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_J 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 0.895 121.309 120.400 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 -0.010 0.000 1.077 8 K HN 0.371 nan 8.250 nan 0.000 0.440 9 I N 2.777 123.385 120.570 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 1.995 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 -1.012 175.148 176.094 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 4.739 4.120 -0.000 0.000 0.281 11 V C -0.762 175.410 176.094 0.129 0.000 1.015 11 V CA -0.231 62.148 62.300 0.131 0.000 0.823 11 V CB 1.157 33.063 31.823 0.139 0.000 1.009 11 V HN 0.986 nan 8.190 nan 0.000 0.436 12 D N 5.581 126.063 120.400 0.136 0.000 2.613 12 D HA 0.440 5.080 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 -0.659 53.429 54.000 0.148 0.000 0.976 12 D CB 2.826 43.733 40.800 0.178 0.000 1.415 12 D HN 0.437 nan 8.370 nan 0.000 0.589 13 P HA 0.417 nan 4.420 nan 0.000 0.276 13 P C -0.074 177.287 177.300 0.102 0.000 1.244 13 P CA -0.613 62.565 63.100 0.130 0.000 0.801 13 P CB 1.274 33.052 31.700 0.130 0.000 1.006 14 I N 2.070 122.696 120.570 0.094 0.000 2.416 14 I HA 0.087 4.256 4.170 -0.000 0.000 0.288 14 I C 1.227 177.386 176.117 0.069 0.000 1.051 14 I CA 0.059 61.396 61.300 0.062 0.000 1.375 14 I CB 1.081 39.097 38.000 0.028 0.000 1.407 14 I HN 0.540 nan 8.210 nan 0.000 0.516 15 T N 3.262 117.865 114.554 0.081 0.000 2.897 15 T HA 0.454 4.803 4.350 -0.000 0.000 0.278 15 T C 0.666 175.488 174.700 0.204 0.000 0.981 15 T CA -0.785 61.368 62.100 0.089 0.000 0.973 15 T CB 1.106 69.990 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 -0.028 176.437 176.300 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 -4.840 115.864 120.570 0.223 0.000 3.343 17 I HA 0.575 4.745 4.170 -0.000 0.000 0.315 17 I C -0.515 175.668 176.117 0.110 0.000 1.153 17 I CA -1.146 60.275 61.300 0.201 0.000 0.952 17 I CB 2.115 40.213 38.000 0.163 0.000 1.287 17 I HN -0.224 nan 8.210 nan 0.000 0.472 18 E N 1.561 121.819 120.200 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 0.572 57.005 56.400 0.056 0.000 0.789 18 E CB 1.353 31.108 29.700 0.091 0.000 1.098 18 E HN 1.075 nan 8.360 nan 0.000 0.397 19 G N 4.044 112.784 108.800 -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 -0.851 173.846 174.900 -0.338 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 -0.123 175.303 175.328 0.163 0.000 1.089 20 H CA -0.203 55.930 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 0.516 nan 8.280 nan 0.000 0.463 21 L N 3.491 124.835 121.223 0.202 0.000 2.362 21 L HA 0.450 4.790 4.340 -0.000 0.000 0.271 21 L C -0.369 176.599 176.870 0.164 0.000 1.002 21 L CA -0.711 54.234 54.840 0.175 0.000 0.818 21 L CB 1.954 44.085 42.059 0.120 0.000 1.298 21 L HN 0.550 nan 8.230 nan 0.000 0.420 22 R N 5.539 126.129 120.500 0.150 0.000 2.561 22 R HA 0.641 4.981 4.340 -0.000 0.000 0.297 22 R C -1.822 174.542 176.300 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 0.649 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 5.651 125.956 120.200 0.174 0.000 2.210 24 E HA 0.595 4.945 4.350 -0.000 0.000 0.266 24 E C -0.941 175.867 176.600 0.346 0.000 0.883 24 E CA -0.693 55.818 56.400 0.185 0.000 0.761 24 E CB 3.122 32.866 29.700 0.073 0.000 1.156 24 E HN 0.454 nan 8.360 nan 0.000 0.412 25 V N -0.504 119.566 119.914 0.261 0.000 3.040 25 V HA 0.549 4.669 4.120 -0.000 0.000 0.312 25 V C -0.683 175.558 176.094 0.246 0.000 1.115 25 V CA -0.915 61.550 62.300 0.273 0.000 0.998 25 V CB 2.139 34.045 31.823 0.139 0.000 1.042 25 V HN 0.634 nan 8.190 nan 0.000 0.433 26 E N 1.644 121.994 120.200 0.250 0.000 2.133 26 E HA 0.645 4.995 4.350 -0.000 0.000 0.274 26 E C -1.140 175.511 176.600 0.084 0.000 0.930 26 E CA -0.581 55.922 56.400 0.170 0.000 0.770 26 E CB 2.172 31.986 29.700 0.190 0.000 1.104 26 E HN 0.695 nan 8.360 nan 0.000 0.403 27 V N 2.843 122.794 119.914 0.063 0.000 2.732 27 V HA 0.441 4.561 4.120 -0.000 0.000 0.310 27 V C -0.280 175.832 176.094 0.029 0.000 1.053 27 V CA -0.571 61.754 62.300 0.040 0.000 0.957 27 V CB 1.668 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 1.855 122.067 120.200 0.019 0.000 2.428 28 E HA 0.492 4.842 4.350 -0.000 0.000 0.307 28 E C 0.042 176.647 176.600 0.008 0.000 0.902 28 E CA -0.151 56.256 56.400 0.013 0.000 0.799 28 E CB 0.921 30.627 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 -0.083 3.877 3.960 -0.000 0.000 0.265 29 G HA3 -0.083 3.877 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 1.967 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 0.239 175.149 174.900 0.017 0.000 0.983 30 G CA 1.360 46.470 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 0.515 177.122 176.600 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 0.153 nan 8.250 nan 0.000 0.427 32 I N 3.563 124.143 120.570 0.016 0.000 2.668 32 I HA -0.108 4.062 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 0.535 61.843 61.300 0.014 0.000 1.424 32 I CB 0.378 38.391 38.000 0.022 0.000 1.377 32 I HN 0.644 nan 8.210 nan 0.000 0.560 33 K N 4.638 125.028 120.400 -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 0.301 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 -0.409 118.209 118.700 -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 0.793 123.087 122.820 -0.877 0.000 2.604 35 A HA 0.718 5.038 4.320 -0.000 0.000 0.295 35 A C -2.033 175.058 177.584 -0.822 0.000 1.067 35 A CA -0.700 51.001 52.037 -0.560 0.000 0.683 35 A CB 1.380 20.247 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 -0.091 0.000 1.064 36 W CA -0.576 56.584 57.345 -0.308 0.000 1.237 36 W CB 2.356 31.485 29.460 -0.551 0.000 1.391 36 W HN 0.741 nan 8.180 nan 0.000 0.468 37 S N 4.401 120.256 115.700 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 0.245 0.000 1.079 37 S CA -0.435 57.883 58.200 0.196 0.000 1.104 37 S CB -0.034 63.235 63.200 0.115 0.000 0.969 37 S HN 0.423 nan 8.310 nan 0.000 0.471 38 M N 4.306 124.001 119.600 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 34.159 32.600 -0.066 0.000 1.474 38 M HN 0.405 nan 8.290 nan 0.000 0.419 39 S N 1.481 117.293 115.700 0.187 0.000 2.465 39 S HA 0.241 4.711 4.470 -0.000 0.000 0.279 39 S C 1.065 175.980 174.600 0.524 0.000 1.201 39 S CA -0.645 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 -0.082 174.895 174.700 0.462 0.000 1.021 40 T CA -0.308 62.163 62.100 0.617 0.000 0.905 40 T CB -0.463 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 0.724 122.158 121.223 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 -1.400 53.480 54.840 0.066 0.000 0.820 41 L CB 2.114 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 4.454 124.062 119.950 -0.570 0.000 2.507 42 F HA 0.615 5.142 4.527 -0.000 0.000 0.325 42 F C 0.502 176.077 175.800 -0.374 0.000 1.116 42 F CA -0.317 57.307 58.000 -0.627 0.000 0.930 42 F CB 1.828 40.001 39.000 -1.377 0.000 1.146 42 F HN 0.644 nan 8.300 nan 0.000 0.447 43 R N 2.755 122.716 120.500 -0.898 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 -0.834 0.000 0.949 43 R CA 0.379 56.108 56.100 -0.618 0.000 1.088 43 R CB 0.462 30.569 30.300 -0.322 0.000 1.106 43 R HN 0.964 nan 8.270 nan 0.000 0.566 44 G N 1.792 109.798 108.800 -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 -0.026 121.091 121.223 -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 -0.457 41.558 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 1.234 57.659 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 0.122 119.751 119.600 0.048 0.000 2.229 47 M HA -0.079 4.401 4.480 -0.000 0.000 0.264 47 M C 2.145 178.435 176.300 -0.017 0.000 1.063 47 M CA 1.199 56.528 55.300 0.049 0.000 1.114 47 M CB -0.084 32.581 32.600 0.109 0.000 1.387 47 M HN 0.107 nan 8.290 nan 0.000 0.420 48 I N -0.290 120.242 120.570 -0.064 0.000 2.500 48 I HA -0.214 3.956 4.170 -0.000 0.000 0.252 48 I C 2.114 178.069 176.117 -0.270 0.000 1.142 48 I CA 0.585 61.809 61.300 -0.126 0.000 1.451 48 I CB -0.134 37.816 38.000 -0.084 0.000 1.093 48 I HN 0.221 nan 8.210 nan 0.000 0.430 49 L N 0.638 121.691 121.223 -0.284 0.000 2.056 49 L HA -0.043 4.297 4.340 -0.000 0.000 0.207 49 L C 1.284 178.042 176.870 -0.187 0.000 1.078 49 L CA 1.324 55.955 54.840 -0.348 0.000 0.749 49 L CB -0.760 41.116 42.059 -0.305 0.000 0.901 49 L HN 0.015 nan 8.230 nan 0.000 0.433 50 K N 0.736 121.082 120.400 -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 -0.607 31.882 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 3.635 3.960 -0.000 0.000 0.263 51 G HA3 -0.324 3.635 3.960 -0.000 0.000 0.263 51 G C 0.398 175.267 174.900 -0.052 0.000 0.977 51 G CA 0.609 45.686 45.100 -0.038 0.000 0.659 51 G HN 0.620 nan 8.290 nan 0.000 0.533 52 R N -0.051 120.401 120.500 -0.081 0.000 2.531 52 R HA 0.387 4.727 4.340 -0.000 0.000 0.260 52 R C -0.300 175.982 176.300 -0.030 0.000 1.144 52 R CA -0.624 55.423 56.100 -0.088 0.000 1.171 52 R CB 0.301 30.468 30.300 -0.221 0.000 1.199 52 R HN 0.176 nan 8.270 nan 0.000 0.594 53 D N 1.114 121.522 120.400 0.013 0.000 2.343 53 D HA 0.068 4.708 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 -1.991 52.060 54.000 0.084 0.000 0.875 53 D CB 1.340 42.219 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 1.087 178.527 177.300 0.233 0.000 1.146 54 P CA 1.031 64.274 63.100 0.238 0.000 0.813 54 P CB 0.228 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 1.018 57.273 56.100 0.258 0.000 0.995 55 R CB -0.396 30.110 30.300 0.342 0.000 0.875 55 R HN 0.253 nan 8.270 nan 0.000 0.462 56 D N 0.208 120.747 120.400 0.232 0.000 2.240 56 D HA 0.039 4.679 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 40.828 40.800 0.309 0.000 0.973 56 D HN 0.104 nan 8.370 nan 0.000 0.501 57 A N 1.903 124.763 122.820 0.066 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 2.968 54.928 52.037 -0.127 0.000 0.658 57 A CB -1.201 17.662 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 -0.275 4.065 4.340 -0.000 0.000 0.206 58 Q C 1.829 177.695 176.000 -0.222 0.000 0.985 58 Q CA 1.940 57.629 55.803 -0.189 0.000 0.863 58 Q CB -0.668 27.898 28.738 -0.287 0.000 0.904 58 Q HN 0.817 nan 8.270 nan 0.000 0.422 59 H N -0.895 118.194 119.070 0.032 0.000 2.436 59 H HA 0.005 4.561 4.556 -0.000 0.000 0.294 59 H C 1.622 176.849 175.328 -0.167 0.000 1.048 59 H CA 1.124 57.131 56.048 -0.068 0.000 1.353 59 H CB -0.146 29.564 29.762 -0.087 0.000 1.414 59 H HN 0.305 nan 8.280 nan 0.000 0.536 60 F N 1.351 121.275 119.950 -0.043 0.000 2.098 60 F HA -0.168 4.359 4.527 -0.000 0.000 0.294 60 F C 2.925 178.619 175.800 -0.176 0.000 1.107 60 F CA 1.744 59.673 58.000 -0.117 0.000 1.234 60 F CB -0.704 38.200 39.000 -0.160 0.000 1.002 60 F HN 0.174 nan 8.300 nan 0.000 0.472 61 T N -2.124 112.417 114.554 -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 1.390 63.426 62.100 -0.107 0.000 1.139 61 T CB -0.717 68.112 68.868 -0.066 0.000 0.867 61 T HN 0.332 nan 8.240 nan 0.000 0.454 62 Q N 0.540 120.321 119.800 -0.032 0.000 2.197 62 Q HA -0.126 4.214 4.340 -0.000 0.000 0.207 62 Q C 1.822 177.745 176.000 -0.128 0.000 0.984 62 Q CA 1.167 56.959 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 0.307 nan 8.270 nan 0.000 0.426 63 R N -0.547 119.819 120.500 -0.224 0.000 2.328 63 R HA 0.101 4.440 4.340 -0.000 0.000 0.200 63 R C 1.393 177.655 176.300 -0.062 0.000 0.983 63 R CA 0.660 56.655 56.100 -0.175 0.000 1.062 63 R CB -0.506 29.684 30.300 -0.183 0.000 0.956 63 R HN 0.283 nan 8.270 nan 0.000 0.479 64 A N -0.957 121.776 122.820 -0.145 0.000 2.067 64 A HA -0.023 4.297 4.320 -0.000 0.000 0.219 64 A C 0.664 178.240 177.584 -0.014 0.000 1.158 64 A CA 0.841 52.779 52.037 -0.165 0.000 0.661 64 A CB 0.047 18.754 19.000 -0.489 0.000 0.801 64 A HN 0.365 nan 8.150 nan 0.000 0.452 65 C N -3.067 116.285 119.300 0.086 0.000 3.046 65 C HA 0.552 5.012 4.460 -0.000 0.000 0.388 65 C C 1.198 176.370 174.990 0.304 0.000 1.041 65 C CA -0.216 58.921 59.018 0.200 0.000 1.241 65 C CB 0.901 28.784 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 0.214 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 0.908 175.829 174.900 0.034 0.000 1.159 66 G CA 0.971 46.098 45.100 0.045 0.000 0.760 66 G HN 0.695 nan 8.290 nan 0.000 0.550 67 V N 0.904 120.883 119.914 0.108 0.000 2.341 67 V HA -0.043 4.076 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 1.396 63.771 62.300 0.125 0.000 1.033 67 V CB -0.222 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 0.957 120.359 119.300 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 58.132 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 0.388 nan 8.230 nan 0.000 0.618 69 T N 0.451 115.145 114.554 0.234 0.000 2.926 69 T HA 0.280 4.630 4.350 -0.000 0.000 0.307 69 T C 0.383 175.306 174.700 0.373 0.000 1.059 69 T CA 1.551 63.836 62.100 0.309 0.000 1.122 69 T CB 0.199 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 2.382 122.819 120.300 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 3.345 61.550 58.100 0.175 0.000 2.687 70 Y CB -2.073 36.492 38.460 0.175 0.000 1.030 70 Y HN 0.525 nan 8.280 nan 0.000 0.559 71 V N 0.055 119.827 119.914 -0.236 0.000 2.370 71 V HA -0.327 3.792 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 -0.252 0.000 0.656 71 V HN 0.739 nan 8.190 nan 0.000 0.455 72 H N 0.442 119.421 119.070 -0.152 0.000 2.436 72 H HA 0.246 4.801 4.556 -0.000 0.000 0.294 72 H C 2.525 177.779 175.328 -0.122 0.000 1.048 72 H CA 1.470 57.474 56.048 -0.074 0.000 1.353 72 H CB -0.113 29.738 29.762 0.148 0.000 1.414 72 H HN 0.622 nan 8.280 nan 0.000 0.536 73 A N 1.664 124.456 122.820 -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 0.881 52.861 52.037 -0.094 0.000 0.620 73 A CB -0.900 18.103 19.000 0.004 0.000 0.822 73 A HN 0.294 nan 8.150 nan 0.000 0.443 74 L N -0.683 120.276 121.223 -0.440 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 1.771 56.332 54.840 -0.466 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 -1.450 121.065 122.820 -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 -1.094 0.000 0.810 75 A HN 0.492 nan 8.150 nan 0.000 0.446 76 S N -0.712 114.875 115.700 -0.188 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 1.545 59.850 58.200 0.176 0.000 0.982 76 S CB -0.554 62.807 63.200 0.268 0.000 0.853 76 S HN 0.855 nan 8.310 nan 0.000 0.458 77 V N 0.750 120.586 119.914 -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 30.949 31.823 -0.207 0.000 0.675 77 V HN 0.293 nan 8.190 nan 0.000 0.461 78 R N 0.851 121.197 120.500 -0.258 0.000 2.115 78 R HA 0.170 4.510 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 1.315 57.233 56.100 -0.303 0.000 0.980 78 R CB -0.552 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 4.259 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 1.063 52.936 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 0.276 120.101 119.914 -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 1.671 63.881 62.300 -0.151 0.000 1.073 80 V CB -0.728 31.031 31.823 -0.107 0.000 0.699 80 V HN 0.408 nan 8.190 nan 0.000 0.463 81 D N 0.873 121.094 120.400 -0.298 0.000 2.084 81 D HA -0.189 4.450 4.640 -0.000 0.000 0.194 81 D C 2.051 178.263 176.300 -0.146 0.000 0.990 81 D CA 1.842 55.666 54.000 -0.292 0.000 0.826 81 D CB -0.470 40.170 40.800 -0.267 0.000 0.971 81 D HN 0.441 nan 8.370 nan 0.000 0.453 82 N N 0.193 118.789 118.700 -0.172 0.000 2.104 82 N HA -0.165 4.574 4.740 -0.000 0.000 0.190 82 N C 1.865 177.383 175.510 0.013 0.000 1.024 82 N CA 1.719 54.711 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 0.338 nan 8.380 nan 0.000 0.424 83 C N -1.426 117.853 119.300 -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 0.803 120.734 119.914 0.028 0.000 3.528 84 V HA 0.401 4.521 4.120 -0.000 0.000 0.294 84 V C 1.919 178.054 176.094 0.068 0.000 1.404 84 V CA 1.149 63.484 62.300 0.059 0.000 1.065 84 V CB -0.079 31.693 31.823 -0.085 0.000 0.904 84 V HN 0.763 nan 8.190 nan 0.000 0.435 85 G N 0.942 109.787 108.800 0.075 0.000 2.203 85 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.263 85 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.263 85 G C 0.357 175.283 174.900 0.042 0.000 1.012 85 G CA 0.699 45.843 45.100 0.074 0.000 0.749 85 G HN 0.600 nan 8.290 nan 0.000 0.512 86 V N 0.020 119.967 119.914 0.056 0.000 2.686 86 V HA 0.541 4.661 4.120 -0.000 0.000 0.295 86 V C 0.416 176.559 176.094 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 7.711 128.121 120.400 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 33.511 32.500 -0.045 0.000 1.280 87 K HN 0.807 nan 8.250 nan 0.000 0.451 88 I N 1.024 121.584 120.570 -0.017 0.000 2.720 88 I HA 0.373 4.543 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 -1.895 59.369 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 0.391 177.679 177.300 -0.020 0.000 1.223 89 P CA -0.169 62.926 63.100 -0.009 0.000 0.784 89 P CB 0.629 32.338 31.700 0.016 0.000 0.923 90 E N 1.541 121.734 120.200 -0.013 0.000 2.097 90 E HA -0.318 4.032 4.350 -0.000 0.000 0.196 90 E C 1.171 177.745 176.600 -0.043 0.000 1.000 90 E CA 1.536 57.922 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 -0.087 118.593 118.700 -0.033 0.000 2.309 91 N HA -0.097 4.642 4.740 -0.000 0.000 0.182 91 N C 1.318 176.780 175.510 -0.081 0.000 1.018 91 N CA 1.133 54.150 53.050 -0.054 0.000 0.876 91 N CB -0.222 38.252 38.487 -0.021 0.000 0.972 91 N HN 0.260 nan 8.380 nan 0.000 0.434 92 A N -0.494 122.287 122.820 -0.065 0.000 2.016 92 A HA 0.013 4.333 4.320 -0.000 0.000 0.217 92 A C 2.281 179.802 177.584 -0.104 0.000 1.162 92 A CA 1.238 53.228 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 0.560 115.050 114.554 -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 1.442 63.460 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 0.359 nan 8.240 nan 0.000 0.426 94 L N 0.692 121.788 121.223 -0.211 0.000 2.012 94 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 94 L C 2.685 179.335 176.870 -0.367 0.000 1.073 94 L CA 1.597 56.263 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 -0.221 4.259 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 1.644 56.682 55.300 -0.436 0.000 1.105 95 M CB -0.006 32.406 32.600 -0.314 0.000 1.385 95 M HN 0.044 nan 8.290 nan 0.000 0.417 96 R N 0.046 120.496 120.500 -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 57.722 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 0.150 118.702 118.700 -0.248 0.000 2.207 97 N HA -0.048 4.692 4.740 -0.000 0.000 0.182 97 N C 1.590 176.885 175.510 -0.358 0.000 1.020 97 N CA 0.909 53.692 53.050 -0.445 0.000 0.858 97 N CB -0.044 37.781 38.487 -1.104 0.000 0.991 97 N HN 0.131 nan 8.380 nan 0.000 0.427 98 L N 0.348 121.380 121.223 -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 1.579 121.313 119.600 0.224 0.000 2.288 100 M HA 0.245 4.724 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 1.301 56.842 55.300 0.403 0.000 1.132 100 M CB -0.819 31.975 32.600 0.323 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 0.377 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 0.932 46.225 45.100 0.322 0.000 0.775 101 G HN 0.649 nan 8.290 nan 0.000 0.543 102 A N 0.204 123.218 122.820 0.324 0.000 1.978 102 A HA -0.105 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 -1.381 118.602 119.800 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 1.808 57.800 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 -0.169 120.225 120.300 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 1.204 59.306 58.100 0.003 0.000 1.144 104 Y CB -0.572 37.987 38.460 0.165 0.000 0.995 104 Y HN 0.136 nan 8.280 nan 0.000 0.513 105 M N -1.102 118.731 119.600 0.388 0.000 2.088 105 M HA -0.335 4.145 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 2.218 57.717 55.300 0.332 0.000 1.097 105 M CB -0.787 31.996 32.600 0.305 0.000 1.315 105 M HN 0.372 nan 8.290 nan 0.000 0.406 106 H N -0.062 119.103 119.070 0.157 0.000 2.276 106 H HA -0.175 4.381 4.556 -0.000 0.000 0.301 106 H C 1.751 177.143 175.328 0.106 0.000 1.073 106 H CA 2.003 58.118 56.048 0.113 0.000 1.311 106 H CB -0.256 29.561 29.762 0.091 0.000 1.379 106 H HN 0.302 nan 8.280 nan 0.000 0.494 107 D N -0.113 120.402 120.400 0.192 0.000 2.137 107 D HA -0.183 4.456 4.640 -0.000 0.000 0.189 107 D C 2.200 178.565 176.300 0.107 0.000 0.998 107 D CA 1.665 55.728 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 -0.214 118.926 119.070 0.117 0.000 2.319 108 H HA -0.094 4.462 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 0.619 56.740 56.048 0.123 0.000 1.285 108 H CB 0.022 29.921 29.762 0.229 0.000 1.368 108 H HN 0.120 nan 8.280 nan 0.000 0.495 109 L N 0.216 121.457 121.223 0.031 0.000 1.994 109 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 109 L C 2.376 179.188 176.870 -0.096 0.000 1.071 109 L CA 1.036 55.788 54.840 -0.147 0.000 0.745 109 L CB -0.195 41.866 42.059 0.004 0.000 0.892 109 L HN 0.186 nan 8.230 nan 0.000 0.431 110 V N -0.791 119.069 119.914 -0.091 0.000 2.343 110 V HA -0.338 3.782 4.120 -0.000 0.000 0.247 110 V C 2.458 178.540 176.094 -0.021 0.000 1.051 110 V CA 1.903 64.172 62.300 -0.051 0.000 1.036 110 V CB -0.880 30.916 31.823 -0.045 0.000 0.654 110 V HN 0.572 nan 8.190 nan 0.000 0.451 111 H N -0.772 118.294 119.070 -0.006 0.000 2.290 111 H HA -0.249 4.307 4.556 -0.000 0.000 0.298 111 H C 2.331 177.660 175.328 0.001 0.000 1.087 111 H CA 2.520 58.589 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 1.904 59.695 58.000 -0.348 0.000 1.199 112 F CB -0.927 37.751 39.000 -0.536 0.000 0.968 112 F HN 0.130 nan 8.300 nan 0.000 0.478 113 Y N -0.804 119.132 120.300 -0.608 0.000 2.206 113 Y HA -0.076 4.474 4.550 -0.000 0.000 0.292 113 Y C 2.581 178.095 175.900 -0.643 0.000 1.123 113 Y CA 2.130 59.794 58.100 -0.726 0.000 1.142 113 Y CB -0.993 37.006 38.460 -0.769 0.000 1.006 113 Y HN 0.221 nan 8.280 nan 0.000 0.518 114 H N -2.509 116.464 119.070 -0.161 0.000 2.582 114 H HA 0.091 4.646 4.556 -0.000 0.000 0.269 114 H C 1.282 176.563 175.328 -0.078 0.000 0.962 114 H CA 0.347 56.284 56.048 -0.185 0.000 1.230 114 H CB 0.339 29.937 29.762 -0.274 0.000 1.445 114 H HN 0.142 nan 8.280 nan 0.000 0.528 115 L N -1.102 120.055 121.223 -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 -0.383 0.000 1.064 115 L CA 1.530 56.252 54.840 -0.197 0.000 0.821 115 L CB -0.291 41.700 42.059 -0.114 0.000 1.027 115 L HN 0.326 nan 8.230 nan 0.000 0.476 116 H N -1.846 116.879 119.070 -0.576 0.000 2.439 116 H HA 0.129 4.685 4.556 -0.000 0.000 0.299 116 H C 2.078 177.287 175.328 -0.199 0.000 1.033 116 H CA 0.616 56.397 56.048 -0.445 0.000 1.348 116 H CB 0.683 30.193 29.762 -0.420 0.000 1.449 116 H HN 0.261 nan 8.280 nan 0.000 0.544 117 A N 1.366 124.035 122.820 -0.252 0.000 1.915 117 A HA -0.223 4.096 4.320 -0.000 0.000 0.220 117 A C 1.907 179.512 177.584 0.035 0.000 1.198 117 A CA 1.483 53.394 52.037 -0.210 0.000 0.647 117 A CB -0.863 17.967 19.000 -0.284 0.000 0.825 117 A HN 0.337 nan 8.150 nan 0.000 0.456 118 L N 0.109 121.376 121.223 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 1.464 56.408 54.840 0.174 0.000 0.859 118 L CB -0.862 41.337 42.059 0.233 0.000 0.992 118 L HN 0.359 nan 8.230 nan 0.000 0.454 119 D N -3.241 117.081 120.400 -0.131 0.000 2.417 119 D HA -0.020 4.620 4.640 -0.000 0.000 0.207 119 D C 1.497 177.116 176.300 -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 -0.781 0.000 0.976 119 D HN 0.362 nan 8.370 nan 0.000 0.505 120 W N 0.282 121.371 121.300 -0.352 0.000 2.873 120 W HA 0.250 4.909 4.660 -0.000 0.000 0.282 120 W C 0.302 176.803 176.519 -0.031 0.000 1.118 120 W CA -0.106 56.963 57.345 -0.460 0.000 1.480 120 W CB 0.507 29.648 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 -0.085 0.000 1.030 121 V CA -0.808 61.572 62.300 0.134 0.000 0.881 121 V CB 1.281 33.114 31.823 0.017 0.000 0.983 121 V HN -0.040 nan 8.190 nan 0.000 0.445 122 N N 4.334 122.883 118.700 -0.252 0.000 2.558 122 N HA 0.154 4.894 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 -0.064 52.459 53.050 -0.877 0.000 0.934 122 N CB 1.495 39.711 38.487 -0.451 0.000 1.175 122 N HN 0.378 nan 8.380 nan 0.000 0.512 123 V N 3.171 122.379 119.914 -1.178 0.000 2.469 123 V HA -0.255 3.865 4.120 -0.000 0.000 0.251 123 V C 2.293 178.103 176.094 -0.472 0.000 1.064 123 V CA 2.243 64.141 62.300 -0.670 0.000 1.066 123 V CB -0.888 30.553 31.823 -0.636 0.000 0.667 123 V HN 0.745 nan 8.190 nan 0.000 0.461 124 A N 0.120 122.700 122.820 -0.400 0.000 2.019 124 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 124 A C 2.035 179.526 177.584 -0.154 0.000 1.164 124 A CA 2.062 53.992 52.037 -0.179 0.000 0.644 124 A CB -0.706 18.291 19.000 -0.004 0.000 0.805 124 A HN 0.584 nan 8.150 nan 0.000 0.449 125 N N 0.103 118.693 118.700 -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 1.137 54.108 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 0.805 52.759 52.037 -0.137 0.000 0.643 126 A CB -0.666 18.234 19.000 -0.168 0.000 0.806 126 A HN 0.380 nan 8.150 nan 0.000 0.451 127 L N -0.267 120.894 121.223 -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 0.883 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 0.891 123.678 122.820 -0.055 0.000 2.304 129 A HA 0.240 4.559 4.320 -0.000 0.000 0.271 129 A C -0.204 177.358 177.584 -0.038 0.000 1.091 129 A CA -0.367 51.640 52.037 -0.050 0.000 0.812 129 A CB 0.448 19.411 19.000 -0.060 0.000 1.056 129 A HN 0.074 nan 8.150 nan 0.000 0.489 130 D N 1.528 121.910 120.400 -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 51.924 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 0.991 178.284 177.300 -0.012 0.000 1.148 131 P CA 1.059 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 0.608 123.423 122.820 -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 1.735 53.769 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 -0.242 120.155 120.400 -0.006 0.000 2.167 133 K HA 0.139 4.459 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 1.092 57.377 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 1.327 124.140 122.820 -0.011 0.000 1.873 134 A HA -0.001 4.318 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 -0.870 18.111 19.000 -0.031 0.000 0.823 134 A HN 0.465 nan 8.150 nan 0.000 0.442 135 A N -0.230 122.588 122.820 -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 1.481 53.523 52.037 0.008 0.000 0.635 135 A CB -0.433 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 2.094 178.404 176.300 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 0.979 122.213 121.223 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 1.914 56.771 54.840 0.029 0.000 0.747 137 L CB -0.856 41.222 42.059 0.033 0.000 0.896 137 L HN 0.116 nan 8.230 nan 0.000 0.432 138 A N -0.300 122.540 122.820 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 54.016 52.037 0.052 0.000 0.627 138 A CB -0.811 18.217 19.000 0.047 0.000 0.818 138 A HN 0.627 nan 8.150 nan 0.000 0.445 139 N N 0.097 118.819 118.700 0.035 0.000 2.459 139 N HA -0.080 4.660 4.740 -0.000 0.000 0.181 139 N C 0.335 175.855 175.510 0.017 0.000 1.046 139 N CA 1.187 54.252 53.050 0.026 0.000 0.904 139 N CB -0.217 38.282 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 1.758 178.061 176.300 0.006 0.000 1.031 140 D CA 0.046 54.052 54.000 0.009 0.000 0.861 140 D CB 0.446 41.251 40.800 0.009 0.000 0.926 140 D HN 0.208 nan 8.370 nan 0.000 0.520 141 L N -0.363 120.870 121.223 0.016 0.000 2.357 141 L HA 0.133 4.473 4.340 -0.000 0.000 0.211 141 L C 0.892 177.760 176.870 -0.003 0.000 1.075 141 L CA 0.385 55.231 54.840 0.011 0.000 0.830 141 L CB 0.162 42.244 42.059 0.039 0.000 0.996 141 L HN -0.029 nan 8.230 nan 0.000 0.467 142 S N -2.200 113.501 115.700 0.001 0.000 2.685 142 S HA 0.489 4.959 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 -0.971 57.218 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 0.234 nan 4.420 nan 0.000 0.249 143 P C -0.356 176.936 177.300 -0.012 0.000 1.229 143 P CA 0.243 63.332 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 1.214 121.607 120.400 -0.011 0.000 2.227 144 K HA 0.228 4.547 4.320 -0.000 0.000 0.280 144 K C -0.428 176.183 176.600 0.017 0.000 1.041 144 K CA -0.686 55.600 56.287 -0.001 0.000 0.905 144 K CB 0.512 33.003 32.500 -0.014 0.000 1.068 144 K HN -0.303 nan 8.250 nan 0.000 0.470 145 K N 2.300 122.711 120.400 0.018 0.000 2.379 145 K HA 0.112 4.432 4.320 -0.000 0.000 0.284 145 K C -0.859 175.763 176.600 0.037 0.000 1.044 145 K CA 0.247 56.548 56.287 0.024 0.000 0.974 145 K CB 1.204 33.714 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 4.759 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 -0.927 61.204 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 -0.927 113.645 114.554 0.031 0.000 2.918 147 T HA 0.375 4.725 4.350 -0.000 0.000 0.286 147 T C 1.376 176.085 174.700 0.016 0.000 1.026 147 T CA -0.716 61.396 62.100 0.020 0.000 1.031 147 T CB 1.295 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 1.771 116.330 114.554 0.009 0.000 2.684 148 T HA -0.108 4.241 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 1.929 64.031 62.100 0.004 0.000 1.148 148 T CB -0.429 68.440 68.868 0.001 0.000 0.863 148 T HN 0.776 nan 8.240 nan 0.000 0.436 149 E N 1.752 121.955 120.200 0.005 0.000 2.058 149 E HA -0.135 4.215 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 1.555 57.958 56.400 0.005 0.000 0.801 149 E CB -0.635 29.069 29.700 0.006 0.000 0.746 149 E HN 0.655 nan 8.360 nan 0.000 0.450 150 S N 0.471 116.180 115.700 0.014 0.000 2.382 150 S HA -0.124 4.346 4.470 -0.000 0.000 0.228 150 S C 2.020 176.628 174.600 0.015 0.000 1.027 150 S CA 0.870 59.082 58.200 0.020 0.000 0.991 150 S CB -0.474 62.745 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 2.873 179.736 176.870 -0.012 0.000 1.078 151 L CA 1.437 56.274 54.840 -0.005 0.000 0.749 151 L CB -0.506 41.546 42.059 -0.011 0.000 0.901 151 L HN 0.349 nan 8.230 nan 0.000 0.433 152 K N 0.076 120.470 120.400 -0.009 0.000 2.103 152 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 152 K C 2.165 178.757 176.600 -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 0.831 123.647 122.820 -0.005 0.000 1.898 153 A HA -0.108 4.212 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 1.302 53.337 52.037 -0.003 0.000 0.620 153 A CB -0.485 18.518 19.000 0.004 0.000 0.819 153 A HN 0.077 nan 8.150 nan 0.000 0.442 154 V N -0.267 119.643 119.914 -0.007 0.000 2.515 154 V HA -0.272 3.848 4.120 -0.000 0.000 0.250 154 V C 2.583 178.657 176.094 -0.034 0.000 1.058 154 V CA 2.113 64.405 62.300 -0.013 0.000 1.064 154 V CB -0.792 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 -0.378 119.400 119.800 -0.037 0.000 2.167 155 Q HA -0.114 4.225 4.340 -0.000 0.000 0.202 155 Q C 2.242 178.216 176.000 -0.042 0.000 0.970 155 Q CA 1.467 57.241 55.803 -0.049 0.000 0.855 155 Q CB -0.190 28.522 28.738 -0.043 0.000 0.911 155 Q HN 0.678 nan 8.270 nan 0.000 0.438 156 A N 0.253 123.056 122.820 -0.029 0.000 2.016 156 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 156 A C 1.790 179.362 177.584 -0.021 0.000 1.162 156 A CA 0.908 52.931 52.037 -0.022 0.000 0.662 156 A CB -0.081 18.911 19.000 -0.014 0.000 0.812 156 A HN 0.173 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 1.859 178.440 176.600 -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 32.257 32.500 -0.008 0.000 0.717 157 K HN 0.264 nan 8.250 nan 0.000 0.438 158 V N 1.776 121.655 119.914 -0.060 0.000 2.343 158 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 158 V C 2.269 178.318 176.094 -0.076 0.000 1.051 158 V CA 1.667 63.908 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 -0.021 120.345 120.400 -0.056 0.000 2.025 159 K HA -0.144 4.176 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 1.425 57.688 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 1.198 124.006 122.820 -0.020 0.000 1.940 160 A HA -0.177 4.143 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 1.373 53.405 52.037 -0.009 0.000 0.631 160 A CB -0.482 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 -0.718 120.500 121.223 -0.008 0.000 2.072 161 L HA -0.029 4.310 4.340 -0.000 0.000 0.205 161 L C 2.342 179.216 176.870 0.006 0.000 1.079 161 L CA 1.519 56.363 54.840 0.007 0.000 0.752 161 L CB -0.297 41.770 42.059 0.014 0.000 0.906 161 L HN 0.109 nan 8.230 nan 0.000 0.436 162 V N -0.004 119.901 119.914 -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 64.354 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 0.178 120.374 120.200 -0.006 0.000 2.409 163 E HA -0.159 4.191 4.350 -0.000 0.000 0.198 163 E C 2.132 178.734 176.600 0.003 0.000 1.024 163 E CA 1.186 57.585 56.400 -0.003 0.000 0.861 163 E CB 0.046 29.742 29.700 -0.005 0.000 0.788 163 E HN 0.770 nan 8.360 nan 0.000 0.521 164 S N -1.656 114.049 115.700 0.008 0.000 2.486 164 S HA 0.159 4.629 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 0.582 58.789 58.200 0.012 0.000 0.921 164 S CB 0.523 63.733 63.200 0.017 0.000 0.785 164 S HN 0.377 nan 8.310 nan 0.000 0.517 165 G N 1.052 109.862 108.800 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 -0.062 174.854 174.900 0.028 0.000 0.980 165 G CA 0.271 45.383 45.100 0.020 0.000 0.632 165 G HN 0.632 nan 8.290 nan 0.000 0.533 166 Q N 0.355 120.175 119.800 0.033 0.000 2.509 166 Q HA 0.608 4.947 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 55.273 55.803 0.041 0.000 0.901 166 Q CB 0.823 29.581 28.738 0.033 0.000 1.208 166 Q HN 0.417 nan 8.270 nan 0.000 0.529 167 L N 1.135 122.408 121.223 0.083 0.000 2.376 167 L HA -0.037 4.303 4.340 -0.000 0.000 0.219 167 L C 1.375 178.356 176.870 0.186 0.000 1.133 167 L CA 0.790 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 2.301 111.150 108.800 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 0.666 45.777 45.100 0.018 0.000 0.987 168 G HN 0.439 nan 8.290 nan 0.000 0.547 169 I N -1.513 118.939 120.570 -0.198 0.000 3.334 169 I HA 0.375 4.545 4.170 -0.000 0.000 0.282 169 I C 1.929 177.693 176.117 -0.589 0.000 1.313 169 I CA 1.560 62.629 61.300 -0.385 0.000 1.396 169 I CB -0.357 37.404 38.000 -0.400 0.000 1.054 169 I HN 0.208 nan 8.210 nan 0.000 0.495 170 F N 0.844 120.782 119.950 -0.020 0.000 2.749 170 F HA 0.243 4.770 4.527 -0.000 0.000 0.300 170 F C 1.222 176.957 175.800 -0.108 0.000 1.103 170 F CA -0.251 57.717 58.000 -0.054 0.000 1.342 170 F CB -0.769 38.239 39.000 0.013 0.000 1.098 170 F HN -0.147 nan 8.300 nan 0.000 0.586 171 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 0.345 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 -0.810 117.860 118.700 -0.050 0.000 2.782 172 N HA -0.170 4.570 4.740 -0.000 0.000 0.251 172 N C 0.269 175.693 175.510 -0.143 0.000 1.101 172 N CA 0.865 53.881 53.050 -0.057 0.000 0.764 172 N CB -1.786 36.691 38.487 -0.017 0.000 1.122 172 N HN 0.960 nan 8.380 nan 0.000 0.561 173 A N -0.254 122.404 122.820 -0.270 0.000 2.555 173 A HA 0.151 4.471 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 0.195 51.897 52.037 -0.558 0.000 0.759 173 A CB 0.093 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 1.251 121.314 120.300 -0.395 0.000 2.403 174 Y HA -0.147 4.403 4.550 -0.000 0.000 0.291 174 Y C 1.665 177.463 175.900 -0.171 0.000 1.143 174 Y CA 1.645 59.660 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 0.785 nan 8.280 nan 0.000 0.550 175 F N -1.849 118.033 119.950 -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 -1.243 37.210 39.000 -0.913 0.000 1.097 175 F HN -0.287 nan 8.300 nan 0.000 0.577 176 L N 2.365 123.512 121.223 -0.127 0.000 2.534 176 L HA 0.292 4.632 4.340 -0.000 0.000 0.271 176 L C 1.348 178.239 176.870 0.036 0.000 1.178 176 L CA 0.647 55.478 54.840 -0.014 0.000 0.907 176 L CB -0.088 41.927 42.059 -0.074 0.000 1.164 176 L HN 0.626 nan 8.230 nan 0.000 0.482 177 G N 2.537 111.370 108.800 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 0.567 175.498 174.900 0.052 0.000 1.041 177 G CA 0.282 45.407 45.100 0.041 0.000 0.807 177 G HN 1.415 nan 8.290 nan 0.000 0.502 178 G N -1.189 107.655 108.800 0.075 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 -0.671 174.320 174.900 0.152 0.000 1.395 178 G CA 0.442 45.600 45.100 0.097 0.000 0.870 178 G HN 2.239 nan 8.290 nan 0.000 0.591 179 H N 3.288 122.426 119.070 0.112 0.000 3.087 179 H HA 0.417 4.973 4.556 -0.000 0.000 0.348 179 H C -1.891 173.585 175.328 0.246 0.000 1.092 179 H CA -0.977 55.185 56.048 0.191 0.000 1.285 179 H CB 2.256 32.192 29.762 0.291 0.000 1.875 179 H HN 0.268 nan 8.280 nan 0.000 0.512 180 P HA -0.052 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 64.606 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 -2.278 120.957 122.820 0.691 0.000 2.238 181 A HA 0.043 4.363 4.320 -0.000 0.000 0.210 181 A C 0.260 178.004 177.584 0.267 0.000 1.179 181 A CA 0.029 52.298 52.037 0.387 0.000 0.827 181 A CB -0.751 18.386 19.000 0.229 0.000 0.856 181 A HN 0.080 nan 8.150 nan 0.000 0.488 182 Y N 0.145 120.617 120.300 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 -0.404 57.846 58.100 0.250 0.000 1.234 182 Y CB 1.337 39.900 38.460 0.172 0.000 1.114 182 Y HN 0.083 nan 8.280 nan 0.000 0.515 183 V N 1.548 121.596 119.914 0.223 0.000 3.319 183 V HA 0.339 4.459 4.120 -0.000 0.000 0.317 183 V C 0.164 176.167 176.094 -0.153 0.000 1.411 183 V CA -0.235 62.073 62.300 0.012 0.000 1.112 183 V CB -0.743 31.050 31.823 -0.050 0.000 1.031 183 V HN 0.480 nan 8.190 nan 0.000 0.448 184 L N 1.437 122.555 121.223 -0.174 0.000 2.436 184 L HA 0.441 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 -1.626 52.932 54.840 -0.468 0.000 0.815 184 L CB 0.122 41.993 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 0.034 177.226 177.300 -0.179 0.000 1.209 185 P CA -0.071 62.883 63.100 -0.242 0.000 0.776 185 P CB 0.784 32.348 31.700 -0.226 0.000 0.876 186 A N 2.501 125.251 122.820 -0.116 0.000 2.076 186 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 186 A C 1.784 179.311 177.584 -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 -0.744 119.405 120.200 -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 1.510 121.369 119.914 -0.092 0.000 2.488 188 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 188 V C 1.376 177.426 176.094 -0.075 0.000 1.046 188 V CA 1.592 63.850 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 0.166 120.503 120.400 -0.105 0.000 2.218 189 D HA -0.152 4.488 4.640 -0.000 0.000 0.204 189 D C 1.946 178.180 176.300 -0.109 0.000 0.976 189 D CA 1.275 55.211 54.000 -0.107 0.000 0.853 189 D CB 0.158 40.873 40.800 -0.143 0.000 0.939 189 D HN 0.444 nan 8.370 nan 0.000 0.481 190 L N -0.106 121.056 121.223 -0.102 0.000 2.249 190 L HA 0.108 4.448 4.340 -0.000 0.000 0.207 190 L C 2.024 178.825 176.870 -0.114 0.000 1.090 190 L CA 0.702 55.482 54.840 -0.101 0.000 0.802 190 L CB -0.001 42.005 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 -0.249 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 1.215 62.361 61.300 -0.256 0.000 1.368 191 I CB -0.507 37.394 38.000 -0.166 0.000 1.058 191 I HN 0.376 nan 8.210 nan 0.000 0.410 192 A N 0.041 122.797 122.820 -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 2.398 54.474 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 0.406 nan 8.150 nan 0.000 0.448 193 T N -0.190 114.355 114.554 -0.014 0.000 2.896 193 T HA 0.141 4.490 4.350 -0.000 0.000 0.263 193 T C 2.184 176.913 174.700 0.049 0.000 1.050 193 T CA 1.119 63.206 62.100 -0.021 0.000 1.140 193 T CB -0.263 68.531 68.868 -0.123 0.000 0.877 193 T HN 0.566 nan 8.240 nan 0.000 0.457 194 A N 0.944 123.762 122.820 -0.004 0.000 1.969 194 A HA -0.102 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 1.270 53.338 52.037 0.052 0.000 0.635 194 A CB -0.734 18.264 19.000 -0.003 0.000 0.810 194 A HN 0.674 nan 8.150 nan 0.000 0.445 195 H N -3.506 115.629 119.070 0.109 0.000 2.436 195 H HA -0.084 4.472 4.556 -0.000 0.000 0.294 195 H C 1.979 177.223 175.328 -0.139 0.000 1.048 195 H CA 1.254 57.325 56.048 0.039 0.000 1.353 195 H CB -0.085 29.745 29.762 0.114 0.000 1.414 195 H HN 0.646 nan 8.280 nan 0.000 0.536 196 Y N 1.827 122.130 120.300 0.004 0.000 2.181 196 Y HA -0.219 4.330 4.550 -0.000 0.000 0.288 196 Y C 1.993 177.951 175.900 0.097 0.000 1.146 196 Y CA 1.219 59.340 58.100 0.036 0.000 1.164 196 Y CB -0.443 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 -0.104 121.342 121.223 0.373 0.000 2.093 197 L HA -0.151 4.189 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 1.705 56.684 54.840 0.231 0.000 0.755 197 L CB -0.597 41.569 42.059 0.179 0.000 0.904 197 L HN 0.218 nan 8.230 nan 0.000 0.435 198 E N 0.417 120.648 120.200 0.052 0.000 2.077 198 E HA -0.228 4.122 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 1.086 57.463 56.400 -0.038 0.000 0.800 198 E CB -0.018 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 0.826 123.473 122.820 -0.288 0.000 2.019 199 A HA -0.144 4.176 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 0.808 52.612 52.037 -0.389 0.000 0.644 199 A CB -0.490 18.242 19.000 -0.446 0.000 0.805 199 A HN 0.270 nan 8.150 nan 0.000 0.449 200 L N -1.172 119.990 121.223 -0.101 0.000 2.141 200 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 200 L C 2.713 179.489 176.870 -0.156 0.000 1.094 200 L CA 0.876 55.598 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 -0.832 119.571 120.500 -0.160 0.000 2.112 201 R HA 0.016 4.356 4.340 -0.000 0.000 0.216 201 R C 2.164 178.350 176.300 -0.189 0.000 1.080 201 R CA 0.781 56.793 56.100 -0.147 0.000 0.996 201 R CB -0.635 29.590 30.300 -0.125 0.000 0.902 201 R HN 0.211 nan 8.270 nan 0.000 0.449 202 V N 2.464 122.189 119.914 -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 2.134 64.220 62.300 -0.358 0.000 1.024 202 V CB -0.729 30.635 31.823 -0.766 0.000 0.651 202 V HN 0.321 nan 8.190 nan 0.000 0.449 203 Q N 0.655 120.360 119.800 -0.159 0.000 2.248 203 Q HA -0.182 4.158 4.340 -0.000 0.000 0.208 203 Q C 1.821 177.878 176.000 0.095 0.000 0.984 203 Q CA 2.418 58.194 55.803 -0.045 0.000 0.875 203 Q CB -1.285 27.370 28.738 -0.138 0.000 0.910 203 Q HN 0.393 nan 8.270 nan 0.000 0.433 204 V N 0.757 120.674 119.914 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 -0.467 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 0.209 120.586 120.400 -0.039 0.000 2.103 205 K HA -0.018 4.302 4.320 -0.000 0.000 0.204 205 K C 2.263 178.837 176.600 -0.044 0.000 1.052 205 K CA 1.270 57.522 56.287 -0.057 0.000 0.945 205 K CB -0.317 32.133 32.500 -0.083 0.000 0.722 205 K HN 0.460 nan 8.250 nan 0.000 0.443 206 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 0.240 0.000 0.815 206 A HN 0.306 nan 8.150 nan 0.000 0.443 207 A N -0.220 122.599 122.820 -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 -0.433 18.448 19.000 -0.198 0.000 0.816 207 A HN 0.548 nan 8.150 nan 0.000 0.444 208 R N -0.211 120.239 120.500 -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 1.368 57.415 56.100 -0.088 0.000 0.970 208 R CB -0.372 29.882 30.300 -0.077 0.000 0.864 208 R HN 0.390 nan 8.270 nan 0.000 0.440 209 A N 1.331 124.069 122.820 -0.136 0.000 1.898 209 A HA -0.190 4.129 4.320 -0.000 0.000 0.216 209 A C 2.209 179.783 177.584 -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 -0.454 0.000 0.819 209 A HN 0.544 nan 8.150 nan 0.000 0.442 210 M N -0.261 119.332 119.600 -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 0.171 122.925 122.820 -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 0.965 52.924 52.037 -0.130 0.000 0.692 211 A CB -0.870 18.072 19.000 -0.096 0.000 0.799 211 A HN 0.626 nan 8.150 nan 0.000 0.458 212 I N -1.790 118.651 120.570 -0.215 0.000 2.202 212 I HA -0.195 3.974 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 1.285 62.373 61.300 -0.354 0.000 1.368 212 I CB -0.191 37.592 38.000 -0.362 0.000 1.058 212 I HN 0.332 nan 8.210 nan 0.000 0.410 213 F N 0.063 119.891 119.950 -0.204 0.000 2.270 213 F HA 0.109 4.636 4.527 -0.000 0.000 0.295 213 F C 2.435 177.740 175.800 -0.824 0.000 1.087 213 F CA 0.878 58.610 58.000 -0.446 0.000 1.365 213 F CB -1.267 37.417 39.000 -0.527 0.000 1.056 213 F HN -0.049 nan 8.300 nan 0.000 0.506 214 G N -1.158 107.270 108.800 -0.619 0.000 2.920 214 G HA2 0.277 4.237 3.960 -0.000 0.000 0.208 214 G HA3 0.277 4.237 3.960 -0.000 0.000 0.208 214 G C 1.383 176.160 174.900 -0.204 0.000 1.159 214 G CA 0.810 45.499 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 -0.119 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 1.897 53.927 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 -0.628 119.766 120.400 -0.009 0.000 2.579 216 K HA 0.658 4.978 4.320 -0.000 0.000 0.284 216 K C -1.026 175.567 176.600 -0.011 0.000 0.990 216 K CA -0.143 56.138 56.287 -0.010 0.000 0.880 216 K CB 1.289 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 1.197 119.874 118.700 -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 -1.067 51.945 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 -1.279 176.001 177.300 -0.032 0.000 1.246 218 P CA 0.088 63.110 63.100 -0.131 0.000 0.795 218 P CB 0.379 31.901 31.700 -0.297 0.000 1.006 219 H N -1.694 117.426 119.070 0.082 0.000 3.101 219 H HA -0.101 4.455 4.556 -0.000 0.000 0.350 219 H C 0.094 175.504 175.328 0.137 0.000 1.157 219 H CA 0.301 56.418 56.048 0.115 0.000 1.141 219 H CB -2.239 27.574 29.762 0.086 0.000 1.595 219 H HN 0.628 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 0.713 175.617 174.700 0.340 0.000 1.094 220 T CA -0.050 62.228 62.100 0.296 0.000 1.112 220 T CB 1.765 70.843 68.868 0.350 0.000 1.009 220 T HN 0.610 nan 8.240 nan 0.000 0.550 221 Q N 1.233 121.252 119.800 0.364 0.000 3.966 221 Q HA 0.373 4.713 4.340 -0.000 0.000 0.198 221 Q C -0.988 175.228 176.000 0.360 0.000 0.872 221 Q CA -0.532 55.459 55.803 0.313 0.000 0.767 221 Q CB 0.208 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 -0.130 175.711 175.800 0.067 0.000 1.075 222 F CA 0.058 58.099 58.000 0.069 0.000 1.073 222 F CB 0.078 39.108 39.000 0.049 0.000 1.243 222 F HN 0.005 nan 8.300 nan 0.000 0.540 223 T N 1.423 115.596 114.554 -0.635 0.000 2.902 223 T HA 0.789 5.138 4.350 -0.000 0.000 0.283 223 T C -0.351 174.230 174.700 -0.198 0.000 1.009 223 T CA -0.051 61.691 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 -1.386 60.923 62.300 0.015 0.000 1.043 224 V CB 1.456 33.389 31.823 0.183 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 1.727 63.823 62.300 -0.341 0.000 1.038 225 V CB -0.145 31.303 31.823 -0.625 0.000 0.981 225 V HN 1.882 nan 8.190 nan 0.000 0.478 226 G N 3.092 111.670 108.800 -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 44.789 45.100 -0.400 0.000 0.640 226 G HN 1.832 nan 8.290 nan 0.000 0.496 227 G N -1.640 107.092 108.800 -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 -0.652 174.218 174.900 -0.049 0.000 1.172 227 G CA 0.565 45.638 45.100 -0.044 0.000 1.091 227 G HN 1.361 nan 8.290 nan 0.000 0.464 228 C N -0.483 118.802 119.300 -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 0.437 59.384 59.018 -0.118 0.000 1.593 228 C CB 1.369 29.055 27.740 -0.090 0.000 2.076 228 C HN 1.259 nan 8.230 nan 0.000 0.472 229 T N -2.695 111.801 114.554 -0.097 0.000 2.971 229 T HA 0.066 4.415 4.350 -0.000 0.000 0.252 229 T C 0.409 175.013 174.700 -0.161 0.000 1.022 229 T CA 0.299 62.327 62.100 -0.120 0.000 0.980 229 T CB -0.325 68.557 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 -0.224 175.255 175.510 -0.052 0.000 1.188 230 N CA -0.379 52.689 53.050 0.029 0.000 1.065 230 N CB -0.396 38.201 38.487 0.183 0.000 1.415 230 N HN 0.414 nan 8.380 nan 0.000 0.511 231 Y N 0.140 120.496 120.300 0.093 0.000 2.395 231 Y HA -0.046 4.504 4.550 -0.000 0.000 0.293 231 Y C 1.975 177.912 175.900 0.062 0.000 1.123 231 Y CA 0.434 58.576 58.100 0.071 0.000 1.227 231 Y CB 0.006 38.496 38.460 0.049 0.000 1.012 231 Y HN 0.415 nan 8.280 nan 0.000 0.552 232 D N -0.108 120.404 120.400 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 1.674 55.742 54.000 0.113 0.000 0.834 232 D CB -0.111 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 0.120 0.000 0.977 233 S CA -0.021 58.215 58.200 0.059 0.000 0.926 233 S CB -0.194 63.030 63.200 0.040 0.000 0.769 233 S HN 0.183 nan 8.310 nan 0.000 0.533 234 L N 1.629 122.927 121.223 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 -0.868 41.268 42.059 0.128 0.000 0.992 234 L HN 0.296 nan 8.230 nan 0.000 0.447 235 R N -0.089 120.454 120.500 0.073 0.000 2.441 235 R HA 0.157 4.497 4.340 -0.000 0.000 0.284 235 R C -1.346 174.982 176.300 0.047 0.000 1.070 235 R CA -1.580 54.552 56.100 0.054 0.000 1.047 235 R CB -0.117 30.209 30.300 0.042 0.000 1.016 235 R HN -0.131 nan 8.270 nan 0.000 0.477 236 P HA -0.206 nan 4.420 nan 0.000 0.216 236 P C 0.339 177.662 177.300 0.038 0.000 1.153 236 P CA 1.330 64.454 63.100 0.041 0.000 0.858 236 P CB 0.309 32.029 31.700 0.034 0.000 0.789 237 E N -0.383 119.835 120.200 0.030 0.000 2.038 237 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 237 E C 2.019 178.632 176.600 0.020 0.000 1.000 237 E CA 1.178 57.592 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 0.202 120.709 120.500 0.011 0.000 2.193 238 R HA 0.017 4.357 4.340 -0.000 0.000 0.229 238 R C 2.322 178.619 176.300 -0.006 0.000 1.110 238 R CA 0.751 56.840 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 0.268 120.863 120.570 0.042 0.000 2.584 239 I HA -0.096 4.074 4.170 -0.000 0.000 0.255 239 I C 2.357 178.560 176.117 0.142 0.000 1.145 239 I CA 0.611 61.966 61.300 0.091 0.000 1.462 239 I CB -0.216 37.837 38.000 0.087 0.000 1.102 239 I HN 0.043 nan 8.210 nan 0.000 0.433 240 A N 0.421 123.299 122.820 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 1.630 53.723 52.037 0.092 0.000 0.620 240 A CB -0.567 18.467 19.000 0.057 0.000 0.822 240 A HN 0.374 nan 8.150 nan 0.000 0.443 241 E N -1.354 118.889 120.200 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 1.566 57.991 56.400 0.041 0.000 0.803 241 E CB -0.270 29.434 29.700 0.007 0.000 0.750 241 E HN 0.643 nan 8.360 nan 0.000 0.448 242 F N 1.520 121.430 119.950 -0.068 0.000 2.102 242 F HA -0.181 4.346 4.527 -0.000 0.000 0.298 242 F C 2.467 178.309 175.800 0.070 0.000 1.105 242 F CA 1.775 59.737 58.000 -0.063 0.000 1.239 242 F CB -0.205 38.688 39.000 -0.178 0.000 0.991 242 F HN -0.168 nan 8.300 nan 0.000 0.474 243 R N 0.687 121.426 120.500 0.398 0.000 2.083 243 R HA -0.195 4.145 4.340 -0.000 0.000 0.237 243 R C 2.475 178.887 176.300 0.188 0.000 1.137 243 R CA 1.785 58.098 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 0.258 nan 8.270 nan 0.000 0.434 244 K N 0.399 120.852 120.400 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 1.639 57.939 56.287 0.022 0.000 0.929 244 K CB -0.193 32.311 32.500 0.007 0.000 0.714 244 K HN 0.215 nan 8.250 nan 0.000 0.440 245 L N -0.124 121.053 121.223 -0.077 0.000 2.017 245 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 245 L C 2.541 179.330 176.870 -0.134 0.000 1.073 245 L CA 1.334 56.099 54.840 -0.125 0.000 0.745 245 L CB -0.701 41.247 42.059 -0.184 0.000 0.894 245 L HN 0.240 nan 8.230 nan 0.000 0.432 246 Y N 1.308 121.424 120.300 -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 0.055 120.221 120.400 -0.390 0.000 2.026 247 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 247 K C 2.061 178.518 176.600 -0.240 0.000 1.048 247 K CA 1.888 57.936 56.287 -0.398 0.000 0.929 247 K CB -0.304 32.092 32.500 -0.173 0.000 0.713 247 K HN 0.407 nan 8.250 nan 0.000 0.439 248 E N 0.549 120.665 120.200 -0.140 0.000 2.070 248 E HA -0.196 4.154 4.350 -0.000 0.000 0.197 248 E C 2.020 178.586 176.600 -0.056 0.000 1.004 248 E CA 1.610 57.963 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 0.038 nan 8.360 nan 0.000 0.451 249 V N 0.667 120.532 119.914 -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 1.774 64.069 62.300 -0.007 0.000 1.035 249 V CB -0.507 31.311 31.823 -0.007 0.000 0.658 249 V HN 0.217 nan 8.190 nan 0.000 0.452 250 R N 0.098 120.509 120.500 -0.148 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 2.188 58.194 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 -0.616 119.546 120.200 -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 1.645 58.028 56.400 -0.028 0.000 0.801 251 E CB -0.220 29.462 29.700 -0.031 0.000 0.743 251 E HN 0.311 nan 8.360 nan 0.000 0.453 252 F N 0.720 120.641 119.950 -0.050 0.000 2.171 252 F HA -0.161 4.366 4.527 -0.000 0.000 0.300 252 F C 1.840 177.664 175.800 0.041 0.000 1.090 252 F CA 1.252 59.238 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 -0.045 nan 8.300 nan 0.000 0.486 253 I N 0.035 120.720 120.570 0.193 0.000 2.353 253 I HA -0.221 3.948 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 1.352 62.767 61.300 0.192 0.000 1.417 253 I CB -0.434 37.727 38.000 0.268 0.000 1.078 253 I HN 0.172 nan 8.210 nan 0.000 0.421 254 E N 0.240 120.411 120.200 -0.049 0.000 2.076 254 E HA -0.184 4.166 4.350 -0.000 0.000 0.190 254 E C 2.065 178.587 176.600 -0.129 0.000 0.979 254 E CA 0.909 57.253 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 -0.312 119.397 119.800 -0.152 0.000 2.376 255 Q HA 0.021 4.361 4.340 -0.000 0.000 0.206 255 Q C 1.705 177.551 176.000 -0.257 0.000 0.921 255 Q CA 0.495 56.195 55.803 -0.171 0.000 0.911 255 Q CB 1.007 29.667 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 1.450 177.378 176.094 -0.276 0.000 1.247 256 V CA 0.346 62.290 62.300 -0.594 0.000 1.281 256 V CB -0.809 30.183 31.823 -1.386 0.000 1.169 256 V HN 0.188 nan 8.190 nan 0.000 0.512 257 Y N 1.906 121.962 120.300 -0.408 0.000 2.081 257 Y HA -0.235 4.314 4.550 -0.000 0.000 0.280 257 Y C 2.344 178.071 175.900 -0.288 0.000 1.163 257 Y CA 1.738 59.764 58.100 -0.125 0.000 1.135 257 Y CB -0.511 37.956 38.460 0.012 0.000 0.970 257 Y HN 0.124 nan 8.280 nan 0.000 0.498 258 I N 0.389 120.732 120.570 -0.380 0.000 2.226 258 I HA -0.279 3.891 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 63.106 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 1.556 176.230 174.700 -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 68.460 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 0.030 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 0.677 54.782 54.000 0.174 0.000 0.833 260 D CB -0.503 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 0.493 121.570 121.223 -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 1.596 56.175 54.840 -0.435 0.000 0.745 261 L CB -0.610 40.949 42.059 -0.832 0.000 0.892 261 L HN 0.005 nan 8.230 nan 0.000 0.431 262 L N -0.423 120.672 121.223 -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 -0.106 0.000 1.094 262 L CA 1.004 55.743 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 -0.036 122.761 122.820 -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 1.837 53.898 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 -0.078 119.959 119.914 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 1.891 64.384 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 -0.140 4.180 4.320 -0.000 0.000 0.219 265 A C 2.399 179.973 177.584 -0.016 0.000 1.176 265 A CA 1.923 53.917 52.037 -0.071 0.000 0.631 265 A CB -1.211 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 -1.600 107.132 108.800 -0.114 0.000 2.462 266 G HA2 -0.138 3.821 3.960 -0.000 0.000 0.220 266 G HA3 -0.138 3.821 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 0.949 45.875 45.100 -0.290 0.000 0.758 266 G HN 0.485 nan 8.290 nan 0.000 0.559 267 F N -1.261 118.680 119.950 -0.015 0.000 2.693 267 F HA 0.401 4.927 4.527 -0.001 0.000 0.303 267 F C 0.235 175.900 175.800 -0.224 0.000 1.097 267 F CA -0.340 57.574 58.000 -0.143 0.000 1.330 267 F CB 0.417 39.245 39.000 -0.287 0.000 1.067 267 F HN 0.063 nan 8.300 nan 0.000 0.565 268 Y N -0.887 119.541 120.300 0.213 0.000 2.685 268 Y HA 0.235 4.785 4.550 -0.000 0.000 0.257 268 Y C 1.287 177.354 175.900 0.279 0.000 1.053 268 Y CA -1.081 57.209 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 0.355 120.906 120.400 0.251 0.000 2.360 269 K HA -0.205 4.115 4.320 -0.000 0.000 0.201 269 K C 1.386 178.089 176.600 0.173 0.000 1.046 269 K CA 1.704 58.084 56.287 0.155 0.000 0.940 269 K CB -0.076 32.458 32.500 0.056 0.000 0.748 269 K HN 0.649 nan 8.250 nan 0.000 0.465 270 N N -0.995 117.833 118.700 0.213 0.000 2.512 270 N HA -0.154 4.586 4.740 -0.000 0.000 0.183 270 N C 1.061 176.581 175.510 0.018 0.000 1.073 270 N CA 0.433 53.531 53.050 0.079 0.000 0.911 270 N CB -0.178 38.328 38.487 0.033 0.000 0.964 270 N HN 0.167 nan 8.380 nan 0.000 0.447 271 W N 0.055 121.460 121.300 0.176 0.000 3.180 271 W HA 0.404 5.063 4.660 -0.000 0.000 0.254 271 W C 1.749 178.336 176.519 0.114 0.000 1.318 271 W CA 0.087 57.541 57.345 0.181 0.000 1.608 271 W CB 0.102 29.721 29.460 0.265 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 4.618 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 1.140 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 -0.738 108.107 108.800 0.075 0.000 3.695 273 G HA2 0.472 4.432 3.960 -0.000 0.000 0.277 273 G HA3 0.472 4.432 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 0.154 120.743 120.570 0.032 0.000 2.509 274 I HA 0.548 4.718 4.170 -0.000 0.000 0.293 274 I C 0.954 177.178 176.117 0.177 0.000 1.020 274 I CA -0.502 60.796 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 3.881 112.776 108.800 0.160 0.000 2.212 275 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.255 275 G HA3 -0.267 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 -0.116 45.114 45.100 0.218 0.000 0.815 275 G HN 0.675 nan 8.290 nan 0.000 0.497 276 K N 0.614 121.119 120.400 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 0.421 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 -0.983 61.181 62.100 0.107 0.000 1.005 277 T CB 1.721 70.670 68.868 0.135 0.000 1.136 277 T HN 0.387 nan 8.240 nan 0.000 0.498 278 S N 1.280 116.839 115.700 -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 -0.348 0.000 0.978 278 S CB 0.871 63.952 63.200 -0.199 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 -1.849 172.960 175.510 -1.168 0.000 1.707 279 N CA 0.618 52.987 53.050 -1.134 0.000 1.494 279 N CB -1.157 36.313 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 0.218 176.048 175.800 0.051 0.000 1.091 280 F CA -1.080 56.959 58.000 0.065 0.000 0.915 280 F CB 1.549 40.566 39.000 0.029 0.000 1.208 280 F HN 0.323 nan 8.300 nan 0.000 0.453 281 L N 0.040 121.259 121.223 -0.006 0.000 2.465 281 L HA 0.988 5.328 4.340 -0.000 0.000 0.257 281 L C -0.818 175.794 176.870 -0.429 0.000 0.988 281 L CA -0.546 54.069 54.840 -0.376 0.000 0.827 281 L CB 1.826 43.366 42.059 -0.865 0.000 1.397 281 L HN 0.608 nan 8.230 nan 0.000 0.410 282 T N -0.465 113.770 114.554 -0.531 0.000 2.889 282 T HA 0.465 4.815 4.350 -0.000 0.000 0.315 282 T C 0.395 174.625 174.700 -0.783 0.000 1.291 282 T CA 0.100 61.878 62.100 -0.536 0.000 1.028 282 T CB 1.056 69.749 68.868 -0.291 0.000 1.235 282 T HN 1.227 nan 8.240 nan 0.000 0.491 283 C N 1.398 120.243 119.300 -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 0.035 58.618 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 0.816 109.464 108.800 -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 45.224 45.100 -0.144 0.000 0.864 284 G HN 0.759 nan 8.290 nan 0.000 0.544 285 E N -1.382 118.758 120.200 -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 -0.165 0.000 0.969 285 E CA -0.789 55.409 56.400 -0.338 0.000 0.800 285 E CB 0.668 29.918 29.700 -0.749 0.000 1.341 285 E HN 1.490 nan 8.360 nan 0.000 0.460 286 F N -0.772 119.158 119.950 -0.034 0.000 2.616 286 F HA -0.134 4.393 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 0.318 58.258 58.000 -0.100 0.000 1.278 286 F CB -1.688 37.364 39.000 0.087 0.000 1.799 286 F HN 0.205 nan 8.300 nan 0.000 0.784 287 P HA 0.260 nan 4.420 nan 0.000 0.276 287 P C 0.726 178.043 177.300 0.029 0.000 1.252 287 P CA 0.325 63.448 63.100 0.037 0.000 0.802 287 P CB 1.438 33.123 31.700 -0.024 0.000 1.035 288 T N -3.631 110.958 114.554 0.059 0.000 3.038 288 T HA 0.097 4.447 4.350 -0.000 0.000 0.244 288 T C 0.305 175.027 174.700 0.037 0.000 1.016 288 T CA 0.412 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 1.363 121.794 120.400 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 1.327 42.177 40.800 0.083 0.000 1.079 289 D HN 0.032 nan 8.370 nan 0.000 0.521 290 E N 2.694 122.924 120.200 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 -0.194 120.098 120.300 -0.013 0.000 2.612 291 Y HA 0.202 4.752 4.550 -0.000 0.000 0.250 291 Y C -0.053 175.859 175.900 0.020 0.000 1.175 291 Y CA -0.515 57.586 58.100 0.001 0.000 1.205 291 Y CB 0.899 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 -0.052 120.411 120.400 0.104 0.000 2.575 292 D HA 0.256 4.896 4.640 -0.000 0.000 0.250 292 D C 0.525 176.856 176.300 0.053 0.000 1.279 292 D CA -0.150 53.899 54.000 0.083 0.000 0.925 292 D CB 1.100 41.951 40.800 0.085 0.000 1.261 292 D HN 0.058 nan 8.370 nan 0.000 0.567 293 L N 2.530 123.781 121.223 0.047 0.000 2.191 293 L HA -0.069 4.270 4.340 -0.000 0.000 0.212 293 L C 1.223 178.110 176.870 0.027 0.000 1.103 293 L CA 0.688 55.543 54.840 0.026 0.000 0.769 293 L CB -0.098 41.975 42.059 0.023 0.000 0.908 293 L HN 0.401 nan 8.230 nan 0.000 0.438 294 N N -0.482 118.243 118.700 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 0.742 53.818 53.050 0.044 0.000 0.863 294 N CB 0.249 38.762 38.487 0.044 0.000 0.980 294 N HN 0.296 nan 8.380 nan 0.000 0.458 295 S N -0.891 114.847 115.700 0.064 0.000 2.577 295 S HA 0.230 4.699 4.470 -0.000 0.000 0.219 295 S C 0.708 175.375 174.600 0.111 0.000 0.962 295 S CA -0.462 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 0.652 121.212 120.500 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 2.789 123.233 120.300 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 1.820 60.085 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 1.372 115.915 114.554 -0.017 0.000 2.806 298 T HA 0.421 4.771 4.350 -0.000 0.000 0.290 298 T C -2.579 172.013 174.700 -0.180 0.000 0.966 298 T CA -2.150 59.725 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 0.214 nan 4.420 nan 0.000 0.276 299 P C -0.807 176.420 177.300 -0.121 0.000 1.252 299 P CA -0.524 62.505 63.100 -0.119 0.000 0.802 299 P CB 0.723 32.364 31.700 -0.098 0.000 1.035 300 Q N 0.415 120.157 119.800 -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 -0.901 54.824 55.803 -0.130 0.000 0.894 300 Q CB 1.010 29.687 28.738 -0.101 0.000 1.252 300 Q HN 0.806 nan 8.270 nan 0.000 0.448 301 G N -0.638 108.102 108.800 -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 4.600 4.120 -0.000 0.000 0.297 302 V C -0.122 175.971 176.094 -0.002 0.000 1.035 302 V CA -0.549 61.679 62.300 -0.120 0.000 0.867 302 V CB 1.471 33.184 31.823 -0.183 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 4.548 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 4.664 126.089 121.300 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 0.599 58.014 57.345 0.118 0.000 1.222 304 W CB 1.360 30.906 29.460 0.143 0.000 1.304 304 W HN 0.828 nan 8.180 nan 0.000 0.547 305 G N 2.755 111.667 108.800 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 0.231 175.171 174.900 0.067 0.000 1.226 305 G CA 1.061 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 -0.782 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 2.441 307 D HA 0.160 4.800 4.640 -0.000 0.000 0.221 307 D C 0.697 177.093 176.300 0.160 0.000 1.156 307 D CA -0.211 53.852 54.000 0.105 0.000 0.896 307 D CB 0.643 41.513 40.800 0.116 0.000 1.028 307 D HN 0.199 nan 8.370 nan 0.000 0.509 308 L N 2.350 123.673 121.223 0.167 0.000 2.599 308 L HA -0.005 4.335 4.340 -0.000 0.000 0.230 308 L C 2.014 178.941 176.870 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 -1.043 114.709 115.700 0.086 0.000 2.478 309 S HA -0.036 4.433 4.470 -0.000 0.000 0.222 309 S C 0.880 175.519 174.600 0.066 0.000 1.008 309 S CA 0.006 58.239 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 1.429 121.889 120.400 0.099 0.000 2.559 310 K HA 0.531 4.851 4.320 -0.000 0.000 0.249 310 K C -1.857 174.837 176.600 0.157 0.000 0.958 310 K CA -0.509 55.849 56.287 0.118 0.000 0.901 310 K CB 1.848 34.423 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 61.564 62.300 0.127 0.000 0.838 311 V CB 1.170 33.039 31.823 0.077 0.000 0.999 311 V HN 0.763 nan 8.190 nan 0.000 0.447 312 D N 2.366 122.884 120.400 0.197 0.000 2.411 312 D HA 0.288 4.928 4.640 -0.000 0.000 0.251 312 D C -0.243 176.148 176.300 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 41.642 40.800 0.349 0.000 1.101 312 D HN 0.436 nan 8.370 nan 0.000 0.504 313 D N -0.207 120.286 120.400 0.155 0.000 2.256 313 D HA 0.137 4.777 4.640 -0.000 0.000 0.250 313 D C -0.518 175.878 176.300 0.160 0.000 1.093 313 D CA -0.386 53.690 54.000 0.127 0.000 0.882 313 D CB 0.386 41.241 40.800 0.092 0.000 1.185 313 D HN 0.113 nan 8.370 nan 0.000 0.437 314 F N 3.356 123.289 119.950 -0.028 0.000 2.472 314 F HA 0.220 4.746 4.527 -0.000 0.000 0.364 314 F C -0.079 175.734 175.800 0.020 0.000 1.090 314 F CA -0.540 57.413 58.000 -0.078 0.000 1.188 314 F CB 0.197 39.058 39.000 -0.233 0.000 1.105 314 F HN 0.046 nan 8.300 nan 0.000 0.536 315 N N 8.697 127.159 118.700 -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 50.238 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 0.056 177.566 177.300 0.349 0.000 1.158 316 P CA 0.748 63.860 63.100 0.020 0.000 0.769 316 P CB 0.552 32.404 31.700 0.253 0.000 0.807 317 D N -0.292 120.201 120.400 0.155 0.000 2.312 317 D HA -0.001 4.639 4.640 -0.000 0.000 0.211 317 D C 1.737 178.100 176.300 0.104 0.000 0.964 317 D CA 0.605 54.686 54.000 0.136 0.000 0.877 317 D CB -0.209 40.600 40.800 0.016 0.000 0.924 317 D HN 0.274 nan 8.370 nan 0.000 0.515 318 L N 0.542 121.758 121.223 -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 54.824 54.840 -0.194 0.000 0.877 318 L CB 0.016 41.617 42.059 -0.763 0.000 1.009 318 L HN -0.138 nan 8.230 nan 0.000 0.447 319 I N 0.246 120.923 120.570 0.178 0.000 2.365 319 I HA 0.161 4.331 4.170 -0.000 0.000 0.291 319 I C 0.197 176.330 176.117 0.025 0.000 1.004 319 I CA 0.090 61.522 61.300 0.219 0.000 1.311 319 I CB 1.089 39.245 38.000 0.261 0.000 1.401 319 I HN 0.028 nan 8.210 nan 0.000 0.491 320 E N 5.920 126.119 120.200 -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 32.206 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 -0.458 176.016 176.600 -0.209 0.000 0.930 321 E CA -0.434 55.853 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 0.978 119.962 119.070 -0.144 0.000 2.488 322 H HA 0.212 4.768 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 -0.295 55.684 56.048 -0.115 0.000 1.307 322 H CB 1.965 31.684 29.762 -0.072 0.000 1.517 322 H HN 0.378 nan 8.280 nan 0.000 0.554 323 V N -0.683 119.237 119.914 0.009 0.000 3.329 323 V HA 0.141 4.260 4.120 -0.000 0.000 0.317 323 V C 1.531 177.595 176.094 -0.050 0.000 1.495 323 V CA -0.314 61.996 62.300 0.016 0.000 1.105 323 V CB 0.261 32.112 31.823 0.047 0.000 0.985 323 V HN 0.612 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 -0.051 120.157 120.300 -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 39.211 38.460 -0.311 0.000 1.163 325 Y HN -0.146 nan 8.280 nan 0.000 0.537 326 S N -1.350 114.137 115.700 -0.356 0.000 2.677 326 S HA 0.308 4.777 4.470 -0.000 0.000 0.304 326 S C -0.849 173.477 174.600 -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 -1.124 174.937 176.519 -0.764 0.000 0.638 327 W CA -0.518 56.388 57.345 -0.731 0.000 2.105 327 W CB -1.308 27.335 29.460 -1.363 0.000 1.639 327 W HN 0.509 nan 8.180 nan 0.000 0.304 328 Y N -0.740 119.598 120.300 0.063 0.000 2.581 328 Y HA 0.223 4.773 4.550 -0.000 0.000 0.345 328 Y C 0.585 176.507 175.900 0.037 0.000 1.036 328 Y CA -1.581 56.564 58.100 0.076 0.000 1.042 328 Y CB 1.167 39.669 38.460 0.070 0.000 1.289 328 Y HN -0.046 nan 8.280 nan 0.000 0.471 329 E N 1.211 121.539 120.200 0.212 0.000 2.452 329 E HA 0.315 4.664 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 1.103 57.572 56.400 0.115 0.000 0.926 329 E CB 0.345 30.108 29.700 0.105 0.000 0.934 329 E HN 0.885 nan 8.360 nan 0.000 0.452 330 G N 2.534 111.355 108.800 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 0.269 175.148 174.900 -0.036 0.000 1.264 330 G CA -0.036 45.062 45.100 -0.002 0.000 0.935 330 G HN 0.823 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 5.055 4.320 -0.000 0.000 0.292 331 A C 0.980 178.497 177.584 -0.112 0.000 1.055 331 A CA 1.291 53.276 52.037 -0.086 0.000 0.969 331 A CB 0.002 18.943 19.000 -0.098 0.000 1.236 331 A HN 2.226 nan 8.150 nan 0.000 0.534 332 G N 0.160 108.869 108.800 -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 0.055 174.668 174.900 -0.479 0.000 1.238 332 G CA 0.447 45.360 45.100 -0.311 0.000 0.838 332 G HN 0.894 nan 8.290 nan 0.000 0.547 333 A N 2.553 124.998 122.820 -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 1.037 119.967 119.070 -0.233 0.000 2.717 334 H HA 0.274 4.829 4.556 -0.000 0.000 0.366 334 H C -0.602 174.622 175.328 -0.174 0.000 1.132 334 H CA -0.434 55.519 56.048 -0.159 0.000 1.180 334 H CB 1.416 31.091 29.762 -0.145 0.000 1.678 334 H HN 0.886 nan 8.280 nan 0.000 0.537 335 H N 3.802 122.840 119.070 -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 54.625 56.048 -0.201 0.000 1.423 335 H CB 1.411 31.089 29.762 -0.141 0.000 1.425 335 H HN 0.303 nan 8.280 nan 0.000 0.606 336 P HA -0.168 nan 4.420 nan 0.000 0.219 336 P C 0.834 177.754 177.300 -0.634 0.000 1.146 336 P CA 1.246 63.673 63.100 -1.122 0.000 0.808 336 P CB -0.113 30.384 31.700 -2.006 0.000 0.779 337 Y N 0.115 120.249 120.300 -0.276 0.000 2.421 337 Y HA -0.043 4.507 4.550 -0.000 0.000 0.292 337 Y C 1.649 177.522 175.900 -0.046 0.000 1.136 337 Y CA 0.901 59.005 58.100 0.006 0.000 1.255 337 Y CB -0.536 38.029 38.460 0.176 0.000 0.991 337 Y HN -0.023 nan 8.280 nan 0.000 0.552 338 K N -0.210 120.226 120.400 0.061 0.000 2.537 338 K HA 0.254 4.574 4.320 -0.000 0.000 0.206 338 K C 0.748 177.185 176.600 -0.271 0.000 1.041 338 K CA -0.073 56.169 56.287 -0.075 0.000 1.090 338 K CB 0.454 32.938 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 -0.002 174.777 174.900 -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 -1.552 118.275 119.914 -0.144 0.000 2.925 340 V HA 0.844 4.964 4.120 -0.000 0.000 0.311 340 V C -0.301 175.769 176.094 -0.040 0.000 1.104 340 V CA -0.871 61.381 62.300 -0.080 0.000 0.954 340 V CB 2.050 33.820 31.823 -0.088 0.000 1.022 340 V HN 0.654 nan 8.190 nan 0.000 0.427 341 T N 4.449 119.018 114.554 0.026 0.000 3.226 341 T HA 0.457 4.807 4.350 -0.000 0.000 0.378 341 T C -0.558 174.274 174.700 0.220 0.000 1.380 341 T CA -0.549 61.611 62.100 0.099 0.000 1.396 341 T CB 0.118 69.085 68.868 0.166 0.000 1.044 341 T HN 0.769 nan 8.240 nan 0.000 0.586 342 K N 3.309 123.872 120.400 0.273 0.000 2.530 342 K HA 0.320 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 1.788 34.386 32.500 0.163 0.000 1.286 342 K HN 0.245 nan 8.250 nan 0.000 0.480 343 P HA 0.024 nan 4.420 nan 0.000 0.267 343 P C -0.594 176.753 177.300 0.078 0.000 1.205 343 P CA -0.003 63.102 63.100 0.009 0.000 0.765 343 P CB 0.706 32.170 31.700 -0.393 0.000 0.828 344 K N 4.385 124.823 120.400 0.063 0.000 2.723 344 K HA 0.123 4.443 4.320 -0.000 0.000 0.229 344 K C -0.698 175.955 176.600 0.090 0.000 1.022 344 K CA -0.565 55.779 56.287 0.095 0.000 1.045 344 K CB 0.819 33.366 32.500 0.078 0.000 1.227 344 K HN 0.556 nan 8.250 nan 0.000 0.516 345 W N 4.688 125.906 121.300 -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 0.735 57.831 57.345 -0.415 0.000 1.227 345 W CB 1.013 30.288 29.460 -0.308 0.000 1.178 345 W HN 0.674 nan 8.180 nan 0.000 0.560 346 T N 1.327 115.416 114.554 -0.774 0.000 3.209 346 T HA 0.257 4.606 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 -0.209 61.552 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 -0.012 119.076 120.200 -1.854 0.000 9.073 347 E HA -0.143 4.206 4.350 -0.000 0.000 0.486 347 E C -1.312 175.025 176.600 -0.439 0.000 1.369 347 E CA -0.316 55.187 56.400 -1.495 0.000 2.399 347 E CB -0.807 28.479 29.700 -0.689 0.000 1.019 347 E HN 0.226 nan 8.360 nan 0.000 0.265 348 F N 3.033 122.783 119.950 -0.334 0.000 2.569 348 F HA -0.047 4.480 4.527 -0.000 0.000 0.395 348 F C 1.612 177.417 175.800 0.008 0.000 1.028 348 F CA 1.480 59.485 58.000 0.009 0.000 1.158 348 F CB -0.863 38.178 39.000 0.069 0.000 1.023 348 F HN 0.473 nan 8.300 nan 0.000 0.547 349 H N -0.404 118.802 119.070 0.226 0.000 2.958 349 H HA -0.161 4.394 4.556 -0.000 0.000 0.274 349 H C 1.044 176.410 175.328 0.064 0.000 1.184 349 H CA 0.586 56.684 56.048 0.083 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 4.268 3.960 -0.000 0.000 0.273 350 G HA3 0.309 4.268 3.960 -0.000 0.000 0.273 350 G C 0.479 175.404 174.900 0.041 0.000 1.213 350 G CA 0.387 45.495 45.100 0.013 0.000 0.955 350 G HN 0.442 nan 8.290 nan 0.000 0.454 351 E N 2.083 122.306 120.200 0.038 0.000 2.791 351 E HA -0.219 4.131 4.350 -0.000 0.000 0.271 351 E C 0.163 176.814 176.600 0.084 0.000 1.044 351 E CA 0.512 56.931 56.400 0.032 0.000 0.814 351 E CB -0.791 28.904 29.700 -0.009 0.000 1.400 351 E HN 0.811 nan 8.360 nan 0.000 0.423 352 D N -2.265 118.233 120.400 0.164 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 0.320 0.000 0.995 352 D CB -0.927 40.141 40.800 0.447 0.000 1.108 352 D HN 0.419 nan 8.370 nan 0.000 0.421 353 R N 0.236 120.801 120.500 0.108 0.000 2.390 353 R HA 0.341 4.680 4.340 -0.000 0.000 0.291 353 R C 0.921 176.990 176.300 -0.385 0.000 1.070 353 R CA -0.140 55.838 56.100 -0.202 0.000 1.014 353 R CB 0.268 30.364 30.300 -0.339 0.000 1.007 353 R HN 0.354 nan 8.270 nan 0.000 0.466 354 Y N -1.705 118.101 120.300 -0.824 0.000 2.809 354 Y HA 0.493 5.043 4.550 -0.000 0.000 0.251 354 Y C -0.548 174.603 175.900 -1.248 0.000 1.136 354 Y CA -0.729 56.760 58.100 -1.017 0.000 1.185 354 Y CB 0.695 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 -0.666 113.960 115.700 -1.790 0.000 2.537 355 S HA 0.241 4.711 4.470 -0.000 0.000 0.271 355 S C -1.126 173.097 174.600 -0.627 0.000 1.148 355 S CA -0.674 56.952 58.200 -0.956 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 2.579 123.952 121.300 0.121 0.000 3.139 356 W HA 0.322 4.982 4.660 -0.000 0.000 0.260 356 W C 0.904 177.601 176.519 0.295 0.000 1.312 356 W CA -0.331 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 0.277 nan 8.180 nan 0.000 0.675 357 M N 1.193 120.987 119.600 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 0.158 0.000 1.180 357 M CA -0.012 55.416 55.300 0.212 0.000 1.103 357 M CB 1.242 33.902 32.600 0.100 0.000 1.577 357 M HN -0.247 nan 8.290 nan 0.000 0.459 358 K N 1.197 121.658 120.400 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 55.791 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 2.655 125.441 122.820 -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 -1.736 50.254 52.037 -0.077 0.000 0.887 359 A CB 0.199 19.186 19.000 -0.021 0.000 1.145 359 A HN 0.299 nan 8.150 nan 0.000 0.497 360 P HA 0.353 nan 4.420 nan 0.000 0.271 360 P C -0.392 176.620 177.300 -0.480 0.000 1.220 360 P CA -0.046 62.647 63.100 -0.678 0.000 0.768 360 P CB 0.665 31.421 31.700 -1.573 0.000 0.848 361 R N 2.471 122.903 120.500 -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 -1.253 54.989 56.100 0.237 0.000 0.899 361 R CB 0.736 31.174 30.300 0.230 0.000 1.173 361 R HN 0.451 nan 8.270 nan 0.000 0.456 362 Y N 2.517 123.136 120.300 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 -0.527 57.794 58.100 0.368 0.000 1.186 362 Y CB 0.750 39.131 38.460 -0.130 0.000 1.139 362 Y HN 0.729 nan 8.280 nan 0.000 0.494 363 K N 4.724 125.106 120.400 -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 -0.285 3.675 3.960 -0.000 0.000 0.264 364 G HA3 -0.285 3.675 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 0.817 46.062 45.100 0.240 0.000 0.642 364 G HN 0.485 nan 8.290 nan 0.000 0.536 365 E N -0.059 120.405 120.200 0.440 0.000 2.222 365 E HA 0.710 5.060 4.350 -0.000 0.000 0.267 365 E C 0.444 177.324 176.600 0.467 0.000 0.963 365 E CA -0.052 56.603 56.400 0.425 0.000 0.837 365 E CB 1.601 31.657 29.700 0.593 0.000 1.183 365 E HN 0.718 nan 8.360 nan 0.000 0.403 366 A N 1.993 124.961 122.820 0.246 0.000 2.363 366 A HA 0.558 4.878 4.320 -0.000 0.000 0.270 366 A C -0.846 176.834 177.584 0.160 0.000 1.121 366 A CA -0.016 52.158 52.037 0.229 0.000 0.800 366 A CB -0.013 19.027 19.000 0.067 0.000 1.052 366 A HN 0.437 nan 8.150 nan 0.000 0.493 367 F N -0.448 119.622 119.950 0.200 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 1.542 121.767 120.200 0.043 0.000 2.187 368 E HA 0.652 5.002 4.350 -0.000 0.000 0.268 368 E C -1.715 174.949 176.600 0.108 0.000 0.896 368 E CA -0.764 55.707 56.400 0.118 0.000 0.766 368 E CB 1.840 31.586 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 0.282 62.565 62.300 -0.027 0.000 0.982 369 V CB 1.075 32.770 31.823 -0.213 0.000 1.039 369 V HN 0.984 nan 8.190 nan 0.000 0.437 370 G N 2.359 111.164 108.800 0.007 0.000 2.315 370 G HA2 0.141 4.101 3.960 -0.000 0.000 0.296 370 G HA3 0.141 4.101 3.960 -0.000 0.000 0.296 370 G C -2.746 172.144 174.900 -0.017 0.000 1.289 370 G CA 0.045 45.151 45.100 0.011 0.000 0.996 370 G HN 0.609 nan 8.290 nan 0.000 0.487 371 P HA -0.038 nan 4.420 nan 0.000 0.215 371 P C 2.269 179.513 177.300 -0.094 0.000 1.157 371 P CA 1.486 64.551 63.100 -0.059 0.000 0.874 371 P CB 0.091 31.721 31.700 -0.117 0.000 0.790 372 L N -0.201 120.956 121.223 -0.109 0.000 1.989 372 L HA -0.145 4.195 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 57.020 54.840 -0.176 0.000 0.749 372 L CB -1.634 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 -1.554 121.249 122.820 -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 2.088 54.146 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 -0.387 115.270 115.700 -0.070 0.000 2.356 374 S HA -0.134 4.336 4.470 -0.000 0.000 0.223 374 S C 1.881 176.431 174.600 -0.082 0.000 1.032 374 S CA 1.497 59.651 58.200 -0.076 0.000 1.005 374 S CB -0.564 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 2.075 121.933 119.914 -0.093 0.000 2.427 375 V HA -0.108 4.012 4.120 -0.000 0.000 0.248 375 V C 2.148 178.185 176.094 -0.094 0.000 1.051 375 V CA 1.338 63.579 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 -0.697 120.429 121.223 -0.163 0.000 2.093 376 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 376 L C 2.444 179.305 176.870 -0.014 0.000 1.085 376 L CA 0.981 55.739 54.840 -0.137 0.000 0.755 376 L CB -0.456 41.386 42.059 -0.362 0.000 0.904 376 L HN 0.204 nan 8.230 nan 0.000 0.435 377 V N 0.015 119.906 119.914 -0.037 0.000 2.270 377 V HA -0.276 3.843 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 1.806 64.094 62.300 -0.021 0.000 1.014 377 V CB -0.877 30.913 31.823 -0.055 0.000 0.645 377 V HN 0.470 nan 8.190 nan 0.000 0.447 378 A N -0.736 122.060 122.820 -0.039 0.000 1.883 378 A HA -0.312 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 -0.894 18.024 19.000 -0.138 0.000 0.822 378 A HN 0.657 nan 8.150 nan 0.000 0.444 379 Y N 0.536 120.811 120.300 -0.040 0.000 2.145 379 Y HA -0.065 4.485 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 1.316 59.397 58.100 -0.031 0.000 1.148 379 Y CB -0.622 37.795 38.460 -0.071 0.000 0.981 379 Y HN 0.299 nan 8.280 nan 0.000 0.507 380 A N 0.146 122.934 122.820 -0.053 0.000 1.972 380 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 380 A C 2.055 179.582 177.584 -0.095 0.000 1.169 380 A CA 1.781 53.753 52.037 -0.108 0.000 0.635 380 A CB -0.520 18.485 19.000 0.008 0.000 0.810 380 A HN 0.503 nan 8.150 nan 0.000 0.446 381 K N -0.603 119.769 120.400 -0.047 0.000 2.458 381 K HA 0.103 4.422 4.320 -0.000 0.000 0.194 381 K C -0.476 176.107 176.600 -0.029 0.000 1.024 381 K CA 0.031 56.303 56.287 -0.025 0.000 1.108 381 K CB 0.056 32.554 32.500 -0.004 0.000 0.846 381 K HN 0.393 nan 8.250 nan 0.000 0.518 382 K N 0.925 121.280 120.400 -0.074 0.000 3.239 382 K HA -0.213 4.106 4.320 -0.000 0.000 0.270 382 K C -0.754 175.847 176.600 0.003 0.000 1.049 382 K CA 0.323 56.566 56.287 -0.072 0.000 0.769 382 K CB -1.900 30.554 32.500 -0.077 0.000 1.305 382 K HN 0.416 nan 8.250 nan 0.000 0.469 383 H N 1.090 120.124 119.070 -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 -0.017 55.991 56.048 -0.067 0.000 1.453 383 H CB 0.727 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 5.230 125.281 120.200 -0.249 0.000 2.086 384 E HA -0.170 4.180 4.350 -0.000 0.000 0.200 384 E C -0.801 175.704 176.600 -0.160 0.000 1.012 384 E CA 1.747 58.043 56.400 -0.173 0.000 0.812 384 E CB -0.847 28.768 29.700 -0.142 0.000 0.743 384 E HN 0.686 nan 8.360 nan 0.000 0.453 385 P HA -0.110 nan 4.420 nan 0.000 0.215 385 P C 1.502 178.804 177.300 0.002 0.000 1.157 385 P CA 1.616 64.645 63.100 -0.119 0.000 0.868 385 P CB -0.276 31.367 31.700 -0.095 0.000 0.788 386 T N -0.184 114.427 114.554 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 1.451 63.647 62.100 0.161 0.000 1.150 386 T CB -1.097 67.937 68.868 0.277 0.000 0.864 386 T HN -0.142 nan 8.240 nan 0.000 0.427 387 V N 1.513 121.531 119.914 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 1.630 64.077 62.300 0.246 0.000 1.027 387 V CB -0.500 31.396 31.823 0.121 0.000 0.646 387 V HN 0.454 nan 8.190 nan 0.000 0.447 388 K N -0.100 120.320 120.400 0.032 0.000 2.097 388 K HA -0.131 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 -0.347 32.140 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 2.317 179.828 177.584 -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 18.488 19.000 -0.060 0.000 0.821 389 A HN 0.060 nan 8.150 nan 0.000 0.443 390 V N 0.729 120.551 119.914 -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 2.382 64.509 62.300 -0.290 0.000 1.024 390 V CB -0.746 30.719 31.823 -0.596 0.000 0.648 390 V HN 0.518 nan 8.190 nan 0.000 0.447 391 D N -0.105 120.222 120.400 -0.120 0.000 2.104 391 D HA -0.190 4.450 4.640 -0.000 0.000 0.194 391 D C 1.985 178.234 176.300 -0.085 0.000 0.994 391 D CA 1.526 55.485 54.000 -0.069 0.000 0.830 391 D CB -0.467 40.329 40.800 -0.007 0.000 0.959 391 D HN 0.377 nan 8.370 nan 0.000 0.452 392 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 -0.034 119.795 119.914 -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 64.468 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 0.249 121.384 121.223 -0.148 0.000 2.127 394 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 394 L C 2.623 179.438 176.870 -0.092 0.000 1.089 394 L CA 1.902 56.669 54.840 -0.123 0.000 0.757 394 L CB -0.783 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 0.177 120.524 120.400 -0.088 0.000 2.103 395 K HA -0.120 4.200 4.320 -0.000 0.000 0.204 395 K C 1.867 178.421 176.600 -0.077 0.000 1.052 395 K CA 1.727 57.972 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 0.206 nan 8.250 nan 0.000 0.443 396 T N 1.768 116.266 114.554 -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 0.881 62.922 62.100 -0.099 0.000 1.139 396 T CB 0.056 68.857 68.868 -0.112 0.000 0.874 396 T HN 0.174 nan 8.240 nan 0.000 0.455 397 L N 0.402 121.560 121.223 -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 -0.038 54.739 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 1.742 110.497 108.800 -0.074 0.000 2.350 398 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.298 398 G HA3 -0.193 3.766 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 0.491 45.557 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 0.744 176.814 176.094 -0.039 0.000 1.234 399 V CA -0.195 62.082 62.300 -0.037 0.000 1.065 399 V CB 1.668 33.467 31.823 -0.039 0.000 1.088 399 V HN 1.316 nan 8.190 nan 0.000 0.451 400 G N -0.940 107.847 108.800 -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 -2.191 172.688 174.900 -0.035 0.000 1.315 400 G CA -1.301 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 -0.014 nan 4.420 nan 0.000 0.226 401 P C 1.319 178.602 177.300 -0.028 0.000 1.153 401 P CA 1.055 64.108 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 0.036 120.306 120.200 0.118 0.000 2.418 402 E HA -0.044 4.305 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 0.776 57.350 56.400 0.290 0.000 0.862 402 E CB -0.660 29.170 29.700 0.216 0.000 0.799 402 E HN 0.095 nan 8.360 nan 0.000 0.518 403 A N 1.094 123.939 122.820 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 -0.389 18.592 19.000 -0.032 0.000 0.808 403 A HN 0.317 nan 8.150 nan 0.000 0.455 404 L N -1.623 119.452 121.223 -0.246 0.000 2.201 404 L HA -0.055 4.285 4.340 -0.000 0.000 0.212 404 L C 0.494 177.084 176.870 -0.467 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 0.849 120.777 119.950 -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 -0.251 57.775 58.000 0.043 0.000 1.344 405 F CB -0.820 38.232 39.000 0.086 0.000 1.658 405 F HN 0.033 nan 8.300 nan 0.000 0.620 406 S N -2.717 113.075 115.700 0.153 0.000 2.727 406 S HA 0.310 4.780 4.470 -0.000 0.000 0.278 406 S C 0.614 175.306 174.600 0.153 0.000 1.186 406 S CA -0.580 57.722 58.200 0.170 0.000 0.836 406 S CB 1.238 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 1.086 115.785 114.554 0.242 0.000 2.904 407 T HA 0.010 4.360 4.350 -0.000 0.000 0.267 407 T C 1.655 176.475 174.700 0.199 0.000 1.059 407 T CA 1.386 63.647 62.100 0.269 0.000 1.137 407 T CB -0.529 68.639 68.868 0.501 0.000 0.879 407 T HN 0.435 nan 8.240 nan 0.000 0.467 408 L N 1.443 122.785 121.223 0.199 0.000 2.027 408 L HA 0.150 4.490 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 56.646 54.840 0.057 0.000 0.745 408 L CB -1.138 40.981 42.059 0.101 0.000 0.898 408 L HN 0.291 nan 8.230 nan 0.000 0.433 409 G N -1.191 107.586 108.800 -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 0.762 45.784 45.100 -0.131 0.000 0.767 409 G HN 0.385 nan 8.290 nan 0.000 0.550 410 R N -0.245 120.198 120.500 -0.095 0.000 2.148 410 R HA -0.037 4.303 4.340 -0.000 0.000 0.227 410 R C 2.329 178.574 176.300 -0.093 0.000 1.103 410 R CA 1.722 57.749 56.100 -0.121 0.000 0.983 410 R CB -0.184 30.019 30.300 -0.162 0.000 0.874 410 R HN 0.338 nan 8.270 nan 0.000 0.451 411 T N -0.266 114.264 114.554 -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 1.628 124.346 122.820 -0.170 0.000 1.897 412 A HA 0.307 4.627 4.320 -0.000 0.000 0.215 412 A C 2.622 180.061 177.584 -0.241 0.000 1.181 412 A CA 1.526 53.420 52.037 -0.238 0.000 0.620 412 A CB -1.055 17.805 19.000 -0.233 0.000 0.821 412 A HN 0.465 nan 8.150 nan 0.000 0.443 413 A N 0.034 122.723 122.820 -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 1.880 53.789 52.037 -0.213 0.000 0.636 413 A CB -0.505 18.367 19.000 -0.214 0.000 0.810 413 A HN 0.595 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 -0.049 4.290 4.340 -0.000 0.000 0.227 414 R C 2.115 178.206 176.300 -0.349 0.000 1.103 414 R CA 1.386 57.268 56.100 -0.364 0.000 0.983 414 R CB -0.563 29.571 30.300 -0.276 0.000 0.874 414 R HN 0.421 nan 8.270 nan 0.000 0.451 415 G N 0.743 109.367 108.800 -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 1.396 176.123 174.900 -0.287 0.000 1.154 415 G CA 0.542 45.369 45.100 -0.454 0.000 0.784 415 G HN 0.239 nan 8.290 nan 0.000 0.538 416 I N 0.420 120.858 120.570 -0.219 0.000 2.202 416 I HA -0.174 3.996 4.170 -0.000 0.000 0.242 416 I C 2.840 178.951 176.117 -0.009 0.000 1.091 416 I CA 1.566 62.790 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 0.378 0.000 0.976 417 Q CA 2.008 57.926 55.803 0.192 0.000 0.858 417 Q CB -0.302 28.540 28.738 0.172 0.000 0.907 417 Q HN 0.640 nan 8.270 nan 0.000 0.433 418 C N -0.274 119.213 119.300 0.311 0.000 2.446 418 C HA 0.012 4.472 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 0.589 59.925 59.018 0.531 0.000 1.763 418 C CB -0.923 27.164 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 0.179 0.000 2.249 419 L HA 0.099 4.439 4.340 -0.000 0.000 0.207 419 L C 2.715 179.658 176.870 0.122 0.000 1.090 419 L CA 2.590 57.498 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 0.540 nan 8.230 nan 0.000 0.453 420 T N -2.894 111.759 114.554 0.166 0.000 2.777 420 T HA -0.050 4.299 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 0.962 63.194 62.100 0.221 0.000 1.141 420 T CB -0.789 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 2.244 125.196 122.820 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 -0.885 122.003 122.820 0.114 0.000 1.948 422 A HA -0.259 4.061 4.320 -0.000 0.000 0.220 422 A C 2.115 179.751 177.584 0.087 0.000 1.177 422 A CA 1.938 54.076 52.037 0.167 0.000 0.636 422 A CB -0.572 18.538 19.000 0.184 0.000 0.815 422 A HN 0.682 nan 8.150 nan 0.000 0.449 423 Q N -1.466 118.327 119.800 -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 0.630 nan 8.270 nan 0.000 0.436 424 E N 0.010 119.871 120.200 -0.564 0.000 2.347 424 E HA -0.078 4.271 4.350 -0.000 0.000 0.196 424 E C 1.609 177.326 176.600 -1.472 0.000 1.008 424 E CA 0.287 55.979 56.400 -1.180 0.000 0.852 424 E CB 0.107 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 -0.919 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 2.005 63.928 62.300 -0.629 0.000 1.066 425 V CB -0.431 31.182 31.823 -0.351 0.000 0.667 425 V HN 0.271 nan 8.190 nan 0.000 0.461 426 E N 0.063 119.991 120.200 -0.454 0.000 2.077 426 E HA -0.178 4.171 4.350 -0.000 0.000 0.193 426 E C 2.101 178.544 176.600 -0.262 0.000 0.989 426 E CA 1.483 57.742 56.400 -0.235 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 -0.101 119.555 119.914 -0.429 0.000 2.261 427 V HA -0.251 3.869 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 1.934 64.006 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 4.142 4.340 -0.000 0.000 0.208 429 L C 1.929 178.781 176.870 -0.030 0.000 1.071 429 L CA 2.199 56.999 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 -0.253 nan 8.230 nan 0.000 0.431 430 D N -0.317 120.066 120.400 -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 1.523 55.514 54.000 -0.014 0.000 0.834 430 D CB -0.053 40.729 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 0.506 56.799 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 1.910 123.124 121.223 -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 -0.996 119.202 120.200 -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 1.038 57.447 56.400 0.015 0.000 0.804 433 E CB -0.109 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 1.066 123.894 122.820 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 1.167 53.212 52.037 0.014 0.000 0.628 434 A CB -0.355 18.652 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 1.580 177.105 175.510 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 0.908 120.838 119.914 0.026 0.000 2.548 436 V HA -0.137 3.983 4.120 -0.000 0.000 0.249 436 V C 2.062 178.176 176.094 0.032 0.000 1.055 436 V CA 1.307 63.629 62.300 0.036 0.000 1.065 436 V CB -0.293 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 0.530 120.947 120.400 0.027 0.000 2.097 437 K HA -0.063 4.256 4.320 -0.000 0.000 0.206 437 K C 2.009 178.622 176.600 0.021 0.000 1.049 437 K CA 1.436 57.737 56.287 0.024 0.000 0.933 437 K CB -0.385 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 4.466 4.320 -0.000 0.000 0.209 438 A C 1.452 179.049 177.584 0.021 0.000 1.171 438 A CA 0.999 53.047 52.037 0.019 0.000 0.768 438 A CB -0.615 18.396 19.000 0.018 0.000 0.790 438 A HN 0.452 nan 8.150 nan 0.000 0.478 439 G N -0.462 108.353 108.800 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 0.236 175.157 174.900 0.034 0.000 0.980 439 G CA 0.395 45.511 45.100 0.028 0.000 0.632 439 G HN 0.615 nan 8.290 nan 0.000 0.533 440 K N 1.533 121.954 120.400 0.034 0.000 2.228 440 K HA 0.328 4.648 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 0.433 56.744 56.287 0.040 0.000 0.941 440 K CB 0.515 33.033 32.500 0.031 0.000 1.158 440 K HN 0.455 nan 8.250 nan 0.000 0.438 441 D N 1.144 121.589 120.400 0.074 0.000 2.538 441 D HA 0.041 4.680 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 0.602 121.088 120.400 0.142 0.000 2.302 442 D HA 0.287 4.926 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 2.181 43.059 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 -0.521 176.427 176.870 0.131 0.000 1.154 443 L CA -0.223 54.636 54.840 0.032 0.000 0.972 443 L CB 0.522 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 0.345 120.681 120.300 0.060 0.000 2.492 444 Y HA 0.502 5.051 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 2.021 40.554 38.460 0.122 0.000 1.263 444 Y HN -0.236 nan 8.280 nan 0.000 0.454 445 T N 5.204 119.443 114.554 -0.525 0.000 2.824 445 T HA 0.264 4.614 4.350 -0.000 0.000 0.282 445 T C -1.149 173.293 174.700 -0.430 0.000 0.993 445 T CA -0.877 61.026 62.100 -0.327 0.000 0.967 445 T CB 0.965 69.740 68.868 -0.155 0.000 0.960 445 T HN 0.484 nan 8.240 nan 0.000 0.441 446 D N 2.929 123.242 120.400 -0.145 0.000 2.382 446 D HA 0.230 4.870 4.640 -0.000 0.000 0.240 446 D C -0.046 176.283 176.300 0.048 0.000 1.146 446 D CA 0.218 54.191 54.000 -0.045 0.000 0.897 446 D CB 0.811 41.611 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 -1.350 175.093 176.519 -0.126 0.000 1.243 447 W CA -0.738 56.529 57.345 -0.130 0.000 1.186 447 W CB 1.102 30.459 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 0.093 0.000 2.456 448 Q HA 0.326 4.666 4.340 -0.000 0.000 0.284 448 Q C -1.694 174.396 176.000 0.150 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 1.282 121.702 120.300 0.199 0.000 2.319 449 Y HA 0.266 4.815 4.550 -0.000 0.000 0.328 449 Y C -1.534 174.444 175.900 0.129 0.000 1.133 449 Y CA -1.404 56.838 58.100 0.236 0.000 1.265 449 Y CB 0.063 38.637 38.460 0.190 0.000 1.218 449 Y HN 0.326 nan 8.280 nan 0.000 0.508 450 P HA 0.086 nan 4.420 nan 0.000 0.273 450 P C 0.721 178.106 177.300 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 -1.033 113.570 114.554 0.082 0.000 2.652 451 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 451 T C 0.427 175.142 174.700 0.025 0.000 1.039 451 T CA 1.475 63.602 62.100 0.046 0.000 1.153 451 T CB -0.243 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 0.321 120.536 120.200 0.024 0.000 2.275 452 E HA 0.499 4.849 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 2.113 31.809 29.700 -0.007 0.000 1.195 452 E HN 0.352 nan 8.360 nan 0.000 0.419 453 S N 2.146 117.853 115.700 0.013 0.000 2.615 453 S HA 0.516 4.986 4.470 -0.000 0.000 0.269 453 S C -1.328 173.260 174.600 -0.021 0.000 1.161 453 S CA -1.077 57.128 58.200 0.008 0.000 0.817 453 S CB 1.927 65.159 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 -0.670 175.346 176.000 0.027 0.000 1.082 454 Q CA -1.210 54.541 55.803 -0.086 0.000 0.810 454 Q CB 1.936 30.432 28.738 -0.404 0.000 1.374 454 Q HN 1.217 nan 8.270 nan 0.000 0.422 455 G N 0.351 109.251 108.800 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 0.663 nan 8.290 nan 0.000 0.492 456 V N -0.114 119.614 119.914 -0.310 0.000 2.789 456 V HA 0.924 5.044 4.120 -0.000 0.000 0.311 456 V C 0.003 175.570 176.094 -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 5.033 113.259 108.800 -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 -1.467 172.918 174.900 -0.859 0.000 1.267 457 G CA -0.333 44.332 45.100 -0.724 0.000 0.937 457 G HN 0.476 nan 8.290 nan 0.000 0.481 458 F N 2.173 121.931 119.950 -0.320 0.000 2.426 458 F HA 0.557 5.083 4.527 -0.000 0.000 0.348 458 F C 0.150 175.790 175.800 -0.266 0.000 1.124 458 F CA -0.836 57.012 58.000 -0.253 0.000 1.008 458 F CB 2.337 41.236 39.000 -0.169 0.000 1.139 458 F HN 0.192 nan 8.300 nan 0.000 0.452 459 V N 3.342 123.206 119.914 -0.084 0.000 2.735 459 V HA 0.356 4.476 4.120 -0.000 0.000 0.310 459 V C -0.479 175.535 176.094 -0.134 0.000 1.061 459 V CA -1.096 61.099 62.300 -0.176 0.000 0.913 459 V CB 2.254 33.908 31.823 -0.282 0.000 1.005 459 V HN 0.694 nan 8.190 nan 0.000 0.428 460 N N 2.749 121.362 118.700 -0.146 0.000 2.699 460 N HA 0.464 5.204 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 1.402 39.832 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 0.296 4.615 4.320 -0.000 0.000 0.255 461 A C -1.272 176.206 177.584 -0.177 0.000 1.099 461 A CA -0.955 51.041 52.037 -0.069 0.000 0.801 461 A CB -0.040 18.904 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 0.796 178.010 177.300 -0.143 0.000 1.146 462 P CA 1.449 64.256 63.100 -0.488 0.000 0.813 462 P CB 0.064 31.489 31.700 -0.459 0.000 0.778 463 R N -1.595 118.869 120.500 -0.060 0.000 2.359 463 R HA 0.433 4.772 4.340 -0.000 0.000 0.231 463 R C 1.035 177.354 176.300 0.030 0.000 0.913 463 R CA 0.351 56.459 56.100 0.014 0.000 1.075 463 R CB 0.263 30.600 30.300 0.062 0.000 1.087 463 R HN 0.189 nan 8.270 nan 0.000 0.515 464 G N 0.774 109.564 108.800 -0.016 0.000 2.306 464 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.262 464 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.262 464 G C -0.931 173.935 174.900 -0.057 0.000 1.263 464 G CA -0.849 44.228 45.100 -0.038 0.000 1.088 464 G HN 0.031 nan 8.290 nan 0.000 0.489 465 M N 0.994 120.523 119.600 -0.118 0.000 2.435 465 M HA 0.424 4.904 4.480 -0.000 0.000 0.338 465 M C -0.580 175.760 176.300 0.066 0.000 1.628 465 M CA -0.187 55.038 55.300 -0.124 0.000 1.215 465 M CB -0.157 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 6.421 127.677 121.223 0.053 0.000 2.329 466 L HA 0.629 4.969 4.340 -0.000 0.000 0.279 466 L C -0.832 176.099 176.870 0.102 0.000 1.014 466 L CA 0.077 54.977 54.840 0.100 0.000 0.814 466 L CB 1.930 43.948 42.059 -0.067 0.000 1.257 466 L HN 0.694 nan 8.230 nan 0.000 0.424 467 S N 2.407 118.224 115.700 0.196 0.000 2.614 467 S HA 0.562 5.031 4.470 -0.000 0.000 0.275 467 S C -1.035 173.637 174.600 0.119 0.000 1.161 467 S CA -0.721 57.465 58.200 -0.024 0.000 0.969 467 S CB 0.694 63.938 63.200 0.073 0.000 1.059 467 S HN 0.770 nan 8.310 nan 0.000 0.482 468 H N 1.339 120.183 119.070 -0.376 0.000 2.476 468 H HA 0.410 4.966 4.556 -0.000 0.000 0.328 468 H C -1.381 173.590 175.328 -0.595 0.000 1.073 468 H CA -0.641 55.264 56.048 -0.238 0.000 1.229 468 H CB 1.026 30.755 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 -0.427 175.715 176.519 -0.628 0.000 1.037 469 W CA -0.568 56.461 57.345 -0.526 0.000 1.220 469 W CB 1.007 30.139 29.460 -0.547 0.000 1.361 469 W HN 0.338 nan 8.180 nan 0.000 0.468 470 I N 2.895 123.349 120.570 -0.194 0.000 2.689 470 I HA 0.699 4.869 4.170 -0.000 0.000 0.299 470 I C -1.338 174.839 176.117 0.100 0.000 1.059 470 I CA -1.272 59.907 61.300 -0.202 0.000 1.055 470 I CB 1.924 39.747 38.000 -0.295 0.000 1.243 470 I HN 0.107 nan 8.210 nan 0.000 0.425 471 V N 6.179 126.136 119.914 0.073 0.000 2.447 471 V HA 0.345 4.465 4.120 -0.000 0.000 0.292 471 V C -0.770 175.345 176.094 0.035 0.000 1.021 471 V CA -0.529 61.799 62.300 0.048 0.000 0.850 471 V CB 1.501 33.351 31.823 0.046 0.000 1.005 471 V HN 0.792 nan 8.190 nan 0.000 0.426 472 Q N 4.271 124.084 119.800 0.022 0.000 2.348 472 Q HA 0.850 5.190 4.340 -0.000 0.000 0.271 472 Q C -0.740 175.246 176.000 -0.023 0.000 1.067 472 Q CA -0.798 55.006 55.803 0.002 0.000 0.839 472 Q CB 2.424 31.171 28.738 0.014 0.000 1.354 472 Q HN 0.450 nan 8.270 nan 0.000 0.447 473 R N 0.958 121.426 120.500 -0.054 0.000 2.531 473 R HA 0.485 4.824 4.340 -0.000 0.000 0.293 473 R C -0.270 175.975 176.300 -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 31.113 30.300 -0.034 0.000 1.195 473 R HN 1.234 nan 8.270 nan 0.000 0.433 474 G N 1.756 110.494 108.800 -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 0.648 45.674 45.100 -0.124 0.000 0.713 474 G HN 1.612 nan 8.290 nan 0.000 0.515 475 G N -1.738 106.720 108.800 -0.570 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 -0.432 0.000 1.024 475 G CA 1.200 45.636 45.100 -1.106 0.000 0.755 475 G HN 1.176 nan 8.290 nan 0.000 0.507 476 K N -0.342 119.910 120.400 -0.247 0.000 2.427 476 K HA 0.671 4.991 4.320 -0.000 0.000 0.252 476 K C 0.379 176.945 176.600 -0.057 0.000 0.931 476 K CA -0.940 55.284 56.287 -0.106 0.000 0.793 476 K CB 1.366 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 3.468 124.033 120.570 -0.008 0.000 2.471 477 I HA 0.023 4.192 4.170 -0.000 0.000 0.286 477 I C 1.134 177.267 176.117 0.026 0.000 1.079 477 I CA 0.101 61.427 61.300 0.044 0.000 1.398 477 I CB 0.840 38.894 38.000 0.089 0.000 1.403 477 I HN 0.529 nan 8.210 nan 0.000 0.530 478 E N 3.763 123.982 120.200 0.031 0.000 2.162 478 E HA 0.106 4.456 4.350 -0.000 0.000 0.193 478 E C 0.013 176.635 176.600 0.037 0.000 0.953 478 E CA 0.691 57.102 56.400 0.019 0.000 0.849 478 E CB 0.190 29.895 29.700 0.008 0.000 0.810 478 E HN 0.512 nan 8.360 nan 0.000 0.470 479 N N -0.728 118.011 118.700 0.066 0.000 2.371 479 N HA 0.229 4.969 4.740 -0.000 0.000 0.280 479 N C -2.096 173.495 175.510 0.134 0.000 1.084 479 N CA -0.478 52.622 53.050 0.084 0.000 0.892 479 N CB 1.218 39.740 38.487 0.059 0.000 1.653 479 N HN -0.144 nan 8.380 nan 0.000 0.480 480 F N 2.474 122.437 119.950 0.021 0.000 2.745 480 F HA 0.416 4.942 4.527 -0.000 0.000 0.343 480 F C -0.982 174.811 175.800 -0.012 0.000 1.196 480 F CA -0.398 57.609 58.000 0.011 0.000 1.021 480 F CB 1.102 40.081 39.000 -0.034 0.000 1.297 480 F HN 0.236 nan 8.300 nan 0.000 0.486 481 Q N 6.579 126.434 119.800 0.092 0.000 2.333 481 Q HA 0.586 4.925 4.340 -0.000 0.000 0.267 481 Q C -1.046 175.016 176.000 0.103 0.000 1.012 481 Q CA -0.739 55.107 55.803 0.072 0.000 0.824 481 Q CB 3.036 31.729 28.738 -0.075 0.000 1.290 481 Q HN 0.659 nan 8.270 nan 0.000 0.449 482 L N 0.732 121.965 121.223 0.016 0.000 2.322 482 L HA 0.714 5.054 4.340 -0.000 0.000 0.281 482 L C -0.249 176.658 176.870 0.061 0.000 1.014 482 L CA -1.240 53.546 54.840 -0.089 0.000 0.815 482 L CB 1.406 43.153 42.059 -0.520 0.000 1.247 482 L HN 0.137 nan 8.230 nan 0.000 0.421 483 V N 3.824 123.886 119.914 0.246 0.000 2.380 483 V HA 0.359 4.479 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 33.860 31.823 0.257 0.000 1.009 483 V HN 0.548 nan 8.190 nan 0.000 0.428 484 V N 6.896 127.031 119.914 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 1.495 179.011 177.300 0.360 0.000 1.157 485 P CA 1.498 64.820 63.100 0.370 0.000 0.874 485 P CB 0.188 32.001 31.700 0.189 0.000 0.790 486 S N -0.820 115.047 115.700 0.278 0.000 2.500 486 S HA -0.066 4.404 4.470 -0.000 0.000 0.239 486 S C 1.765 176.493 174.600 0.213 0.000 0.989 486 S CA 1.525 59.863 58.200 0.229 0.000 0.951 486 S CB -1.095 62.223 63.200 0.197 0.000 0.759 486 S HN 0.353 nan 8.310 nan 0.000 0.523 487 T N 0.393 115.086 114.554 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 0.727 62.898 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 2.301 123.672 121.300 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 0.586 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 0.176 119.061 118.700 0.307 0.000 2.069 489 N HA -0.126 4.614 4.740 -0.000 0.000 0.191 489 N C 1.395 176.860 175.510 -0.075 0.000 1.031 489 N CA 1.457 54.562 53.050 0.090 0.000 0.852 489 N CB -0.871 37.694 38.487 0.129 0.000 1.018 489 N HN 0.157 nan 8.380 nan 0.000 0.423 490 L N 0.040 121.260 121.223 -0.005 0.000 2.769 490 L HA 0.334 4.674 4.340 -0.000 0.000 0.240 490 L C 1.170 178.049 176.870 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 0.384 109.191 108.800 0.012 0.000 2.599 491 G HA2 0.383 4.342 3.960 -0.000 0.000 0.264 491 G HA3 0.383 4.342 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 -0.766 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 0.232 nan 4.420 nan 0.000 0.302 492 P C -0.127 177.119 177.300 -0.091 0.000 1.301 492 P CA -0.608 62.354 63.100 -0.230 0.000 0.745 492 P CB 0.903 32.099 31.700 -0.840 0.000 1.331 493 R N -1.146 119.319 120.500 -0.057 0.000 2.637 493 R HA 0.263 4.603 4.340 -0.000 0.000 0.269 493 R C 0.549 176.884 176.300 0.058 0.000 1.089 493 R CA -0.248 55.817 56.100 -0.058 0.000 1.177 493 R CB -0.278 29.882 30.300 -0.234 0.000 1.091 493 R HN 0.619 nan 8.270 nan 0.000 0.540 494 C N -1.140 118.151 119.300 -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 0.053 0.000 1.609 494 C CA -0.249 58.670 59.018 -0.164 0.000 1.916 494 C CB 0.381 27.745 27.740 -0.627 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 53.900 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 -1.005 119.189 120.200 -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 -0.417 29.277 29.700 -0.011 0.000 0.966 496 E HN 0.666 nan 8.360 nan 0.000 0.491 497 G N 1.578 110.427 108.800 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 -0.161 174.708 174.900 -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 0.303 176.856 176.600 -0.079 0.000 1.022 498 K CA -0.826 55.425 56.287 -0.061 0.000 0.946 498 K CB 1.446 33.925 32.500 -0.035 0.000 1.000 498 K HN 0.067 nan 8.250 nan 0.000 0.468 499 L N 2.210 123.378 121.223 -0.092 0.000 2.380 499 L HA -0.001 4.339 4.340 -0.000 0.000 0.273 499 L C 0.793 177.624 176.870 -0.065 0.000 1.138 499 L CA 0.543 55.319 54.840 -0.106 0.000 0.832 499 L CB 0.987 42.963 42.059 -0.138 0.000 1.124 499 L HN 0.792 nan 8.230 nan 0.000 0.454 500 S N 2.467 118.135 115.700 -0.054 0.000 2.608 500 S HA 0.360 4.830 4.470 -0.000 0.000 0.261 500 S C 1.343 175.913 174.600 -0.051 0.000 1.314 500 S CA -0.166 58.018 58.200 -0.026 0.000 0.992 500 S CB 0.902 64.087 63.200 -0.024 0.000 0.935 500 S HN 0.732 nan 8.310 nan 0.000 0.564 501 A N 0.683 123.480 122.820 -0.038 0.000 1.940 501 A HA -0.049 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 1.763 53.770 52.037 -0.049 0.000 0.631 501 A CB -1.272 17.759 19.000 0.052 0.000 0.814 501 A HN 0.991 nan 8.150 nan 0.000 0.446 502 V N -0.105 119.586 119.914 -0.372 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 -0.428 0.000 0.664 502 V HN 0.731 nan 8.190 nan 0.000 0.453 503 E N -0.512 119.619 120.200 -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 29.410 29.700 -0.157 0.000 0.746 503 E HN 0.564 nan 8.360 nan 0.000 0.450 504 Q N 0.594 120.348 119.800 -0.075 0.000 2.119 504 Q HA -0.061 4.279 4.340 -0.000 0.000 0.201 504 Q C 1.892 177.901 176.000 0.015 0.000 0.972 504 Q CA 1.661 57.438 55.803 -0.045 0.000 0.847 504 Q CB -0.307 28.405 28.738 -0.043 0.000 0.903 504 Q HN 0.256 nan 8.270 nan 0.000 0.433 505 A N -0.063 122.801 122.820 0.074 0.000 2.019 505 A HA -0.096 4.223 4.320 -0.000 0.000 0.219 505 A C 2.028 179.691 177.584 0.131 0.000 1.164 505 A CA 1.067 53.202 52.037 0.165 0.000 0.644 505 A CB -0.585 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 -0.621 120.647 121.223 0.075 0.000 2.072 506 L HA -0.043 4.297 4.340 -0.000 0.000 0.205 506 L C 0.205 177.095 176.870 0.033 0.000 1.079 506 L CA 0.048 54.927 54.840 0.066 0.000 0.752 506 L CB -0.474 41.601 42.059 0.028 0.000 0.906 506 L HN 0.229 nan 8.230 nan 0.000 0.436 507 I N 0.676 121.241 120.570 -0.009 0.000 2.821 507 I HA -0.008 4.162 4.170 -0.000 0.000 0.294 507 I C 1.366 177.478 176.117 -0.007 0.000 1.210 507 I CA 1.310 62.593 61.300 -0.029 0.000 1.430 507 I CB 0.026 37.992 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 0.120 45.210 45.100 -0.016 0.000 0.618 508 G HN 0.680 nan 8.290 nan 0.000 0.516 509 T N 4.690 119.244 114.554 0.001 0.000 2.908 509 T HA 0.436 4.786 4.350 -0.000 0.000 0.301 509 T C -1.912 172.789 174.700 0.000 0.000 1.019 509 T CA 0.470 62.569 62.100 -0.001 0.000 1.152 509 T CB 1.588 70.512 68.868 0.094 0.000 0.966 509 T HN 0.392 nan 8.240 nan 0.000 0.540 510 P HA 0.380 nan 4.420 nan 0.000 0.285 510 P C -0.806 176.529 177.300 0.058 0.000 1.259 510 P CA -0.509 62.589 63.100 -0.003 0.000 0.794 510 P CB 0.797 32.471 31.700 -0.044 0.000 0.940 511 I N 2.432 123.041 120.570 0.064 0.000 2.382 511 I HA 0.253 4.423 4.170 -0.000 0.000 0.285 511 I C 1.367 177.531 176.117 0.079 0.000 1.007 511 I CA -0.851 60.502 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 5.077 127.968 122.820 0.117 0.000 1.825 512 A HA -0.116 4.204 4.320 -0.000 0.000 0.214 512 A C 0.745 178.341 177.584 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 0.710 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 5.093 4.640 -0.000 0.000 0.231 513 D C -2.312 173.978 176.300 -0.016 0.000 1.073 513 D CA -2.257 51.709 54.000 -0.057 0.000 0.850 513 D CB 1.500 42.188 40.800 -0.185 0.000 1.062 513 D HN -0.063 nan 8.370 nan 0.000 0.524 514 P HA -0.040 nan 4.420 nan 0.000 0.226 514 P C 0.682 177.965 177.300 -0.028 0.000 1.153 514 P CA 0.687 63.783 63.100 -0.006 0.000 0.777 514 P CB 0.456 32.160 31.700 0.007 0.000 0.794 515 K N -0.818 119.556 120.400 -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 0.163 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 0.600 120.964 120.500 -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 -0.969 54.736 56.100 -0.659 0.000 1.596 516 R CB 1.395 31.523 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 0.695 177.980 177.300 -0.025 0.000 1.847 517 P CA -0.085 62.947 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 2.790 122.674 119.914 -0.050 0.000 2.759 518 V HA -0.209 3.911 4.120 -0.000 0.000 0.256 518 V C 1.817 177.880 176.094 -0.051 0.000 1.080 518 V CA 1.938 64.262 62.300 0.040 0.000 1.101 518 V CB -0.676 31.107 31.823 -0.068 0.000 0.698 518 V HN 0.221 nan 8.190 nan 0.000 0.477 519 E N 0.170 120.396 120.200 0.043 0.000 2.204 519 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 519 E C 1.911 178.627 176.600 0.193 0.000 0.989 519 E CA 1.404 57.922 56.400 0.197 0.000 0.824 519 E CB -0.226 29.709 29.700 0.392 0.000 0.756 519 E HN 0.635 nan 8.360 nan 0.000 0.477 520 I N -0.008 120.642 120.570 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 0.540 61.916 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 4.184 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 41.530 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 0.295 114.983 114.554 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 1.237 63.533 62.100 0.327 0.000 1.145 523 T CB -0.136 68.939 68.868 0.345 0.000 0.866 523 T HN -0.036 nan 8.240 nan 0.000 0.427 524 V N 1.129 121.160 119.914 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 -0.714 31.089 31.823 -0.034 0.000 0.646 524 V HN 0.640 nan 8.190 nan 0.000 0.447 525 H N 0.128 119.287 119.070 0.148 0.000 2.457 525 H HA -0.101 4.455 4.556 -0.000 0.000 0.294 525 H C 2.430 177.721 175.328 -0.062 0.000 1.064 525 H CA 1.237 57.314 56.048 0.049 0.000 1.330 525 H CB 0.006 29.734 29.762 -0.057 0.000 1.395 525 H HN 0.600 nan 8.280 nan 0.000 0.541 526 S N -0.037 115.730 115.700 0.112 0.000 2.442 526 S HA -0.202 4.268 4.470 -0.000 0.000 0.236 526 S C 1.475 176.030 174.600 -0.074 0.000 1.007 526 S CA 0.921 59.145 58.200 0.039 0.000 0.965 526 S CB -0.410 62.878 63.200 0.146 0.000 0.773 526 S HN 0.439 nan 8.310 nan 0.000 0.504 527 Y N 1.592 121.929 120.300 0.062 0.000 2.546 527 Y HA 0.197 4.746 4.550 -0.000 0.000 0.287 527 Y C 0.740 176.631 175.900 -0.016 0.000 1.158 527 Y CA 0.162 58.288 58.100 0.043 0.000 1.307 527 Y CB -0.162 38.344 38.460 0.077 0.000 1.036 527 Y HN 0.211 nan 8.280 nan 0.000 0.532 528 D N 0.185 120.614 120.400 0.048 0.000 2.737 528 D HA -0.147 4.493 4.640 -0.000 0.000 0.238 528 D C -2.703 173.664 176.300 0.113 0.000 1.157 528 D CA -0.091 53.873 54.000 -0.060 0.000 0.694 528 D CB -0.305 40.262 40.800 -0.388 0.000 1.021 528 D HN 0.131 nan 8.370 nan 0.000 0.420 529 P HA 0.081 nan 4.420 nan 0.000 0.267 529 P C -0.094 177.295 177.300 0.148 0.000 1.200 529 P CA -0.393 62.801 63.100 0.157 0.000 0.772 529 P CB 1.006 32.786 31.700 0.132 0.000 0.855 530 C N 4.937 124.326 119.300 0.148 0.000 2.654 530 C HA 0.293 4.752 4.460 -0.000 0.000 0.315 530 C C 1.352 176.435 174.990 0.155 0.000 1.054 530 C CA -0.387 58.721 59.018 0.149 0.000 1.419 530 C CB -1.355 26.483 27.740 0.164 0.000 1.889 530 C HN 0.442 nan 8.230 nan 0.000 0.447 531 I N 3.591 124.241 120.570 0.135 0.000 2.439 531 I HA 0.019 4.188 4.170 -0.000 0.000 0.251 531 I C 2.536 178.744 176.117 0.151 0.000 1.139 531 I CA 1.746 63.135 61.300 0.148 0.000 1.438 531 I CB -0.994 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 -0.223 4.097 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 1.918 54.029 52.037 0.124 0.000 0.623 532 A CB -1.272 17.793 19.000 0.108 0.000 0.818 532 A HN 0.488 nan 8.150 nan 0.000 0.443 533 C N -1.258 118.165 119.300 0.206 0.000 2.476 533 C HA 0.088 4.548 4.460 -0.000 0.000 0.278 533 C C 3.028 178.241 174.990 0.371 0.000 1.274 533 C CA 0.619 59.818 59.018 0.301 0.000 1.713 533 C CB -1.478 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 -0.193 108.762 108.800 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 1.510 176.458 174.900 0.079 0.000 1.135 534 G CA 1.585 46.818 45.100 0.221 0.000 0.767 534 G HN 0.442 nan 8.290 nan 0.000 0.550 535 V N 0.885 120.790 119.914 -0.014 0.000 2.922 535 V HA 0.149 4.269 4.120 -0.000 0.000 0.242 535 V C 1.091 176.798 176.094 -0.646 0.000 1.094 535 V CA 0.541 62.724 62.300 -0.195 0.000 1.106 535 V CB -0.648 31.244 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