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 2frv_1_D DATA FIRST_RESID 7 DATA SEQUENCE NKIVVDPITR IEGHLRIEVE VEGGKIKNAW SMSTLFRGLE MILKGRDPRD DATA SEQUENCE AQHFTQRACG VCTYVHALAS VRAVDNCVGV KIPENATLMR NLTMGAQYMH DATA SEQUENCE DHLVHFYHLH ALDWVNVANA LNADPAKAAR LANDLSPKKT TTESLKAVQA DATA SEQUENCE KVKALVESGQ LGIFTNAYFL GGHPAYVLPA EVDLIATAHY LEALRVQVKA DATA SEQUENCE ARAMAIFGAK NPHTQFTVVG GCTNYDSLRP ERIAEFRKLY KEVREFIEQV DATA SEQUENCE YITDLLAVAG FYKNWAGIGK TSNFLTCGEF PTDEYDLNSR YTPQGVIWGN DATA SEQUENCE DLSKVDDFNP DLIEEHVKYS WYEGAGAHHP YKGVTKPKWT EFHGEDRYSW DATA SEQUENCE MKAPRYKGEA FEVGPLASVL VAYAKKHEPT VKAVDLVLKT LGVGPEALFS DATA SEQUENCE TLGRTAARGI QCLTAAQEVE VWLDKLEANV KAGKDDLYTD WQYPTESQGV DATA SEQUENCE GFVNAPRGML SHWIVQRGGK IENFQLVVPS TWNLGPRCAE GKLSAVEQAL DATA SEQUENCE IGTPIADPKR PVEILRTVHS YDPCIACGVH 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 7 N HA 0.000 nan 4.740 nan 0.000 0.220 7 N C 0.000 175.529 175.510 0.032 0.000 1.280 7 N CA 0.000 53.061 53.050 0.018 0.000 0.885 7 N CB 0.000 38.495 38.487 0.014 0.000 1.341 8 K N 0.894 121.308 120.400 0.023 0.000 2.118 8 K HA 0.686 5.006 4.320 0.000 0.000 0.254 8 K C -1.080 175.545 176.600 0.042 0.000 0.961 8 K CA -0.358 55.950 56.287 0.035 0.000 0.876 8 K CB 1.036 33.529 32.500 -0.011 0.000 1.077 8 K HN 0.371 nan 8.250 nan 0.000 0.440 9 I N 2.773 123.381 120.570 0.063 0.000 2.499 9 I HA 0.275 4.445 4.170 0.000 0.000 0.288 9 I C -1.217 174.949 176.117 0.081 0.000 1.048 9 I CA -1.150 60.190 61.300 0.066 0.000 1.062 9 I CB 1.996 40.036 38.000 0.068 0.000 1.238 9 I HN 0.276 nan 8.210 nan 0.000 0.426 10 V N 7.608 127.570 119.914 0.081 0.000 2.495 10 V HA 0.624 4.744 4.120 0.000 0.000 0.298 10 V C -1.011 175.149 176.094 0.110 0.000 1.031 10 V CA -0.253 62.105 62.300 0.096 0.000 0.871 10 V CB 2.026 33.906 31.823 0.094 0.000 0.988 10 V HN 0.411 nan 8.190 nan 0.000 0.432 11 V N 6.217 126.202 119.914 0.119 0.000 2.326 11 V HA 0.620 4.740 4.120 0.000 0.000 0.281 11 V C -0.761 175.410 176.094 0.129 0.000 1.015 11 V CA -0.231 62.147 62.300 0.131 0.000 0.823 11 V CB 1.156 33.062 31.823 0.139 0.000 1.009 11 V HN 0.986 nan 8.190 nan 0.000 0.436 12 D N 5.580 126.061 120.400 0.136 0.000 2.613 12 D HA 0.441 5.081 4.640 0.000 0.000 0.230 12 D C -2.353 174.029 176.300 0.137 0.000 1.365 12 D CA -0.660 53.429 54.000 0.148 0.000 0.976 12 D CB 2.828 43.735 40.800 0.178 0.000 1.415 12 D HN 0.437 nan 8.370 nan 0.000 0.589 13 P HA 0.416 nan 4.420 nan 0.000 0.276 13 P C -0.073 177.288 177.300 0.102 0.000 1.244 13 P CA -0.613 62.566 63.100 0.130 0.000 0.801 13 P CB 1.273 33.051 31.700 0.130 0.000 1.006 14 I N 2.073 122.700 120.570 0.094 0.000 2.416 14 I HA 0.086 4.256 4.170 0.000 0.000 0.288 14 I C 1.229 177.387 176.117 0.069 0.000 1.051 14 I CA 0.059 61.396 61.300 0.062 0.000 1.375 14 I CB 1.078 39.095 38.000 0.028 0.000 1.407 14 I HN 0.540 nan 8.210 nan 0.000 0.516 15 T N 3.263 117.866 114.554 0.081 0.000 2.897 15 T HA 0.453 4.803 4.350 0.000 0.000 0.278 15 T C 0.667 175.489 174.700 0.204 0.000 0.981 15 T CA -0.785 61.369 62.100 0.089 0.000 0.973 15 T CB 1.105 69.989 68.868 0.027 0.000 1.092 15 T HN 0.636 nan 8.240 nan 0.000 0.543 16 R N -0.223 120.366 120.500 0.149 0.000 3.525 16 R HA -0.141 4.199 4.340 0.000 0.000 0.276 16 R C -0.027 176.438 176.300 0.275 0.000 1.116 16 R CA 0.913 57.109 56.100 0.159 0.000 0.745 16 R CB -2.142 28.165 30.300 0.012 0.000 1.185 16 R HN 0.809 nan 8.270 nan 0.000 0.454 17 I N -4.838 115.865 120.570 0.223 0.000 3.343 17 I HA 0.575 4.745 4.170 0.000 0.000 0.315 17 I C -0.514 175.669 176.117 0.110 0.000 1.153 17 I CA -1.145 60.275 61.300 0.201 0.000 0.952 17 I CB 2.114 40.212 38.000 0.163 0.000 1.287 17 I HN -0.224 nan 8.210 nan 0.000 0.472 18 E N 1.559 121.818 120.200 0.098 0.000 2.156 18 E HA 0.593 4.943 4.350 0.000 0.000 0.279 18 E C -0.040 176.566 176.600 0.010 0.000 0.965 18 E CA 0.571 57.005 56.400 0.056 0.000 0.789 18 E CB 1.353 31.108 29.700 0.092 0.000 1.098 18 E HN 1.075 nan 8.360 nan 0.000 0.397 19 G N 4.045 112.784 108.800 -0.101 0.000 2.728 19 G HA2 -0.183 3.777 3.960 0.000 0.000 0.294 19 G HA3 -0.183 3.777 3.960 0.000 0.000 0.294 19 G C -0.850 173.847 174.900 -0.339 0.000 1.342 19 G CA -0.605 44.376 45.100 -0.198 0.000 0.866 19 G HN 0.709 nan 8.290 nan 0.000 0.534 20 H N -0.399 118.746 119.070 0.125 0.000 2.690 20 H HA 0.537 5.093 4.556 0.000 0.000 0.289 20 H C -0.124 175.302 175.328 0.163 0.000 1.089 20 H CA -0.204 55.929 56.048 0.142 0.000 1.299 20 H CB 1.307 31.159 29.762 0.149 0.000 1.405 20 H HN 0.515 nan 8.280 nan 0.000 0.463 21 L N 3.496 124.840 121.223 0.202 0.000 2.362 21 L HA 0.450 4.790 4.340 0.000 0.000 0.271 21 L C -0.367 176.601 176.870 0.164 0.000 1.002 21 L CA -0.710 54.235 54.840 0.175 0.000 0.818 21 L CB 1.950 44.081 42.059 0.120 0.000 1.298 21 L HN 0.550 nan 8.230 nan 0.000 0.420 22 R N 5.543 126.133 120.500 0.150 0.000 2.561 22 R HA 0.641 4.981 4.340 0.000 0.000 0.297 22 R C -1.821 174.542 176.300 0.105 0.000 0.969 22 R CA -0.682 55.496 56.100 0.130 0.000 0.879 22 R CB 1.266 31.640 30.300 0.123 0.000 1.178 22 R HN 0.648 nan 8.270 nan 0.000 0.445 23 I N 3.721 124.356 120.570 0.108 0.000 2.406 23 I HA 0.329 4.499 4.170 0.000 0.000 0.290 23 I C -0.413 175.782 176.117 0.130 0.000 0.999 23 I CA -0.602 60.767 61.300 0.115 0.000 1.124 23 I CB 1.921 39.980 38.000 0.098 0.000 1.289 23 I HN 0.715 nan 8.210 nan 0.000 0.441 24 E N 5.655 125.960 120.200 0.174 0.000 2.210 24 E HA 0.596 4.946 4.350 0.000 0.000 0.266 24 E C -0.940 175.867 176.600 0.346 0.000 0.883 24 E CA -0.693 55.818 56.400 0.185 0.000 0.761 24 E CB 3.121 32.864 29.700 0.073 0.000 1.156 24 E HN 0.454 nan 8.360 nan 0.000 0.412 25 V N -0.506 119.565 119.914 0.261 0.000 3.040 25 V HA 0.549 4.669 4.120 0.000 0.000 0.312 25 V C -0.684 175.558 176.094 0.246 0.000 1.115 25 V CA -0.915 61.549 62.300 0.274 0.000 0.998 25 V CB 2.139 34.046 31.823 0.139 0.000 1.042 25 V HN 0.634 nan 8.190 nan 0.000 0.433 26 E N 1.642 121.992 120.200 0.250 0.000 2.133 26 E HA 0.645 4.995 4.350 0.000 0.000 0.274 26 E C -1.139 175.512 176.600 0.084 0.000 0.930 26 E CA -0.580 55.922 56.400 0.170 0.000 0.770 26 E CB 2.171 31.985 29.700 0.190 0.000 1.104 26 E HN 0.695 nan 8.360 nan 0.000 0.403 27 V N 2.844 122.795 119.914 0.063 0.000 2.732 27 V HA 0.441 4.561 4.120 0.000 0.000 0.310 27 V C -0.279 175.832 176.094 0.029 0.000 1.053 27 V CA -0.570 61.754 62.300 0.040 0.000 0.957 27 V CB 1.669 33.516 31.823 0.041 0.000 1.018 27 V HN 0.803 nan 8.190 nan 0.000 0.452 28 E N 1.849 122.061 120.200 0.019 0.000 2.428 28 E HA 0.492 4.842 4.350 0.000 0.000 0.307 28 E C 0.041 176.646 176.600 0.008 0.000 0.902 28 E CA -0.152 56.256 56.400 0.013 0.000 0.799 28 E CB 0.920 30.626 29.700 0.009 0.000 1.351 28 E HN 1.258 nan 8.360 nan 0.000 0.392 29 G N 2.482 111.287 108.800 0.008 0.000 2.221 29 G HA2 -0.082 3.878 3.960 0.000 0.000 0.265 29 G HA3 -0.082 3.878 3.960 0.000 0.000 0.265 29 G C 1.018 175.922 174.900 0.007 0.000 1.041 29 G CA 0.615 45.719 45.100 0.006 0.000 0.807 29 G HN 1.968 nan 8.290 nan 0.000 0.502 30 G N -1.655 107.152 108.800 0.012 0.000 2.155 30 G HA2 -0.278 3.682 3.960 0.000 0.000 0.257 30 G HA3 -0.278 3.682 3.960 0.000 0.000 0.257 30 G C 0.240 175.150 174.900 0.017 0.000 0.983 30 G CA 1.361 46.471 45.100 0.016 0.000 0.676 30 G HN 1.056 nan 8.290 nan 0.000 0.528 31 K N -0.397 120.010 120.400 0.012 0.000 2.371 31 K HA 0.607 4.927 4.320 0.000 0.000 0.251 31 K C 0.514 177.122 176.600 0.012 0.000 0.934 31 K CA -1.115 55.177 56.287 0.008 0.000 0.798 31 K CB 1.678 34.175 32.500 -0.004 0.000 1.204 31 K HN 0.154 nan 8.250 nan 0.000 0.427 32 I N 3.562 124.142 120.570 0.016 0.000 2.668 32 I HA -0.107 4.063 4.170 0.000 0.000 0.285 32 I C 1.264 177.374 176.117 -0.010 0.000 1.168 32 I CA 0.534 61.843 61.300 0.014 0.000 1.424 32 I CB 0.379 38.392 38.000 0.022 0.000 1.377 32 I HN 0.644 nan 8.210 nan 0.000 0.560 33 K N 4.636 125.026 120.400 -0.017 0.000 2.370 33 K HA 0.238 4.558 4.320 0.000 0.000 0.194 33 K C 0.213 176.758 176.600 -0.092 0.000 1.070 33 K CA 0.302 56.566 56.287 -0.038 0.000 0.998 33 K CB 0.461 32.952 32.500 -0.015 0.000 0.911 33 K HN 0.519 nan 8.250 nan 0.000 0.533 34 N N -0.410 118.208 118.700 -0.137 0.000 2.591 34 N HA 0.653 5.393 4.740 0.000 0.000 0.263 34 N C -2.056 173.165 175.510 -0.482 0.000 1.308 34 N CA -0.189 52.642 53.050 -0.365 0.000 0.837 34 N CB 2.319 40.519 38.487 -0.479 0.000 1.548 34 N HN 0.238 nan 8.380 nan 0.000 0.493 35 A N 0.794 123.088 122.820 -0.877 0.000 2.604 35 A HA 0.718 5.038 4.320 0.000 0.000 0.295 35 A C -2.032 175.059 177.584 -0.821 0.000 1.067 35 A CA -0.700 51.001 52.037 -0.560 0.000 0.683 35 A CB 1.381 20.248 19.000 -0.221 0.000 1.281 35 A HN 0.460 nan 8.150 nan 0.000 0.407 36 W N 1.043 122.239 121.300 -0.174 0.000 2.900 36 W HA 0.520 5.180 4.660 0.000 0.000 0.336 36 W C -0.097 176.368 176.519 -0.090 0.000 1.064 36 W CA -0.576 56.584 57.345 -0.308 0.000 1.237 36 W CB 2.356 31.486 29.460 -0.550 0.000 1.391 36 W HN 0.740 nan 8.180 nan 0.000 0.468 37 S N 4.402 120.257 115.700 0.258 0.000 2.420 37 S HA 0.587 5.057 4.470 0.000 0.000 0.313 37 S C -0.404 174.343 174.600 0.244 0.000 1.079 37 S CA -0.435 57.883 58.200 0.196 0.000 1.104 37 S CB -0.036 63.233 63.200 0.115 0.000 0.969 37 S HN 0.423 nan 8.310 nan 0.000 0.471 38 M N 4.304 124.000 119.600 0.159 0.000 2.047 38 M HA 0.307 4.787 4.480 0.000 0.000 0.342 38 M C -0.348 176.038 176.300 0.143 0.000 1.058 38 M CA -0.372 54.986 55.300 0.097 0.000 0.991 38 M CB 1.599 34.160 32.600 -0.066 0.000 1.474 38 M HN 0.404 nan 8.290 nan 0.000 0.419 39 S N 1.482 117.294 115.700 0.187 0.000 2.465 39 S HA 0.241 4.711 4.470 0.000 0.000 0.279 39 S C 1.065 175.979 174.600 0.524 0.000 1.201 39 S CA -0.644 57.739 58.200 0.306 0.000 1.053 39 S CB 0.613 63.980 63.200 0.279 0.000 0.953 39 S HN 0.786 nan 8.310 nan 0.000 0.488 40 T N 0.505 115.370 114.554 0.518 0.000 3.176 40 T HA 0.379 4.729 4.350 0.000 0.000 0.263 40 T C -0.084 174.894 174.700 0.462 0.000 1.021 40 T CA -0.308 62.162 62.100 0.617 0.000 0.905 40 T CB -0.464 68.704 68.868 0.500 0.000 1.057 40 T HN 0.361 nan 8.240 nan 0.000 0.558 41 L N 0.725 122.159 121.223 0.352 0.000 2.408 41 L HA 0.837 5.177 4.340 0.000 0.000 0.268 41 L C -1.852 174.979 176.870 -0.065 0.000 0.986 41 L CA -1.399 53.481 54.840 0.067 0.000 0.820 41 L CB 2.113 44.222 42.059 0.082 0.000 1.303 41 L HN 0.209 nan 8.230 nan 0.000 0.411 42 F N 4.458 124.065 119.950 -0.571 0.000 2.507 42 F HA 0.615 5.142 4.527 0.000 0.000 0.325 42 F C 0.502 176.078 175.800 -0.374 0.000 1.116 42 F CA -0.316 57.307 58.000 -0.627 0.000 0.930 42 F CB 1.828 40.001 39.000 -1.378 0.000 1.146 42 F HN 0.644 nan 8.300 nan 0.000 0.447 43 R N 2.754 122.715 120.500 -0.899 0.000 2.225 43 R HA 0.296 4.636 4.340 0.000 0.000 0.194 43 R C 0.485 176.285 176.300 -0.833 0.000 0.949 43 R CA 0.379 56.108 56.100 -0.618 0.000 1.088 43 R CB 0.464 30.571 30.300 -0.322 0.000 1.106 43 R HN 0.964 nan 8.270 nan 0.000 0.566 44 G N 1.792 109.799 108.800 -1.322 0.000 2.341 44 G HA2 -0.193 3.767 3.960 0.000 0.000 0.278 44 G HA3 -0.193 3.767 3.960 0.000 0.000 0.278 44 G C 0.262 175.009 174.900 -0.255 0.000 1.111 44 G CA -0.279 44.321 45.100 -0.833 0.000 0.982 44 G HN 0.059 nan 8.290 nan 0.000 0.502 45 L N -0.026 121.092 121.223 -0.176 0.000 2.093 45 L HA 0.085 4.425 4.340 0.000 0.000 0.208 45 L C 2.636 179.465 176.870 -0.068 0.000 1.085 45 L CA 2.620 57.408 54.840 -0.087 0.000 0.755 45 L CB -0.458 41.557 42.059 -0.074 0.000 0.904 45 L HN 0.595 nan 8.230 nan 0.000 0.435 46 E N -1.081 119.124 120.200 0.008 0.000 2.153 46 E HA -0.219 4.131 4.350 0.000 0.000 0.194 46 E C 2.175 178.793 176.600 0.029 0.000 0.988 46 E CA 1.233 57.658 56.400 0.042 0.000 0.811 46 E CB -0.237 29.538 29.700 0.125 0.000 0.746 46 E HN 0.474 nan 8.360 nan 0.000 0.466 47 M N 0.119 119.748 119.600 0.048 0.000 2.229 47 M HA -0.078 4.403 4.480 0.000 0.000 0.264 47 M C 2.143 178.433 176.300 -0.017 0.000 1.063 47 M CA 1.195 56.524 55.300 0.049 0.000 1.114 47 M CB -0.081 32.585 32.600 0.109 0.000 1.387 47 M HN 0.107 nan 8.290 nan 0.000 0.420 48 I N -0.289 120.242 120.570 -0.064 0.000 2.500 48 I HA -0.214 3.956 4.170 0.000 0.000 0.252 48 I C 2.113 178.069 176.117 -0.270 0.000 1.142 48 I CA 0.586 61.810 61.300 -0.126 0.000 1.451 48 I CB -0.133 37.817 38.000 -0.083 0.000 1.093 48 I HN 0.221 nan 8.210 nan 0.000 0.430 49 L N 0.638 121.690 121.223 -0.284 0.000 2.056 49 L HA -0.042 4.298 4.340 0.000 0.000 0.207 49 L C 1.284 178.041 176.870 -0.187 0.000 1.078 49 L CA 1.323 55.955 54.840 -0.348 0.000 0.749 49 L CB -0.759 41.117 42.059 -0.305 0.000 0.901 49 L HN 0.014 nan 8.230 nan 0.000 0.433 50 K N 0.738 121.084 120.400 -0.090 0.000 2.472 50 K HA -0.084 4.236 4.320 0.000 0.000 0.269 50 K C 1.184 177.750 176.600 -0.057 0.000 1.056 50 K CA 1.049 57.313 56.287 -0.038 0.000 1.158 50 K CB -0.608 31.881 32.500 -0.018 0.000 0.821 50 K HN 0.514 nan 8.250 nan 0.000 0.486 51 G N 3.277 112.055 108.800 -0.036 0.000 2.168 51 G HA2 -0.324 3.636 3.960 0.000 0.000 0.263 51 G HA3 -0.324 3.636 3.960 0.000 0.000 0.263 51 G C 0.399 175.267 174.900 -0.053 0.000 0.977 51 G CA 0.608 45.685 45.100 -0.038 0.000 0.659 51 G HN 0.620 nan 8.290 nan 0.000 0.533 52 R N -0.051 120.400 120.500 -0.081 0.000 2.531 52 R HA 0.387 4.727 4.340 0.000 0.000 0.260 52 R C -0.300 175.981 176.300 -0.030 0.000 1.144 52 R CA -0.623 55.424 56.100 -0.088 0.000 1.171 52 R CB 0.300 30.467 30.300 -0.221 0.000 1.199 52 R HN 0.176 nan 8.270 nan 0.000 0.594 53 D N 1.112 121.520 120.400 0.013 0.000 2.343 53 D HA 0.069 4.709 4.640 0.000 0.000 0.255 53 D C -1.703 174.677 176.300 0.133 0.000 1.187 53 D CA -1.993 52.057 54.000 0.084 0.000 0.875 53 D CB 1.341 42.220 40.800 0.131 0.000 1.136 53 D HN 0.102 nan 8.370 nan 0.000 0.469 54 P HA -0.122 nan 4.420 nan 0.000 0.218 54 P C 1.087 178.526 177.300 0.233 0.000 1.146 54 P CA 1.033 64.276 63.100 0.238 0.000 0.813 54 P CB 0.227 32.121 31.700 0.322 0.000 0.778 55 R N -0.871 119.806 120.500 0.295 0.000 2.237 55 R HA -0.080 4.260 4.340 0.000 0.000 0.219 55 R C 1.205 177.640 176.300 0.225 0.000 1.080 55 R CA 1.020 57.275 56.100 0.258 0.000 0.995 55 R CB -0.397 30.108 30.300 0.342 0.000 0.875 55 R HN 0.253 nan 8.270 nan 0.000 0.462 56 D N 0.205 120.744 120.400 0.232 0.000 2.240 56 D HA 0.040 4.680 4.640 0.000 0.000 0.206 56 D C 1.773 178.228 176.300 0.259 0.000 0.963 56 D CA 0.826 55.021 54.000 0.326 0.000 0.863 56 D CB -0.158 40.827 40.800 0.309 0.000 0.973 56 D HN 0.104 nan 8.370 nan 0.000 0.501 57 A N 1.903 124.762 122.820 0.065 0.000 1.909 57 A HA -0.376 3.944 4.320 0.000 0.000 0.221 57 A C 2.165 179.700 177.584 -0.082 0.000 1.223 57 A CA 2.970 54.931 52.037 -0.128 0.000 0.658 57 A CB -1.202 17.660 19.000 -0.229 0.000 0.831 57 A HN 0.467 nan 8.150 nan 0.000 0.462 58 Q N -1.822 117.915 119.800 -0.106 0.000 2.152 58 Q HA -0.276 4.064 4.340 0.000 0.000 0.206 58 Q C 1.830 177.696 176.000 -0.222 0.000 0.985 58 Q CA 1.943 57.632 55.803 -0.190 0.000 0.863 58 Q CB -0.668 27.898 28.738 -0.287 0.000 0.904 58 Q HN 0.816 nan 8.270 nan 0.000 0.422 59 H N -0.896 118.193 119.070 0.032 0.000 2.436 59 H HA 0.005 4.561 4.556 0.000 0.000 0.294 59 H C 1.623 176.850 175.328 -0.167 0.000 1.048 59 H CA 1.126 57.134 56.048 -0.068 0.000 1.353 59 H CB -0.147 29.563 29.762 -0.087 0.000 1.414 59 H HN 0.305 nan 8.280 nan 0.000 0.536 60 F N 1.349 121.273 119.950 -0.044 0.000 2.098 60 F HA -0.168 4.359 4.527 0.000 0.000 0.294 60 F C 2.924 178.618 175.800 -0.176 0.000 1.107 60 F CA 1.743 59.672 58.000 -0.117 0.000 1.234 60 F CB -0.702 38.202 39.000 -0.160 0.000 1.002 60 F HN 0.174 nan 8.300 nan 0.000 0.472 61 T N -2.126 112.415 114.554 -0.021 0.000 2.788 61 T HA -0.260 4.090 4.350 0.000 0.000 0.268 61 T C 1.881 176.535 174.700 -0.076 0.000 1.044 61 T CA 1.389 63.425 62.100 -0.107 0.000 1.139 61 T CB -0.715 68.113 68.868 -0.066 0.000 0.867 61 T HN 0.332 nan 8.240 nan 0.000 0.454 62 Q N 0.539 120.320 119.800 -0.032 0.000 2.197 62 Q HA -0.125 4.215 4.340 0.000 0.000 0.207 62 Q C 1.820 177.743 176.000 -0.128 0.000 0.984 62 Q CA 1.163 56.956 55.803 -0.017 0.000 0.869 62 Q CB -0.043 28.650 28.738 -0.075 0.000 0.906 62 Q HN 0.306 nan 8.270 nan 0.000 0.426 63 R N -0.548 119.818 120.500 -0.224 0.000 2.328 63 R HA 0.101 4.441 4.340 0.000 0.000 0.200 63 R C 1.391 177.654 176.300 -0.062 0.000 0.983 63 R CA 0.660 56.655 56.100 -0.175 0.000 1.062 63 R CB -0.504 29.686 30.300 -0.183 0.000 0.956 63 R HN 0.282 nan 8.270 nan 0.000 0.479 64 A N -0.957 121.775 122.820 -0.145 0.000 2.067 64 A HA -0.023 4.297 4.320 0.000 0.000 0.219 64 A C 0.664 178.239 177.584 -0.014 0.000 1.158 64 A CA 0.840 52.778 52.037 -0.165 0.000 0.661 64 A CB 0.047 18.753 19.000 -0.490 0.000 0.801 64 A HN 0.365 nan 8.150 nan 0.000 0.452 65 C N -3.069 116.283 119.300 0.086 0.000 3.046 65 C HA 0.552 5.012 4.460 0.000 0.000 0.388 65 C C 1.197 176.369 174.990 0.304 0.000 1.041 65 C CA -0.216 58.922 59.018 0.200 0.000 1.241 65 C CB 0.901 28.783 27.740 0.238 0.000 1.638 65 C HN 0.493 nan 8.230 nan 0.000 0.539 66 G N 2.680 111.608 108.800 0.213 0.000 3.088 66 G HA2 0.232 4.192 3.960 0.000 0.000 0.217 66 G HA3 0.232 4.192 3.960 0.000 0.000 0.217 66 G C 0.907 175.828 174.900 0.034 0.000 1.159 66 G CA 0.971 46.098 45.100 0.044 0.000 0.760 66 G HN 0.695 nan 8.290 nan 0.000 0.550 67 V N 0.903 120.882 119.914 0.108 0.000 2.341 67 V HA -0.043 4.077 4.120 0.000 0.000 0.240 67 V C 2.110 178.295 176.094 0.152 0.000 1.035 67 V CA 1.395 63.770 62.300 0.125 0.000 1.033 67 V CB -0.221 31.680 31.823 0.130 0.000 0.678 67 V HN 0.565 nan 8.190 nan 0.000 0.464 68 C N 0.958 120.360 119.300 0.170 0.000 2.687 68 C HA 0.477 4.937 4.460 0.000 0.000 0.490 68 C C 0.938 176.063 174.990 0.225 0.000 1.265 68 C CA -0.986 58.133 59.018 0.168 0.000 1.569 68 C CB -2.095 25.724 27.740 0.131 0.000 2.080 68 C HN 0.387 nan 8.230 nan 0.000 0.618 69 T N 0.453 115.147 114.554 0.234 0.000 2.926 69 T HA 0.280 4.630 4.350 0.000 0.000 0.307 69 T C 0.382 175.305 174.700 0.373 0.000 1.059 69 T CA 1.551 63.837 62.100 0.309 0.000 1.122 69 T CB 0.200 69.182 68.868 0.191 0.000 0.972 69 T HN 1.311 nan 8.240 nan 0.000 0.545 70 Y N 2.384 122.820 120.300 0.228 0.000 2.732 70 Y HA -0.398 4.152 4.550 0.000 0.000 0.478 70 Y C 1.692 177.653 175.900 0.101 0.000 1.224 70 Y CA 3.344 61.549 58.100 0.175 0.000 2.687 70 Y CB -2.072 36.493 38.460 0.175 0.000 1.030 70 Y HN 0.525 nan 8.280 nan 0.000 0.559 71 V N 0.057 119.830 119.914 -0.236 0.000 2.370 71 V HA -0.327 3.793 4.120 0.000 0.000 0.252 71 V C 2.173 177.973 176.094 -0.490 0.000 1.068 71 V CA 2.801 64.843 62.300 -0.430 0.000 1.061 71 V CB -0.965 30.706 31.823 -0.253 0.000 0.656 71 V HN 0.739 nan 8.190 nan 0.000 0.455 72 H N 0.445 119.423 119.070 -0.152 0.000 2.436 72 H HA 0.246 4.802 4.556 0.000 0.000 0.294 72 H C 2.525 177.780 175.328 -0.122 0.000 1.048 72 H CA 1.471 57.475 56.048 -0.074 0.000 1.353 72 H CB -0.114 29.736 29.762 0.148 0.000 1.414 72 H HN 0.621 nan 8.280 nan 0.000 0.536 73 A N 1.667 124.459 122.820 -0.048 0.000 1.877 73 A HA -0.117 4.203 4.320 0.000 0.000 0.216 73 A C 2.583 180.029 177.584 -0.230 0.000 1.186 73 A CA 0.884 52.865 52.037 -0.094 0.000 0.620 73 A CB -0.901 18.102 19.000 0.004 0.000 0.822 73 A HN 0.294 nan 8.150 nan 0.000 0.443 74 L N -0.684 120.275 121.223 -0.439 0.000 1.989 74 L HA -0.237 4.103 4.340 0.000 0.000 0.211 74 L C 2.991 179.619 176.870 -0.403 0.000 1.071 74 L CA 1.772 56.333 54.840 -0.465 0.000 0.749 74 L CB -0.606 41.039 42.059 -0.691 0.000 0.890 74 L HN 0.455 nan 8.230 nan 0.000 0.431 75 A N -1.452 121.064 122.820 -0.508 0.000 1.972 75 A HA -0.201 4.119 4.320 0.000 0.000 0.219 75 A C 2.405 179.733 177.584 -0.426 0.000 1.169 75 A CA 2.033 53.699 52.037 -0.618 0.000 0.635 75 A CB -0.531 17.813 19.000 -1.093 0.000 0.810 75 A HN 0.492 nan 8.150 nan 0.000 0.446 76 S N -0.713 114.875 115.700 -0.187 0.000 2.357 76 S HA -0.121 4.349 4.470 0.000 0.000 0.221 76 S C 2.095 176.689 174.600 -0.010 0.000 1.031 76 S CA 1.543 59.849 58.200 0.176 0.000 0.982 76 S CB -0.553 62.807 63.200 0.268 0.000 0.853 76 S HN 0.854 nan 8.310 nan 0.000 0.458 77 V N 0.749 120.585 119.914 -0.130 0.000 2.515 77 V HA -0.040 4.080 4.120 0.000 0.000 0.250 77 V C 1.978 177.935 176.094 -0.229 0.000 1.058 77 V CA 1.411 63.601 62.300 -0.184 0.000 1.064 77 V CB -0.749 30.950 31.823 -0.207 0.000 0.675 77 V HN 0.293 nan 8.190 nan 0.000 0.461 78 R N 0.850 121.195 120.500 -0.258 0.000 2.115 78 R HA 0.171 4.511 4.340 0.000 0.000 0.226 78 R C 2.527 178.639 176.300 -0.313 0.000 1.100 78 R CA 1.314 57.232 56.100 -0.303 0.000 0.980 78 R CB -0.551 29.546 30.300 -0.338 0.000 0.875 78 R HN 0.616 nan 8.270 nan 0.000 0.445 79 A N 0.597 123.250 122.820 -0.279 0.000 1.929 79 A HA -0.060 4.260 4.320 0.000 0.000 0.216 79 A C 2.204 179.678 177.584 -0.184 0.000 1.176 79 A CA 1.062 52.935 52.037 -0.274 0.000 0.628 79 A CB -0.132 18.699 19.000 -0.281 0.000 0.816 79 A HN 0.101 nan 8.150 nan 0.000 0.444 80 V N 0.277 120.102 119.914 -0.148 0.000 2.649 80 V HA -0.127 3.993 4.120 0.000 0.000 0.248 80 V C 1.914 177.848 176.094 -0.267 0.000 1.054 80 V CA 1.673 63.882 62.300 -0.151 0.000 1.073 80 V CB -0.728 31.030 31.823 -0.107 0.000 0.699 80 V HN 0.408 nan 8.190 nan 0.000 0.463 81 D N 0.871 121.093 120.400 -0.298 0.000 2.084 81 D HA -0.189 4.451 4.640 0.000 0.000 0.194 81 D C 2.051 178.264 176.300 -0.146 0.000 0.990 81 D CA 1.841 55.665 54.000 -0.292 0.000 0.826 81 D CB -0.469 40.171 40.800 -0.267 0.000 0.971 81 D HN 0.441 nan 8.370 nan 0.000 0.453 82 N N 0.193 118.790 118.700 -0.172 0.000 2.104 82 N HA -0.165 4.575 4.740 0.000 0.000 0.190 82 N C 1.866 177.384 175.510 0.013 0.000 1.024 82 N CA 1.718 54.710 53.050 -0.097 0.000 0.853 82 N CB -0.241 38.109 38.487 -0.229 0.000 1.008 82 N HN 0.337 nan 8.380 nan 0.000 0.424 83 C N -1.425 117.854 119.300 -0.034 0.000 2.522 83 C HA 0.278 4.738 4.460 0.000 0.000 0.271 83 C C 1.853 176.876 174.990 0.055 0.000 1.425 83 C CA -0.165 58.866 59.018 0.021 0.000 1.751 83 C CB -1.080 26.674 27.740 0.024 0.000 1.775 83 C HN 0.245 nan 8.230 nan 0.000 0.557 84 V N 0.805 120.736 119.914 0.028 0.000 3.528 84 V HA 0.401 4.521 4.120 0.000 0.000 0.294 84 V C 1.919 178.053 176.094 0.068 0.000 1.404 84 V CA 1.148 63.483 62.300 0.059 0.000 1.065 84 V CB -0.081 31.691 31.823 -0.085 0.000 0.904 84 V HN 0.762 nan 8.190 nan 0.000 0.435 85 G N 0.944 109.789 108.800 0.075 0.000 2.203 85 G HA2 -0.236 3.724 3.960 0.000 0.000 0.263 85 G HA3 -0.236 3.724 3.960 0.000 0.000 0.263 85 G C 0.358 175.283 174.900 0.042 0.000 1.012 85 G CA 0.701 45.845 45.100 0.074 0.000 0.749 85 G HN 0.600 nan 8.290 nan 0.000 0.512 86 V N 0.016 119.963 119.914 0.056 0.000 2.686 86 V HA 0.541 4.661 4.120 0.000 0.000 0.295 86 V C 0.416 176.560 176.094 0.082 0.000 1.055 86 V CA -0.357 61.952 62.300 0.015 0.000 1.050 86 V CB 1.419 33.202 31.823 -0.067 0.000 0.984 86 V HN 0.163 nan 8.190 nan 0.000 0.482 87 K N 7.710 128.120 120.400 0.017 0.000 2.414 87 K HA 0.354 4.674 4.320 0.000 0.000 0.251 87 K C -0.229 176.364 176.600 -0.012 0.000 1.037 87 K CA -0.413 55.891 56.287 0.029 0.000 0.980 87 K CB 1.037 33.510 32.500 -0.045 0.000 1.280 87 K HN 0.807 nan 8.250 nan 0.000 0.451 88 I N 1.022 121.582 120.570 -0.017 0.000 2.720 88 I HA 0.374 4.544 4.170 0.000 0.000 0.287 88 I C -2.229 173.869 176.117 -0.033 0.000 1.090 88 I CA -1.897 59.368 61.300 -0.059 0.000 1.384 88 I CB 0.587 38.532 38.000 -0.090 0.000 1.420 88 I HN 0.212 nan 8.210 nan 0.000 0.575 89 P HA 0.073 nan 4.420 nan 0.000 0.272 89 P C 0.390 177.678 177.300 -0.020 0.000 1.223 89 P CA -0.168 62.926 63.100 -0.009 0.000 0.784 89 P CB 0.628 32.337 31.700 0.016 0.000 0.923 90 E N 1.540 121.732 120.200 -0.013 0.000 2.097 90 E HA -0.317 4.033 4.350 0.000 0.000 0.196 90 E C 1.172 177.746 176.600 -0.043 0.000 1.000 90 E CA 1.533 57.919 56.400 -0.022 0.000 0.804 90 E CB -0.157 29.538 29.700 -0.008 0.000 0.740 90 E HN 0.323 nan 8.360 nan 0.000 0.454 91 N N -0.083 118.597 118.700 -0.033 0.000 2.309 91 N HA -0.098 4.642 4.740 0.000 0.000 0.182 91 N C 1.320 176.781 175.510 -0.081 0.000 1.018 91 N CA 1.134 54.151 53.050 -0.054 0.000 0.876 91 N CB -0.223 38.251 38.487 -0.021 0.000 0.972 91 N HN 0.260 nan 8.380 nan 0.000 0.434 92 A N -0.491 122.290 122.820 -0.065 0.000 2.016 92 A HA 0.013 4.333 4.320 0.000 0.000 0.217 92 A C 2.280 179.802 177.584 -0.104 0.000 1.162 92 A CA 1.239 53.229 52.037 -0.078 0.000 0.662 92 A CB -0.614 18.346 19.000 -0.066 0.000 0.812 92 A HN 0.197 nan 8.150 nan 0.000 0.450 93 T N 0.561 115.050 114.554 -0.107 0.000 2.701 93 T HA -0.067 4.283 4.350 0.000 0.000 0.263 93 T C 1.837 176.412 174.700 -0.209 0.000 1.040 93 T CA 1.443 63.461 62.100 -0.136 0.000 1.147 93 T CB -0.382 68.422 68.868 -0.106 0.000 0.865 93 T HN 0.360 nan 8.240 nan 0.000 0.426 94 L N 0.690 121.787 121.223 -0.211 0.000 2.012 94 L HA -0.140 4.200 4.340 0.000 0.000 0.210 94 L C 2.685 179.334 176.870 -0.367 0.000 1.073 94 L CA 1.594 56.260 54.840 -0.289 0.000 0.748 94 L CB -0.518 41.436 42.059 -0.176 0.000 0.891 94 L HN 0.325 nan 8.230 nan 0.000 0.431 95 M N -0.543 118.860 119.600 -0.328 0.000 2.213 95 M HA -0.220 4.260 4.480 0.000 0.000 0.263 95 M C 2.358 178.517 176.300 -0.235 0.000 1.062 95 M CA 1.643 56.681 55.300 -0.436 0.000 1.105 95 M CB -0.005 32.407 32.600 -0.314 0.000 1.385 95 M HN 0.044 nan 8.290 nan 0.000 0.417 96 R N 0.047 120.496 120.500 -0.084 0.000 2.115 96 R HA -0.045 4.295 4.340 0.000 0.000 0.226 96 R C 1.721 178.016 176.300 -0.009 0.000 1.100 96 R CA 1.577 57.723 56.100 0.076 0.000 0.980 96 R CB -0.206 30.108 30.300 0.023 0.000 0.875 96 R HN 0.438 nan 8.270 nan 0.000 0.445 97 N N 0.151 118.702 118.700 -0.248 0.000 2.207 97 N HA -0.048 4.692 4.740 0.000 0.000 0.182 97 N C 1.591 176.886 175.510 -0.358 0.000 1.020 97 N CA 0.909 53.692 53.050 -0.445 0.000 0.858 97 N CB -0.045 37.780 38.487 -1.103 0.000 0.991 97 N HN 0.131 nan 8.380 nan 0.000 0.427 98 L N 0.349 121.382 121.223 -0.317 0.000 2.093 98 L HA -0.112 4.228 4.340 0.000 0.000 0.208 98 L C 1.889 178.792 176.870 0.054 0.000 1.085 98 L CA 1.067 55.859 54.840 -0.079 0.000 0.755 98 L CB -0.541 41.233 42.059 -0.475 0.000 0.904 98 L HN 0.171 nan 8.230 nan 0.000 0.435 99 T N -0.682 113.833 114.554 -0.066 0.000 2.867 99 T HA -0.213 4.137 4.350 0.000 0.000 0.268 99 T C 1.730 176.448 174.700 0.030 0.000 1.057 99 T CA 1.442 63.475 62.100 -0.113 0.000 1.136 99 T CB -0.098 68.458 68.868 -0.520 0.000 0.874 99 T HN 0.187 nan 8.240 nan 0.000 0.466 100 M N 1.578 121.313 119.600 0.225 0.000 2.288 100 M HA 0.245 4.725 4.480 0.000 0.000 0.266 100 M C 2.204 178.730 176.300 0.377 0.000 1.072 100 M CA 1.298 56.840 55.300 0.403 0.000 1.132 100 M CB -0.818 31.977 32.600 0.324 0.000 1.386 100 M HN 0.159 nan 8.290 nan 0.000 0.432 101 G N -0.360 108.667 108.800 0.378 0.000 2.421 101 G HA2 -0.127 3.833 3.960 0.000 0.000 0.216 101 G HA3 -0.127 3.833 3.960 0.000 0.000 0.216 101 G C 1.569 176.665 174.900 0.326 0.000 1.171 101 G CA 0.931 46.224 45.100 0.322 0.000 0.775 101 G HN 0.649 nan 8.290 nan 0.000 0.543 102 A N 0.205 123.220 122.820 0.324 0.000 1.978 102 A HA -0.106 4.214 4.320 0.000 0.000 0.220 102 A C 2.301 180.054 177.584 0.282 0.000 1.170 102 A CA 2.320 54.533 52.037 0.293 0.000 0.636 102 A CB -0.395 18.771 19.000 0.277 0.000 0.810 102 A HN 0.448 nan 8.150 nan 0.000 0.448 103 Q N -1.381 118.603 119.800 0.306 0.000 2.119 103 Q HA -0.145 4.195 4.340 0.000 0.000 0.201 103 Q C 1.622 177.838 176.000 0.360 0.000 0.972 103 Q CA 1.810 57.802 55.803 0.315 0.000 0.847 103 Q CB -0.523 28.432 28.738 0.361 0.000 0.903 103 Q HN 0.657 nan 8.270 nan 0.000 0.433 104 Y N -0.170 120.223 120.300 0.155 0.000 2.184 104 Y HA -0.063 4.487 4.550 0.000 0.000 0.290 104 Y C 2.201 178.140 175.900 0.065 0.000 1.129 104 Y CA 1.205 59.307 58.100 0.003 0.000 1.144 104 Y CB -0.571 37.988 38.460 0.165 0.000 0.995 104 Y HN 0.136 nan 8.280 nan 0.000 0.513 105 M N -1.104 118.728 119.600 0.388 0.000 2.088 105 M HA -0.334 4.146 4.480 0.000 0.000 0.256 105 M C 2.335 178.801 176.300 0.277 0.000 1.071 105 M CA 2.215 57.714 55.300 0.332 0.000 1.097 105 M CB -0.784 31.999 32.600 0.305 0.000 1.315 105 M HN 0.372 nan 8.290 nan 0.000 0.406 106 H N -0.063 119.102 119.070 0.157 0.000 2.276 106 H HA -0.174 4.382 4.556 0.000 0.000 0.301 106 H C 1.750 177.142 175.328 0.106 0.000 1.073 106 H CA 1.998 58.114 56.048 0.113 0.000 1.311 106 H CB -0.254 29.562 29.762 0.091 0.000 1.379 106 H HN 0.301 nan 8.280 nan 0.000 0.494 107 D N -0.111 120.404 120.400 0.192 0.000 2.137 107 D HA -0.184 4.456 4.640 0.000 0.000 0.189 107 D C 2.199 178.564 176.300 0.107 0.000 0.998 107 D CA 1.665 55.729 54.000 0.106 0.000 0.839 107 D CB -0.553 40.259 40.800 0.020 0.000 0.962 107 D HN 0.586 nan 8.370 nan 0.000 0.446 108 H N -0.212 118.928 119.070 0.117 0.000 2.319 108 H HA -0.095 4.461 4.556 0.000 0.000 0.297 108 H C 2.395 177.707 175.328 -0.026 0.000 1.097 108 H CA 0.621 56.743 56.048 0.123 0.000 1.285 108 H CB 0.020 29.920 29.762 0.229 0.000 1.368 108 H HN 0.121 nan 8.280 nan 0.000 0.495 109 L N 0.216 121.458 121.223 0.031 0.000 1.994 109 L HA -0.187 4.153 4.340 0.000 0.000 0.208 109 L C 2.375 179.188 176.870 -0.095 0.000 1.071 109 L CA 1.035 55.787 54.840 -0.147 0.000 0.745 109 L CB -0.194 41.867 42.059 0.004 0.000 0.892 109 L HN 0.186 nan 8.230 nan 0.000 0.431 110 V N -0.793 119.067 119.914 -0.090 0.000 2.343 110 V HA -0.337 3.783 4.120 0.000 0.000 0.247 110 V C 2.458 178.539 176.094 -0.021 0.000 1.051 110 V CA 1.900 64.170 62.300 -0.051 0.000 1.036 110 V CB -0.879 30.917 31.823 -0.044 0.000 0.654 110 V HN 0.571 nan 8.190 nan 0.000 0.451 111 H N -0.771 118.295 119.070 -0.006 0.000 2.290 111 H HA -0.249 4.307 4.556 0.000 0.000 0.298 111 H C 2.332 177.660 175.328 0.001 0.000 1.087 111 H CA 2.519 58.588 56.048 0.034 0.000 1.291 111 H CB -0.217 29.614 29.762 0.114 0.000 1.369 111 H HN 0.399 nan 8.280 nan 0.000 0.492 112 F N 1.022 120.853 119.950 -0.198 0.000 2.043 112 F HA -0.298 4.229 4.527 0.000 0.000 0.297 112 F C 1.975 177.516 175.800 -0.432 0.000 1.121 112 F CA 1.906 59.697 58.000 -0.348 0.000 1.199 112 F CB -0.928 37.751 39.000 -0.535 0.000 0.968 112 F HN 0.130 nan 8.300 nan 0.000 0.478 113 Y N -0.803 119.132 120.300 -0.607 0.000 2.206 113 Y HA -0.076 4.474 4.550 0.000 0.000 0.292 113 Y C 2.582 178.096 175.900 -0.643 0.000 1.123 113 Y CA 2.129 59.794 58.100 -0.726 0.000 1.142 113 Y CB -0.993 37.005 38.460 -0.769 0.000 1.006 113 Y HN 0.221 nan 8.280 nan 0.000 0.518 114 H N -2.509 116.465 119.070 -0.161 0.000 2.582 114 H HA 0.090 4.646 4.556 0.000 0.000 0.269 114 H C 1.282 176.563 175.328 -0.077 0.000 0.962 114 H CA 0.349 56.286 56.048 -0.185 0.000 1.230 114 H CB 0.339 29.936 29.762 -0.274 0.000 1.445 114 H HN 0.142 nan 8.280 nan 0.000 0.528 115 L N -1.103 120.054 121.223 -0.111 0.000 2.349 115 L HA 0.067 4.407 4.340 0.000 0.000 0.200 115 L C 2.057 178.697 176.870 -0.384 0.000 1.064 115 L CA 1.530 56.252 54.840 -0.197 0.000 0.821 115 L CB -0.291 41.699 42.059 -0.114 0.000 1.027 115 L HN 0.326 nan 8.230 nan 0.000 0.476 116 H N -1.845 116.879 119.070 -0.577 0.000 2.439 116 H HA 0.129 4.685 4.556 0.000 0.000 0.299 116 H C 2.078 177.286 175.328 -0.199 0.000 1.033 116 H CA 0.616 56.397 56.048 -0.445 0.000 1.348 116 H CB 0.684 30.194 29.762 -0.420 0.000 1.449 116 H HN 0.261 nan 8.280 nan 0.000 0.544 117 A N 1.365 124.034 122.820 -0.252 0.000 1.915 117 A HA -0.223 4.097 4.320 0.000 0.000 0.220 117 A C 1.906 179.511 177.584 0.035 0.000 1.198 117 A CA 1.481 53.392 52.037 -0.210 0.000 0.647 117 A CB -0.862 17.968 19.000 -0.284 0.000 0.825 117 A HN 0.337 nan 8.150 nan 0.000 0.456 118 L N 0.110 121.377 121.223 0.074 0.000 2.740 118 L HA -0.115 4.225 4.340 0.000 0.000 0.242 118 L C 0.623 177.588 176.870 0.158 0.000 1.175 118 L CA 1.463 56.407 54.840 0.174 0.000 0.859 118 L CB -0.861 41.338 42.059 0.233 0.000 0.992 118 L HN 0.359 nan 8.230 nan 0.000 0.454 119 D N -3.238 117.083 120.400 -0.132 0.000 2.417 119 D HA -0.020 4.620 4.640 0.000 0.000 0.207 119 D C 1.497 177.115 176.300 -1.136 0.000 1.075 119 D CA 0.450 54.136 54.000 -0.523 0.000 0.851 119 D CB 0.121 40.452 40.800 -0.782 0.000 0.976 119 D HN 0.362 nan 8.370 nan 0.000 0.505 120 W N 0.283 121.372 121.300 -0.352 0.000 2.873 120 W HA 0.250 4.910 4.660 0.000 0.000 0.282 120 W C 0.303 176.804 176.519 -0.031 0.000 1.118 120 W CA -0.107 56.962 57.345 -0.460 0.000 1.480 120 W CB 0.504 29.645 29.460 -0.532 0.000 0.954 120 W HN -0.358 nan 8.180 nan 0.000 0.591 121 V N 2.781 122.841 119.914 0.243 0.000 2.435 121 V HA 0.236 4.356 4.120 0.000 0.000 0.290 121 V C -0.282 175.761 176.094 -0.084 0.000 1.030 121 V CA -0.808 61.572 62.300 0.134 0.000 0.881 121 V CB 1.282 33.115 31.823 0.017 0.000 0.983 121 V HN -0.040 nan 8.190 nan 0.000 0.445 122 N N 4.333 122.881 118.700 -0.253 0.000 2.558 122 N HA 0.155 4.895 4.740 0.000 0.000 0.233 122 N C 0.733 175.737 175.510 -0.843 0.000 1.038 122 N CA -0.065 52.458 53.050 -0.877 0.000 0.934 122 N CB 1.493 39.710 38.487 -0.451 0.000 1.175 122 N HN 0.378 nan 8.380 nan 0.000 0.512 123 V N 3.170 122.377 119.914 -1.177 0.000 2.469 123 V HA -0.256 3.864 4.120 0.000 0.000 0.251 123 V C 2.294 178.105 176.094 -0.472 0.000 1.064 123 V CA 2.245 64.143 62.300 -0.669 0.000 1.066 123 V CB -0.890 30.552 31.823 -0.636 0.000 0.667 123 V HN 0.745 nan 8.190 nan 0.000 0.461 124 A N 0.121 122.701 122.820 -0.400 0.000 2.019 124 A HA -0.246 4.074 4.320 0.000 0.000 0.219 124 A C 2.035 179.527 177.584 -0.154 0.000 1.164 124 A CA 2.066 53.996 52.037 -0.179 0.000 0.644 124 A CB -0.707 18.290 19.000 -0.004 0.000 0.805 124 A HN 0.584 nan 8.150 nan 0.000 0.449 125 N N 0.102 118.692 118.700 -0.183 0.000 2.409 125 N HA 0.039 4.779 4.740 0.000 0.000 0.179 125 N C 1.597 177.031 175.510 -0.126 0.000 1.032 125 N CA 1.139 54.109 53.050 -0.132 0.000 0.898 125 N CB -0.322 38.084 38.487 -0.135 0.000 0.971 125 N HN 0.341 nan 8.380 nan 0.000 0.441 126 A N 0.424 123.148 122.820 -0.160 0.000 2.024 126 A HA -0.096 4.224 4.320 0.000 0.000 0.220 126 A C 2.108 179.628 177.584 -0.106 0.000 1.164 126 A CA 0.804 52.759 52.037 -0.137 0.000 0.643 126 A CB -0.666 18.233 19.000 -0.168 0.000 0.806 126 A HN 0.380 nan 8.150 nan 0.000 0.451 127 L N -0.267 120.893 121.223 -0.104 0.000 2.275 127 L HA -0.113 4.227 4.340 0.000 0.000 0.215 127 L C 1.163 177.997 176.870 -0.060 0.000 1.119 127 L CA 0.882 55.675 54.840 -0.079 0.000 0.790 127 L CB -0.399 41.613 42.059 -0.079 0.000 0.919 127 L HN 0.465 nan 8.230 nan 0.000 0.443 128 N N -0.032 118.631 118.700 -0.062 0.000 2.280 128 N HA 0.105 4.845 4.740 0.000 0.000 0.192 128 N C 0.519 176.000 175.510 -0.048 0.000 1.109 128 N CA 0.154 53.175 53.050 -0.049 0.000 0.855 128 N CB 0.428 38.887 38.487 -0.046 0.000 0.974 128 N HN 0.101 nan 8.380 nan 0.000 0.482 129 A N 0.890 123.677 122.820 -0.055 0.000 2.304 129 A HA 0.240 4.560 4.320 0.000 0.000 0.271 129 A C -0.204 177.357 177.584 -0.038 0.000 1.091 129 A CA -0.368 51.639 52.037 -0.050 0.000 0.812 129 A CB 0.448 19.412 19.000 -0.060 0.000 1.056 129 A HN 0.074 nan 8.150 nan 0.000 0.489 130 D N 1.536 121.918 120.400 -0.030 0.000 2.359 130 D HA 0.324 4.964 4.640 0.000 0.000 0.230 130 D C -1.480 174.807 176.300 -0.021 0.000 1.118 130 D CA -2.062 51.925 54.000 -0.022 0.000 0.844 130 D CB 1.145 41.935 40.800 -0.017 0.000 1.059 130 D HN 0.128 nan 8.370 nan 0.000 0.493 131 P HA -0.182 nan 4.420 nan 0.000 0.218 131 P C 0.990 178.283 177.300 -0.012 0.000 1.148 131 P CA 1.058 64.147 63.100 -0.019 0.000 0.822 131 P CB 0.214 31.904 31.700 -0.017 0.000 0.784 132 A N 0.607 123.422 122.820 -0.009 0.000 1.968 132 A HA -0.136 4.184 4.320 0.000 0.000 0.217 132 A C 2.364 179.946 177.584 -0.003 0.000 1.169 132 A CA 1.732 53.767 52.037 -0.004 0.000 0.638 132 A CB -1.010 17.988 19.000 -0.003 0.000 0.812 132 A HN 0.248 nan 8.150 nan 0.000 0.446 133 K N -0.239 120.157 120.400 -0.006 0.000 2.167 133 K HA 0.138 4.458 4.320 0.000 0.000 0.203 133 K C 1.979 178.577 176.600 -0.003 0.000 1.052 133 K CA 1.093 57.378 56.287 -0.003 0.000 0.956 133 K CB -0.293 32.205 32.500 -0.004 0.000 0.735 133 K HN 0.260 nan 8.250 nan 0.000 0.451 134 A N 1.325 124.139 122.820 -0.011 0.000 1.873 134 A HA -0.001 4.319 4.320 0.000 0.000 0.215 134 A C 2.403 179.983 177.584 -0.006 0.000 1.186 134 A CA 1.568 53.596 52.037 -0.015 0.000 0.616 134 A CB -0.869 18.112 19.000 -0.031 0.000 0.823 134 A HN 0.466 nan 8.150 nan 0.000 0.442 135 A N -0.229 122.590 122.820 -0.002 0.000 1.972 135 A HA -0.151 4.169 4.320 0.000 0.000 0.219 135 A C 2.233 179.825 177.584 0.013 0.000 1.169 135 A CA 1.482 53.523 52.037 0.008 0.000 0.635 135 A CB -0.432 18.573 19.000 0.009 0.000 0.810 135 A HN 0.555 nan 8.150 nan 0.000 0.446 136 R N -1.241 119.265 120.500 0.010 0.000 2.075 136 R HA -0.070 4.270 4.340 0.000 0.000 0.232 136 R C 2.094 178.405 176.300 0.017 0.000 1.126 136 R CA 1.304 57.411 56.100 0.012 0.000 0.963 136 R CB -0.513 29.793 30.300 0.009 0.000 0.858 136 R HN 0.487 nan 8.270 nan 0.000 0.435 137 L N 0.980 122.215 121.223 0.019 0.000 2.046 137 L HA -0.055 4.285 4.340 0.000 0.000 0.208 137 L C 2.209 179.100 176.870 0.035 0.000 1.077 137 L CA 1.913 56.770 54.840 0.029 0.000 0.747 137 L CB -0.855 41.223 42.059 0.033 0.000 0.896 137 L HN 0.116 nan 8.230 nan 0.000 0.432 138 A N -0.299 122.541 122.820 0.034 0.000 1.908 138 A HA -0.235 4.085 4.320 0.000 0.000 0.218 138 A C 2.057 179.672 177.584 0.051 0.000 1.181 138 A CA 1.947 54.015 52.037 0.052 0.000 0.627 138 A CB -0.812 18.216 19.000 0.047 0.000 0.818 138 A HN 0.627 nan 8.150 nan 0.000 0.445 139 N N 0.101 118.822 118.700 0.035 0.000 2.459 139 N HA -0.080 4.660 4.740 0.000 0.000 0.181 139 N C 0.336 175.856 175.510 0.017 0.000 1.046 139 N CA 1.191 54.256 53.050 0.026 0.000 0.904 139 N CB -0.219 38.280 38.487 0.020 0.000 0.964 139 N HN 0.419 nan 8.380 nan 0.000 0.444 140 D N -0.272 120.139 120.400 0.018 0.000 2.350 140 D HA 0.148 4.788 4.640 0.000 0.000 0.213 140 D C 1.758 178.062 176.300 0.006 0.000 1.031 140 D CA 0.046 54.051 54.000 0.009 0.000 0.861 140 D CB 0.444 41.250 40.800 0.009 0.000 0.926 140 D HN 0.208 nan 8.370 nan 0.000 0.520 141 L N -0.362 120.871 121.223 0.016 0.000 2.298 141 L HA 0.133 4.473 4.340 0.000 0.000 0.209 141 L C 0.891 177.759 176.870 -0.003 0.000 1.084 141 L CA 0.385 55.232 54.840 0.011 0.000 0.816 141 L CB 0.161 42.243 42.059 0.039 0.000 0.967 141 L HN -0.028 nan 8.230 nan 0.000 0.460 142 S N -2.203 113.498 115.700 0.001 0.000 2.685 142 S HA 0.488 4.958 4.470 0.000 0.000 0.282 142 S C -2.433 172.159 174.600 -0.013 0.000 1.159 142 S CA -0.972 57.217 58.200 -0.018 0.000 0.833 142 S CB 1.415 64.595 63.200 -0.034 0.000 1.151 142 S HN -0.223 nan 8.310 nan 0.000 0.485 143 P HA 0.233 nan 4.420 nan 0.000 0.249 143 P C -0.355 176.938 177.300 -0.012 0.000 1.229 143 P CA 0.244 63.333 63.100 -0.018 0.000 0.788 143 P CB 0.012 31.696 31.700 -0.026 0.000 1.072 144 K N 1.213 121.606 120.400 -0.011 0.000 2.227 144 K HA 0.228 4.548 4.320 0.000 0.000 0.280 144 K C -0.429 176.182 176.600 0.017 0.000 1.041 144 K CA -0.687 55.600 56.287 -0.001 0.000 0.905 144 K CB 0.511 33.002 32.500 -0.015 0.000 1.068 144 K HN -0.303 nan 8.250 nan 0.000 0.470 145 K N 2.302 122.713 120.400 0.018 0.000 2.379 145 K HA 0.113 4.433 4.320 0.000 0.000 0.284 145 K C -0.860 175.763 176.600 0.037 0.000 1.044 145 K CA 0.246 56.547 56.287 0.024 0.000 0.974 145 K CB 1.206 33.716 32.500 0.017 0.000 0.962 145 K HN 0.510 nan 8.250 nan 0.000 0.474 146 T N 1.868 116.448 114.554 0.043 0.000 2.859 146 T HA 0.410 4.760 4.350 0.000 0.000 0.281 146 T C -0.232 174.488 174.700 0.034 0.000 1.005 146 T CA -0.926 61.205 62.100 0.052 0.000 1.025 146 T CB 1.355 70.263 68.868 0.068 0.000 0.977 146 T HN 0.686 nan 8.240 nan 0.000 0.458 147 T N -0.928 113.644 114.554 0.031 0.000 2.918 147 T HA 0.375 4.725 4.350 0.000 0.000 0.286 147 T C 1.375 176.084 174.700 0.016 0.000 1.026 147 T CA -0.716 61.396 62.100 0.020 0.000 1.031 147 T CB 1.296 70.174 68.868 0.018 0.000 1.046 147 T HN 0.375 nan 8.240 nan 0.000 0.479 148 T N 1.768 116.328 114.554 0.009 0.000 2.684 148 T HA -0.108 4.242 4.350 0.000 0.000 0.267 148 T C 1.633 176.335 174.700 0.003 0.000 1.036 148 T CA 1.925 64.028 62.100 0.004 0.000 1.148 148 T CB -0.427 68.441 68.868 0.001 0.000 0.863 148 T HN 0.776 nan 8.240 nan 0.000 0.436 149 E N 1.753 121.956 120.200 0.005 0.000 2.058 149 E HA -0.134 4.216 4.350 0.000 0.000 0.194 149 E C 2.560 179.164 176.600 0.007 0.000 0.997 149 E CA 1.554 57.957 56.400 0.005 0.000 0.801 149 E CB -0.634 29.070 29.700 0.006 0.000 0.746 149 E HN 0.655 nan 8.360 nan 0.000 0.450 150 S N 0.468 116.176 115.700 0.014 0.000 2.382 150 S HA -0.123 4.347 4.470 0.000 0.000 0.228 150 S C 2.019 176.628 174.600 0.015 0.000 1.027 150 S CA 0.866 59.078 58.200 0.020 0.000 0.991 150 S CB -0.473 62.747 63.200 0.032 0.000 0.823 150 S HN 0.185 nan 8.310 nan 0.000 0.469 151 L N 0.858 122.086 121.223 0.008 0.000 2.056 151 L HA -0.012 4.328 4.340 0.000 0.000 0.207 151 L C 2.872 179.735 176.870 -0.012 0.000 1.078 151 L CA 1.434 56.271 54.840 -0.005 0.000 0.749 151 L CB -0.505 41.547 42.059 -0.011 0.000 0.901 151 L HN 0.348 nan 8.230 nan 0.000 0.433 152 K N 0.077 120.472 120.400 -0.009 0.000 2.103 152 K HA -0.177 4.143 4.320 0.000 0.000 0.207 152 K C 2.164 178.757 176.600 -0.012 0.000 1.048 152 K CA 1.396 57.675 56.287 -0.013 0.000 0.930 152 K CB -0.172 32.323 32.500 -0.009 0.000 0.716 152 K HN 0.285 nan 8.250 nan 0.000 0.444 153 A N 0.830 123.646 122.820 -0.005 0.000 1.898 153 A HA -0.107 4.213 4.320 0.000 0.000 0.216 153 A C 2.297 179.878 177.584 -0.006 0.000 1.181 153 A CA 1.300 53.335 52.037 -0.003 0.000 0.620 153 A CB -0.483 18.520 19.000 0.004 0.000 0.819 153 A HN 0.077 nan 8.150 nan 0.000 0.442 154 V N -0.268 119.642 119.914 -0.007 0.000 2.515 154 V HA -0.271 3.849 4.120 0.000 0.000 0.250 154 V C 2.582 178.656 176.094 -0.034 0.000 1.058 154 V CA 2.111 64.403 62.300 -0.013 0.000 1.064 154 V CB -0.791 31.023 31.823 -0.013 0.000 0.675 154 V HN 0.685 nan 8.190 nan 0.000 0.461 155 Q N -0.375 119.402 119.800 -0.037 0.000 2.167 155 Q HA -0.115 4.225 4.340 0.000 0.000 0.202 155 Q C 2.241 178.216 176.000 -0.042 0.000 0.970 155 Q CA 1.468 57.242 55.803 -0.049 0.000 0.855 155 Q CB -0.189 28.523 28.738 -0.043 0.000 0.911 155 Q HN 0.678 nan 8.270 nan 0.000 0.438 156 A N 0.248 123.051 122.820 -0.029 0.000 2.016 156 A HA -0.110 4.210 4.320 0.000 0.000 0.217 156 A C 1.789 179.361 177.584 -0.021 0.000 1.162 156 A CA 0.903 52.927 52.037 -0.022 0.000 0.662 156 A CB -0.079 18.913 19.000 -0.014 0.000 0.812 156 A HN 0.172 nan 8.150 nan 0.000 0.450 157 K N -0.434 119.953 120.400 -0.022 0.000 2.031 157 K HA -0.035 4.285 4.320 0.000 0.000 0.205 157 K C 1.858 178.439 176.600 -0.032 0.000 1.049 157 K CA 1.358 57.635 56.287 -0.016 0.000 0.939 157 K CB -0.238 32.258 32.500 -0.008 0.000 0.717 157 K HN 0.264 nan 8.250 nan 0.000 0.438 158 V N 1.777 121.655 119.914 -0.060 0.000 2.343 158 V HA -0.262 3.858 4.120 0.000 0.000 0.247 158 V C 2.269 178.317 176.094 -0.076 0.000 1.051 158 V CA 1.667 63.907 62.300 -0.100 0.000 1.036 158 V CB -0.358 31.378 31.823 -0.144 0.000 0.654 158 V HN 0.311 nan 8.190 nan 0.000 0.451 159 K N -0.020 120.347 120.400 -0.056 0.000 2.025 159 K HA -0.143 4.177 4.320 0.000 0.000 0.207 159 K C 2.274 178.858 176.600 -0.027 0.000 1.049 159 K CA 1.424 57.687 56.287 -0.041 0.000 0.933 159 K CB -0.330 32.150 32.500 -0.033 0.000 0.714 159 K HN 0.438 nan 8.250 nan 0.000 0.438 160 A N 1.198 124.005 122.820 -0.020 0.000 1.940 160 A HA -0.176 4.144 4.320 0.000 0.000 0.219 160 A C 2.033 179.615 177.584 -0.004 0.000 1.176 160 A CA 1.370 53.402 52.037 -0.009 0.000 0.631 160 A CB -0.481 18.516 19.000 -0.004 0.000 0.814 160 A HN 0.382 nan 8.150 nan 0.000 0.446 161 L N -0.716 120.502 121.223 -0.008 0.000 2.044 161 L HA -0.030 4.310 4.340 0.000 0.000 0.205 161 L C 2.343 179.216 176.870 0.006 0.000 1.075 161 L CA 1.521 56.365 54.840 0.007 0.000 0.747 161 L CB -0.298 41.769 42.059 0.014 0.000 0.903 161 L HN 0.109 nan 8.230 nan 0.000 0.435 162 V N -0.004 119.900 119.914 -0.016 0.000 2.343 162 V HA -0.280 3.840 4.120 0.000 0.000 0.247 162 V C 2.545 178.637 176.094 -0.003 0.000 1.051 162 V CA 2.063 64.355 62.300 -0.014 0.000 1.036 162 V CB -0.557 31.245 31.823 -0.036 0.000 0.654 162 V HN 0.581 nan 8.190 nan 0.000 0.451 163 E N 0.177 120.373 120.200 -0.006 0.000 2.409 163 E HA -0.159 4.191 4.350 0.000 0.000 0.198 163 E C 2.131 178.733 176.600 0.003 0.000 1.024 163 E CA 1.185 57.584 56.400 -0.003 0.000 0.861 163 E CB 0.046 29.743 29.700 -0.005 0.000 0.788 163 E HN 0.770 nan 8.360 nan 0.000 0.521 164 S N -1.658 114.047 115.700 0.008 0.000 2.486 164 S HA 0.160 4.630 4.470 0.000 0.000 0.220 164 S C 1.676 176.285 174.600 0.015 0.000 1.011 164 S CA 0.581 58.788 58.200 0.012 0.000 0.921 164 S CB 0.524 63.734 63.200 0.017 0.000 0.785 164 S HN 0.377 nan 8.310 nan 0.000 0.517 165 G N 1.053 109.863 108.800 0.017 0.000 2.205 165 G HA2 -0.264 3.696 3.960 0.000 0.000 0.261 165 G HA3 -0.264 3.696 3.960 0.000 0.000 0.261 165 G C -0.062 174.855 174.900 0.028 0.000 0.980 165 G CA 0.270 45.382 45.100 0.020 0.000 0.632 165 G HN 0.631 nan 8.290 nan 0.000 0.533 166 Q N 0.359 120.178 119.800 0.033 0.000 2.509 166 Q HA 0.608 4.948 4.340 0.000 0.000 0.230 166 Q C 1.452 177.492 176.000 0.067 0.000 1.089 166 Q CA -0.554 55.274 55.803 0.041 0.000 0.901 166 Q CB 0.823 29.580 28.738 0.033 0.000 1.208 166 Q HN 0.418 nan 8.270 nan 0.000 0.529 167 L N 1.136 122.409 121.223 0.083 0.000 2.376 167 L HA -0.037 4.303 4.340 0.000 0.000 0.219 167 L C 1.374 178.356 176.870 0.186 0.000 1.133 167 L CA 0.789 55.723 54.840 0.156 0.000 0.816 167 L CB -0.722 41.426 42.059 0.148 0.000 0.933 167 L HN 0.980 nan 8.230 nan 0.000 0.449 168 G N 2.299 111.148 108.800 0.082 0.000 2.634 168 G HA2 -0.450 3.510 3.960 0.000 0.000 0.318 168 G HA3 -0.450 3.510 3.960 0.000 0.000 0.318 168 G C 0.722 175.585 174.900 -0.062 0.000 1.207 168 G CA 0.665 45.776 45.100 0.018 0.000 0.987 168 G HN 0.439 nan 8.290 nan 0.000 0.547 169 I N -1.514 118.937 120.570 -0.198 0.000 3.334 169 I HA 0.374 4.544 4.170 0.000 0.000 0.282 169 I C 1.930 177.693 176.117 -0.589 0.000 1.313 169 I CA 1.564 62.633 61.300 -0.385 0.000 1.396 169 I CB -0.357 37.403 38.000 -0.400 0.000 1.054 169 I HN 0.208 nan 8.210 nan 0.000 0.495 170 F N 0.846 120.784 119.950 -0.020 0.000 2.727 170 F HA 0.243 4.770 4.527 -0.000 0.000 0.302 170 F C 1.222 176.957 175.800 -0.108 0.000 1.097 170 F CA -0.251 57.717 58.000 -0.054 0.000 1.330 170 F CB -0.768 38.240 39.000 0.013 0.000 1.084 170 F HN -0.147 nan 8.300 nan 0.000 0.578 171 T N 2.993 117.564 114.554 0.028 0.000 2.822 171 T HA -0.088 4.262 4.350 0.000 0.000 0.288 171 T C 0.523 175.191 174.700 -0.054 0.000 0.991 171 T CA 0.346 62.444 62.100 -0.003 0.000 1.176 171 T CB -0.237 68.626 68.868 -0.008 0.000 0.951 171 T HN 0.326 nan 8.240 nan 0.000 0.526 172 N N -0.812 117.858 118.700 -0.050 0.000 2.782 172 N HA -0.170 4.570 4.740 0.000 0.000 0.251 172 N C 0.270 175.694 175.510 -0.143 0.000 1.101 172 N CA 0.865 53.881 53.050 -0.057 0.000 0.764 172 N CB -1.787 36.690 38.487 -0.017 0.000 1.122 172 N HN 0.961 nan 8.380 nan 0.000 0.561 173 A N -0.253 122.405 122.820 -0.270 0.000 2.555 173 A HA 0.150 4.470 4.320 0.000 0.000 0.233 173 A C 1.149 178.469 177.584 -0.440 0.000 1.060 173 A CA 0.197 51.899 52.037 -0.558 0.000 0.759 173 A CB 0.092 18.416 19.000 -1.128 0.000 0.995 173 A HN 0.220 nan 8.150 nan 0.000 0.506 174 Y N 1.254 121.317 120.300 -0.395 0.000 2.403 174 Y HA -0.147 4.403 4.550 0.000 0.000 0.291 174 Y C 1.667 177.464 175.900 -0.170 0.000 1.143 174 Y CA 1.647 59.662 58.100 -0.141 0.000 1.257 174 Y CB -0.865 37.620 38.460 0.042 0.000 0.984 174 Y HN 0.786 nan 8.280 nan 0.000 0.550 175 F N -1.845 118.037 119.950 -0.113 0.000 2.765 175 F HA 0.267 4.794 4.527 0.000 0.000 0.302 175 F C 0.311 176.020 175.800 -0.151 0.000 1.111 175 F CA -0.930 56.822 58.000 -0.413 0.000 1.359 175 F CB -1.245 37.208 39.000 -0.913 0.000 1.097 175 F HN -0.287 nan 8.300 nan 0.000 0.577 176 L N 2.367 123.514 121.223 -0.128 0.000 2.534 176 L HA 0.292 4.632 4.340 0.000 0.000 0.271 176 L C 1.347 178.239 176.870 0.036 0.000 1.178 176 L CA 0.648 55.479 54.840 -0.014 0.000 0.907 176 L CB -0.091 41.924 42.059 -0.074 0.000 1.164 176 L HN 0.626 nan 8.230 nan 0.000 0.482 177 G N 2.536 111.368 108.800 0.054 0.000 2.221 177 G HA2 -0.017 3.943 3.960 0.000 0.000 0.265 177 G HA3 -0.017 3.943 3.960 0.000 0.000 0.265 177 G C 0.566 175.497 174.900 0.052 0.000 1.041 177 G CA 0.280 45.405 45.100 0.041 0.000 0.807 177 G HN 1.415 nan 8.290 nan 0.000 0.502 178 G N -1.190 107.655 108.800 0.074 0.000 2.731 178 G HA2 0.323 4.283 3.960 0.000 0.000 0.686 178 G HA3 0.323 4.283 3.960 0.000 0.000 0.686 178 G C -0.672 174.319 174.900 0.152 0.000 1.395 178 G CA 0.441 45.599 45.100 0.096 0.000 0.870 178 G HN 2.239 nan 8.290 nan 0.000 0.591 179 H N 3.291 122.429 119.070 0.112 0.000 3.087 179 H HA 0.417 4.973 4.556 0.000 0.000 0.348 179 H C -1.891 173.584 175.328 0.246 0.000 1.092 179 H CA -0.976 55.186 56.048 0.191 0.000 1.285 179 H CB 2.256 32.193 29.762 0.291 0.000 1.875 179 H HN 0.269 nan 8.280 nan 0.000 0.512 180 P HA -0.053 nan 4.420 nan 0.000 0.221 180 P C 0.877 178.430 177.300 0.422 0.000 1.145 180 P CA 1.344 64.607 63.100 0.271 0.000 0.795 180 P CB 0.111 31.875 31.700 0.107 0.000 0.775 181 A N -2.278 120.956 122.820 0.690 0.000 2.238 181 A HA 0.043 4.363 4.320 0.000 0.000 0.210 181 A C 0.261 178.006 177.584 0.268 0.000 1.179 181 A CA 0.029 52.298 52.037 0.387 0.000 0.827 181 A CB -0.750 18.387 19.000 0.229 0.000 0.856 181 A HN 0.080 nan 8.150 nan 0.000 0.488 182 Y N 0.147 120.619 120.300 0.286 0.000 2.518 182 Y HA 0.358 4.908 4.550 -0.000 0.000 0.344 182 Y C 1.009 177.019 175.900 0.183 0.000 0.982 182 Y CA -0.405 57.845 58.100 0.250 0.000 1.234 182 Y CB 1.336 39.899 38.460 0.172 0.000 1.114 182 Y HN 0.083 nan 8.280 nan 0.000 0.515 183 V N 1.546 121.594 119.914 0.224 0.000 3.319 183 V HA 0.339 4.459 4.120 0.000 0.000 0.317 183 V C 0.165 176.167 176.094 -0.153 0.000 1.411 183 V CA -0.235 62.072 62.300 0.012 0.000 1.112 183 V CB -0.745 31.048 31.823 -0.050 0.000 1.031 183 V HN 0.480 nan 8.190 nan 0.000 0.448 184 L N 1.435 122.554 121.223 -0.174 0.000 2.436 184 L HA 0.440 4.780 4.340 0.000 0.000 0.265 184 L C -1.943 174.719 176.870 -0.347 0.000 1.168 184 L CA -1.625 52.934 54.840 -0.468 0.000 0.815 184 L CB 0.121 41.992 42.059 -0.313 0.000 1.109 184 L HN 0.097 nan 8.230 nan 0.000 0.462 185 P HA 0.008 nan 4.420 nan 0.000 0.269 185 P C 0.033 177.226 177.300 -0.179 0.000 1.209 185 P CA -0.073 62.882 63.100 -0.242 0.000 0.776 185 P CB 0.786 32.350 31.700 -0.226 0.000 0.876 186 A N 2.500 125.250 122.820 -0.116 0.000 2.076 186 A HA -0.211 4.109 4.320 0.000 0.000 0.220 186 A C 1.784 179.310 177.584 -0.096 0.000 1.160 186 A CA 1.659 53.636 52.037 -0.101 0.000 0.653 186 A CB -0.842 18.112 19.000 -0.077 0.000 0.801 186 A HN 0.536 nan 8.150 nan 0.000 0.455 187 E N -0.745 119.404 120.200 -0.086 0.000 2.112 187 E HA -0.027 4.323 4.350 0.000 0.000 0.190 187 E C 1.928 178.488 176.600 -0.068 0.000 0.979 187 E CA 1.007 57.368 56.400 -0.065 0.000 0.814 187 E CB -0.205 29.472 29.700 -0.039 0.000 0.762 187 E HN 0.350 nan 8.360 nan 0.000 0.460 188 V N 1.511 121.370 119.914 -0.092 0.000 2.488 188 V HA -0.177 3.943 4.120 0.000 0.000 0.246 188 V C 1.375 177.425 176.094 -0.075 0.000 1.046 188 V CA 1.590 63.848 62.300 -0.070 0.000 1.053 188 V CB -0.364 31.385 31.823 -0.124 0.000 0.679 188 V HN 0.236 nan 8.190 nan 0.000 0.458 189 D N 0.167 120.504 120.400 -0.105 0.000 2.218 189 D HA -0.152 4.488 4.640 0.000 0.000 0.204 189 D C 1.946 178.181 176.300 -0.109 0.000 0.976 189 D CA 1.276 55.212 54.000 -0.107 0.000 0.853 189 D CB 0.158 40.872 40.800 -0.143 0.000 0.939 189 D HN 0.444 nan 8.370 nan 0.000 0.481 190 L N -0.103 121.059 121.223 -0.102 0.000 2.249 190 L HA 0.108 4.448 4.340 0.000 0.000 0.207 190 L C 2.025 178.826 176.870 -0.114 0.000 1.090 190 L CA 0.704 55.483 54.840 -0.101 0.000 0.802 190 L CB -0.003 42.004 42.059 -0.087 0.000 0.947 190 L HN -0.147 nan 8.230 nan 0.000 0.453 191 I N 0.216 120.707 120.570 -0.131 0.000 2.202 191 I HA -0.250 3.920 4.170 0.000 0.000 0.242 191 I C 2.623 178.539 176.117 -0.335 0.000 1.091 191 I CA 1.216 62.362 61.300 -0.256 0.000 1.368 191 I CB -0.506 37.394 38.000 -0.166 0.000 1.058 191 I HN 0.377 nan 8.210 nan 0.000 0.410 192 A N 0.039 122.796 122.820 -0.106 0.000 1.978 192 A HA -0.202 4.118 4.320 0.000 0.000 0.220 192 A C 2.322 179.961 177.584 0.093 0.000 1.170 192 A CA 2.396 54.473 52.037 0.066 0.000 0.636 192 A CB -0.956 18.102 19.000 0.097 0.000 0.810 192 A HN 0.405 nan 8.150 nan 0.000 0.448 193 T N -0.188 114.358 114.554 -0.014 0.000 2.896 193 T HA 0.140 4.490 4.350 0.000 0.000 0.263 193 T C 2.185 176.914 174.700 0.049 0.000 1.050 193 T CA 1.120 63.208 62.100 -0.021 0.000 1.140 193 T CB -0.264 68.530 68.868 -0.123 0.000 0.877 193 T HN 0.566 nan 8.240 nan 0.000 0.457 194 A N 0.947 123.764 122.820 -0.004 0.000 1.969 194 A HA -0.103 4.217 4.320 0.000 0.000 0.218 194 A C 1.877 179.576 177.584 0.193 0.000 1.169 194 A CA 1.272 53.340 52.037 0.052 0.000 0.635 194 A CB -0.735 18.263 19.000 -0.003 0.000 0.810 194 A HN 0.674 nan 8.150 nan 0.000 0.445 195 H N -3.505 115.631 119.070 0.109 0.000 2.436 195 H HA -0.084 4.472 4.556 0.000 0.000 0.294 195 H C 1.979 177.224 175.328 -0.139 0.000 1.048 195 H CA 1.256 57.328 56.048 0.039 0.000 1.353 195 H CB -0.086 29.744 29.762 0.113 0.000 1.414 195 H HN 0.646 nan 8.280 nan 0.000 0.536 196 Y N 1.826 122.129 120.300 0.004 0.000 2.181 196 Y HA -0.219 4.331 4.550 0.000 0.000 0.288 196 Y C 1.993 177.952 175.900 0.097 0.000 1.146 196 Y CA 1.218 59.339 58.100 0.036 0.000 1.164 196 Y CB -0.442 38.124 38.460 0.178 0.000 0.982 196 Y HN 0.048 nan 8.280 nan 0.000 0.515 197 L N -0.103 121.343 121.223 0.373 0.000 2.093 197 L HA -0.152 4.188 4.340 0.000 0.000 0.208 197 L C 2.565 179.476 176.870 0.069 0.000 1.085 197 L CA 1.706 56.684 54.840 0.230 0.000 0.755 197 L CB -0.598 41.568 42.059 0.179 0.000 0.904 197 L HN 0.218 nan 8.230 nan 0.000 0.435 198 E N 0.418 120.649 120.200 0.052 0.000 2.077 198 E HA -0.229 4.121 4.350 0.000 0.000 0.193 198 E C 2.261 178.710 176.600 -0.252 0.000 0.989 198 E CA 1.088 57.465 56.400 -0.038 0.000 0.800 198 E CB -0.019 29.736 29.700 0.091 0.000 0.746 198 E HN 0.461 nan 8.360 nan 0.000 0.452 199 A N 0.823 123.470 122.820 -0.288 0.000 2.019 199 A HA -0.143 4.177 4.320 0.000 0.000 0.219 199 A C 2.098 179.589 177.584 -0.155 0.000 1.164 199 A CA 0.807 52.611 52.037 -0.389 0.000 0.644 199 A CB -0.489 18.244 19.000 -0.446 0.000 0.805 199 A HN 0.270 nan 8.150 nan 0.000 0.449 200 L N -1.174 119.989 121.223 -0.101 0.000 2.141 200 L HA -0.141 4.199 4.340 0.000 0.000 0.209 200 L C 2.712 179.489 176.870 -0.156 0.000 1.094 200 L CA 0.874 55.597 54.840 -0.196 0.000 0.763 200 L CB -0.300 41.622 42.059 -0.228 0.000 0.908 200 L HN 0.316 nan 8.230 nan 0.000 0.437 201 R N -0.832 119.572 120.500 -0.160 0.000 2.112 201 R HA 0.016 4.356 4.340 0.000 0.000 0.216 201 R C 2.164 178.351 176.300 -0.189 0.000 1.080 201 R CA 0.781 56.793 56.100 -0.147 0.000 0.996 201 R CB -0.636 29.589 30.300 -0.125 0.000 0.902 201 R HN 0.211 nan 8.270 nan 0.000 0.449 202 V N 2.464 122.190 119.914 -0.315 0.000 2.307 202 V HA -0.281 3.839 4.120 0.000 0.000 0.245 202 V C 2.534 178.514 176.094 -0.190 0.000 1.045 202 V CA 2.136 64.221 62.300 -0.358 0.000 1.024 202 V CB -0.730 30.633 31.823 -0.766 0.000 0.651 202 V HN 0.321 nan 8.190 nan 0.000 0.449 203 Q N 0.656 120.360 119.800 -0.159 0.000 2.248 203 Q HA -0.182 4.158 4.340 0.000 0.000 0.208 203 Q C 1.821 177.877 176.000 0.095 0.000 0.984 203 Q CA 2.420 58.196 55.803 -0.045 0.000 0.875 203 Q CB -1.286 27.369 28.738 -0.138 0.000 0.910 203 Q HN 0.394 nan 8.270 nan 0.000 0.433 204 V N 0.755 120.673 119.914 0.006 0.000 2.427 204 V HA -0.221 3.899 4.120 0.000 0.000 0.248 204 V C 2.143 178.228 176.094 -0.016 0.000 1.051 204 V CA 2.183 64.483 62.300 -0.000 0.000 1.048 204 V CB -0.466 31.334 31.823 -0.038 0.000 0.666 204 V HN 0.426 nan 8.190 nan 0.000 0.456 205 K N 0.206 120.582 120.400 -0.039 0.000 2.155 205 K HA -0.017 4.303 4.320 0.000 0.000 0.203 205 K C 2.263 178.836 176.600 -0.044 0.000 1.052 205 K CA 1.267 57.520 56.287 -0.057 0.000 0.948 205 K CB -0.316 32.134 32.500 -0.083 0.000 0.728 205 K HN 0.460 nan 8.250 nan 0.000 0.448 206 A N 1.474 124.308 122.820 0.023 0.000 1.930 206 A HA -0.046 4.274 4.320 0.000 0.000 0.217 206 A C 2.324 179.928 177.584 0.033 0.000 1.175 206 A CA 1.666 53.752 52.037 0.082 0.000 0.627 206 A CB -0.476 18.668 19.000 0.239 0.000 0.815 206 A HN 0.306 nan 8.150 nan 0.000 0.443 207 A N -0.220 122.598 122.820 -0.003 0.000 1.929 207 A HA -0.069 4.251 4.320 0.000 0.000 0.216 207 A C 2.231 179.749 177.584 -0.111 0.000 1.176 207 A CA 1.456 53.390 52.037 -0.171 0.000 0.628 207 A CB -0.434 18.448 19.000 -0.197 0.000 0.816 207 A HN 0.548 nan 8.150 nan 0.000 0.444 208 R N -0.209 120.241 120.500 -0.083 0.000 2.092 208 R HA -0.032 4.308 4.340 0.000 0.000 0.231 208 R C 2.174 178.409 176.300 -0.108 0.000 1.119 208 R CA 1.369 57.416 56.100 -0.088 0.000 0.970 208 R CB -0.372 29.881 30.300 -0.077 0.000 0.864 208 R HN 0.390 nan 8.270 nan 0.000 0.440 209 A N 1.330 124.068 122.820 -0.136 0.000 1.898 209 A HA -0.190 4.130 4.320 0.000 0.000 0.216 209 A C 2.210 179.783 177.584 -0.017 0.000 1.181 209 A CA 1.500 53.404 52.037 -0.222 0.000 0.620 209 A CB -0.539 18.189 19.000 -0.453 0.000 0.819 209 A HN 0.544 nan 8.150 nan 0.000 0.442 210 M N -0.261 119.333 119.600 -0.011 0.000 2.213 210 M HA -0.064 4.416 4.480 0.000 0.000 0.263 210 M C 2.010 178.258 176.300 -0.088 0.000 1.062 210 M CA 1.643 56.955 55.300 0.019 0.000 1.105 210 M CB -0.161 32.417 32.600 -0.037 0.000 1.385 210 M HN 0.360 nan 8.290 nan 0.000 0.417 211 A N 0.171 122.924 122.820 -0.111 0.000 2.119 211 A HA -0.007 4.313 4.320 0.000 0.000 0.217 211 A C 1.911 179.392 177.584 -0.172 0.000 1.153 211 A CA 0.964 52.923 52.037 -0.130 0.000 0.692 211 A CB -0.870 18.073 19.000 -0.096 0.000 0.799 211 A HN 0.626 nan 8.150 nan 0.000 0.458 212 I N -1.791 118.650 120.570 -0.215 0.000 2.202 212 I HA -0.195 3.975 4.170 0.000 0.000 0.242 212 I C 2.006 177.807 176.117 -0.526 0.000 1.091 212 I CA 1.286 62.374 61.300 -0.354 0.000 1.368 212 I CB -0.191 37.592 38.000 -0.361 0.000 1.058 212 I HN 0.332 nan 8.210 nan 0.000 0.410 213 F N 0.062 119.890 119.950 -0.203 0.000 2.270 213 F HA 0.109 4.636 4.527 0.000 0.000 0.295 213 F C 2.434 177.740 175.800 -0.823 0.000 1.087 213 F CA 0.877 58.610 58.000 -0.446 0.000 1.365 213 F CB -1.266 37.418 39.000 -0.526 0.000 1.056 213 F HN -0.049 nan 8.300 nan 0.000 0.506 214 G N -1.155 107.273 108.800 -0.619 0.000 2.920 214 G HA2 0.276 4.236 3.960 0.000 0.000 0.208 214 G HA3 0.276 4.236 3.960 0.000 0.000 0.208 214 G C 1.383 176.161 174.900 -0.204 0.000 1.159 214 G CA 0.811 45.500 45.100 -0.685 0.000 0.784 214 G HN 0.507 nan 8.290 nan 0.000 0.535 215 A N -0.718 122.030 122.820 -0.120 0.000 1.475 215 A HA -0.183 4.137 4.320 0.000 0.000 0.222 215 A C 0.856 178.429 177.584 -0.019 0.000 0.487 215 A CA 1.898 53.928 52.037 -0.012 0.000 1.107 215 A CB -1.550 17.497 19.000 0.079 0.000 1.460 215 A HN 1.271 nan 8.150 nan 0.000 0.719 216 K N -0.630 119.765 120.400 -0.009 0.000 2.579 216 K HA 0.658 4.978 4.320 0.000 0.000 0.284 216 K C -1.026 175.568 176.600 -0.011 0.000 0.990 216 K CA -0.143 56.138 56.287 -0.010 0.000 0.880 216 K CB 1.288 33.801 32.500 0.020 0.000 1.488 216 K HN 0.788 nan 8.250 nan 0.000 0.425 217 N N 1.196 119.874 118.700 -0.037 0.000 2.500 217 N HA 0.411 5.151 4.740 0.000 0.000 0.291 217 N C -2.726 172.738 175.510 -0.076 0.000 1.092 217 N CA -1.066 51.946 53.050 -0.064 0.000 0.890 217 N CB 1.625 40.041 38.487 -0.118 0.000 1.466 217 N HN 0.507 nan 8.380 nan 0.000 0.507 218 P HA 0.329 nan 4.420 nan 0.000 0.274 218 P C -1.279 176.002 177.300 -0.032 0.000 1.246 218 P CA 0.088 63.109 63.100 -0.131 0.000 0.795 218 P CB 0.379 31.901 31.700 -0.296 0.000 1.006 219 H N -1.693 117.427 119.070 0.082 0.000 3.101 219 H HA -0.101 4.455 4.556 0.000 0.000 0.350 219 H C 0.093 175.503 175.328 0.137 0.000 1.157 219 H CA 0.301 56.419 56.048 0.115 0.000 1.141 219 H CB -2.239 27.575 29.762 0.086 0.000 1.595 219 H HN 0.627 nan 8.280 nan 0.000 0.406 220 T N -1.065 113.674 114.554 0.308 0.000 2.856 220 T HA 0.229 4.579 4.350 0.000 0.000 0.329 220 T C 0.714 175.618 174.700 0.340 0.000 1.094 220 T CA -0.051 62.226 62.100 0.296 0.000 1.112 220 T CB 1.766 70.844 68.868 0.349 0.000 1.009 220 T HN 0.610 nan 8.240 nan 0.000 0.550 221 Q N 1.233 121.251 119.800 0.364 0.000 3.966 221 Q HA 0.373 4.713 4.340 0.000 0.000 0.198 221 Q C -0.987 175.228 176.000 0.360 0.000 0.872 221 Q CA -0.532 55.459 55.803 0.313 0.000 0.767 221 Q CB 0.207 29.072 28.738 0.210 0.000 1.516 221 Q HN 0.847 nan 8.270 nan 0.000 0.434 222 F N -1.948 118.063 119.950 0.102 0.000 3.021 222 F HA 0.326 4.853 4.527 0.000 0.000 0.376 222 F C -0.131 175.710 175.800 0.067 0.000 1.075 222 F CA 0.056 58.098 58.000 0.069 0.000 1.073 222 F CB 0.078 39.107 39.000 0.049 0.000 1.243 222 F HN 0.004 nan 8.300 nan 0.000 0.540 223 T N 1.420 115.593 114.554 -0.635 0.000 2.902 223 T HA 0.789 5.139 4.350 0.000 0.000 0.283 223 T C -0.352 174.230 174.700 -0.197 0.000 1.009 223 T CA -0.051 61.692 62.100 -0.595 0.000 1.051 223 T CB 2.072 70.603 68.868 -0.562 0.000 0.999 223 T HN 0.796 nan 8.240 nan 0.000 0.474 224 V N -1.031 118.810 119.914 -0.122 0.000 3.188 224 V HA 0.712 4.832 4.120 0.000 0.000 0.305 224 V C -0.320 175.749 176.094 -0.042 0.000 1.232 224 V CA -1.387 60.922 62.300 0.015 0.000 1.043 224 V CB 1.455 33.388 31.823 0.184 0.000 1.068 224 V HN 0.811 nan 8.190 nan 0.000 0.439 225 V N 2.459 122.334 119.914 -0.065 0.000 2.479 225 V HA 0.561 4.681 4.120 0.000 0.000 0.281 225 V C 1.531 177.435 176.094 -0.316 0.000 1.031 225 V CA 1.729 63.824 62.300 -0.341 0.000 1.038 225 V CB -0.146 31.302 31.823 -0.625 0.000 0.981 225 V HN 1.882 nan 8.190 nan 0.000 0.478 226 G N 3.093 111.670 108.800 -0.371 0.000 2.253 226 G HA2 0.186 4.146 3.960 0.000 0.000 0.209 226 G HA3 0.186 4.146 3.960 0.000 0.000 0.209 226 G C 0.552 175.272 174.900 -0.300 0.000 0.997 226 G CA -0.070 44.790 45.100 -0.400 0.000 0.640 226 G HN 1.832 nan 8.290 nan 0.000 0.496 227 G N -1.639 107.093 108.800 -0.114 0.000 2.480 227 G HA2 0.432 4.392 3.960 0.000 0.000 0.109 227 G HA3 0.432 4.392 3.960 0.000 0.000 0.109 227 G C -0.653 174.217 174.900 -0.050 0.000 1.172 227 G CA 0.566 45.639 45.100 -0.044 0.000 1.091 227 G HN 1.361 nan 8.290 nan 0.000 0.464 228 C N -0.483 118.801 119.300 -0.026 0.000 2.971 228 C HA 0.792 5.252 4.460 0.000 0.000 0.310 228 C C 1.538 176.468 174.990 -0.100 0.000 1.285 228 C CA 0.436 59.384 59.018 -0.118 0.000 1.593 228 C CB 1.369 29.055 27.740 -0.091 0.000 2.076 228 C HN 1.259 nan 8.230 nan 0.000 0.472 229 T N -2.694 111.802 114.554 -0.097 0.000 2.971 229 T HA 0.066 4.416 4.350 0.000 0.000 0.252 229 T C 0.410 175.013 174.700 -0.161 0.000 1.022 229 T CA 0.300 62.328 62.100 -0.120 0.000 0.980 229 T CB -0.325 68.556 68.868 0.023 0.000 1.044 229 T HN 0.526 nan 8.240 nan 0.000 0.501 230 N N 1.324 119.997 118.700 -0.045 0.000 2.671 230 N HA 0.145 4.885 4.740 0.000 0.000 0.274 230 N C -0.223 175.256 175.510 -0.052 0.000 1.188 230 N CA -0.378 52.690 53.050 0.029 0.000 1.065 230 N CB -0.396 38.200 38.487 0.183 0.000 1.415 230 N HN 0.415 nan 8.380 nan 0.000 0.511 231 Y N 0.141 120.497 120.300 0.093 0.000 2.395 231 Y HA -0.046 4.504 4.550 0.000 0.000 0.293 231 Y C 1.976 177.913 175.900 0.062 0.000 1.123 231 Y CA 0.437 58.579 58.100 0.071 0.000 1.227 231 Y CB 0.005 38.495 38.460 0.049 0.000 1.012 231 Y HN 0.415 nan 8.280 nan 0.000 0.552 232 D N -0.108 120.403 120.400 0.186 0.000 2.144 232 D HA -0.184 4.456 4.640 0.000 0.000 0.199 232 D C 2.149 178.497 176.300 0.080 0.000 0.984 232 D CA 1.675 55.742 54.000 0.113 0.000 0.834 232 D CB -0.112 40.736 40.800 0.080 0.000 0.955 232 D HN 0.237 nan 8.370 nan 0.000 0.465 233 S N -0.874 114.874 115.700 0.080 0.000 2.561 233 S HA -0.041 4.429 4.470 0.000 0.000 0.225 233 S C 1.606 176.278 174.600 0.119 0.000 0.977 233 S CA -0.020 58.215 58.200 0.059 0.000 0.926 233 S CB -0.195 63.029 63.200 0.040 0.000 0.769 233 S HN 0.183 nan 8.310 nan 0.000 0.533 234 L N 1.628 122.926 121.223 0.125 0.000 2.610 234 L HA 0.305 4.645 4.340 0.000 0.000 0.232 234 L C 0.921 177.844 176.870 0.088 0.000 1.149 234 L CA 0.479 55.388 54.840 0.115 0.000 0.872 234 L CB -0.869 41.267 42.059 0.128 0.000 0.992 234 L HN 0.296 nan 8.230 nan 0.000 0.447 235 R N -0.090 120.454 120.500 0.073 0.000 2.441 235 R HA 0.158 4.498 4.340 0.000 0.000 0.284 235 R C -1.345 174.983 176.300 0.047 0.000 1.070 235 R CA -1.581 54.551 56.100 0.054 0.000 1.047 235 R CB -0.116 30.210 30.300 0.042 0.000 1.016 235 R HN -0.131 nan 8.270 nan 0.000 0.477 236 P HA -0.207 nan 4.420 nan 0.000 0.216 236 P C 0.340 177.663 177.300 0.038 0.000 1.153 236 P CA 1.331 64.456 63.100 0.041 0.000 0.858 236 P CB 0.308 32.029 31.700 0.034 0.000 0.789 237 E N -0.385 119.833 120.200 0.030 0.000 2.038 237 E HA -0.171 4.179 4.350 0.000 0.000 0.195 237 E C 2.019 178.631 176.600 0.020 0.000 1.000 237 E CA 1.179 57.593 56.400 0.023 0.000 0.803 237 E CB -0.980 28.730 29.700 0.015 0.000 0.750 237 E HN 0.187 nan 8.360 nan 0.000 0.448 238 R N 0.202 120.708 120.500 0.011 0.000 2.193 238 R HA 0.018 4.358 4.340 0.000 0.000 0.229 238 R C 2.323 178.619 176.300 -0.006 0.000 1.110 238 R CA 0.749 56.839 56.100 -0.018 0.000 0.988 238 R CB -0.452 29.821 30.300 -0.044 0.000 0.871 238 R HN 0.322 nan 8.270 nan 0.000 0.458 239 I N 0.271 120.866 120.570 0.042 0.000 2.584 239 I HA -0.097 4.073 4.170 0.000 0.000 0.255 239 I C 2.358 178.560 176.117 0.143 0.000 1.145 239 I CA 0.614 61.968 61.300 0.091 0.000 1.462 239 I CB -0.216 37.836 38.000 0.087 0.000 1.102 239 I HN 0.043 nan 8.210 nan 0.000 0.433 240 A N 0.420 123.298 122.820 0.098 0.000 1.877 240 A HA -0.238 4.082 4.320 0.000 0.000 0.216 240 A C 2.227 179.869 177.584 0.097 0.000 1.186 240 A CA 1.632 53.725 52.037 0.092 0.000 0.620 240 A CB -0.568 18.466 19.000 0.057 0.000 0.822 240 A HN 0.374 nan 8.150 nan 0.000 0.443 241 E N -1.356 118.887 120.200 0.071 0.000 2.038 241 E HA -0.221 4.129 4.350 0.000 0.000 0.195 241 E C 1.793 178.427 176.600 0.056 0.000 1.000 241 E CA 1.564 57.989 56.400 0.041 0.000 0.803 241 E CB -0.270 29.435 29.700 0.007 0.000 0.750 241 E HN 0.643 nan 8.360 nan 0.000 0.448 242 F N 1.518 121.428 119.950 -0.068 0.000 2.102 242 F HA -0.179 4.348 4.527 0.000 0.000 0.298 242 F C 2.466 178.308 175.800 0.070 0.000 1.105 242 F CA 1.771 59.733 58.000 -0.063 0.000 1.239 242 F CB -0.204 38.689 39.000 -0.178 0.000 0.991 242 F HN -0.168 nan 8.300 nan 0.000 0.474 243 R N 0.688 121.427 120.500 0.398 0.000 2.083 243 R HA -0.194 4.146 4.340 0.000 0.000 0.237 243 R C 2.474 178.887 176.300 0.188 0.000 1.137 243 R CA 1.783 58.096 56.100 0.355 0.000 0.951 243 R CB -0.380 30.091 30.300 0.286 0.000 0.851 243 R HN 0.257 nan 8.270 nan 0.000 0.434 244 K N 0.400 120.852 120.400 0.088 0.000 2.009 244 K HA -0.161 4.159 4.320 0.000 0.000 0.210 244 K C 2.213 178.793 176.600 -0.033 0.000 1.049 244 K CA 1.644 57.944 56.287 0.022 0.000 0.929 244 K CB -0.194 32.310 32.500 0.007 0.000 0.714 244 K HN 0.216 nan 8.250 nan 0.000 0.440 245 L N -0.126 121.051 121.223 -0.077 0.000 2.017 245 L HA -0.227 4.113 4.340 0.000 0.000 0.208 245 L C 2.541 179.330 176.870 -0.135 0.000 1.073 245 L CA 1.333 56.098 54.840 -0.125 0.000 0.745 245 L CB -0.701 41.248 42.059 -0.184 0.000 0.894 245 L HN 0.240 nan 8.230 nan 0.000 0.432 246 Y N 1.309 121.425 120.300 -0.307 0.000 2.081 246 Y HA -0.321 4.229 4.550 0.000 0.000 0.280 246 Y C 2.484 178.330 175.900 -0.089 0.000 1.163 246 Y CA 1.630 59.579 58.100 -0.251 0.000 1.135 246 Y CB -0.309 37.989 38.460 -0.269 0.000 0.970 246 Y HN 0.015 nan 8.280 nan 0.000 0.498 247 K N 0.054 120.220 120.400 -0.390 0.000 2.026 247 K HA -0.203 4.117 4.320 0.000 0.000 0.208 247 K C 2.061 178.517 176.600 -0.239 0.000 1.048 247 K CA 1.886 57.934 56.287 -0.398 0.000 0.929 247 K CB -0.303 32.093 32.500 -0.173 0.000 0.713 247 K HN 0.407 nan 8.250 nan 0.000 0.439 248 E N 0.550 120.666 120.200 -0.140 0.000 2.070 248 E HA -0.196 4.154 4.350 0.000 0.000 0.197 248 E C 2.019 178.586 176.600 -0.056 0.000 1.004 248 E CA 1.609 57.961 56.400 -0.079 0.000 0.805 248 E CB -0.037 29.623 29.700 -0.067 0.000 0.744 248 E HN 0.037 nan 8.360 nan 0.000 0.451 249 V N 0.668 120.532 119.914 -0.082 0.000 2.358 249 V HA -0.233 3.887 4.120 0.000 0.000 0.246 249 V C 2.362 178.471 176.094 0.025 0.000 1.047 249 V CA 1.772 64.068 62.300 -0.007 0.000 1.035 249 V CB -0.507 31.312 31.823 -0.007 0.000 0.658 249 V HN 0.217 nan 8.190 nan 0.000 0.452 250 R N 0.099 120.510 120.500 -0.149 0.000 2.083 250 R HA -0.236 4.104 4.340 0.000 0.000 0.237 250 R C 2.360 178.627 176.300 -0.054 0.000 1.137 250 R CA 2.187 58.193 56.100 -0.156 0.000 0.951 250 R CB -0.212 29.821 30.300 -0.445 0.000 0.851 250 R HN 0.601 nan 8.270 nan 0.000 0.434 251 E N -0.615 119.546 120.200 -0.065 0.000 2.085 251 E HA -0.228 4.122 4.350 0.000 0.000 0.194 251 E C 1.672 178.286 176.600 0.023 0.000 0.994 251 E CA 1.648 58.031 56.400 -0.028 0.000 0.801 251 E CB -0.220 29.462 29.700 -0.030 0.000 0.743 251 E HN 0.312 nan 8.360 nan 0.000 0.453 252 F N 0.718 120.639 119.950 -0.050 0.000 2.171 252 F HA -0.161 4.366 4.527 0.000 0.000 0.300 252 F C 1.840 177.665 175.800 0.041 0.000 1.090 252 F CA 1.252 59.237 58.000 -0.024 0.000 1.293 252 F CB 0.031 39.014 39.000 -0.029 0.000 1.013 252 F HN -0.046 nan 8.300 nan 0.000 0.486 253 I N 0.035 120.721 120.570 0.193 0.000 2.353 253 I HA -0.221 3.949 4.170 0.000 0.000 0.248 253 I C 2.167 178.276 176.117 -0.013 0.000 1.119 253 I CA 1.353 62.768 61.300 0.193 0.000 1.417 253 I CB -0.433 37.728 38.000 0.268 0.000 1.078 253 I HN 0.172 nan 8.210 nan 0.000 0.421 254 E N 0.239 120.410 120.200 -0.049 0.000 2.076 254 E HA -0.184 4.166 4.350 0.000 0.000 0.190 254 E C 2.064 178.586 176.600 -0.129 0.000 0.979 254 E CA 0.908 57.252 56.400 -0.092 0.000 0.807 254 E CB 0.022 29.681 29.700 -0.069 0.000 0.761 254 E HN 0.568 nan 8.360 nan 0.000 0.454 255 Q N -0.312 119.396 119.800 -0.152 0.000 2.376 255 Q HA 0.021 4.361 4.340 0.000 0.000 0.206 255 Q C 1.704 177.549 176.000 -0.257 0.000 0.921 255 Q CA 0.493 56.193 55.803 -0.171 0.000 0.911 255 Q CB 1.008 29.668 28.738 -0.130 0.000 1.032 255 Q HN 0.078 nan 8.270 nan 0.000 0.510 256 V N -1.412 118.235 119.914 -0.445 0.000 3.134 256 V HA -0.082 4.038 4.120 0.000 0.000 0.222 256 V C 1.449 177.377 176.094 -0.276 0.000 1.247 256 V CA 0.346 62.290 62.300 -0.594 0.000 1.281 256 V CB -0.808 30.184 31.823 -1.386 0.000 1.169 256 V HN 0.188 nan 8.190 nan 0.000 0.512 257 Y N 1.906 121.961 120.300 -0.409 0.000 2.081 257 Y HA -0.236 4.314 4.550 0.000 0.000 0.280 257 Y C 2.344 178.072 175.900 -0.288 0.000 1.163 257 Y CA 1.741 59.766 58.100 -0.125 0.000 1.135 257 Y CB -0.512 37.955 38.460 0.012 0.000 0.970 257 Y HN 0.124 nan 8.280 nan 0.000 0.498 258 I N 0.390 120.732 120.570 -0.380 0.000 2.226 258 I HA -0.278 3.892 4.170 0.000 0.000 0.245 258 I C 2.562 178.483 176.117 -0.327 0.000 1.100 258 I CA 2.110 63.105 61.300 -0.507 0.000 1.374 258 I CB -2.006 35.763 38.000 -0.386 0.000 1.057 258 I HN 0.428 nan 8.210 nan 0.000 0.413 259 T N -1.228 113.209 114.554 -0.195 0.000 2.746 259 T HA -0.177 4.173 4.350 0.000 0.000 0.267 259 T C 1.555 176.229 174.700 -0.043 0.000 1.039 259 T CA 1.544 63.580 62.100 -0.106 0.000 1.142 259 T CB -0.367 68.461 68.868 -0.068 0.000 0.866 259 T HN 0.153 nan 8.240 nan 0.000 0.444 260 D N 1.075 121.493 120.400 0.031 0.000 2.144 260 D HA 0.040 4.680 4.640 0.000 0.000 0.200 260 D C 2.017 178.346 176.300 0.048 0.000 0.978 260 D CA 0.678 54.782 54.000 0.174 0.000 0.833 260 D CB -0.502 40.574 40.800 0.461 0.000 0.961 260 D HN 0.361 nan 8.370 nan 0.000 0.470 261 L N 0.492 121.569 121.223 -0.243 0.000 1.994 261 L HA -0.124 4.216 4.340 0.000 0.000 0.208 261 L C 1.992 178.722 176.870 -0.232 0.000 1.071 261 L CA 1.595 56.174 54.840 -0.435 0.000 0.745 261 L CB -0.610 40.950 42.059 -0.832 0.000 0.892 261 L HN 0.004 nan 8.230 nan 0.000 0.431 262 L N -0.420 120.674 121.223 -0.214 0.000 2.141 262 L HA -0.126 4.214 4.340 0.000 0.000 0.209 262 L C 2.716 179.523 176.870 -0.105 0.000 1.094 262 L CA 1.006 55.745 54.840 -0.167 0.000 0.763 262 L CB -1.091 40.866 42.059 -0.170 0.000 0.908 262 L HN 0.411 nan 8.230 nan 0.000 0.437 263 A N -0.038 122.759 122.820 -0.039 0.000 1.858 263 A HA -0.138 4.182 4.320 0.000 0.000 0.216 263 A C 2.360 180.041 177.584 0.160 0.000 1.190 263 A CA 1.835 53.896 52.037 0.040 0.000 0.617 263 A CB -0.853 18.218 19.000 0.118 0.000 0.827 263 A HN 0.154 nan 8.150 nan 0.000 0.443 264 V N -0.076 119.960 119.914 0.204 0.000 2.307 264 V HA -0.226 3.894 4.120 0.000 0.000 0.245 264 V C 3.065 179.300 176.094 0.235 0.000 1.045 264 V CA 1.892 64.385 62.300 0.321 0.000 1.024 264 V CB -1.258 30.686 31.823 0.202 0.000 0.651 264 V HN 0.616 nan 8.190 nan 0.000 0.449 265 A N 0.624 123.442 122.820 -0.003 0.000 1.940 265 A HA -0.139 4.181 4.320 0.000 0.000 0.219 265 A C 2.398 179.973 177.584 -0.015 0.000 1.176 265 A CA 1.922 53.916 52.037 -0.071 0.000 0.631 265 A CB -1.210 17.692 19.000 -0.163 0.000 0.814 265 A HN 0.557 nan 8.150 nan 0.000 0.446 266 G N -1.603 107.129 108.800 -0.114 0.000 2.462 266 G HA2 -0.138 3.822 3.960 0.000 0.000 0.220 266 G HA3 -0.138 3.822 3.960 0.000 0.000 0.220 266 G C 0.989 175.646 174.900 -0.405 0.000 1.121 266 G CA 0.947 45.873 45.100 -0.290 0.000 0.758 266 G HN 0.485 nan 8.290 nan 0.000 0.559 267 F N -1.260 118.681 119.950 -0.015 0.000 2.693 267 F HA 0.401 4.928 4.527 0.000 0.000 0.303 267 F C 0.237 175.903 175.800 -0.224 0.000 1.097 267 F CA -0.340 57.574 58.000 -0.143 0.000 1.330 267 F CB 0.416 39.244 39.000 -0.287 0.000 1.067 267 F HN 0.064 nan 8.300 nan 0.000 0.565 268 Y N -0.890 119.538 120.300 0.213 0.000 2.685 268 Y HA 0.235 4.785 4.550 -0.000 0.000 0.257 268 Y C 1.289 177.356 175.900 0.279 0.000 1.053 268 Y CA -1.080 57.210 58.100 0.316 0.000 1.106 268 Y CB -0.203 38.419 38.460 0.269 0.000 1.193 268 Y HN -0.129 nan 8.280 nan 0.000 0.602 269 K N 0.358 120.908 120.400 0.251 0.000 2.360 269 K HA -0.205 4.115 4.320 0.000 0.000 0.201 269 K C 1.387 178.090 176.600 0.173 0.000 1.046 269 K CA 1.708 58.088 56.287 0.155 0.000 0.940 269 K CB -0.077 32.456 32.500 0.056 0.000 0.748 269 K HN 0.649 nan 8.250 nan 0.000 0.465 270 N N -0.993 117.835 118.700 0.213 0.000 2.512 270 N HA -0.154 4.586 4.740 0.000 0.000 0.183 270 N C 1.062 176.582 175.510 0.017 0.000 1.073 270 N CA 0.435 53.533 53.050 0.079 0.000 0.911 270 N CB -0.179 38.327 38.487 0.033 0.000 0.964 270 N HN 0.168 nan 8.380 nan 0.000 0.447 271 W N 0.054 121.459 121.300 0.176 0.000 3.180 271 W HA 0.403 5.063 4.660 0.000 0.000 0.254 271 W C 1.751 178.338 176.519 0.114 0.000 1.318 271 W CA 0.089 57.542 57.345 0.181 0.000 1.608 271 W CB 0.102 29.720 29.460 0.264 0.000 1.124 271 W HN 0.204 nan 8.180 nan 0.000 0.694 272 A N -0.325 122.628 122.820 0.221 0.000 2.238 272 A HA 0.299 4.619 4.320 0.000 0.000 0.208 272 A C 1.845 179.490 177.584 0.102 0.000 1.177 272 A CA 1.139 53.256 52.037 0.133 0.000 0.804 272 A CB -0.530 18.518 19.000 0.080 0.000 0.823 272 A HN 0.203 nan 8.150 nan 0.000 0.482 273 G N -0.736 108.109 108.800 0.075 0.000 3.695 273 G HA2 0.473 4.433 3.960 0.000 0.000 0.277 273 G HA3 0.473 4.433 3.960 0.000 0.000 0.277 273 G C -0.071 174.834 174.900 0.008 0.000 1.001 273 G CA -0.084 45.039 45.100 0.038 0.000 0.837 273 G HN 0.285 nan 8.290 nan 0.000 0.492 274 I N 0.152 120.741 120.570 0.032 0.000 2.509 274 I HA 0.548 4.718 4.170 0.000 0.000 0.293 274 I C 0.955 177.178 176.117 0.177 0.000 1.020 274 I CA -0.504 60.795 61.300 -0.002 0.000 1.088 274 I CB 2.170 39.965 38.000 -0.342 0.000 1.267 274 I HN 0.142 nan 8.210 nan 0.000 0.430 275 G N 3.880 112.776 108.800 0.160 0.000 2.212 275 G HA2 -0.268 3.692 3.960 0.000 0.000 0.255 275 G HA3 -0.268 3.692 3.960 0.000 0.000 0.255 275 G C -0.018 175.012 174.900 0.216 0.000 1.062 275 G CA -0.114 45.117 45.100 0.218 0.000 0.815 275 G HN 0.675 nan 8.290 nan 0.000 0.497 276 K N 0.612 121.118 120.400 0.176 0.000 2.270 276 K HA 0.596 4.916 4.320 0.000 0.000 0.276 276 K C 0.748 177.448 176.600 0.166 0.000 1.023 276 K CA 0.422 56.827 56.287 0.196 0.000 0.955 276 K CB 0.443 33.045 32.500 0.169 0.000 0.975 276 K HN 0.420 nan 8.250 nan 0.000 0.471 277 T N -0.627 114.056 114.554 0.214 0.000 2.906 277 T HA 0.526 4.876 4.350 0.000 0.000 0.295 277 T C -0.742 174.008 174.700 0.083 0.000 1.075 277 T CA -0.984 61.181 62.100 0.107 0.000 1.005 277 T CB 1.720 70.669 68.868 0.135 0.000 1.136 277 T HN 0.388 nan 8.240 nan 0.000 0.498 278 S N 1.281 116.840 115.700 -0.235 0.000 2.566 278 S HA 0.783 5.253 4.470 0.000 0.000 0.298 278 S C -1.137 172.960 174.600 -0.838 0.000 1.083 278 S CA -0.909 57.083 58.200 -0.347 0.000 0.978 278 S CB 0.870 63.951 63.200 -0.198 0.000 1.073 278 S HN 0.933 nan 8.310 nan 0.000 0.491 279 N N 0.449 118.685 118.700 -0.774 0.000 2.883 279 N HA -0.133 4.607 4.740 0.000 0.000 0.277 279 N C -1.849 172.959 175.510 -1.170 0.000 1.707 279 N CA 0.618 52.987 53.050 -1.134 0.000 1.494 279 N CB -1.157 36.312 38.487 -1.696 0.000 0.821 279 N HN 0.514 nan 8.380 nan 0.000 0.482 280 F N 1.312 121.214 119.950 -0.080 0.000 2.565 280 F HA 0.779 5.306 4.527 0.000 0.000 0.313 280 F C 0.219 176.050 175.800 0.051 0.000 1.091 280 F CA -1.079 56.959 58.000 0.065 0.000 0.915 280 F CB 1.549 40.566 39.000 0.028 0.000 1.208 280 F HN 0.323 nan 8.300 nan 0.000 0.453 281 L N 0.039 121.259 121.223 -0.006 0.000 2.465 281 L HA 0.989 5.329 4.340 0.000 0.000 0.257 281 L C -0.818 175.795 176.870 -0.429 0.000 0.988 281 L CA -0.546 54.068 54.840 -0.376 0.000 0.827 281 L CB 1.828 43.368 42.059 -0.865 0.000 1.397 281 L HN 0.608 nan 8.230 nan 0.000 0.410 282 T N -0.468 113.767 114.554 -0.532 0.000 2.889 282 T HA 0.465 4.815 4.350 0.000 0.000 0.315 282 T C 0.393 174.624 174.700 -0.783 0.000 1.291 282 T CA 0.099 61.877 62.100 -0.536 0.000 1.028 282 T CB 1.054 69.747 68.868 -0.291 0.000 1.235 282 T HN 1.227 nan 8.240 nan 0.000 0.491 283 C N 1.401 120.247 119.300 -0.757 0.000 2.926 283 C HA 0.759 5.219 4.460 0.000 0.000 0.272 283 C C 1.514 176.309 174.990 -0.324 0.000 1.249 283 C CA 0.033 58.616 59.018 -0.725 0.000 1.691 283 C CB -1.541 25.774 27.740 -0.708 0.000 1.983 283 C HN 1.585 nan 8.230 nan 0.000 0.615 284 G N 0.817 109.465 108.800 -0.253 0.000 2.829 284 G HA2 0.193 4.153 3.960 0.000 0.000 0.628 284 G HA3 0.193 4.153 3.960 0.000 0.000 0.628 284 G C -1.007 173.812 174.900 -0.136 0.000 1.412 284 G CA 0.210 45.223 45.100 -0.144 0.000 0.864 284 G HN 0.758 nan 8.290 nan 0.000 0.544 285 E N -1.380 118.761 120.200 -0.099 0.000 2.446 285 E HA 0.755 5.105 4.350 0.000 0.000 0.276 285 E C -0.191 176.310 176.600 -0.166 0.000 0.969 285 E CA -0.790 55.407 56.400 -0.338 0.000 0.800 285 E CB 0.668 29.918 29.700 -0.750 0.000 1.341 285 E HN 1.489 nan 8.360 nan 0.000 0.460 286 F N -0.773 119.157 119.950 -0.034 0.000 2.616 286 F HA -0.134 4.394 4.527 0.000 0.000 0.399 286 F C -2.137 173.646 175.800 -0.029 0.000 1.110 286 F CA 0.316 58.256 58.000 -0.100 0.000 1.278 286 F CB -1.687 37.366 39.000 0.087 0.000 1.799 286 F HN 0.205 nan 8.300 nan 0.000 0.784 287 P HA 0.261 nan 4.420 nan 0.000 0.276 287 P C 0.725 178.042 177.300 0.029 0.000 1.252 287 P CA 0.323 63.445 63.100 0.037 0.000 0.802 287 P CB 1.439 33.125 31.700 -0.024 0.000 1.035 288 T N -3.634 110.956 114.554 0.059 0.000 3.038 288 T HA 0.097 4.447 4.350 0.000 0.000 0.244 288 T C 0.304 175.027 174.700 0.037 0.000 1.016 288 T CA 0.413 62.542 62.100 0.050 0.000 1.098 288 T CB -0.316 68.599 68.868 0.078 0.000 0.954 288 T HN 0.338 nan 8.240 nan 0.000 0.469 289 D N 1.361 121.792 120.400 0.050 0.000 2.414 289 D HA 0.236 4.876 4.640 0.000 0.000 0.232 289 D C 0.825 177.158 176.300 0.056 0.000 1.070 289 D CA -0.507 53.534 54.000 0.069 0.000 0.839 289 D CB 1.329 42.179 40.800 0.083 0.000 1.079 289 D HN 0.032 nan 8.370 nan 0.000 0.521 290 E N 2.694 122.925 120.200 0.052 0.000 2.472 290 E HA -0.156 4.194 4.350 0.000 0.000 0.200 290 E C 0.172 176.666 176.600 -0.177 0.000 1.046 290 E CA 0.700 57.059 56.400 -0.068 0.000 0.871 290 E CB 0.195 29.840 29.700 -0.093 0.000 0.806 290 E HN 0.639 nan 8.360 nan 0.000 0.533 291 Y N -0.192 120.101 120.300 -0.013 0.000 2.612 291 Y HA 0.202 4.752 4.550 0.000 0.000 0.250 291 Y C -0.054 175.859 175.900 0.020 0.000 1.175 291 Y CA -0.515 57.586 58.100 0.001 0.000 1.205 291 Y CB 0.898 39.355 38.460 -0.006 0.000 1.201 291 Y HN -0.178 nan 8.280 nan 0.000 0.532 292 D N -0.052 120.410 120.400 0.104 0.000 2.575 292 D HA 0.257 4.897 4.640 0.000 0.000 0.250 292 D C 0.523 176.855 176.300 0.053 0.000 1.279 292 D CA -0.151 53.899 54.000 0.083 0.000 0.925 292 D CB 1.103 41.954 40.800 0.085 0.000 1.261 292 D HN 0.059 nan 8.370 nan 0.000 0.567 293 L N 2.532 123.783 121.223 0.047 0.000 2.191 293 L HA -0.068 4.272 4.340 0.000 0.000 0.212 293 L C 1.223 178.109 176.870 0.027 0.000 1.103 293 L CA 0.685 55.541 54.840 0.026 0.000 0.769 293 L CB -0.097 41.976 42.059 0.023 0.000 0.908 293 L HN 0.401 nan 8.230 nan 0.000 0.438 294 N N -0.484 118.241 118.700 0.041 0.000 2.449 294 N HA -0.048 4.692 4.740 0.000 0.000 0.191 294 N C 1.514 177.059 175.510 0.058 0.000 1.161 294 N CA 0.740 53.817 53.050 0.044 0.000 0.863 294 N CB 0.250 38.764 38.487 0.044 0.000 0.980 294 N HN 0.296 nan 8.380 nan 0.000 0.458 295 S N -0.890 114.848 115.700 0.064 0.000 2.577 295 S HA 0.230 4.700 4.470 0.000 0.000 0.219 295 S C 0.709 175.376 174.600 0.111 0.000 0.962 295 S CA -0.461 57.788 58.200 0.082 0.000 0.921 295 S CB 0.480 63.725 63.200 0.075 0.000 0.789 295 S HN 0.046 nan 8.310 nan 0.000 0.497 296 R N 0.651 121.212 120.500 0.100 0.000 2.438 296 R HA 0.237 4.577 4.340 0.000 0.000 0.287 296 R C 0.842 177.277 176.300 0.225 0.000 1.077 296 R CA -0.363 55.824 56.100 0.146 0.000 1.034 296 R CB 0.256 30.593 30.300 0.063 0.000 0.993 296 R HN 0.334 nan 8.270 nan 0.000 0.459 297 Y N 2.790 123.233 120.300 0.239 0.000 2.053 297 Y HA -0.228 4.322 4.550 0.000 0.000 0.277 297 Y C 0.974 176.963 175.900 0.148 0.000 1.159 297 Y CA 1.821 60.087 58.100 0.276 0.000 1.125 297 Y CB -0.092 38.606 38.460 0.397 0.000 0.969 297 Y HN 0.557 nan 8.280 nan 0.000 0.492 298 T N 1.370 115.914 114.554 -0.018 0.000 2.806 298 T HA 0.421 4.771 4.350 0.000 0.000 0.290 298 T C -2.580 172.013 174.700 -0.180 0.000 0.966 298 T CA -2.149 59.726 62.100 -0.375 0.000 1.060 298 T CB 1.588 70.373 68.868 -0.139 0.000 0.927 298 T HN 0.139 nan 8.240 nan 0.000 0.485 299 P HA 0.215 nan 4.420 nan 0.000 0.276 299 P C -0.808 176.420 177.300 -0.121 0.000 1.252 299 P CA -0.524 62.505 63.100 -0.119 0.000 0.802 299 P CB 0.724 32.365 31.700 -0.098 0.000 1.035 300 Q N 0.414 120.156 119.800 -0.097 0.000 2.214 300 Q HA 0.758 5.098 4.340 0.000 0.000 0.251 300 Q C -0.214 175.740 176.000 -0.076 0.000 0.936 300 Q CA -0.903 54.822 55.803 -0.130 0.000 0.894 300 Q CB 1.010 29.688 28.738 -0.101 0.000 1.252 300 Q HN 0.806 nan 8.270 nan 0.000 0.448 301 G N -0.643 108.098 108.800 -0.099 0.000 2.316 301 G HA2 0.464 4.424 3.960 0.000 0.000 0.296 301 G HA3 0.464 4.424 3.960 0.000 0.000 0.296 301 G C -1.907 172.942 174.900 -0.084 0.000 1.399 301 G CA -0.305 44.779 45.100 -0.027 0.000 0.833 301 G HN 0.738 nan 8.290 nan 0.000 0.565 302 V N 1.070 120.963 119.914 -0.034 0.000 2.524 302 V HA 0.481 4.601 4.120 0.000 0.000 0.297 302 V C -0.121 175.971 176.094 -0.003 0.000 1.035 302 V CA -0.550 61.678 62.300 -0.120 0.000 0.867 302 V CB 1.471 33.184 31.823 -0.184 0.000 1.004 302 V HN 0.666 nan 8.190 nan 0.000 0.426 303 I N 3.884 124.489 120.570 0.058 0.000 2.353 303 I HA 0.379 4.549 4.170 0.000 0.000 0.293 303 I C -0.731 175.448 176.117 0.103 0.000 0.992 303 I CA -0.258 61.151 61.300 0.182 0.000 1.268 303 I CB 1.456 39.639 38.000 0.304 0.000 1.387 303 I HN 0.569 nan 8.210 nan 0.000 0.478 304 W N 4.665 126.089 121.300 0.207 0.000 2.496 304 W HA 0.559 5.219 4.660 -0.000 0.000 0.327 304 W C 1.053 177.599 176.519 0.045 0.000 1.086 304 W CA 0.598 58.014 57.345 0.118 0.000 1.222 304 W CB 1.357 30.903 29.460 0.143 0.000 1.304 304 W HN 0.828 nan 8.180 nan 0.000 0.547 305 G N 2.755 111.668 108.800 0.187 0.000 2.622 305 G HA2 -0.406 3.554 3.960 0.000 0.000 0.307 305 G HA3 -0.406 3.554 3.960 0.000 0.000 0.307 305 G C 0.231 175.172 174.900 0.067 0.000 1.226 305 G CA 1.060 46.197 45.100 0.060 0.000 0.997 305 G HN 0.647 nan 8.290 nan 0.000 0.551 306 N N 0.816 119.501 118.700 -0.024 0.000 2.433 306 N HA 0.340 5.080 4.740 0.000 0.000 0.270 306 N C -1.163 174.274 175.510 -0.122 0.000 1.354 306 N CA 0.014 52.917 53.050 -0.245 0.000 0.889 306 N CB 0.932 38.950 38.487 -0.781 0.000 1.285 306 N HN 0.435 nan 8.380 nan 0.000 0.503 307 D N 1.094 121.536 120.400 0.070 0.000 2.456 307 D HA 0.160 4.800 4.640 0.000 0.000 0.219 307 D C 0.696 177.092 176.300 0.160 0.000 1.126 307 D CA -0.212 53.852 54.000 0.105 0.000 0.890 307 D CB 0.642 41.512 40.800 0.116 0.000 1.025 307 D HN 0.199 nan 8.370 nan 0.000 0.511 308 L N 2.348 123.671 121.223 0.167 0.000 2.599 308 L HA -0.005 4.335 4.340 0.000 0.000 0.230 308 L C 2.013 178.940 176.870 0.095 0.000 1.141 308 L CA 0.224 55.161 54.840 0.162 0.000 0.877 308 L CB -0.203 41.978 42.059 0.203 0.000 1.009 308 L HN 0.320 nan 8.230 nan 0.000 0.447 309 S N -1.048 114.704 115.700 0.086 0.000 2.478 309 S HA -0.036 4.434 4.470 0.000 0.000 0.222 309 S C 0.879 175.519 174.600 0.066 0.000 1.008 309 S CA 0.003 58.237 58.200 0.056 0.000 0.928 309 S CB 0.167 63.396 63.200 0.048 0.000 0.781 309 S HN 0.286 nan 8.310 nan 0.000 0.518 310 K N 1.431 121.891 120.400 0.099 0.000 2.559 310 K HA 0.531 4.851 4.320 0.000 0.000 0.249 310 K C -1.857 174.838 176.600 0.158 0.000 0.958 310 K CA -0.508 55.849 56.287 0.118 0.000 0.901 310 K CB 1.847 34.422 32.500 0.125 0.000 1.124 310 K HN 0.077 nan 8.250 nan 0.000 0.437 311 V N 4.124 124.114 119.914 0.126 0.000 2.328 311 V HA 0.183 4.303 4.120 0.000 0.000 0.278 311 V C -0.204 175.976 176.094 0.142 0.000 1.021 311 V CA -0.812 61.565 62.300 0.127 0.000 0.838 311 V CB 1.169 33.038 31.823 0.077 0.000 0.999 311 V HN 0.763 nan 8.190 nan 0.000 0.447 312 D N 2.366 122.885 120.400 0.197 0.000 2.411 312 D HA 0.288 4.928 4.640 0.000 0.000 0.251 312 D C -0.243 176.149 176.300 0.153 0.000 1.201 312 D CA -0.281 53.845 54.000 0.210 0.000 0.996 312 D CB 0.633 41.643 40.800 0.349 0.000 1.101 312 D HN 0.436 nan 8.370 nan 0.000 0.504 313 D N -0.205 120.288 120.400 0.155 0.000 2.256 313 D HA 0.137 4.777 4.640 0.000 0.000 0.250 313 D C -0.518 175.879 176.300 0.160 0.000 1.093 313 D CA -0.386 53.690 54.000 0.127 0.000 0.882 313 D CB 0.385 41.240 40.800 0.092 0.000 1.185 313 D HN 0.113 nan 8.370 nan 0.000 0.437 314 F N 3.357 123.290 119.950 -0.028 0.000 2.472 314 F HA 0.219 4.746 4.527 0.000 0.000 0.364 314 F C -0.077 175.735 175.800 0.020 0.000 1.090 314 F CA -0.538 57.415 58.000 -0.079 0.000 1.188 314 F CB 0.196 39.057 39.000 -0.233 0.000 1.105 314 F HN 0.046 nan 8.300 nan 0.000 0.536 315 N N 8.696 127.159 118.700 -0.396 0.000 2.569 315 N HA 0.379 5.119 4.740 0.000 0.000 0.254 315 N C -2.216 173.083 175.510 -0.351 0.000 1.004 315 N CA -2.609 50.239 53.050 -0.337 0.000 0.904 315 N CB 1.602 40.055 38.487 -0.057 0.000 1.165 315 N HN 0.273 nan 8.380 nan 0.000 0.513 316 P HA -0.003 nan 4.420 nan 0.000 0.230 316 P C 0.057 177.566 177.300 0.349 0.000 1.158 316 P CA 0.746 63.858 63.100 0.020 0.000 0.769 316 P CB 0.553 32.405 31.700 0.253 0.000 0.807 317 D N -0.288 120.205 120.400 0.155 0.000 2.312 317 D HA -0.001 4.639 4.640 0.000 0.000 0.211 317 D C 1.738 178.101 176.300 0.105 0.000 0.964 317 D CA 0.607 54.688 54.000 0.136 0.000 0.877 317 D CB -0.211 40.599 40.800 0.016 0.000 0.924 317 D HN 0.274 nan 8.370 nan 0.000 0.515 318 L N 0.544 121.759 121.223 -0.012 0.000 2.599 318 L HA 0.160 4.500 4.340 0.000 0.000 0.230 318 L C 0.687 177.525 176.870 -0.053 0.000 1.141 318 L CA 0.101 54.825 54.840 -0.195 0.000 0.877 318 L CB 0.015 41.616 42.059 -0.763 0.000 1.009 318 L HN -0.138 nan 8.230 nan 0.000 0.447 319 I N 0.244 120.921 120.570 0.178 0.000 2.365 319 I HA 0.161 4.331 4.170 0.000 0.000 0.291 319 I C 0.197 176.329 176.117 0.025 0.000 1.004 319 I CA 0.089 61.520 61.300 0.219 0.000 1.311 319 I CB 1.091 39.248 38.000 0.261 0.000 1.401 319 I HN 0.028 nan 8.210 nan 0.000 0.491 320 E N 5.921 126.120 120.200 -0.002 0.000 2.292 320 E HA 0.353 4.703 4.350 0.000 0.000 0.272 320 E C -1.295 175.223 176.600 -0.136 0.000 0.881 320 E CA -0.690 55.651 56.400 -0.098 0.000 0.754 320 E CB 2.553 32.205 29.700 -0.080 0.000 1.201 320 E HN 0.519 nan 8.360 nan 0.000 0.425 321 E N 2.144 122.218 120.200 -0.210 0.000 2.133 321 E HA 0.271 4.621 4.350 0.000 0.000 0.274 321 E C -0.459 176.016 176.600 -0.210 0.000 0.930 321 E CA -0.434 55.852 56.400 -0.189 0.000 0.770 321 E CB 1.374 30.950 29.700 -0.206 0.000 1.104 321 E HN 0.326 nan 8.360 nan 0.000 0.403 322 H N 0.979 119.963 119.070 -0.144 0.000 2.488 322 H HA 0.211 4.767 4.556 0.000 0.000 0.347 322 H C 0.674 175.941 175.328 -0.102 0.000 1.174 322 H CA -0.294 55.684 56.048 -0.115 0.000 1.307 322 H CB 1.965 31.683 29.762 -0.072 0.000 1.517 322 H HN 0.378 nan 8.280 nan 0.000 0.554 323 V N -0.677 119.242 119.914 0.009 0.000 3.329 323 V HA 0.140 4.260 4.120 0.000 0.000 0.317 323 V C 1.531 177.596 176.094 -0.050 0.000 1.495 323 V CA -0.313 61.996 62.300 0.016 0.000 1.105 323 V CB 0.261 32.112 31.823 0.046 0.000 0.985 323 V HN 0.613 nan 8.190 nan 0.000 0.475 324 K N 0.493 120.844 120.400 -0.082 0.000 2.103 324 K HA -0.086 4.234 4.320 0.000 0.000 0.207 324 K C 0.727 176.985 176.600 -0.571 0.000 1.048 324 K CA 2.087 58.191 56.287 -0.306 0.000 0.930 324 K CB -0.097 32.178 32.500 -0.375 0.000 0.716 324 K HN 0.679 nan 8.250 nan 0.000 0.444 325 Y N -0.052 120.157 120.300 -0.152 0.000 2.720 325 Y HA 0.266 4.816 4.550 -0.000 0.000 0.277 325 Y C -0.198 175.358 175.900 -0.574 0.000 1.144 325 Y CA -0.571 57.349 58.100 -0.299 0.000 1.221 325 Y CB 0.938 39.212 38.460 -0.311 0.000 1.163 325 Y HN -0.146 nan 8.280 nan 0.000 0.537 326 S N -1.349 114.137 115.700 -0.356 0.000 2.677 326 S HA 0.308 4.778 4.470 0.000 0.000 0.304 326 S C -0.850 173.476 174.600 -0.457 0.000 1.108 326 S CA -0.798 57.132 58.200 -0.450 0.000 0.944 326 S CB 1.198 64.415 63.200 0.028 0.000 1.127 326 S HN 0.273 nan 8.310 nan 0.000 0.511 327 W N 2.618 123.615 121.300 -0.504 0.000 1.496 327 W HA 0.383 5.043 4.660 -0.000 0.000 0.422 327 W C -1.123 174.937 176.519 -0.764 0.000 0.638 327 W CA -0.519 56.388 57.345 -0.731 0.000 2.105 327 W CB -1.308 27.335 29.460 -1.362 0.000 1.639 327 W HN 0.509 nan 8.180 nan 0.000 0.304 328 Y N -0.739 119.599 120.300 0.063 0.000 2.581 328 Y HA 0.223 4.773 4.550 0.000 0.000 0.345 328 Y C 0.585 176.508 175.900 0.037 0.000 1.036 328 Y CA -1.582 56.563 58.100 0.076 0.000 1.042 328 Y CB 1.165 39.667 38.460 0.070 0.000 1.289 328 Y HN -0.046 nan 8.280 nan 0.000 0.471 329 E N 1.210 121.537 120.200 0.212 0.000 2.452 329 E HA 0.315 4.665 4.350 0.000 0.000 0.261 329 E C 0.670 177.320 176.600 0.083 0.000 0.987 329 E CA 1.102 57.572 56.400 0.115 0.000 0.926 329 E CB 0.344 30.107 29.700 0.105 0.000 0.934 329 E HN 0.884 nan 8.360 nan 0.000 0.452 330 G N 2.536 111.357 108.800 0.034 0.000 2.575 330 G HA2 -0.241 3.719 3.960 0.000 0.000 0.267 330 G HA3 -0.241 3.719 3.960 0.000 0.000 0.267 330 G C 0.269 175.147 174.900 -0.036 0.000 1.264 330 G CA -0.037 45.062 45.100 -0.002 0.000 0.935 330 G HN 0.824 nan 8.290 nan 0.000 0.568 331 A N -0.276 122.510 122.820 -0.057 0.000 2.605 331 A HA 0.736 5.056 4.320 0.000 0.000 0.292 331 A C 0.979 178.496 177.584 -0.112 0.000 1.055 331 A CA 1.290 53.276 52.037 -0.086 0.000 0.969 331 A CB 0.001 18.942 19.000 -0.098 0.000 1.236 331 A HN 2.226 nan 8.150 nan 0.000 0.534 332 G N 0.159 108.868 108.800 -0.153 0.000 2.432 332 G HA2 0.537 4.497 3.960 0.000 0.000 0.257 332 G HA3 0.537 4.497 3.960 0.000 0.000 0.257 332 G C 0.056 174.669 174.900 -0.478 0.000 1.238 332 G CA 0.447 45.360 45.100 -0.311 0.000 0.838 332 G HN 0.895 nan 8.290 nan 0.000 0.547 333 A N 2.550 124.995 122.820 -0.625 0.000 2.317 333 A HA 0.732 5.052 4.320 0.000 0.000 0.327 333 A C -0.507 176.662 177.584 -0.692 0.000 1.178 333 A CA -0.669 50.929 52.037 -0.732 0.000 0.817 333 A CB 0.876 19.195 19.000 -1.135 0.000 1.189 333 A HN 0.766 nan 8.150 nan 0.000 0.489 334 H N 1.035 119.965 119.070 -0.233 0.000 2.717 334 H HA 0.273 4.829 4.556 0.000 0.000 0.366 334 H C -0.603 174.621 175.328 -0.173 0.000 1.132 334 H CA -0.434 55.518 56.048 -0.159 0.000 1.180 334 H CB 1.416 31.090 29.762 -0.145 0.000 1.678 334 H HN 0.886 nan 8.280 nan 0.000 0.537 335 H N 3.802 122.839 119.070 -0.054 0.000 2.771 335 H HA 0.005 4.561 4.556 0.000 0.000 0.364 335 H C -1.705 173.419 175.328 -0.339 0.000 1.133 335 H CA -1.302 54.626 56.048 -0.201 0.000 1.423 335 H CB 1.412 31.089 29.762 -0.141 0.000 1.425 335 H HN 0.304 nan 8.280 nan 0.000 0.606 336 P HA -0.168 nan 4.420 nan 0.000 0.219 336 P C 0.833 177.753 177.300 -0.634 0.000 1.146 336 P CA 1.246 63.672 63.100 -1.122 0.000 0.808 336 P CB -0.113 30.383 31.700 -2.007 0.000 0.779 337 Y N 0.114 120.248 120.300 -0.277 0.000 2.421 337 Y HA -0.043 4.507 4.550 0.000 0.000 0.292 337 Y C 1.648 177.521 175.900 -0.046 0.000 1.136 337 Y CA 0.901 59.004 58.100 0.005 0.000 1.255 337 Y CB -0.535 38.030 38.460 0.175 0.000 0.991 337 Y HN -0.023 nan 8.280 nan 0.000 0.552 338 K N -0.211 120.226 120.400 0.061 0.000 2.537 338 K HA 0.254 4.574 4.320 0.000 0.000 0.206 338 K C 0.747 177.184 176.600 -0.271 0.000 1.041 338 K CA -0.073 56.168 56.287 -0.075 0.000 1.090 338 K CB 0.456 32.939 32.500 -0.027 0.000 0.833 338 K HN 0.110 nan 8.250 nan 0.000 0.493 339 G N 1.336 110.018 108.800 -0.198 0.000 2.544 339 G HA2 0.294 4.254 3.960 0.000 0.000 0.242 339 G HA3 0.294 4.254 3.960 0.000 0.000 0.242 339 G C -0.001 174.777 174.900 -0.203 0.000 1.247 339 G CA -0.254 44.730 45.100 -0.194 0.000 0.840 339 G HN 0.060 nan 8.290 nan 0.000 0.578 340 V N -1.550 118.278 119.914 -0.144 0.000 2.925 340 V HA 0.844 4.964 4.120 0.000 0.000 0.311 340 V C -0.301 175.770 176.094 -0.040 0.000 1.104 340 V CA -0.871 61.381 62.300 -0.081 0.000 0.954 340 V CB 2.051 33.820 31.823 -0.089 0.000 1.022 340 V HN 0.654 nan 8.190 nan 0.000 0.427 341 T N 4.451 119.020 114.554 0.026 0.000 3.226 341 T HA 0.458 4.808 4.350 0.000 0.000 0.378 341 T C -0.559 174.273 174.700 0.220 0.000 1.380 341 T CA -0.549 61.611 62.100 0.099 0.000 1.396 341 T CB 0.119 69.087 68.868 0.166 0.000 1.044 341 T HN 0.769 nan 8.240 nan 0.000 0.586 342 K N 3.312 123.875 120.400 0.272 0.000 2.530 342 K HA 0.319 4.639 4.320 0.000 0.000 0.230 342 K C -3.015 173.790 176.600 0.341 0.000 1.002 342 K CA -2.127 54.308 56.287 0.247 0.000 1.014 342 K CB 1.789 34.387 32.500 0.163 0.000 1.286 342 K HN 0.246 nan 8.250 nan 0.000 0.480 343 P HA 0.024 nan 4.420 nan 0.000 0.267 343 P C -0.593 176.754 177.300 0.078 0.000 1.205 343 P CA -0.002 63.103 63.100 0.009 0.000 0.765 343 P CB 0.705 32.169 31.700 -0.393 0.000 0.828 344 K N 4.391 124.829 120.400 0.063 0.000 2.723 344 K HA 0.123 4.443 4.320 0.000 0.000 0.229 344 K C -0.696 175.958 176.600 0.090 0.000 1.022 344 K CA -0.566 55.778 56.287 0.095 0.000 1.045 344 K CB 0.817 33.364 32.500 0.078 0.000 1.227 344 K HN 0.556 nan 8.250 nan 0.000 0.516 345 W N 4.688 125.907 121.300 -0.136 0.000 2.210 345 W HA 0.003 4.663 4.660 0.000 0.000 0.330 345 W C 0.037 176.391 176.519 -0.274 0.000 1.334 345 W CA 0.737 57.834 57.345 -0.414 0.000 1.227 345 W CB 1.010 30.286 29.460 -0.308 0.000 1.178 345 W HN 0.674 nan 8.180 nan 0.000 0.560 346 T N 1.330 115.421 114.554 -0.773 0.000 3.209 346 T HA 0.257 4.607 4.350 0.000 0.000 0.295 346 T C -0.264 173.942 174.700 -0.824 0.000 0.977 346 T CA -0.210 61.551 62.100 -0.565 0.000 0.922 346 T CB 0.082 68.864 68.868 -0.143 0.000 1.152 346 T HN 0.651 nan 8.240 nan 0.000 0.527 347 E N -0.010 119.077 120.200 -1.855 0.000 9.073 347 E HA -0.143 4.207 4.350 0.000 0.000 0.486 347 E C -1.311 175.026 176.600 -0.439 0.000 1.369 347 E CA -0.315 55.188 56.400 -1.495 0.000 2.399 347 E CB -0.806 28.480 29.700 -0.689 0.000 1.019 347 E HN 0.226 nan 8.360 nan 0.000 0.265 348 F N 3.038 122.787 119.950 -0.335 0.000 2.569 348 F HA -0.048 4.479 4.527 0.000 0.000 0.395 348 F C 1.613 177.418 175.800 0.007 0.000 1.028 348 F CA 1.481 59.486 58.000 0.008 0.000 1.158 348 F CB -0.863 38.178 39.000 0.068 0.000 1.023 348 F HN 0.473 nan 8.300 nan 0.000 0.547 349 H N -0.405 118.801 119.070 0.226 0.000 2.958 349 H HA -0.161 4.395 4.556 0.000 0.000 0.274 349 H C 1.044 176.411 175.328 0.064 0.000 1.184 349 H CA 0.587 56.685 56.048 0.084 0.000 1.143 349 H CB -1.424 28.314 29.762 -0.040 0.000 1.297 349 H HN 0.705 nan 8.280 nan 0.000 0.356 350 G N 0.721 109.591 108.800 0.118 0.000 2.356 350 G HA2 0.309 4.269 3.960 0.000 0.000 0.273 350 G HA3 0.309 4.269 3.960 0.000 0.000 0.273 350 G C 0.478 175.403 174.900 0.041 0.000 1.213 350 G CA 0.387 45.495 45.100 0.014 0.000 0.955 350 G HN 0.442 nan 8.290 nan 0.000 0.454 351 E N 2.085 122.307 120.200 0.038 0.000 2.791 351 E HA -0.219 4.131 4.350 0.000 0.000 0.271 351 E C 0.163 176.813 176.600 0.085 0.000 1.044 351 E CA 0.511 56.931 56.400 0.033 0.000 0.814 351 E CB -0.791 28.904 29.700 -0.009 0.000 1.400 351 E HN 0.810 nan 8.360 nan 0.000 0.423 352 D N -2.266 118.233 120.400 0.165 0.000 3.028 352 D HA -0.192 4.448 4.640 0.000 0.000 0.207 352 D C 0.061 176.588 176.300 0.378 0.000 1.100 352 D CA 1.569 55.761 54.000 0.321 0.000 0.995 352 D CB -0.927 40.142 40.800 0.447 0.000 1.108 352 D HN 0.419 nan 8.370 nan 0.000 0.421 353 R N 0.237 120.802 120.500 0.108 0.000 2.390 353 R HA 0.341 4.681 4.340 0.000 0.000 0.291 353 R C 0.920 176.990 176.300 -0.385 0.000 1.070 353 R CA -0.141 55.838 56.100 -0.202 0.000 1.014 353 R CB 0.268 30.365 30.300 -0.338 0.000 1.007 353 R HN 0.354 nan 8.270 nan 0.000 0.466 354 Y N -1.700 118.105 120.300 -0.824 0.000 2.809 354 Y HA 0.494 5.044 4.550 0.000 0.000 0.251 354 Y C -0.549 174.602 175.900 -1.248 0.000 1.136 354 Y CA -0.729 56.760 58.100 -1.017 0.000 1.185 354 Y CB 0.694 38.769 38.460 -0.642 0.000 1.260 354 Y HN 0.410 nan 8.280 nan 0.000 0.576 355 S N -0.667 113.959 115.700 -1.790 0.000 2.537 355 S HA 0.241 4.711 4.470 0.000 0.000 0.271 355 S C -1.127 173.096 174.600 -0.628 0.000 1.148 355 S CA -0.674 56.952 58.200 -0.957 0.000 0.868 355 S CB 0.290 63.179 63.200 -0.519 0.000 1.115 355 S HN 0.449 nan 8.310 nan 0.000 0.461 356 W N 2.576 123.948 121.300 0.121 0.000 3.139 356 W HA 0.323 4.983 4.660 0.000 0.000 0.260 356 W C 0.904 177.600 176.519 0.295 0.000 1.312 356 W CA -0.332 57.199 57.345 0.309 0.000 1.606 356 W CB 0.308 30.037 29.460 0.448 0.000 1.118 356 W HN 0.276 nan 8.180 nan 0.000 0.675 357 M N 1.195 120.989 119.600 0.324 0.000 2.277 357 M HA 0.182 4.662 4.480 0.000 0.000 0.350 357 M C 0.441 176.835 176.300 0.157 0.000 1.180 357 M CA -0.010 55.417 55.300 0.212 0.000 1.103 357 M CB 1.241 33.901 32.600 0.100 0.000 1.577 357 M HN -0.246 nan 8.290 nan 0.000 0.459 358 K N 1.199 121.660 120.400 0.102 0.000 2.117 358 K HA 0.553 4.873 4.320 0.000 0.000 0.240 358 K C -0.349 176.221 176.600 -0.049 0.000 1.031 358 K CA -0.495 55.792 56.287 -0.000 0.000 0.909 358 K CB 0.763 33.195 32.500 -0.113 0.000 1.097 358 K HN 0.727 nan 8.250 nan 0.000 0.492 359 A N 2.653 125.439 122.820 -0.057 0.000 2.511 359 A HA 0.362 4.682 4.320 0.000 0.000 0.340 359 A C -2.497 175.009 177.584 -0.130 0.000 1.396 359 A CA -1.737 50.254 52.037 -0.077 0.000 0.887 359 A CB 0.199 19.187 19.000 -0.021 0.000 1.145 359 A HN 0.299 nan 8.150 nan 0.000 0.497 360 P HA 0.352 nan 4.420 nan 0.000 0.271 360 P C -0.392 176.620 177.300 -0.479 0.000 1.220 360 P CA -0.045 62.648 63.100 -0.678 0.000 0.768 360 P CB 0.664 31.420 31.700 -1.573 0.000 0.848 361 R N 2.472 122.904 120.500 -0.114 0.000 2.670 361 R HA 0.453 4.793 4.340 0.000 0.000 0.289 361 R C -1.361 175.213 176.300 0.457 0.000 0.965 361 R CA -1.254 54.988 56.100 0.237 0.000 0.899 361 R CB 0.736 31.173 30.300 0.230 0.000 1.173 361 R HN 0.451 nan 8.270 nan 0.000 0.456 362 Y N 2.519 123.137 120.300 0.531 0.000 2.369 362 Y HA 0.187 4.737 4.550 0.000 0.000 0.337 362 Y C 0.627 176.763 175.900 0.394 0.000 0.961 362 Y CA -0.526 57.795 58.100 0.368 0.000 1.186 362 Y CB 0.748 39.130 38.460 -0.131 0.000 1.139 362 Y HN 0.729 nan 8.280 nan 0.000 0.494 363 K N 4.723 125.105 120.400 -0.031 0.000 3.077 363 K HA -0.255 4.065 4.320 0.000 0.000 0.264 363 K C 0.788 177.536 176.600 0.247 0.000 1.008 363 K CA 1.062 57.381 56.287 0.053 0.000 0.740 363 K CB -1.533 31.041 32.500 0.124 0.000 1.273 363 K HN 1.468 nan 8.250 nan 0.000 0.477 364 G N -0.922 108.028 108.800 0.250 0.000 2.184 364 G HA2 -0.284 3.676 3.960 0.000 0.000 0.264 364 G HA3 -0.284 3.676 3.960 0.000 0.000 0.264 364 G C -0.251 174.814 174.900 0.275 0.000 0.975 364 G CA 0.816 46.060 45.100 0.240 0.000 0.642 364 G HN 0.484 nan 8.290 nan 0.000 0.536 365 E N -0.056 120.407 120.200 0.439 0.000 2.222 365 E HA 0.710 5.060 4.350 0.000 0.000 0.267 365 E C 0.445 177.325 176.600 0.467 0.000 0.963 365 E CA -0.051 56.603 56.400 0.425 0.000 0.837 365 E CB 1.600 31.656 29.700 0.593 0.000 1.183 365 E HN 0.718 nan 8.360 nan 0.000 0.403 366 A N 1.995 124.963 122.820 0.246 0.000 2.363 366 A HA 0.557 4.877 4.320 0.000 0.000 0.270 366 A C -0.845 176.835 177.584 0.160 0.000 1.121 366 A CA -0.015 52.160 52.037 0.229 0.000 0.800 366 A CB -0.015 19.025 19.000 0.067 0.000 1.052 366 A HN 0.437 nan 8.150 nan 0.000 0.493 367 F N -0.448 119.621 119.950 0.199 0.000 2.640 367 F HA 0.530 5.057 4.527 0.000 0.000 0.324 367 F C 0.244 176.053 175.800 0.016 0.000 1.077 367 F CA -0.410 57.584 58.000 -0.010 0.000 0.965 367 F CB 2.156 41.058 39.000 -0.163 0.000 1.351 367 F HN 0.679 nan 8.300 nan 0.000 0.487 368 E N 1.544 121.769 120.200 0.043 0.000 2.187 368 E HA 0.652 5.002 4.350 0.000 0.000 0.268 368 E C -1.716 174.949 176.600 0.108 0.000 0.896 368 E CA -0.764 55.707 56.400 0.118 0.000 0.766 368 E CB 1.839 31.585 29.700 0.077 0.000 1.142 368 E HN 0.487 nan 8.360 nan 0.000 0.408 369 V N 0.931 120.905 119.914 0.100 0.000 2.960 369 V HA 1.041 5.161 4.120 0.000 0.000 0.315 369 V C 0.261 176.392 176.094 0.062 0.000 1.087 369 V CA 0.281 62.565 62.300 -0.027 0.000 0.982 369 V CB 1.076 32.771 31.823 -0.213 0.000 1.039 369 V HN 0.983 nan 8.190 nan 0.000 0.437 370 G N 2.357 111.162 108.800 0.007 0.000 2.315 370 G HA2 0.142 4.102 3.960 0.000 0.000 0.296 370 G HA3 0.142 4.102 3.960 0.000 0.000 0.296 370 G C -2.747 172.143 174.900 -0.017 0.000 1.289 370 G CA 0.045 45.152 45.100 0.011 0.000 0.996 370 G HN 0.608 nan 8.290 nan 0.000 0.487 371 P HA -0.038 nan 4.420 nan 0.000 0.215 371 P C 2.270 179.514 177.300 -0.094 0.000 1.157 371 P CA 1.485 64.550 63.100 -0.060 0.000 0.874 371 P CB 0.091 31.721 31.700 -0.117 0.000 0.790 372 L N -0.202 120.956 121.223 -0.109 0.000 1.989 372 L HA -0.146 4.194 4.340 0.000 0.000 0.211 372 L C 2.307 179.065 176.870 -0.187 0.000 1.071 372 L CA 2.286 57.021 54.840 -0.176 0.000 0.749 372 L CB -1.633 40.339 42.059 -0.145 0.000 0.890 372 L HN -0.099 nan 8.230 nan 0.000 0.431 373 A N -1.556 121.247 122.820 -0.028 0.000 1.902 373 A HA -0.199 4.121 4.320 0.000 0.000 0.217 373 A C 2.365 179.912 177.584 -0.062 0.000 1.181 373 A CA 2.087 54.145 52.037 0.035 0.000 0.623 373 A CB -0.985 18.109 19.000 0.156 0.000 0.818 373 A HN 0.556 nan 8.150 nan 0.000 0.443 374 S N -0.387 115.271 115.700 -0.070 0.000 2.356 374 S HA -0.134 4.336 4.470 0.000 0.000 0.223 374 S C 1.880 176.431 174.600 -0.082 0.000 1.032 374 S CA 1.498 59.653 58.200 -0.076 0.000 1.005 374 S CB -0.565 62.617 63.200 -0.031 0.000 0.867 374 S HN 0.338 nan 8.310 nan 0.000 0.449 375 V N 2.074 121.932 119.914 -0.093 0.000 2.427 375 V HA -0.108 4.012 4.120 0.000 0.000 0.248 375 V C 2.147 178.185 176.094 -0.094 0.000 1.051 375 V CA 1.337 63.578 62.300 -0.098 0.000 1.048 375 V CB -0.708 31.031 31.823 -0.140 0.000 0.666 375 V HN 0.399 nan 8.190 nan 0.000 0.456 376 L N -0.698 120.428 121.223 -0.163 0.000 2.093 376 L HA -0.116 4.224 4.340 0.000 0.000 0.208 376 L C 2.443 179.305 176.870 -0.014 0.000 1.085 376 L CA 0.981 55.739 54.840 -0.137 0.000 0.755 376 L CB -0.455 41.387 42.059 -0.362 0.000 0.904 376 L HN 0.204 nan 8.230 nan 0.000 0.435 377 V N 0.013 119.905 119.914 -0.037 0.000 2.270 377 V HA -0.276 3.844 4.120 0.000 0.000 0.245 377 V C 2.756 178.840 176.094 -0.017 0.000 1.043 377 V CA 1.804 64.092 62.300 -0.021 0.000 1.014 377 V CB -0.875 30.915 31.823 -0.055 0.000 0.645 377 V HN 0.469 nan 8.190 nan 0.000 0.447 378 A N -0.734 122.063 122.820 -0.039 0.000 1.883 378 A HA -0.313 4.007 4.320 0.000 0.000 0.217 378 A C 2.196 179.824 177.584 0.073 0.000 1.186 378 A CA 2.423 54.438 52.037 -0.037 0.000 0.624 378 A CB -0.895 18.023 19.000 -0.138 0.000 0.822 378 A HN 0.656 nan 8.150 nan 0.000 0.444 379 Y N 0.536 120.812 120.300 -0.040 0.000 2.145 379 Y HA -0.066 4.484 4.550 0.000 0.000 0.286 379 Y C 2.654 178.543 175.900 -0.018 0.000 1.145 379 Y CA 1.317 59.398 58.100 -0.031 0.000 1.148 379 Y CB -0.621 37.797 38.460 -0.071 0.000 0.981 379 Y HN 0.299 nan 8.280 nan 0.000 0.507 380 A N 0.141 122.929 122.820 -0.053 0.000 1.972 380 A HA -0.170 4.150 4.320 0.000 0.000 0.219 380 A C 2.054 179.581 177.584 -0.095 0.000 1.169 380 A CA 1.776 53.748 52.037 -0.108 0.000 0.635 380 A CB -0.519 18.486 19.000 0.008 0.000 0.810 380 A HN 0.502 nan 8.150 nan 0.000 0.446 381 K N -0.599 119.773 120.400 -0.047 0.000 2.458 381 K HA 0.103 4.423 4.320 0.000 0.000 0.194 381 K C -0.477 176.106 176.600 -0.029 0.000 1.024 381 K CA 0.030 56.302 56.287 -0.025 0.000 1.108 381 K CB 0.056 32.554 32.500 -0.003 0.000 0.846 381 K HN 0.393 nan 8.250 nan 0.000 0.518 382 K N 0.924 121.279 120.400 -0.074 0.000 3.239 382 K HA -0.214 4.106 4.320 0.000 0.000 0.270 382 K C -0.753 175.848 176.600 0.003 0.000 1.049 382 K CA 0.323 56.567 56.287 -0.072 0.000 0.769 382 K CB -1.900 30.553 32.500 -0.077 0.000 1.305 382 K HN 0.416 nan 8.250 nan 0.000 0.469 383 H N 1.091 120.124 119.070 -0.060 0.000 2.864 383 H HA 0.101 4.657 4.556 0.000 0.000 0.281 383 H C 1.267 176.572 175.328 -0.038 0.000 1.093 383 H CA -0.015 55.992 56.048 -0.067 0.000 1.453 383 H CB 0.726 30.423 29.762 -0.109 0.000 1.462 383 H HN 0.160 nan 8.280 nan 0.000 0.480 384 E N 5.230 125.280 120.200 -0.249 0.000 2.086 384 E HA -0.170 4.180 4.350 0.000 0.000 0.200 384 E C -0.801 175.703 176.600 -0.160 0.000 1.012 384 E CA 1.743 58.040 56.400 -0.173 0.000 0.812 384 E CB -0.845 28.770 29.700 -0.142 0.000 0.743 384 E HN 0.686 nan 8.360 nan 0.000 0.453 385 P HA -0.109 nan 4.420 nan 0.000 0.215 385 P C 1.502 178.803 177.300 0.002 0.000 1.157 385 P CA 1.615 64.644 63.100 -0.119 0.000 0.868 385 P CB -0.276 31.368 31.700 -0.094 0.000 0.788 386 T N -0.185 114.426 114.554 0.095 0.000 2.674 386 T HA -0.090 4.260 4.350 0.000 0.000 0.265 386 T C 1.939 176.716 174.700 0.128 0.000 1.039 386 T CA 1.448 63.645 62.100 0.161 0.000 1.150 386 T CB -1.097 67.938 68.868 0.277 0.000 0.864 386 T HN -0.142 nan 8.240 nan 0.000 0.427 387 V N 1.514 121.533 119.914 0.174 0.000 2.287 387 V HA -0.193 3.927 4.120 0.000 0.000 0.248 387 V C 2.502 178.661 176.094 0.108 0.000 1.053 387 V CA 1.631 64.079 62.300 0.246 0.000 1.027 387 V CB -0.500 31.396 31.823 0.120 0.000 0.646 387 V HN 0.454 nan 8.190 nan 0.000 0.447 388 K N -0.100 120.319 120.400 0.032 0.000 2.097 388 K HA -0.132 4.188 4.320 0.000 0.000 0.206 388 K C 2.268 178.855 176.600 -0.022 0.000 1.049 388 K CA 1.463 57.749 56.287 -0.001 0.000 0.933 388 K CB -0.348 32.139 32.500 -0.022 0.000 0.717 388 K HN 0.495 nan 8.250 nan 0.000 0.442 389 A N 0.766 123.568 122.820 -0.030 0.000 1.897 389 A HA -0.082 4.238 4.320 0.000 0.000 0.215 389 A C 2.318 179.829 177.584 -0.122 0.000 1.181 389 A CA 1.047 53.042 52.037 -0.070 0.000 0.620 389 A CB -0.477 18.487 19.000 -0.060 0.000 0.821 389 A HN 0.060 nan 8.150 nan 0.000 0.443 390 V N 0.730 120.551 119.914 -0.154 0.000 2.295 390 V HA -0.238 3.882 4.120 0.000 0.000 0.246 390 V C 2.196 178.159 176.094 -0.218 0.000 1.049 390 V CA 2.383 64.509 62.300 -0.290 0.000 1.024 390 V CB -0.746 30.720 31.823 -0.596 0.000 0.648 390 V HN 0.518 nan 8.190 nan 0.000 0.447 391 D N -0.106 120.222 120.400 -0.120 0.000 2.123 391 D HA -0.189 4.451 4.640 0.000 0.000 0.196 391 D C 1.985 178.234 176.300 -0.085 0.000 0.992 391 D CA 1.525 55.483 54.000 -0.069 0.000 0.833 391 D CB -0.466 40.329 40.800 -0.007 0.000 0.954 391 D HN 0.377 nan 8.370 nan 0.000 0.455 392 L N 0.782 121.951 121.223 -0.089 0.000 1.990 392 L HA -0.204 4.136 4.340 0.000 0.000 0.213 392 L C 2.217 179.019 176.870 -0.113 0.000 1.072 392 L CA 1.591 56.375 54.840 -0.093 0.000 0.755 392 L CB -0.664 41.337 42.059 -0.098 0.000 0.889 392 L HN -0.097 nan 8.230 nan 0.000 0.432 393 V N -0.032 119.797 119.914 -0.141 0.000 2.223 393 V HA -0.320 3.800 4.120 0.000 0.000 0.244 393 V C 2.605 178.612 176.094 -0.146 0.000 1.045 393 V CA 2.266 64.469 62.300 -0.163 0.000 1.000 393 V CB -0.673 31.030 31.823 -0.200 0.000 0.635 393 V HN 0.515 nan 8.190 nan 0.000 0.445 394 L N 0.250 121.384 121.223 -0.147 0.000 2.127 394 L HA -0.214 4.126 4.340 0.000 0.000 0.211 394 L C 2.622 179.437 176.870 -0.092 0.000 1.089 394 L CA 1.902 56.669 54.840 -0.122 0.000 0.757 394 L CB -0.784 41.201 42.059 -0.124 0.000 0.899 394 L HN 0.394 nan 8.230 nan 0.000 0.434 395 K N 0.177 120.525 120.400 -0.088 0.000 2.103 395 K HA -0.119 4.201 4.320 0.000 0.000 0.204 395 K C 1.868 178.422 176.600 -0.077 0.000 1.052 395 K CA 1.725 57.970 56.287 -0.070 0.000 0.945 395 K CB -0.049 32.415 32.500 -0.060 0.000 0.722 395 K HN 0.205 nan 8.250 nan 0.000 0.443 396 T N 1.770 116.269 114.554 -0.093 0.000 2.857 396 T HA 0.029 4.379 4.350 0.000 0.000 0.266 396 T C 1.708 176.345 174.700 -0.105 0.000 1.048 396 T CA 0.883 62.924 62.100 -0.099 0.000 1.139 396 T CB 0.056 68.856 68.868 -0.112 0.000 0.874 396 T HN 0.174 nan 8.240 nan 0.000 0.455 397 L N 0.401 121.559 121.223 -0.108 0.000 2.567 397 L HA 0.314 4.654 4.340 0.000 0.000 0.225 397 L C 1.561 178.381 176.870 -0.083 0.000 1.119 397 L CA -0.037 54.740 54.840 -0.105 0.000 0.871 397 L CB -0.448 41.547 42.059 -0.106 0.000 1.036 397 L HN 0.382 nan 8.230 nan 0.000 0.459 398 G N 1.741 110.497 108.800 -0.074 0.000 2.350 398 G HA2 -0.193 3.767 3.960 0.000 0.000 0.298 398 G HA3 -0.193 3.767 3.960 0.000 0.000 0.298 398 G C -0.038 174.834 174.900 -0.047 0.000 1.037 398 G CA 0.490 45.556 45.100 -0.056 0.000 1.074 398 G HN 0.311 nan 8.290 nan 0.000 0.511 399 V N -2.738 117.146 119.914 -0.050 0.000 3.156 399 V HA 1.072 5.192 4.120 0.000 0.000 0.310 399 V C 0.743 176.814 176.094 -0.039 0.000 1.234 399 V CA -0.195 62.083 62.300 -0.037 0.000 1.065 399 V CB 1.668 33.468 31.823 -0.039 0.000 1.088 399 V HN 1.317 nan 8.190 nan 0.000 0.451 400 G N -0.935 107.852 108.800 -0.022 0.000 2.705 400 G HA2 0.678 4.638 3.960 0.000 0.000 0.299 400 G HA3 0.678 4.638 3.960 0.000 0.000 0.299 400 G C -2.190 172.689 174.900 -0.035 0.000 1.315 400 G CA -1.302 43.791 45.100 -0.013 0.000 1.045 400 G HN 0.616 nan 8.290 nan 0.000 0.517 401 P HA -0.013 nan 4.420 nan 0.000 0.226 401 P C 1.318 178.601 177.300 -0.028 0.000 1.153 401 P CA 1.053 64.107 63.100 -0.077 0.000 0.777 401 P CB 0.183 31.909 31.700 0.044 0.000 0.794 402 E N 0.033 120.303 120.200 0.117 0.000 2.418 402 E HA -0.043 4.307 4.350 0.000 0.000 0.197 402 E C 1.706 178.427 176.600 0.202 0.000 1.026 402 E CA 0.773 57.346 56.400 0.290 0.000 0.862 402 E CB -0.659 29.170 29.700 0.216 0.000 0.799 402 E HN 0.094 nan 8.360 nan 0.000 0.518 403 A N 1.094 123.940 122.820 0.042 0.000 2.067 403 A HA 0.076 4.396 4.320 0.000 0.000 0.217 403 A C 2.103 179.637 177.584 -0.084 0.000 1.156 403 A CA 0.413 52.451 52.037 0.001 0.000 0.683 403 A CB -0.390 18.591 19.000 -0.032 0.000 0.808 403 A HN 0.317 nan 8.150 nan 0.000 0.455 404 L N -1.623 119.453 121.223 -0.246 0.000 2.201 404 L HA -0.055 4.285 4.340 0.000 0.000 0.212 404 L C 0.494 177.083 176.870 -0.468 0.000 1.105 404 L CA 0.464 55.035 54.840 -0.448 0.000 0.775 404 L CB -0.425 41.218 42.059 -0.695 0.000 0.913 404 L HN 0.350 nan 8.230 nan 0.000 0.440 405 F N 0.850 120.778 119.950 -0.037 0.000 2.668 405 F HA 0.106 4.633 4.527 0.000 0.000 0.365 405 F C 0.943 176.794 175.800 0.084 0.000 1.165 405 F CA -0.250 57.776 58.000 0.043 0.000 1.344 405 F CB -0.821 38.231 39.000 0.086 0.000 1.658 405 F HN 0.033 nan 8.300 nan 0.000 0.620 406 S N -2.715 113.077 115.700 0.153 0.000 2.727 406 S HA 0.310 4.780 4.470 0.000 0.000 0.278 406 S C 0.613 175.305 174.600 0.153 0.000 1.186 406 S CA -0.581 57.721 58.200 0.170 0.000 0.836 406 S CB 1.239 64.526 63.200 0.146 0.000 1.186 406 S HN -0.061 nan 8.310 nan 0.000 0.499 407 T N 1.085 115.784 114.554 0.242 0.000 2.904 407 T HA 0.011 4.361 4.350 0.000 0.000 0.267 407 T C 1.654 176.474 174.700 0.199 0.000 1.059 407 T CA 1.384 63.645 62.100 0.268 0.000 1.137 407 T CB -0.529 68.640 68.868 0.501 0.000 0.879 407 T HN 0.435 nan 8.240 nan 0.000 0.467 408 L N 1.444 122.786 121.223 0.199 0.000 2.027 408 L HA 0.151 4.491 4.340 0.000 0.000 0.206 408 L C 2.604 179.454 176.870 -0.034 0.000 1.074 408 L CA 1.772 56.647 54.840 0.057 0.000 0.745 408 L CB -1.139 40.981 42.059 0.101 0.000 0.898 408 L HN 0.290 nan 8.230 nan 0.000 0.433 409 G N -1.190 107.587 108.800 -0.037 0.000 2.432 409 G HA2 -0.318 3.642 3.960 0.000 0.000 0.219 409 G HA3 -0.318 3.642 3.960 0.000 0.000 0.219 409 G C 1.813 176.624 174.900 -0.148 0.000 1.135 409 G CA 0.763 45.784 45.100 -0.131 0.000 0.767 409 G HN 0.384 nan 8.290 nan 0.000 0.550 410 R N -0.246 120.197 120.500 -0.095 0.000 2.148 410 R HA -0.038 4.302 4.340 0.000 0.000 0.227 410 R C 2.330 178.575 176.300 -0.093 0.000 1.103 410 R CA 1.724 57.751 56.100 -0.121 0.000 0.983 410 R CB -0.184 30.018 30.300 -0.162 0.000 0.874 410 R HN 0.338 nan 8.270 nan 0.000 0.451 411 T N -0.267 114.264 114.554 -0.039 0.000 2.976 411 T HA 0.110 4.460 4.350 0.000 0.000 0.257 411 T C 1.719 176.354 174.700 -0.108 0.000 1.051 411 T CA 0.835 62.938 62.100 0.005 0.000 1.141 411 T CB 0.058 68.951 68.868 0.040 0.000 0.881 411 T HN 0.363 nan 8.240 nan 0.000 0.461 412 A N 1.630 124.347 122.820 -0.170 0.000 1.897 412 A HA 0.307 4.627 4.320 0.000 0.000 0.215 412 A C 2.622 180.062 177.584 -0.241 0.000 1.181 412 A CA 1.527 53.421 52.037 -0.238 0.000 0.620 412 A CB -1.056 17.804 19.000 -0.233 0.000 0.821 412 A HN 0.465 nan 8.150 nan 0.000 0.443 413 A N 0.035 122.724 122.820 -0.218 0.000 1.978 413 A HA -0.219 4.101 4.320 0.000 0.000 0.220 413 A C 2.210 179.670 177.584 -0.208 0.000 1.170 413 A CA 1.882 53.791 52.037 -0.213 0.000 0.636 413 A CB -0.506 18.366 19.000 -0.214 0.000 0.810 413 A HN 0.596 nan 8.150 nan 0.000 0.448 414 R N -0.591 119.772 120.500 -0.228 0.000 2.148 414 R HA -0.050 4.290 4.340 0.000 0.000 0.227 414 R C 2.116 178.206 176.300 -0.349 0.000 1.103 414 R CA 1.389 57.271 56.100 -0.364 0.000 0.983 414 R CB -0.564 29.570 30.300 -0.276 0.000 0.874 414 R HN 0.421 nan 8.270 nan 0.000 0.451 415 G N 0.742 109.366 108.800 -0.293 0.000 2.403 415 G HA2 -0.149 3.811 3.960 0.000 0.000 0.216 415 G HA3 -0.149 3.811 3.960 0.000 0.000 0.216 415 G C 1.396 176.124 174.900 -0.287 0.000 1.154 415 G CA 0.543 45.370 45.100 -0.454 0.000 0.784 415 G HN 0.239 nan 8.290 nan 0.000 0.538 416 I N 0.421 120.859 120.570 -0.219 0.000 2.202 416 I HA -0.174 3.996 4.170 0.000 0.000 0.242 416 I C 2.840 178.952 176.117 -0.009 0.000 1.091 416 I CA 1.567 62.792 61.300 -0.126 0.000 1.368 416 I CB -0.239 37.676 38.000 -0.142 0.000 1.058 416 I HN 0.254 nan 8.210 nan 0.000 0.410 417 Q N 0.252 120.058 119.800 0.009 0.000 2.170 417 Q HA -0.279 4.061 4.340 0.000 0.000 0.203 417 Q C 2.422 178.649 176.000 0.377 0.000 0.976 417 Q CA 2.008 57.926 55.803 0.191 0.000 0.858 417 Q CB -0.302 28.540 28.738 0.172 0.000 0.907 417 Q HN 0.639 nan 8.270 nan 0.000 0.433 418 C N -0.272 119.215 119.300 0.310 0.000 2.446 418 C HA 0.013 4.473 4.460 0.000 0.000 0.279 418 C C 2.346 177.535 174.990 0.332 0.000 1.366 418 C CA 0.588 59.924 59.018 0.530 0.000 1.763 418 C CB -0.924 27.163 27.740 0.579 0.000 1.929 418 C HN 0.738 nan 8.230 nan 0.000 0.509 419 L N 1.468 122.798 121.223 0.178 0.000 2.249 419 L HA 0.099 4.439 4.340 0.000 0.000 0.207 419 L C 2.714 179.658 176.870 0.122 0.000 1.090 419 L CA 2.589 57.497 54.840 0.114 0.000 0.802 419 L CB -0.844 41.220 42.059 0.008 0.000 0.947 419 L HN 0.539 nan 8.230 nan 0.000 0.453 420 T N -2.896 111.758 114.554 0.166 0.000 2.777 420 T HA -0.050 4.300 4.350 0.000 0.000 0.266 420 T C 1.921 176.747 174.700 0.210 0.000 1.040 420 T CA 0.960 63.193 62.100 0.221 0.000 1.141 420 T CB -0.788 68.244 68.868 0.274 0.000 0.868 420 T HN 0.306 nan 8.240 nan 0.000 0.444 421 A N 2.245 125.197 122.820 0.220 0.000 1.858 421 A HA 0.294 4.614 4.320 0.000 0.000 0.216 421 A C 2.896 180.451 177.584 -0.049 0.000 1.190 421 A CA 2.138 54.203 52.037 0.046 0.000 0.617 421 A CB -1.563 17.554 19.000 0.195 0.000 0.827 421 A HN 0.808 nan 8.150 nan 0.000 0.443 422 A N -0.884 122.004 122.820 0.114 0.000 1.948 422 A HA -0.259 4.061 4.320 0.000 0.000 0.220 422 A C 2.115 179.752 177.584 0.087 0.000 1.177 422 A CA 1.940 54.077 52.037 0.167 0.000 0.636 422 A CB -0.573 18.537 19.000 0.184 0.000 0.815 422 A HN 0.682 nan 8.150 nan 0.000 0.449 423 Q N -1.468 118.325 119.800 -0.013 0.000 2.083 423 Q HA -0.146 4.194 4.340 0.000 0.000 0.198 423 Q C 2.020 177.854 176.000 -0.277 0.000 0.969 423 Q CA 1.410 57.172 55.803 -0.068 0.000 0.838 423 Q CB -0.085 28.631 28.738 -0.037 0.000 0.900 423 Q HN 0.631 nan 8.270 nan 0.000 0.436 424 E N 0.008 119.869 120.200 -0.564 0.000 2.347 424 E HA -0.078 4.272 4.350 0.000 0.000 0.196 424 E C 1.608 177.325 176.600 -1.472 0.000 1.008 424 E CA 0.287 55.979 56.400 -1.180 0.000 0.852 424 E CB 0.108 28.657 29.700 -1.918 0.000 0.783 424 E HN 0.089 nan 8.360 nan 0.000 0.505 425 V N 0.482 119.845 119.914 -0.918 0.000 2.469 425 V HA -0.253 3.867 4.120 0.000 0.000 0.251 425 V C 2.207 177.963 176.094 -0.563 0.000 1.064 425 V CA 2.004 63.927 62.300 -0.629 0.000 1.066 425 V CB -0.431 31.182 31.823 -0.350 0.000 0.667 425 V HN 0.271 nan 8.190 nan 0.000 0.461 426 E N 0.064 119.992 120.200 -0.454 0.000 2.077 426 E HA -0.179 4.171 4.350 0.000 0.000 0.193 426 E C 2.102 178.544 176.600 -0.262 0.000 0.989 426 E CA 1.484 57.743 56.400 -0.236 0.000 0.800 426 E CB -0.302 29.369 29.700 -0.049 0.000 0.746 426 E HN 0.358 nan 8.360 nan 0.000 0.452 427 V N -0.102 119.554 119.914 -0.429 0.000 2.261 427 V HA -0.250 3.870 4.120 0.000 0.000 0.246 427 V C 1.979 177.936 176.094 -0.229 0.000 1.047 427 V CA 1.932 64.004 62.300 -0.380 0.000 1.015 427 V CB -0.636 30.861 31.823 -0.543 0.000 0.642 427 V HN 0.463 nan 8.190 nan 0.000 0.446 428 W N -0.839 120.337 121.300 -0.207 0.000 2.374 428 W HA -0.098 4.562 4.660 0.000 0.000 0.288 428 W C 2.230 178.625 176.519 -0.206 0.000 1.218 428 W CA 0.713 57.933 57.345 -0.207 0.000 1.245 428 W CB -1.335 27.971 29.460 -0.257 0.000 1.126 428 W HN 0.264 nan 8.180 nan 0.000 0.545 429 L N 1.143 122.358 121.223 -0.013 0.000 1.994 429 L HA -0.197 4.143 4.340 0.000 0.000 0.208 429 L C 1.929 178.780 176.870 -0.030 0.000 1.071 429 L CA 2.198 56.998 54.840 -0.066 0.000 0.745 429 L CB -1.163 40.849 42.059 -0.079 0.000 0.892 429 L HN -0.254 nan 8.230 nan 0.000 0.431 430 D N -0.316 120.066 120.400 -0.029 0.000 2.106 430 D HA -0.232 4.408 4.640 0.000 0.000 0.191 430 D C 2.252 178.549 176.300 -0.005 0.000 0.997 430 D CA 1.522 55.514 54.000 -0.014 0.000 0.834 430 D CB -0.053 40.730 40.800 -0.029 0.000 0.956 430 D HN 0.286 nan 8.370 nan 0.000 0.448 431 K N -0.263 120.137 120.400 0.001 0.000 2.002 431 K HA -0.126 4.194 4.320 0.000 0.000 0.209 431 K C 2.128 178.729 176.600 0.001 0.000 1.048 431 K CA 0.505 56.798 56.287 0.011 0.000 0.930 431 K CB -0.353 32.168 32.500 0.036 0.000 0.714 431 K HN 0.008 nan 8.250 nan 0.000 0.438 432 L N 1.911 123.125 121.223 -0.016 0.000 2.021 432 L HA -0.262 4.078 4.340 0.000 0.000 0.215 432 L C 2.169 179.032 176.870 -0.011 0.000 1.074 432 L CA 1.910 56.726 54.840 -0.040 0.000 0.760 432 L CB -0.358 41.636 42.059 -0.108 0.000 0.889 432 L HN 0.244 nan 8.230 nan 0.000 0.433 433 E N -0.995 119.204 120.200 -0.002 0.000 2.110 433 E HA -0.224 4.126 4.350 0.000 0.000 0.193 433 E C 2.040 178.651 176.600 0.017 0.000 0.988 433 E CA 1.040 57.449 56.400 0.015 0.000 0.804 433 E CB -0.110 29.603 29.700 0.021 0.000 0.745 433 E HN 0.668 nan 8.360 nan 0.000 0.458 434 A N 1.067 123.895 122.820 0.013 0.000 1.929 434 A HA -0.148 4.172 4.320 0.000 0.000 0.216 434 A C 1.842 179.435 177.584 0.016 0.000 1.176 434 A CA 1.168 53.214 52.037 0.014 0.000 0.628 434 A CB -0.355 18.651 19.000 0.011 0.000 0.816 434 A HN 0.183 nan 8.150 nan 0.000 0.444 435 N N 0.108 118.817 118.700 0.014 0.000 2.142 435 N HA -0.099 4.641 4.740 0.000 0.000 0.186 435 N C 1.580 177.104 175.510 0.024 0.000 1.023 435 N CA 1.492 54.552 53.050 0.017 0.000 0.852 435 N CB -0.433 38.062 38.487 0.013 0.000 0.998 435 N HN 0.230 nan 8.380 nan 0.000 0.424 436 V N 0.907 120.837 119.914 0.026 0.000 2.548 436 V HA -0.137 3.983 4.120 0.000 0.000 0.249 436 V C 2.062 178.175 176.094 0.032 0.000 1.055 436 V CA 1.307 63.629 62.300 0.036 0.000 1.065 436 V CB -0.292 31.556 31.823 0.043 0.000 0.681 436 V HN 0.236 nan 8.190 nan 0.000 0.462 437 K N 0.532 120.948 120.400 0.027 0.000 2.097 437 K HA -0.064 4.256 4.320 0.000 0.000 0.206 437 K C 2.008 178.621 176.600 0.021 0.000 1.049 437 K CA 1.437 57.738 56.287 0.024 0.000 0.933 437 K CB -0.384 32.128 32.500 0.021 0.000 0.717 437 K HN 0.462 nan 8.250 nan 0.000 0.442 438 A N -0.130 122.702 122.820 0.021 0.000 2.239 438 A HA 0.147 4.468 4.320 0.000 0.000 0.209 438 A C 1.451 179.048 177.584 0.021 0.000 1.171 438 A CA 0.996 53.044 52.037 0.019 0.000 0.768 438 A CB -0.614 18.397 19.000 0.018 0.000 0.790 438 A HN 0.452 nan 8.150 nan 0.000 0.478 439 G N -0.459 108.356 108.800 0.025 0.000 2.205 439 G HA2 -0.289 3.671 3.960 0.000 0.000 0.261 439 G HA3 -0.289 3.671 3.960 0.000 0.000 0.261 439 G C 0.235 175.156 174.900 0.034 0.000 0.980 439 G CA 0.395 45.512 45.100 0.028 0.000 0.632 439 G HN 0.616 nan 8.290 nan 0.000 0.533 440 K N 1.531 121.951 120.400 0.034 0.000 2.228 440 K HA 0.329 4.649 4.320 0.000 0.000 0.284 440 K C 0.096 176.728 176.600 0.053 0.000 1.088 440 K CA 0.434 56.744 56.287 0.040 0.000 0.941 440 K CB 0.516 33.034 32.500 0.031 0.000 1.158 440 K HN 0.454 nan 8.250 nan 0.000 0.438 441 D N 1.147 121.591 120.400 0.074 0.000 2.538 441 D HA 0.041 4.681 4.640 0.000 0.000 0.231 441 D C -0.614 175.790 176.300 0.173 0.000 1.229 441 D CA -0.361 53.708 54.000 0.115 0.000 0.828 441 D CB 0.229 41.098 40.800 0.115 0.000 1.035 441 D HN 0.147 nan 8.370 nan 0.000 0.495 442 D N 0.604 121.090 120.400 0.142 0.000 2.302 442 D HA 0.287 4.927 4.640 0.000 0.000 0.248 442 D C 1.090 177.475 176.300 0.141 0.000 1.094 442 D CA -0.317 53.795 54.000 0.186 0.000 0.897 442 D CB 2.182 43.060 40.800 0.129 0.000 1.200 442 D HN 0.079 nan 8.370 nan 0.000 0.429 443 L N 0.911 122.230 121.223 0.159 0.000 2.993 443 L HA 0.229 4.569 4.340 0.000 0.000 0.264 443 L C -0.522 176.427 176.870 0.131 0.000 1.154 443 L CA -0.224 54.636 54.840 0.032 0.000 0.972 443 L CB 0.523 42.441 42.059 -0.234 0.000 1.373 443 L HN 0.357 nan 8.230 nan 0.000 0.564 444 Y N 0.344 120.680 120.300 0.060 0.000 2.492 444 Y HA 0.502 5.052 4.550 0.000 0.000 0.346 444 Y C -0.789 175.167 175.900 0.093 0.000 0.997 444 Y CA -0.698 57.446 58.100 0.073 0.000 1.025 444 Y CB 2.022 40.555 38.460 0.122 0.000 1.263 444 Y HN -0.235 nan 8.280 nan 0.000 0.454 445 T N 5.201 119.440 114.554 -0.525 0.000 2.824 445 T HA 0.264 4.614 4.350 0.000 0.000 0.282 445 T C -1.150 173.292 174.700 -0.430 0.000 0.993 445 T CA -0.877 61.026 62.100 -0.327 0.000 0.967 445 T CB 0.966 69.741 68.868 -0.155 0.000 0.960 445 T HN 0.484 nan 8.240 nan 0.000 0.441 446 D N 2.928 123.240 120.400 -0.146 0.000 2.382 446 D HA 0.230 4.870 4.640 0.000 0.000 0.240 446 D C -0.047 176.282 176.300 0.048 0.000 1.146 446 D CA 0.219 54.192 54.000 -0.045 0.000 0.897 446 D CB 0.811 41.610 40.800 -0.001 0.000 1.197 446 D HN 0.585 nan 8.370 nan 0.000 0.432 447 W N -0.368 120.860 121.300 -0.121 0.000 3.005 447 W HA 0.429 5.089 4.660 0.000 0.000 0.343 447 W C -1.351 175.092 176.519 -0.126 0.000 1.243 447 W CA -0.738 56.529 57.345 -0.130 0.000 1.186 447 W CB 1.101 30.458 29.460 -0.172 0.000 1.453 447 W HN 0.126 nan 8.180 nan 0.000 0.575 448 Q N 0.542 120.398 119.800 0.092 0.000 2.456 448 Q HA 0.326 4.666 4.340 0.000 0.000 0.284 448 Q C -1.694 174.395 176.000 0.149 0.000 1.061 448 Q CA -0.954 54.795 55.803 -0.090 0.000 0.799 448 Q CB 3.246 31.953 28.738 -0.053 0.000 1.445 448 Q HN 0.467 nan 8.270 nan 0.000 0.411 449 Y N 1.284 121.703 120.300 0.199 0.000 2.319 449 Y HA 0.266 4.816 4.550 0.000 0.000 0.328 449 Y C -1.534 174.443 175.900 0.129 0.000 1.133 449 Y CA -1.406 56.836 58.100 0.236 0.000 1.265 449 Y CB 0.064 38.638 38.460 0.190 0.000 1.218 449 Y HN 0.325 nan 8.280 nan 0.000 0.508 450 P HA 0.086 nan 4.420 nan 0.000 0.273 450 P C 0.721 178.107 177.300 0.142 0.000 1.250 450 P CA -0.105 63.094 63.100 0.164 0.000 0.793 450 P CB 0.671 32.444 31.700 0.122 0.000 1.011 451 T N -1.030 113.573 114.554 0.082 0.000 2.652 451 T HA -0.122 4.228 4.350 0.000 0.000 0.267 451 T C 0.426 175.142 174.700 0.025 0.000 1.039 451 T CA 1.476 63.603 62.100 0.046 0.000 1.153 451 T CB -0.244 68.642 68.868 0.029 0.000 0.863 451 T HN 0.486 nan 8.240 nan 0.000 0.428 452 E N 0.322 120.537 120.200 0.024 0.000 2.275 452 E HA 0.498 4.848 4.350 0.000 0.000 0.270 452 E C -1.230 175.379 176.600 0.015 0.000 0.882 452 E CA -0.474 55.930 56.400 0.007 0.000 0.758 452 E CB 2.112 31.808 29.700 -0.007 0.000 1.195 452 E HN 0.352 nan 8.360 nan 0.000 0.419 453 S N 2.149 117.856 115.700 0.013 0.000 2.615 453 S HA 0.517 4.987 4.470 0.000 0.000 0.269 453 S C -1.326 173.262 174.600 -0.021 0.000 1.161 453 S CA -1.077 57.128 58.200 0.008 0.000 0.817 453 S CB 1.929 65.161 63.200 0.054 0.000 1.131 453 S HN 0.501 nan 8.310 nan 0.000 0.467 454 Q N 0.055 119.824 119.800 -0.052 0.000 2.389 454 Q HA 0.792 5.132 4.340 0.000 0.000 0.277 454 Q C -0.671 175.345 176.000 0.027 0.000 1.082 454 Q CA -1.211 54.540 55.803 -0.087 0.000 0.810 454 Q CB 1.936 30.432 28.738 -0.404 0.000 1.374 454 Q HN 1.216 nan 8.270 nan 0.000 0.422 455 G N 0.350 109.251 108.800 0.168 0.000 2.704 455 G HA2 0.563 4.523 3.960 0.000 0.000 0.293 455 G HA3 0.563 4.523 3.960 0.000 0.000 0.293 455 G C -1.930 172.946 174.900 -0.041 0.000 1.421 455 G CA -0.486 44.653 45.100 0.065 0.000 0.870 455 G HN 0.662 nan 8.290 nan 0.000 0.492 456 V N -0.110 119.618 119.914 -0.310 0.000 2.789 456 V HA 0.924 5.044 4.120 0.000 0.000 0.311 456 V C 0.004 175.571 176.094 -0.878 0.000 1.073 456 V CA 0.058 61.847 62.300 -0.851 0.000 0.921 456 V CB 2.035 32.966 31.823 -1.487 0.000 1.009 456 V HN 1.445 nan 8.190 nan 0.000 0.426 457 G N 5.034 113.261 108.800 -0.956 0.000 2.487 457 G HA2 0.653 4.613 3.960 0.000 0.000 0.314 457 G HA3 0.653 4.613 3.960 0.000 0.000 0.314 457 G C -1.466 172.918 174.900 -0.859 0.000 1.267 457 G CA -0.333 44.332 45.100 -0.725 0.000 0.937 457 G HN 0.476 nan 8.290 nan 0.000 0.481 458 F N 2.172 121.930 119.950 -0.320 0.000 2.426 458 F HA 0.557 5.084 4.527 0.000 0.000 0.348 458 F C 0.149 175.790 175.800 -0.266 0.000 1.124 458 F CA -0.836 57.012 58.000 -0.253 0.000 1.008 458 F CB 2.339 41.237 39.000 -0.169 0.000 1.139 458 F HN 0.193 nan 8.300 nan 0.000 0.452 459 V N 3.343 123.207 119.914 -0.084 0.000 2.735 459 V HA 0.356 4.476 4.120 0.000 0.000 0.310 459 V C -0.480 175.533 176.094 -0.134 0.000 1.061 459 V CA -1.095 61.099 62.300 -0.176 0.000 0.913 459 V CB 2.255 33.909 31.823 -0.282 0.000 1.005 459 V HN 0.694 nan 8.190 nan 0.000 0.428 460 N N 2.748 121.361 118.700 -0.146 0.000 2.699 460 N HA 0.465 5.205 4.740 0.000 0.000 0.232 460 N C -0.055 175.445 175.510 -0.017 0.000 1.027 460 N CA -0.150 52.844 53.050 -0.094 0.000 0.920 460 N CB 1.404 39.833 38.487 -0.095 0.000 1.148 460 N HN 0.884 nan 8.380 nan 0.000 0.509 461 A N 3.778 126.561 122.820 -0.062 0.000 2.327 461 A HA 0.295 4.615 4.320 0.000 0.000 0.255 461 A C -1.271 176.207 177.584 -0.177 0.000 1.099 461 A CA -0.954 51.042 52.037 -0.069 0.000 0.801 461 A CB -0.040 18.903 19.000 -0.094 0.000 1.062 461 A HN 0.443 nan 8.150 nan 0.000 0.496 462 P HA -0.146 nan 4.420 nan 0.000 0.218 462 P C 0.795 178.010 177.300 -0.143 0.000 1.146 462 P CA 1.450 64.257 63.100 -0.488 0.000 0.813 462 P CB 0.064 31.488 31.700 -0.459 0.000 0.778 463 R N -1.595 118.870 120.500 -0.060 0.000 2.359 463 R HA 0.433 4.773 4.340 0.000 0.000 0.231 463 R C 1.034 177.352 176.300 0.030 0.000 0.913 463 R CA 0.351 56.459 56.100 0.014 0.000 1.075 463 R CB 0.264 30.601 30.300 0.062 0.000 1.087 463 R HN 0.189 nan 8.270 nan 0.000 0.515 464 G N 0.772 109.562 108.800 -0.016 0.000 2.306 464 G HA2 -0.188 3.772 3.960 0.000 0.000 0.262 464 G HA3 -0.188 3.772 3.960 0.000 0.000 0.262 464 G C -0.931 173.934 174.900 -0.057 0.000 1.263 464 G CA -0.850 44.227 45.100 -0.037 0.000 1.088 464 G HN 0.031 nan 8.290 nan 0.000 0.489 465 M N 0.993 120.522 119.600 -0.118 0.000 2.435 465 M HA 0.423 4.903 4.480 0.000 0.000 0.338 465 M C -0.579 175.761 176.300 0.066 0.000 1.628 465 M CA -0.187 55.039 55.300 -0.124 0.000 1.215 465 M CB -0.158 32.230 32.600 -0.354 0.000 1.905 465 M HN 0.655 nan 8.290 nan 0.000 0.457 466 L N 6.423 127.678 121.223 0.053 0.000 2.329 466 L HA 0.629 4.969 4.340 0.000 0.000 0.279 466 L C -0.831 176.100 176.870 0.102 0.000 1.014 466 L CA 0.078 54.978 54.840 0.100 0.000 0.814 466 L CB 1.927 43.946 42.059 -0.067 0.000 1.257 466 L HN 0.694 nan 8.230 nan 0.000 0.424 467 S N 2.408 118.226 115.700 0.196 0.000 2.614 467 S HA 0.562 5.032 4.470 0.000 0.000 0.275 467 S C -1.034 173.637 174.600 0.119 0.000 1.161 467 S CA -0.721 57.464 58.200 -0.024 0.000 0.969 467 S CB 0.697 63.940 63.200 0.073 0.000 1.059 467 S HN 0.770 nan 8.310 nan 0.000 0.482 468 H N 1.333 120.177 119.070 -0.377 0.000 2.476 468 H HA 0.410 4.966 4.556 0.000 0.000 0.328 468 H C -1.382 173.589 175.328 -0.595 0.000 1.073 468 H CA -0.642 55.264 56.048 -0.238 0.000 1.229 468 H CB 1.028 30.757 29.762 -0.055 0.000 1.432 468 H HN 0.595 nan 8.280 nan 0.000 0.477 469 W N 4.574 125.585 121.300 -0.482 0.000 2.532 469 W HA 0.496 5.156 4.660 0.000 0.000 0.321 469 W C -0.428 175.715 176.519 -0.627 0.000 1.037 469 W CA -0.568 56.461 57.345 -0.526 0.000 1.220 469 W CB 1.008 30.139 29.460 -0.548 0.000 1.361 469 W HN 0.338 nan 8.180 nan 0.000 0.468 470 I N 2.891 123.345 120.570 -0.194 0.000 2.689 470 I HA 0.699 4.869 4.170 0.000 0.000 0.299 470 I C -1.337 174.840 176.117 0.100 0.000 1.059 470 I CA -1.273 59.906 61.300 -0.202 0.000 1.055 470 I CB 1.926 39.750 38.000 -0.295 0.000 1.243 470 I HN 0.106 nan 8.210 nan 0.000 0.425 471 V N 6.170 126.128 119.914 0.073 0.000 2.447 471 V HA 0.345 4.465 4.120 0.000 0.000 0.292 471 V C -0.771 175.344 176.094 0.035 0.000 1.021 471 V CA -0.529 61.799 62.300 0.048 0.000 0.850 471 V CB 1.498 33.349 31.823 0.046 0.000 1.005 471 V HN 0.791 nan 8.190 nan 0.000 0.426 472 Q N 4.267 124.080 119.800 0.022 0.000 2.348 472 Q HA 0.851 5.191 4.340 0.000 0.000 0.271 472 Q C -0.740 175.247 176.000 -0.023 0.000 1.067 472 Q CA -0.799 55.005 55.803 0.001 0.000 0.839 472 Q CB 2.426 31.172 28.738 0.013 0.000 1.354 472 Q HN 0.449 nan 8.270 nan 0.000 0.447 473 R N 0.956 121.423 120.500 -0.054 0.000 2.531 473 R HA 0.484 4.824 4.340 0.000 0.000 0.293 473 R C -0.271 175.975 176.300 -0.090 0.000 1.124 473 R CA 0.150 56.219 56.100 -0.052 0.000 0.945 473 R CB 0.834 31.114 30.300 -0.034 0.000 1.195 473 R HN 1.234 nan 8.270 nan 0.000 0.433 474 G N 1.755 110.493 108.800 -0.104 0.000 2.147 474 G HA2 -0.236 3.724 3.960 0.000 0.000 0.244 474 G HA3 -0.236 3.724 3.960 0.000 0.000 0.244 474 G C 0.780 175.520 174.900 -0.267 0.000 1.005 474 G CA 0.649 45.675 45.100 -0.124 0.000 0.713 474 G HN 1.612 nan 8.290 nan 0.000 0.515 475 G N -1.739 106.719 108.800 -0.569 0.000 2.176 475 G HA2 -0.072 3.888 3.960 0.000 0.000 0.252 475 G HA3 -0.072 3.888 3.960 0.000 0.000 0.252 475 G C 0.057 174.698 174.900 -0.433 0.000 1.024 475 G CA 1.200 45.636 45.100 -1.107 0.000 0.755 475 G HN 1.176 nan 8.290 nan 0.000 0.507 476 K N -0.343 119.909 120.400 -0.247 0.000 2.427 476 K HA 0.672 4.992 4.320 0.000 0.000 0.252 476 K C 0.377 176.943 176.600 -0.058 0.000 0.931 476 K CA -0.939 55.284 56.287 -0.106 0.000 0.793 476 K CB 1.367 33.823 32.500 -0.072 0.000 1.211 476 K HN 0.181 nan 8.250 nan 0.000 0.426 477 I N 3.470 124.035 120.570 -0.009 0.000 2.471 477 I HA 0.023 4.193 4.170 0.000 0.000 0.286 477 I C 1.134 177.266 176.117 0.026 0.000 1.079 477 I CA 0.099 61.426 61.300 0.044 0.000 1.398 477 I CB 0.842 38.895 38.000 0.089 0.000 1.403 477 I HN 0.529 nan 8.210 nan 0.000 0.530 478 E N 3.765 123.983 120.200 0.031 0.000 2.162 478 E HA 0.106 4.456 4.350 0.000 0.000 0.193 478 E C 0.014 176.636 176.600 0.037 0.000 0.953 478 E CA 0.692 57.103 56.400 0.019 0.000 0.849 478 E CB 0.189 29.893 29.700 0.008 0.000 0.810 478 E HN 0.512 nan 8.360 nan 0.000 0.470 479 N N -0.730 118.010 118.700 0.066 0.000 2.371 479 N HA 0.229 4.969 4.740 0.000 0.000 0.280 479 N C -2.096 173.494 175.510 0.134 0.000 1.084 479 N CA -0.479 52.621 53.050 0.084 0.000 0.892 479 N CB 1.217 39.739 38.487 0.059 0.000 1.653 479 N HN -0.144 nan 8.380 nan 0.000 0.480 480 F N 2.478 122.440 119.950 0.021 0.000 2.745 480 F HA 0.415 4.942 4.527 0.000 0.000 0.343 480 F C -0.981 174.811 175.800 -0.012 0.000 1.196 480 F CA -0.398 57.609 58.000 0.011 0.000 1.021 480 F CB 1.100 40.079 39.000 -0.034 0.000 1.297 480 F HN 0.236 nan 8.300 nan 0.000 0.486 481 Q N 6.578 126.433 119.800 0.091 0.000 2.333 481 Q HA 0.585 4.925 4.340 0.000 0.000 0.267 481 Q C -1.044 175.018 176.000 0.103 0.000 1.012 481 Q CA -0.738 55.107 55.803 0.072 0.000 0.824 481 Q CB 3.035 31.729 28.738 -0.075 0.000 1.290 481 Q HN 0.658 nan 8.270 nan 0.000 0.449 482 L N 0.738 121.970 121.223 0.015 0.000 2.322 482 L HA 0.714 5.054 4.340 0.000 0.000 0.281 482 L C -0.248 176.658 176.870 0.061 0.000 1.014 482 L CA -1.240 53.546 54.840 -0.089 0.000 0.815 482 L CB 1.405 43.152 42.059 -0.521 0.000 1.247 482 L HN 0.137 nan 8.230 nan 0.000 0.421 483 V N 3.823 123.884 119.914 0.246 0.000 2.380 483 V HA 0.360 4.480 4.120 0.000 0.000 0.286 483 V C 0.170 176.487 176.094 0.372 0.000 1.015 483 V CA -0.532 61.933 62.300 0.275 0.000 0.834 483 V CB 1.883 33.861 31.823 0.257 0.000 1.009 483 V HN 0.547 nan 8.190 nan 0.000 0.428 484 V N 6.896 127.030 119.914 0.368 0.000 2.716 484 V HA 0.367 4.487 4.120 0.000 0.000 0.304 484 V C -1.023 175.336 176.094 0.442 0.000 1.053 484 V CA -1.572 60.962 62.300 0.390 0.000 0.984 484 V CB 1.853 33.925 31.823 0.415 0.000 1.021 484 V HN 0.578 nan 8.190 nan 0.000 0.467 485 P HA -0.134 nan 4.420 nan 0.000 0.215 485 P C 1.493 179.009 177.300 0.360 0.000 1.157 485 P CA 1.495 64.817 63.100 0.370 0.000 0.874 485 P CB 0.189 32.002 31.700 0.189 0.000 0.790 486 S N -0.822 115.045 115.700 0.278 0.000 2.507 486 S HA -0.066 4.404 4.470 0.000 0.000 0.235 486 S C 1.764 176.492 174.600 0.213 0.000 0.988 486 S CA 1.522 59.859 58.200 0.229 0.000 0.944 486 S CB -1.093 62.225 63.200 0.197 0.000 0.762 486 S HN 0.353 nan 8.310 nan 0.000 0.526 487 T N 0.395 115.088 114.554 0.232 0.000 2.857 487 T HA -0.053 4.297 4.350 0.000 0.000 0.266 487 T C 1.291 176.030 174.700 0.066 0.000 1.048 487 T CA 0.728 62.899 62.100 0.118 0.000 1.139 487 T CB -0.251 68.671 68.868 0.089 0.000 0.874 487 T HN 0.517 nan 8.240 nan 0.000 0.455 488 W N 2.300 123.672 121.300 0.119 0.000 2.352 488 W HA -0.033 4.627 4.660 0.000 0.000 0.322 488 W C 2.487 179.045 176.519 0.065 0.000 1.208 488 W CA 0.587 57.996 57.345 0.108 0.000 1.286 488 W CB -0.609 28.924 29.460 0.122 0.000 1.167 488 W HN 0.127 nan 8.180 nan 0.000 0.469 489 N N 0.176 119.060 118.700 0.307 0.000 2.069 489 N HA -0.126 4.614 4.740 0.000 0.000 0.191 489 N C 1.396 176.861 175.510 -0.075 0.000 1.031 489 N CA 1.458 54.562 53.050 0.090 0.000 0.852 489 N CB -0.871 37.694 38.487 0.130 0.000 1.018 489 N HN 0.157 nan 8.380 nan 0.000 0.423 490 L N 0.039 121.259 121.223 -0.005 0.000 2.769 490 L HA 0.334 4.674 4.340 0.000 0.000 0.240 490 L C 1.170 178.050 176.870 0.016 0.000 1.163 490 L CA -0.379 54.450 54.840 -0.019 0.000 0.962 490 L CB 0.422 42.494 42.059 0.022 0.000 1.258 490 L HN -0.024 nan 8.230 nan 0.000 0.513 491 G N 0.383 109.191 108.800 0.012 0.000 2.599 491 G HA2 0.383 4.343 3.960 0.000 0.000 0.264 491 G HA3 0.383 4.343 3.960 0.000 0.000 0.264 491 G C -2.390 172.485 174.900 -0.041 0.000 1.200 491 G CA -0.767 44.322 45.100 -0.019 0.000 0.896 491 G HN -0.128 nan 8.290 nan 0.000 0.536 492 P HA 0.231 nan 4.420 nan 0.000 0.302 492 P C -0.125 177.121 177.300 -0.091 0.000 1.301 492 P CA -0.607 62.355 63.100 -0.231 0.000 0.745 492 P CB 0.902 32.098 31.700 -0.840 0.000 1.331 493 R N -1.147 119.319 120.500 -0.057 0.000 2.637 493 R HA 0.262 4.602 4.340 0.000 0.000 0.269 493 R C 0.550 176.885 176.300 0.058 0.000 1.089 493 R CA -0.247 55.818 56.100 -0.057 0.000 1.177 493 R CB -0.279 29.881 30.300 -0.234 0.000 1.091 493 R HN 0.619 nan 8.270 nan 0.000 0.540 494 C N -1.142 118.149 119.300 -0.014 0.000 2.534 494 C HA 0.674 5.134 4.460 0.000 0.000 0.398 494 C C 1.888 176.910 174.990 0.054 0.000 1.609 494 C CA -0.249 58.671 59.018 -0.164 0.000 1.916 494 C CB 0.382 27.746 27.740 -0.626 0.000 1.954 494 C HN 0.857 nan 8.230 nan 0.000 0.508 495 A N -0.563 122.219 122.820 -0.063 0.000 1.969 495 A HA -0.058 4.262 4.320 0.000 0.000 0.218 495 A C 1.843 179.473 177.584 0.076 0.000 1.169 495 A CA 1.812 53.899 52.037 0.084 0.000 0.635 495 A CB -0.832 18.286 19.000 0.198 0.000 0.810 495 A HN 0.944 nan 8.150 nan 0.000 0.445 496 E N -1.003 119.190 120.200 -0.011 0.000 2.463 496 E HA 0.288 4.638 4.350 0.000 0.000 0.191 496 E C 1.080 177.699 176.600 0.031 0.000 1.083 496 E CA 0.575 56.984 56.400 0.016 0.000 0.872 496 E CB -0.418 29.276 29.700 -0.011 0.000 0.966 496 E HN 0.666 nan 8.360 nan 0.000 0.491 497 G N 1.576 110.425 108.800 0.083 0.000 2.203 497 G HA2 -0.365 3.595 3.960 0.000 0.000 0.263 497 G HA3 -0.365 3.595 3.960 0.000 0.000 0.263 497 G C -0.161 174.709 174.900 -0.050 0.000 1.012 497 G CA 0.523 45.646 45.100 0.039 0.000 0.749 497 G HN 0.230 nan 8.290 nan 0.000 0.512 498 K N -0.460 119.908 120.400 -0.053 0.000 2.218 498 K HA 0.517 4.837 4.320 0.000 0.000 0.276 498 K C 0.303 176.855 176.600 -0.079 0.000 1.022 498 K CA -0.825 55.425 56.287 -0.061 0.000 0.946 498 K CB 1.445 33.924 32.500 -0.035 0.000 1.000 498 K HN 0.067 nan 8.250 nan 0.000 0.468 499 L N 2.211 123.379 121.223 -0.092 0.000 2.380 499 L HA -0.001 4.339 4.340 0.000 0.000 0.273 499 L C 0.792 177.623 176.870 -0.065 0.000 1.138 499 L CA 0.543 55.319 54.840 -0.106 0.000 0.832 499 L CB 0.986 42.962 42.059 -0.138 0.000 1.124 499 L HN 0.792 nan 8.230 nan 0.000 0.454 500 S N 2.469 118.137 115.700 -0.054 0.000 2.608 500 S HA 0.361 4.831 4.470 0.000 0.000 0.261 500 S C 1.344 175.913 174.600 -0.051 0.000 1.314 500 S CA -0.167 58.018 58.200 -0.026 0.000 0.992 500 S CB 0.904 64.090 63.200 -0.024 0.000 0.935 500 S HN 0.732 nan 8.310 nan 0.000 0.564 501 A N 0.682 123.480 122.820 -0.038 0.000 1.940 501 A HA -0.050 4.270 4.320 0.000 0.000 0.219 501 A C 2.230 179.712 177.584 -0.170 0.000 1.176 501 A CA 1.764 53.772 52.037 -0.049 0.000 0.631 501 A CB -1.272 17.759 19.000 0.053 0.000 0.814 501 A HN 0.991 nan 8.150 nan 0.000 0.446 502 V N -0.106 119.586 119.914 -0.371 0.000 2.379 502 V HA -0.222 3.898 4.120 0.000 0.000 0.245 502 V C 2.265 178.282 176.094 -0.128 0.000 1.044 502 V CA 2.585 64.645 62.300 -0.400 0.000 1.036 502 V CB -0.555 31.011 31.823 -0.429 0.000 0.664 502 V HN 0.731 nan 8.190 nan 0.000 0.453 503 E N -0.511 119.620 120.200 -0.115 0.000 2.058 503 E HA -0.328 4.022 4.350 0.000 0.000 0.194 503 E C 2.220 178.761 176.600 -0.099 0.000 0.997 503 E CA 1.775 58.105 56.400 -0.117 0.000 0.801 503 E CB -0.196 29.409 29.700 -0.157 0.000 0.746 503 E HN 0.564 nan 8.360 nan 0.000 0.450 504 Q N 0.595 120.350 119.800 -0.075 0.000 2.119 504 Q HA -0.061 4.279 4.340 0.000 0.000 0.201 504 Q C 1.893 177.902 176.000 0.015 0.000 0.972 504 Q CA 1.663 57.439 55.803 -0.045 0.000 0.847 504 Q CB -0.308 28.404 28.738 -0.043 0.000 0.903 504 Q HN 0.256 nan 8.270 nan 0.000 0.433 505 A N -0.062 122.802 122.820 0.073 0.000 2.019 505 A HA -0.097 4.223 4.320 0.000 0.000 0.219 505 A C 2.029 179.691 177.584 0.131 0.000 1.164 505 A CA 1.068 53.204 52.037 0.165 0.000 0.644 505 A CB -0.586 18.616 19.000 0.336 0.000 0.805 505 A HN 0.455 nan 8.150 nan 0.000 0.449 506 L N -0.622 120.646 121.223 0.076 0.000 2.072 506 L HA -0.043 4.297 4.340 0.000 0.000 0.205 506 L C 0.205 177.094 176.870 0.033 0.000 1.079 506 L CA 0.046 54.926 54.840 0.066 0.000 0.752 506 L CB -0.474 41.602 42.059 0.028 0.000 0.906 506 L HN 0.229 nan 8.230 nan 0.000 0.436 507 I N 0.675 121.240 120.570 -0.009 0.000 2.821 507 I HA -0.008 4.162 4.170 0.000 0.000 0.294 507 I C 1.365 177.478 176.117 -0.007 0.000 1.210 507 I CA 1.310 62.593 61.300 -0.029 0.000 1.430 507 I CB 0.029 37.995 38.000 -0.056 0.000 1.356 507 I HN 0.351 nan 8.210 nan 0.000 0.563 508 G N 3.603 112.396 108.800 -0.012 0.000 2.268 508 G HA2 -0.261 3.699 3.960 0.000 0.000 0.240 508 G HA3 -0.261 3.699 3.960 0.000 0.000 0.240 508 G C 0.581 175.469 174.900 -0.021 0.000 1.010 508 G CA 0.119 45.209 45.100 -0.016 0.000 0.618 508 G HN 0.680 nan 8.290 nan 0.000 0.516 509 T N 4.690 119.245 114.554 0.001 0.000 2.908 509 T HA 0.436 4.786 4.350 0.000 0.000 0.301 509 T C -1.911 172.789 174.700 0.000 0.000 1.019 509 T CA 0.469 62.568 62.100 -0.001 0.000 1.152 509 T CB 1.589 70.513 68.868 0.094 0.000 0.966 509 T HN 0.392 nan 8.240 nan 0.000 0.540 510 P HA 0.381 nan 4.420 nan 0.000 0.285 510 P C -0.807 176.528 177.300 0.058 0.000 1.259 510 P CA -0.510 62.588 63.100 -0.003 0.000 0.794 510 P CB 0.798 32.472 31.700 -0.044 0.000 0.940 511 I N 2.423 123.032 120.570 0.064 0.000 2.382 511 I HA 0.254 4.424 4.170 0.000 0.000 0.285 511 I C 1.365 177.529 176.117 0.079 0.000 1.007 511 I CA -0.852 60.501 61.300 0.088 0.000 1.142 511 I CB 1.270 39.311 38.000 0.068 0.000 1.289 511 I HN 0.350 nan 8.210 nan 0.000 0.453 512 A N 5.076 127.966 122.820 0.117 0.000 1.825 512 A HA -0.116 4.204 4.320 0.000 0.000 0.214 512 A C 0.744 178.341 177.584 0.021 0.000 1.206 512 A CA 1.415 53.505 52.037 0.088 0.000 0.609 512 A CB -0.143 18.949 19.000 0.153 0.000 0.851 512 A HN 0.709 nan 8.150 nan 0.000 0.445 513 D N -1.526 118.874 120.400 0.000 0.000 2.441 513 D HA 0.454 5.094 4.640 0.000 0.000 0.231 513 D C -2.313 173.977 176.300 -0.016 0.000 1.073 513 D CA -2.256 51.710 54.000 -0.057 0.000 0.850 513 D CB 1.501 42.190 40.800 -0.185 0.000 1.062 513 D HN -0.063 nan 8.370 nan 0.000 0.524 514 P HA -0.039 nan 4.420 nan 0.000 0.226 514 P C 0.681 177.965 177.300 -0.028 0.000 1.153 514 P CA 0.686 63.782 63.100 -0.006 0.000 0.777 514 P CB 0.457 32.161 31.700 0.007 0.000 0.794 515 K N -0.817 119.556 120.400 -0.044 0.000 2.418 515 K HA 0.094 4.414 4.320 0.000 0.000 0.195 515 K C 0.540 177.066 176.600 -0.123 0.000 1.035 515 K CA 0.558 56.818 56.287 -0.046 0.000 1.003 515 K CB 0.164 32.647 32.500 -0.028 0.000 0.793 515 K HN 0.093 nan 8.250 nan 0.000 0.494 516 R N 0.599 120.964 120.500 -0.226 0.000 2.754 516 R HA 0.144 4.484 4.340 0.000 0.000 0.255 516 R C -2.642 173.340 176.300 -0.530 0.000 1.723 516 R CA -0.967 54.737 56.100 -0.659 0.000 1.596 516 R CB 1.395 31.524 30.300 -0.286 0.000 1.424 516 R HN -0.091 nan 8.270 nan 0.000 0.662 517 P HA 0.046 nan 4.420 nan 0.000 0.219 517 P C 0.697 177.982 177.300 -0.025 0.000 1.847 517 P CA -0.085 62.946 63.100 -0.114 0.000 1.059 517 P CB 1.118 32.808 31.700 -0.016 0.000 1.900 518 V N 2.794 122.678 119.914 -0.050 0.000 2.759 518 V HA -0.210 3.910 4.120 0.000 0.000 0.256 518 V C 1.818 177.882 176.094 -0.051 0.000 1.080 518 V CA 1.941 64.265 62.300 0.040 0.000 1.101 518 V CB -0.675 31.108 31.823 -0.068 0.000 0.698 518 V HN 0.221 nan 8.190 nan 0.000 0.477 519 E N 0.171 120.397 120.200 0.043 0.000 2.204 519 E HA -0.127 4.223 4.350 0.000 0.000 0.194 519 E C 1.910 178.626 176.600 0.193 0.000 0.989 519 E CA 1.408 57.926 56.400 0.197 0.000 0.824 519 E CB -0.228 29.707 29.700 0.391 0.000 0.756 519 E HN 0.636 nan 8.360 nan 0.000 0.477 520 I N -0.009 120.642 120.570 0.134 0.000 2.353 520 I HA -0.202 3.968 4.170 0.000 0.000 0.248 520 I C 1.645 177.815 176.117 0.088 0.000 1.119 520 I CA 0.539 61.914 61.300 0.126 0.000 1.417 520 I CB -0.030 38.035 38.000 0.108 0.000 1.078 520 I HN 0.112 nan 8.210 nan 0.000 0.421 521 L N 0.440 121.701 121.223 0.063 0.000 2.083 521 L HA -0.155 4.185 4.340 0.000 0.000 0.209 521 L C 2.573 179.500 176.870 0.095 0.000 1.083 521 L CA 1.710 56.565 54.840 0.025 0.000 0.752 521 L CB -0.618 41.531 42.059 0.149 0.000 0.899 521 L HN 0.071 nan 8.230 nan 0.000 0.433 522 R N -1.513 118.960 120.500 -0.045 0.000 2.081 522 R HA -0.126 4.214 4.340 0.000 0.000 0.235 522 R C 2.182 178.612 176.300 0.216 0.000 1.131 522 R CA 1.847 57.881 56.100 -0.111 0.000 0.960 522 R CB -0.622 29.130 30.300 -0.914 0.000 0.856 522 R HN 0.317 nan 8.270 nan 0.000 0.436 523 T N 0.297 114.985 114.554 0.223 0.000 2.732 523 T HA -0.071 4.279 4.350 0.000 0.000 0.261 523 T C 1.950 176.841 174.700 0.318 0.000 1.040 523 T CA 1.239 63.535 62.100 0.327 0.000 1.145 523 T CB -0.137 68.938 68.868 0.345 0.000 0.866 523 T HN -0.036 nan 8.240 nan 0.000 0.427 524 V N 1.130 121.161 119.914 0.196 0.000 2.287 524 V HA -0.232 3.888 4.120 0.000 0.000 0.248 524 V C 2.165 178.352 176.094 0.155 0.000 1.053 524 V CA 1.895 64.274 62.300 0.132 0.000 1.027 524 V CB -0.715 31.088 31.823 -0.034 0.000 0.646 524 V HN 0.640 nan 8.190 nan 0.000 0.447 525 H N 0.130 119.288 119.070 0.148 0.000 2.457 525 H HA -0.101 4.455 4.556 0.000 0.000 0.294 525 H C 2.431 177.722 175.328 -0.061 0.000 1.064 525 H CA 1.238 57.316 56.048 0.049 0.000 1.330 525 H CB 0.005 29.733 29.762 -0.056 0.000 1.395 525 H HN 0.600 nan 8.280 nan 0.000 0.541 526 S N -0.034 115.733 115.700 0.112 0.000 2.442 526 S HA -0.203 4.267 4.470 0.000 0.000 0.236 526 S C 1.477 176.033 174.600 -0.074 0.000 1.007 526 S CA 0.924 59.148 58.200 0.039 0.000 0.965 526 S CB -0.412 62.876 63.200 0.147 0.000 0.773 526 S HN 0.440 nan 8.310 nan 0.000 0.504 527 Y N 1.591 121.929 120.300 0.062 0.000 2.546 527 Y HA 0.196 4.746 4.550 0.000 0.000 0.287 527 Y C 0.742 176.632 175.900 -0.016 0.000 1.158 527 Y CA 0.165 58.291 58.100 0.043 0.000 1.307 527 Y CB -0.164 38.343 38.460 0.077 0.000 1.036 527 Y HN 0.211 nan 8.280 nan 0.000 0.532 528 D N 0.183 120.611 120.400 0.048 0.000 2.737 528 D HA -0.147 4.493 4.640 0.000 0.000 0.238 528 D C -2.703 173.665 176.300 0.113 0.000 1.157 528 D CA -0.091 53.873 54.000 -0.060 0.000 0.694 528 D CB -0.306 40.261 40.800 -0.388 0.000 1.021 528 D HN 0.131 nan 8.370 nan 0.000 0.420 529 P HA 0.080 nan 4.420 nan 0.000 0.267 529 P C -0.093 177.296 177.300 0.148 0.000 1.200 529 P CA -0.393 62.801 63.100 0.157 0.000 0.772 529 P CB 1.005 32.785 31.700 0.132 0.000 0.855 530 C N 4.934 124.323 119.300 0.148 0.000 2.654 530 C HA 0.292 4.752 4.460 0.000 0.000 0.315 530 C C 1.353 176.436 174.990 0.155 0.000 1.054 530 C CA -0.386 58.721 59.018 0.149 0.000 1.419 530 C CB -1.357 26.481 27.740 0.164 0.000 1.889 530 C HN 0.442 nan 8.230 nan 0.000 0.447 531 I N 3.586 124.237 120.570 0.135 0.000 2.439 531 I HA 0.018 4.188 4.170 0.000 0.000 0.251 531 I C 2.535 178.743 176.117 0.151 0.000 1.139 531 I CA 1.746 63.135 61.300 0.148 0.000 1.438 531 I CB -0.995 37.096 38.000 0.151 0.000 1.085 531 I HN 0.730 nan 8.210 nan 0.000 0.427 532 A N -0.499 122.402 122.820 0.136 0.000 1.902 532 A HA -0.222 4.098 4.320 0.000 0.000 0.217 532 A C 2.523 180.199 177.584 0.154 0.000 1.181 532 A CA 1.916 54.027 52.037 0.124 0.000 0.623 532 A CB -1.271 17.794 19.000 0.108 0.000 0.818 532 A HN 0.488 nan 8.150 nan 0.000 0.443 533 C N -1.257 118.167 119.300 0.206 0.000 2.476 533 C HA 0.088 4.548 4.460 0.000 0.000 0.278 533 C C 3.029 178.241 174.990 0.371 0.000 1.274 533 C CA 0.619 59.817 59.018 0.301 0.000 1.713 533 C CB -1.479 26.462 27.740 0.334 0.000 2.039 533 C HN 0.696 nan 8.230 nan 0.000 0.484 534 G N -0.190 108.766 108.800 0.259 0.000 2.432 534 G HA2 -0.114 3.846 3.960 0.000 0.000 0.219 534 G HA3 -0.114 3.846 3.960 0.000 0.000 0.219 534 G C 1.511 176.458 174.900 0.079 0.000 1.135 534 G CA 1.586 46.819 45.100 0.221 0.000 0.767 534 G HN 0.442 nan 8.290 nan 0.000 0.550 535 V N 0.889 120.794 119.914 -0.014 0.000 2.922 535 V HA 0.149 4.269 4.120 0.000 0.000 0.242 535 V C 1.091 176.797 176.094 -0.646 0.000 1.094 535 V CA 0.543 62.725 62.300 -0.196 0.000 1.106 535 V CB -0.649 31.243 31.823 0.116 0.000 0.799 535 V HN 0.731 nan 8.190 nan 0.000 0.474 536 H N 0.000 119.083 119.070 0.022 0.000 2.539 536 H HA 0.000 4.556 4.556 0.000 0.000 0.296 536 H CA 0.000 55.992 56.048 -0.094 0.000 1.023 536 H CB 0.000 29.712 29.762 -0.083 0.000 1.292 536 H HN 0.000 nan 8.280 nan 0.000 0.496