.130 0.000 2.287 368 L HA 0.677 5.017 4.340 -0.000 0.000 0.287 368 L C -0.230 176.584 176.870 -0.093 0.000 1.022 368 L CA -0.191 54.534 54.840 -0.192 0.000 0.814 368 L CB 0.614 42.483 42.059 -0.318 0.000 1.217 368 L HN 0.727 nan 8.230 nan 0.000 0.420 369 R N 4.542 125.018 120.500 -0.040 0.000 2.346 369 R HA 0.431 4.771 4.340 -0.000 0.000 0.311 369 R C -0.708 175.552 176.300 -0.067 0.000 0.983 369 R CA -0.583 55.503 56.100 -0.022 0.000 0.880 369 R CB 1.127 31.474 30.300 0.080 0.000 1.100 369 R HN 0.577 nan 8.270 nan 0.000 0.453 370 K N 2.807 123.124 120.400 -0.139 0.000 2.323 370 K HA 0.273 4.593 4.320 -0.000 0.000 0.259 370 K C -1.019 175.446 176.600 -0.225 0.000 0.947 370 K CA -0.861 55.225 56.287 -0.334 0.000 0.819 370 K CB 1.139 33.437 32.500 -0.337 0.000 1.109 370 K HN 0.323 nan 8.250 nan 0.000 0.429 371 L N 4.859 125.949 121.223 -0.222 0.000 2.259 371 L HA 0.275 4.615 4.340 -0.000 0.000 0.288 371 L C -0.683 176.137 176.870 -0.083 0.000 1.051 371 L CA 0.008 54.769 54.840 -0.132 0.000 0.824 371 L CB 0.902 42.881 42.059 -0.134 0.000 1.206 371 L HN 0.630 nan 8.230 nan 0.000 0.429 372 D N 4.903 125.277 120.400 -0.043 0.000 2.336 372 D HA 0.052 4.692 4.640 -0.000 0.000 0.249 372 D C 1.380 177.702 176.300 0.036 0.000 1.213 372 D CA -0.120 53.881 54.000 0.002 0.000 0.870 372 D CB 0.838 41.654 40.800 0.026 0.000 1.076 372 D HN 0.711 nan 8.370 nan 0.000 0.483 373 I N 1.496 122.107 120.570 0.068 0.000 2.546 373 I HA -0.118 4.052 4.170 -0.000 0.000 0.255 373 I C 1.964 178.117 176.117 0.060 0.000 1.163 373 I CA 0.365 61.720 61.300 0.091 0.000 1.457 373 I CB -0.080 38.019 38.000 0.165 0.000 1.092 373 I HN 0.276 nan 8.210 nan 0.000 0.434 374 L N 0.978 122.231 121.223 0.049 0.000 2.093 374 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 374 L C 1.917 178.803 176.870 0.026 0.000 1.085 374 L CA 1.320 56.180 54.840 0.034 0.000 0.755 374 L CB -0.502 41.575 42.059 0.030 0.000 0.904 374 L HN 0.266 nan 8.230 nan 0.000 0.435 375 D N -0.186 120.232 120.400 0.029 0.000 2.323 375 D HA 0.017 4.657 4.640 -0.000 0.000 0.209 375 D C 1.448 177.784 176.300 0.060 0.000 0.973 375 D CA 0.983 55.003 54.000 0.033 0.000 0.874 375 D CB 0.036 40.852 40.800 0.027 0.000 0.930 375 D HN 0.318 nan 8.370 nan 0.000 0.521 376 G N 1.059 109.880 108.800 0.035 0.000 2.323 376 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.292 376 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.292 376 G C -0.340 174.551 174.900 -0.014 0.000 1.040 376 G CA 0.433 45.522 45.100 -0.019 0.000 0.942 376 G HN 0.414 nan 8.290 nan 0.000 0.506 377 Y N -0.743 119.482 120.300 -0.125 0.000 2.406 377 Y HA 0.537 5.087 4.550 0.001 0.000 0.340 377 Y C -0.150 175.661 175.900 -0.148 0.000 0.975 377 Y CA -1.064 56.959 58.100 -0.129 0.000 1.056 377 Y CB 2.096 40.502 38.460 -0.091 0.000 1.210 377 Y HN 0.191 nan 8.280 nan 0.000 0.448 378 V N 5.438 125.080 119.914 -0.453 0.000 2.364 378 V HA 0.489 4.609 4.120 -0.000 0.000 0.272 378 V C -0.447 175.508 176.094 -0.231 0.000 1.036 378 V CA -0.232 61.877 62.300 -0.319 0.000 0.880 378 V CB 0.956 32.533 31.823 -0.410 0.000 0.991 378 V HN 0.835 nan 8.190 nan 0.000 0.460 379 S N 2.655 118.340 115.700 -0.025 0.000 2.566 379 S HA 0.556 5.026 4.470 -0.000 0.000 0.298 379 S C -0.070 174.515 174.600 -0.025 0.000 1.083 379 S CA -0.596 57.635 58.200 0.051 0.000 0.978 379 S CB 2.013 65.293 63.200 0.133 0.000 1.073 379 S HN 0.708 nan 8.310 nan 0.000 0.491 380 T N 2.286 116.828 114.554 -0.021 0.000 2.781 380 T HA 0.276 4.626 4.350 -0.000 0.000 0.305 380 T C 1.266 175.955 174.700 -0.019 0.000 1.001 380 T CA -0.493 61.587 62.100 -0.034 0.000 0.950 380 T CB 0.559 69.405 68.868 -0.037 0.000 0.955 380 T HN 0.543 nan 8.240 nan 0.000 0.471 381 V N 0.667 120.554 119.914 -0.045 0.000 3.590 381 V HA 0.745 4.865 4.120 -0.000 0.000 0.265 381 V C 0.606 176.636 176.094 -0.107 0.000 1.239 381 V CA 0.211 62.486 62.300 -0.042 0.000 1.117 381 V CB -0.538 31.284 31.823 -0.001 0.000 0.818 381 V HN 0.837 nan 8.190 nan 0.000 0.451 382 A N -1.015 121.736 122.820 -0.115 0.000 2.589 382 A HA 0.826 5.146 4.320 -0.000 0.000 0.296 382 A C 0.072 177.759 177.584 0.172 0.000 1.062 382 A CA -0.003 52.016 52.037 -0.030 0.000 0.686 382 A CB 0.936 19.837 19.000 -0.165 0.000 1.282 382 A HN 1.991 nan 8.150 nan 0.000 0.404 383 G N 0.221 109.100 108.800 0.132 0.000 2.663 383 G HA2 0.225 4.185 3.960 -0.000 0.000 0.686 383 G HA3 0.225 4.185 3.960 -0.000 0.000 0.686 383 G C -1.009 173.941 174.900 0.082 0.000 1.288 383 G CA -0.380 44.817 45.100 0.163 0.000 0.836 383 G HN 1.092 nan 8.290 nan 0.000 0.584 384 Q N -0.662 119.187 119.800 0.083 0.000 2.330 384 Q HA 0.553 4.893 4.340 -0.000 0.000 0.269 384 Q C 0.078 176.126 176.000 0.082 0.000 1.022 384 Q CA -1.016 54.820 55.803 0.055 0.000 0.796 384 Q CB 2.824 31.579 28.738 0.028 0.000 1.271 384 Q HN 0.621 nan 8.270 nan 0.000 0.450 385 V N 3.125 123.064 119.914 0.041 0.000 2.540 385 V HA -0.091 4.029 4.120 -0.000 0.000 0.297 385 V C 0.681 176.799 176.094 0.040 0.000 1.024 385 V CA 0.986 63.294 62.300 0.014 0.000 1.105 385 V CB 0.277 32.081 31.823 -0.033 0.000 0.938 385 V HN 0.952 nan 8.190 nan 0.000 0.482 386 D N 3.181 123.620 120.400 0.065 0.000 2.870 386 D HA -0.164 4.476 4.640 -0.000 0.000 0.228 386 D C -0.426 176.021 176.300 0.244 0.000 1.147 386 D CA 0.924 55.014 54.000 0.150 0.000 0.757 386 D CB -0.683 40.114 40.800 -0.005 0.000 1.091 386 D HN 0.353 nan 8.370 nan 0.000 0.429 387 V N 0.429 120.503 119.914 0.266 0.000 2.349 387 V HA 0.735 4.855 4.120 -0.000 0.000 0.284 387 V C 0.574 176.666 176.094 -0.003 0.000 1.014 387 V CA -0.411 61.952 62.300 0.105 0.000 0.826 387 V CB 1.477 33.333 31.823 0.056 0.000 1.009 387 V HN 0.365 nan 8.190 nan 0.000 0.431 388 A N 4.593 127.261 122.820 -0.254 0.000 2.366 388 A HA 0.826 5.146 4.320 -0.000 0.000 0.322 388 A C 0.412 177.894 177.584 -0.170 0.000 1.397 388 A CA 0.200 51.933 52.037 -0.506 0.000 0.984 388 A CB 0.169 18.688 19.000 -0.802 0.000 1.149 388 A HN 1.112 nan 8.150 nan 0.000 0.540 389 S N 1.880 117.526 115.700 -0.090 0.000 2.755 389 S HA 0.544 5.014 4.470 -0.000 0.000 0.286 389 S C -0.780 173.798 174.600 -0.036 0.000 1.207 389 S CA -0.716 57.458 58.200 -0.042 0.000 0.892 389 S CB 0.841 64.017 63.200 -0.039 0.000 1.240 389 S HN 0.496 nan 8.310 nan 0.000 0.525 390 Q N 0.487 120.262 119.800 -0.041 0.000 2.719 390 Q HA 0.460 4.800 4.340 -0.000 0.000 0.376 390 Q C -1.104 174.847 176.000 -0.081 0.000 0.856 390 Q CA -0.040 55.727 55.803 -0.059 0.000 1.038 390 Q CB 0.554 29.288 28.738 -0.008 0.000 1.418 390 Q HN 0.576 nan 8.270 nan 0.000 0.395 391 I N 1.200 121.702 120.570 -0.113 0.000 2.496 391 I HA 0.123 4.293 4.170 -0.000 0.000 0.285 391 I C 0.094 176.130 176.117 -0.135 0.000 1.080 391 I CA -0.045 61.195 61.300 -0.100 0.000 1.404 391 I CB 0.685 38.632 38.000 -0.089 0.000 1.403 391 I HN 0.178 nan 8.210 nan 0.000 0.539 392 D N 4.142 124.488 120.400 -0.090 0.000 2.277 392 D HA 0.740 5.380 4.640 -0.000 0.000 0.250 392 D C 0.474 176.737 176.300 -0.061 0.000 1.032 392 D CA 0.130 54.080 54.000 -0.083 0.000 0.947 392 D CB 1.897 42.668 40.800 -0.049 0.000 1.159 392 D HN 0.808 nan 8.370 nan 0.000 0.460 393 G N -0.390 108.382 108.800 -0.047 0.000 2.225 393 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.203 393 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.203 393 G C -0.367 174.529 174.900 -0.007 0.000 1.335 393 G CA -0.353 44.732 45.100 -0.024 0.000 1.183 393 G HN 0.559 nan 8.290 nan 0.000 0.488 394 T N 2.890 117.443 114.554 -0.000 0.000 2.940 394 T HA 0.433 4.783 4.350 -0.000 0.000 0.309 394 T C -0.395 174.320 174.700 0.025 0.000 1.056 394 T CA -0.010 62.103 62.100 0.022 0.000 1.137 394 T CB 1.052 69.929 68.868 0.015 0.000 0.976 394 T HN 0.306 nan 8.240 nan 0.000 0.547 395 P HA -0.011 nan 4.420 nan 0.000 0.218 395 P C 1.478 178.781 177.300 0.005 0.000 1.149 395 P CA 1.028 64.167 63.100 0.066 0.000 0.817 395 P CB 0.067 31.876 31.700 0.182 0.000 0.785 396 L N -0.616 120.617 121.223 0.015 0.000 2.492 396 L HA 0.028 4.368 4.340 -0.000 0.000 0.223 396 L C 2.297 179.159 176.870 -0.013 0.000 1.132 396 L CA 0.805 55.647 54.840 0.003 0.000 0.850 396 L CB -0.523 41.543 42.059 0.013 0.000 0.966 396 L HN -0.071 nan 8.230 nan 0.000 0.454 397 E N 0.652 120.839 120.200 -0.022 0.000 2.340 397 E HA 0.128 4.478 4.350 -0.000 0.000 0.194 397 E C 1.006 177.565 176.600 -0.068 0.000 0.996 397 E CA 0.203 56.583 56.400 -0.034 0.000 0.869 397 E CB 0.287 29.972 29.700 -0.026 0.000 0.835 397 E HN 0.338 nan 8.360 nan 0.000 0.493 398 A N 1.668 124.426 122.820 -0.102 0.000 2.386 398 A HA 0.322 4.642 4.320 -0.000 0.000 0.246 398 A C 0.596 178.024 177.584 -0.259 0.000 1.089 398 A CA 0.181 52.097 52.037 -0.200 0.000 0.790 398 A CB 0.232 19.070 19.000 -0.270 0.000 1.042 398 A HN 0.144 nan 8.150 nan 0.000 0.497 399 T N -1.866 112.476 114.554 -0.353 0.000 2.906 399 T HA 0.751 5.101 4.350 -0.000 0.000 0.295 399 T C -0.751 173.652 174.700 -0.495 0.000 1.075 399 T CA -0.516 61.411 62.100 -0.289 0.000 1.005 399 T CB 1.036 69.837 68.868 -0.111 0.000 1.136 399 T HN 0.348 nan 8.240 nan 0.000 0.498 400 F N 0.797 120.771 119.950 0.040 0.000 2.579 400 F HA 0.640 5.167 4.527 0.001 0.000 0.324 400 F C 0.358 176.179 175.800 0.035 0.000 1.058 400 F CA -1.149 56.886 58.000 0.059 0.000 0.944 400 F CB 1.875 40.931 39.000 0.093 0.000 1.245 400 F HN 0.570 nan 8.300 nan 0.000 0.477 401 N N 1.495 120.360 118.700 0.275 0.000 2.626 401 N HA 0.186 4.926 4.740 -0.000 0.000 0.249 401 N C -1.409 174.338 175.510 0.395 0.000 1.021 401 N CA -0.637 52.519 53.050 0.176 0.000 0.886 401 N CB -0.170 38.406 38.487 0.148 0.000 1.149 401 N HN 0.563 nan 8.380 nan 0.000 0.517 402 Y N 0.273 120.769 120.300 0.328 0.000 2.988 402 Y HA -0.205 4.344 4.550 -0.000 0.000 0.193 402 Y C -1.907 174.187 175.900 0.323 0.000 1.388 402 Y CA 0.065 58.446 58.100 0.469 0.000 0.904 402 Y CB -1.411 37.296 38.460 0.411 0.000 1.297 402 Y HN 0.438 nan 8.280 nan 0.000 0.432 403 P HA 0.003 nan 4.420 nan 0.000 0.271 403 P C -0.027 177.379 177.300 0.177 0.000 1.220 403 P CA 0.513 63.699 63.100 0.144 0.000 0.768 403 P CB 0.918 32.521 31.700 -0.162 0.000 0.848 404 Y N 1.204 121.511 120.300 0.012 0.000 2.652 404 Y HA 0.244 4.794 4.550 0.001 0.000 0.274 404 Y C 0.511 176.343 175.900 -0.114 0.000 1.148 404 Y CA 0.409 58.527 58.100 0.029 0.000 1.219 404 Y CB 0.933 39.470 38.460 0.128 0.000 1.337 404 Y HN 0.285 nan 8.280 nan 0.000 0.490 405 D N -0.263 120.183 120.400 0.077 0.000 2.552 405 D HA 0.435 5.075 4.640 -0.000 0.000 0.239 405 D C -1.653 174.663 176.300 0.026 0.000 1.139 405 D CA -0.385 53.581 54.000 -0.057 0.000 0.914 405 D CB 2.305 43.141 40.800 0.060 0.000 1.461 405 D HN 0.068 nan 8.370 nan 0.000 0.462 406 I N 0.877 121.470 120.570 0.038 0.000 2.752 406 I HA 0.522 4.691 4.170 -0.000 0.000 0.295 406 I C -1.895 174.332 176.117 0.182 0.000 1.219 406 I CA -0.537 60.840 61.300 0.128 0.000 1.030 406 I CB 1.728 39.795 38.000 0.111 0.000 1.259 406 I HN 0.531 nan 8.210 nan 0.000 0.423 407 C N 6.668 126.119 119.300 0.251 0.000 2.642 407 C HA 0.485 4.945 4.460 -0.000 0.000 0.344 407 C C -1.093 174.072 174.990 0.291 0.000 1.110 407 C CA -0.476 58.686 59.018 0.239 0.000 1.298 407 C CB 1.030 28.867 27.740 0.162 0.000 1.827 407 C HN 0.717 nan 8.230 nan 0.000 0.467 408 Y N 4.969 125.299 120.300 0.050 0.000 2.319 408 Y HA 0.344 4.895 4.550 0.000 0.000 0.328 408 Y C 1.245 177.105 175.900 -0.067 0.000 1.133 408 Y CA 0.156 58.158 58.100 -0.163 0.000 1.265 408 Y CB 1.000 39.304 38.460 -0.260 0.000 1.218 408 Y HN 0.813 nan 8.280 nan 0.000 0.508 409 D N 1.793 121.859 120.400 -0.557 0.000 2.339 409 D HA 0.152 4.792 4.640 -0.000 0.000 0.217 409 D C 1.531 177.456 176.300 -0.625 0.000 1.050 409 D CA 0.583 54.332 54.000 -0.418 0.000 0.856 409 D CB -0.061 40.694 40.800 -0.075 0.000 0.922 409 D HN 0.881 nan 8.370 nan 0.000 0.518 410 G N 0.361 108.377 108.800 -1.308 0.000 2.199 410 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.254 410 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.254 410 G C 0.468 175.089 174.900 -0.464 0.000 0.982 410 G CA 0.257 44.909 45.100 -0.747 0.000 0.632 410 G HN 0.467 nan 8.290 nan 0.000 0.529 411 E N -0.723 119.179 120.200 -0.496 0.000 3.191 411 E HA 0.440 4.790 4.350 -0.000 0.000 0.192 411 E C 1.336 177.884 176.600 -0.086 0.000 0.972 411 E CA 0.193 56.488 56.400 -0.174 0.000 1.266 411 E CB 0.587 30.218 29.700 -0.116 0.000 1.076 411 E HN 1.347 nan 8.360 nan 0.000 0.462 412 G N 0.921 109.713 108.800 -0.013 0.000 2.175 412 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.244 412 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.244 412 G C 0.481 175.386 174.900 0.009 0.000 0.982 412 G CA -0.255 44.920 45.100 0.124 0.000 0.641 412 G HN 0.439 nan 8.290 nan 0.000 0.527 413 G N -0.147 108.562 108.800 -0.152 0.000 2.319 413 G HA2 0.574 4.534 3.960 -0.000 0.000 0.308 413 G HA3 0.574 4.534 3.960 -0.000 0.000 0.308 413 G C -0.760 173.983 174.900 -0.262 0.000 1.117 413 G CA -0.669 44.312 45.100 -0.199 0.000 0.903 413 G HN 0.277 nan 8.290 nan 0.000 0.436 414 Y N 1.305 121.549 120.300 -0.093 0.000 2.402 414 Y HA 0.394 4.944 4.550 -0.000 0.000 0.332 414 Y C -0.565 175.301 175.900 -0.057 0.000 0.960 414 Y CA -0.929 57.214 58.100 0.071 0.000 1.228 414 Y CB 1.078 39.608 38.460 0.115 0.000 1.120 414 Y HN 0.527 nan 8.280 nan 0.000 0.491 415 W N 5.141 126.538 121.300 0.162 0.000 2.361 415 W HA 0.669 5.328 4.660 -0.001 0.000 0.309 415 W C -0.687 175.897 176.519 0.108 0.000 1.122 415 W CA -0.595 56.816 57.345 0.110 0.000 1.208 415 W CB 0.748 30.230 29.460 0.036 0.000 1.246 415 W HN 0.273 nan 8.180 nan 0.000 0.490 416 I N 3.532 124.264 120.570 0.269 0.000 2.436 416 I HA 0.510 4.680 4.170 -0.000 0.000 0.289 416 I C 0.008 176.212 176.117 0.145 0.000 1.010 416 I CA -1.041 60.357 61.300 0.162 0.000 1.098 416 I CB 1.399 39.450 38.000 0.085 0.000 1.266 416 I HN 0.487 nan 8.210 nan 0.000 0.434 417 A N 6.085 128.981 122.820 0.126 0.000 2.274 417 A HA 0.579 4.899 4.320 -0.000 0.000 0.309 417 A C -0.357 177.284 177.584 0.096 0.000 1.226 417 A CA -0.436 51.656 52.037 0.091 0.000 0.853 417 A CB 0.486 19.562 19.000 0.126 0.000 1.146 417 A HN 0.736 nan 8.150 nan 0.000 0.518 418 E N 1.218 121.442 120.200 0.041 0.000 2.214 418 E HA 0.528 4.878 4.350 -0.000 0.000 0.274 418 E C 0.812 177.317 176.600 -0.158 0.000 0.977 418 E CA -0.182 56.242 56.400 0.041 0.000 0.827 418 E CB 1.888 31.642 29.700 0.090 0.000 1.130 418 E HN 0.725 nan 8.360 nan 0.000 0.394 419 A N 2.294 124.905 122.820 -0.350 0.000 1.991 419 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 419 A C 1.281 178.311 177.584 -0.923 0.000 1.487 419 A CA 0.327 51.638 52.037 -1.210 0.000 0.603 419 A CB -0.806 16.983 19.000 -2.019 0.000 1.112 419 A HN 0.856 nan 8.150 nan 0.000 0.492 420 W N 0.290 121.295 121.300 -0.492 0.000 2.525 420 W HA 0.131 4.791 4.660 -0.001 0.000 0.259 420 W C 2.242 178.710 176.519 -0.085 0.000 1.253 420 W CA 0.393 57.575 57.345 -0.272 0.000 1.262 420 W CB -0.173 29.072 29.460 -0.360 0.000 1.122 420 W HN 0.514 nan 8.180 nan 0.000 0.607 421 G N 0.572 109.446 108.800 0.122 0.000 2.443 421 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 421 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 421 G C 0.789 175.727 174.900 0.062 0.000 1.131 421 G CA 0.575 45.741 45.100 0.110 0.000 0.775 421 G HN 0.270 nan 8.290 nan 0.000 0.547 422 K N -0.943 119.456 120.400 -0.001 0.000 3.077 422 K HA -0.113 4.207 4.320 -0.000 0.000 0.264 422 K C 0.024 176.640 176.600 0.026 0.000 1.008 422 K CA 0.178 56.484 56.287 0.032 0.000 0.740 422 K CB -1.786 30.776 32.500 0.104 0.000 1.273 422 K HN 0.700 nan 8.250 nan 0.000 0.477 423 A N 0.254 123.022 122.820 -0.087 0.000 2.606 423 A HA 0.735 5.055 4.320 -0.000 0.000 0.293 423 A C -1.091 176.375 177.584 -0.197 0.000 1.082 423 A CA -0.938 51.004 52.037 -0.158 0.000 0.685 423 A CB 1.222 20.219 19.000 -0.004 0.000 1.284 423 A HN 0.115 nan 8.150 nan 0.000 0.408 424 I N 1.901 122.333 120.570 -0.230 0.000 2.336 424 I HA 0.469 4.639 4.170 -0.000 0.000 0.292 424 I C -0.041 176.104 176.117 0.046 0.000 0.991 424 I CA -0.417 60.838 61.300 -0.075 0.000 1.227 424 I CB 1.058 39.010 38.000 -0.080 0.000 1.366 424 I HN 0.625 nan 8.210 nan 0.000 0.466 425 R N 4.771 125.342 120.500 0.118 0.000 2.828 425 R HA 0.617 4.957 4.340 -0.000 0.000 0.264 425 R C -0.494 175.853 176.300 0.079 0.000 1.022 425 R CA -1.019 55.161 56.100 0.133 0.000 1.021 425 R CB 2.057 32.518 30.300 0.268 0.000 1.163 425 R HN 0.476 nan 8.270 nan 0.000 0.494 426 K N 1.252 121.633 120.400 -0.031 0.000 2.507 426 K HA 0.239 4.559 4.320 -0.000 0.000 0.252 426 K C -1.669 174.919 176.600 -0.020 0.000 0.943 426 K CA -0.653 55.479 56.287 -0.259 0.000 0.808 426 K CB 1.403 33.479 32.500 -0.707 0.000 1.142 426 K HN 0.551 nan 8.250 nan 0.000 0.426 427 Y N 3.191 123.455 120.300 -0.059 0.000 2.353 427 Y HA 0.561 5.111 4.550 -0.000 0.000 0.340 427 Y C -1.273 174.655 175.900 0.046 0.000 0.972 427 Y CA -0.816 57.310 58.100 0.043 0.000 1.157 427 Y CB 1.231 39.761 38.460 0.116 0.000 1.157 427 Y HN 0.604 nan 8.280 nan 0.000 0.495 428 A N 6.054 128.712 122.820 -0.270 0.000 2.318 428 A HA 0.765 5.085 4.320 -0.000 0.000 0.317 428 A C -1.677 175.709 177.584 -0.330 0.000 1.159 428 A CA -0.669 51.213 52.037 -0.258 0.000 0.799 428 A CB 0.898 19.797 19.000 -0.168 0.000 1.194 428 A HN 0.570 nan 8.150 nan 0.000 0.479 429 V N 3.456 123.237 119.914 -0.221 0.000 2.443 429 V HA 0.397 4.517 4.120 -0.000 0.000 0.293 429 V C -0.098 176.000 176.094 0.007 0.000 1.021 429 V CA -0.401 61.821 62.300 -0.131 0.000 0.848 429 V CB 1.049 32.809 31.823 -0.104 0.000 0.998 429 V HN 1.045 nan 8.190 nan 0.000 0.424 430 E N 0.000 120.221 120.200 0.035 0.000 2.725 430 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 430 E CA 0.000 56.456 56.400 0.093 0.000 0.976 430 E CB 0.000 29.728 29.700 0.047 0.000 0.812 430 E HN 0.000 nan 8.360 nan 0.000 0.440