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 1yq9_1_H DATA FIRST_RESID 7 DATA SEQUENCE NKIVVDPITR IEGHLRIEVE VEGGKIKNAW SMSTLFRGLE MILKGRDPRD DATA SEQUENCE AQHFTQRACG VCTYVHALAS VRAVDNCVGV KIPENATLMR NLTMGAQYMH DATA SEQUENCE DHLVHFYHLH ALDWVNVANA LNADPAKAAR LANDLSPRKT 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 WYEGADAHHP 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 0.000 175.525 175.510 0.026 0.000 1.280 7 N CA 0.000 53.060 53.050 0.016 0.000 0.885 7 N CB 0.000 38.497 38.487 0.017 0.000 1.341 8 K N 3.515 123.926 120.400 0.018 0.000 2.206 8 K HA 0.548 4.868 4.320 -0.000 0.000 0.264 8 K C -0.904 175.717 176.600 0.034 0.000 0.967 8 K CA -0.476 55.825 56.287 0.023 0.000 0.844 8 K CB 1.126 33.621 32.500 -0.008 0.000 1.099 8 K HN 0.508 nan 8.250 nan 0.000 0.441 9 I N 2.795 123.397 120.570 0.053 0.000 2.474 9 I HA 0.322 4.492 4.170 -0.000 0.000 0.294 9 I C -0.442 175.718 176.117 0.072 0.000 1.005 9 I CA -1.161 60.173 61.300 0.057 0.000 1.113 9 I CB 2.112 40.146 38.000 0.057 0.000 1.289 9 I HN 0.131 nan 8.210 nan 0.000 0.436 10 V N 7.479 127.438 119.914 0.075 0.000 2.588 10 V HA 0.527 4.647 4.120 -0.000 0.000 0.304 10 V C -0.935 175.222 176.094 0.106 0.000 1.042 10 V CA -0.349 62.005 62.300 0.091 0.000 0.877 10 V CB 2.181 34.059 31.823 0.092 0.000 0.996 10 V HN 0.419 nan 8.190 nan 0.000 0.425 11 V N 6.015 125.998 119.914 0.115 0.000 2.326 11 V HA 0.639 4.759 4.120 -0.000 0.000 0.281 11 V C -0.861 175.312 176.094 0.131 0.000 1.015 11 V CA -0.301 62.078 62.300 0.131 0.000 0.823 11 V CB 1.343 33.246 31.823 0.134 0.000 1.009 11 V HN 0.938 nan 8.190 nan 0.000 0.436 12 D N 5.415 125.897 120.400 0.137 0.000 2.452 12 D HA 0.458 5.098 4.640 -0.000 0.000 0.226 12 D C -2.527 173.857 176.300 0.141 0.000 1.366 12 D CA -0.623 53.467 54.000 0.150 0.000 0.986 12 D CB 2.460 43.362 40.800 0.171 0.000 1.420 12 D HN 0.432 nan 8.370 nan 0.000 0.583 13 P HA 0.468 nan 4.420 nan 0.000 0.286 13 P C -0.128 177.247 177.300 0.124 0.000 1.261 13 P CA -0.695 62.495 63.100 0.149 0.000 0.821 13 P CB 1.181 32.975 31.700 0.156 0.000 1.013 14 I N 2.615 123.262 120.570 0.127 0.000 2.517 14 I HA 0.053 4.223 4.170 -0.000 0.000 0.285 14 I C 1.361 177.551 176.117 0.122 0.000 1.106 14 I CA 0.368 61.734 61.300 0.110 0.000 1.402 14 I CB 0.457 38.515 38.000 0.098 0.000 1.399 14 I HN 0.549 nan 8.210 nan 0.000 0.535 15 T N 3.262 117.890 114.554 0.124 0.000 2.910 15 T HA 0.469 4.819 4.350 -0.000 0.000 0.279 15 T C 0.686 175.498 174.700 0.186 0.000 0.989 15 T CA -0.828 61.337 62.100 0.109 0.000 0.968 15 T CB 1.108 70.001 68.868 0.043 0.000 1.135 15 T HN 0.624 nan 8.240 nan 0.000 0.562 16 R N -0.131 120.420 120.500 0.085 0.000 3.516 16 R HA -0.148 4.192 4.340 -0.000 0.000 0.271 16 R C 0.063 176.401 176.300 0.064 0.000 1.098 16 R CA 0.941 57.047 56.100 0.010 0.000 0.732 16 R CB -2.162 28.040 30.300 -0.162 0.000 1.152 16 R HN 0.789 nan 8.270 nan 0.000 0.455 17 I N -4.830 115.822 120.570 0.137 0.000 3.322 17 I HA 0.547 4.717 4.170 -0.000 0.000 0.313 17 I C -0.156 176.020 176.117 0.098 0.000 1.129 17 I CA -1.181 60.217 61.300 0.163 0.000 0.963 17 I CB 1.866 39.987 38.000 0.202 0.000 1.273 17 I HN -0.238 nan 8.210 nan 0.000 0.473 18 E N 1.549 121.809 120.200 0.100 0.000 2.200 18 E HA 0.558 4.908 4.350 -0.000 0.000 0.283 18 E C 0.047 176.652 176.600 0.009 0.000 1.015 18 E CA 0.837 57.270 56.400 0.054 0.000 0.819 18 E CB 1.089 30.842 29.700 0.088 0.000 1.081 18 E HN 1.013 nan 8.360 nan 0.000 0.397 19 G N 4.208 112.936 108.800 -0.121 0.000 2.627 19 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.214 19 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.214 19 G C -0.938 173.749 174.900 -0.354 0.000 1.331 19 G CA -0.646 44.294 45.100 -0.266 0.000 0.891 19 G HN 0.678 nan 8.290 nan 0.000 0.539 20 H N -0.270 118.887 119.070 0.145 0.000 2.691 20 H HA 0.566 5.122 4.556 -0.000 0.000 0.281 20 H C -0.329 175.110 175.328 0.184 0.000 1.121 20 H CA -0.339 55.805 56.048 0.159 0.000 1.254 20 H CB 1.099 30.958 29.762 0.162 0.000 1.390 20 H HN 0.492 nan 8.280 nan 0.000 0.491 21 L N 3.076 124.439 121.223 0.234 0.000 2.346 21 L HA 0.459 4.799 4.340 -0.000 0.000 0.276 21 L C -0.149 176.830 176.870 0.182 0.000 1.006 21 L CA -0.623 54.337 54.840 0.199 0.000 0.817 21 L CB 1.663 43.814 42.059 0.153 0.000 1.272 21 L HN 0.493 nan 8.230 nan 0.000 0.421 22 R N 5.542 126.138 120.500 0.160 0.000 2.513 22 R HA 0.592 4.932 4.340 -0.000 0.000 0.301 22 R C -1.699 174.663 176.300 0.104 0.000 0.968 22 R CA -0.712 55.465 56.100 0.130 0.000 0.872 22 R CB 1.182 31.548 30.300 0.111 0.000 1.177 22 R HN 0.587 nan 8.270 nan 0.000 0.444 23 I N 3.715 124.348 120.570 0.106 0.000 2.354 23 I HA 0.304 4.474 4.170 -0.000 0.000 0.292 23 I C -0.148 176.039 176.117 0.116 0.000 0.989 23 I CA -0.455 60.910 61.300 0.107 0.000 1.188 23 I CB 1.637 39.693 38.000 0.095 0.000 1.342 23 I HN 0.690 nan 8.210 nan 0.000 0.457 24 E N 5.531 125.820 120.200 0.149 0.000 2.158 24 E HA 0.575 4.925 4.350 -0.000 0.000 0.271 24 E C -0.847 175.933 176.600 0.300 0.000 0.911 24 E CA -0.629 55.870 56.400 0.166 0.000 0.767 24 E CB 2.803 32.546 29.700 0.072 0.000 1.120 24 E HN 0.472 nan 8.360 nan 0.000 0.405 25 V N -0.251 119.797 119.914 0.223 0.000 2.962 25 V HA 0.539 4.659 4.120 -0.000 0.000 0.313 25 V C -0.526 175.694 176.094 0.209 0.000 1.099 25 V CA -0.944 61.495 62.300 0.231 0.000 0.971 25 V CB 2.084 33.979 31.823 0.121 0.000 1.028 25 V HN 0.608 nan 8.190 nan 0.000 0.430 26 E N 1.502 121.836 120.200 0.222 0.000 2.191 26 E HA 0.721 5.071 4.350 -0.000 0.000 0.278 26 E C -1.415 175.231 176.600 0.076 0.000 0.972 26 E CA -0.624 55.866 56.400 0.149 0.000 0.804 26 E CB 2.241 32.053 29.700 0.186 0.000 1.110 26 E HN 0.691 nan 8.360 nan 0.000 0.394 27 V N 2.923 122.869 119.914 0.053 0.000 2.769 27 V HA 0.449 4.569 4.120 -0.000 0.000 0.312 27 V C -0.591 175.516 176.094 0.023 0.000 1.061 27 V CA -0.644 61.676 62.300 0.034 0.000 0.931 27 V CB 2.048 33.890 31.823 0.033 0.000 1.010 27 V HN 0.712 nan 8.190 nan 0.000 0.433 28 E N 1.845 122.054 120.200 0.015 0.000 2.311 28 E HA 0.501 4.851 4.350 -0.000 0.000 0.281 28 E C 0.406 177.010 176.600 0.005 0.000 0.905 28 E CA 0.150 56.556 56.400 0.009 0.000 0.778 28 E CB 1.678 31.382 29.700 0.007 0.000 1.240 28 E HN 1.102 nan 8.360 nan 0.000 0.410 29 G N 2.743 111.546 108.800 0.005 0.000 2.203 29 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.263 29 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.263 29 G C 0.886 175.789 174.900 0.005 0.000 1.012 29 G CA 0.660 45.762 45.100 0.004 0.000 0.749 29 G HN 1.620 nan 8.290 nan 0.000 0.512 30 G N -1.715 107.090 108.800 0.009 0.000 2.147 30 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.244 30 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.244 30 G C 0.100 175.007 174.900 0.011 0.000 1.005 30 G CA 1.231 46.339 45.100 0.012 0.000 0.713 30 G HN 1.114 nan 8.290 nan 0.000 0.515 31 K N -0.742 119.662 120.400 0.007 0.000 2.469 31 K HA 0.594 4.914 4.320 -0.000 0.000 0.254 31 K C 0.185 176.788 176.600 0.005 0.000 0.939 31 K CA -1.150 55.138 56.287 0.001 0.000 0.812 31 K CB 2.033 34.526 32.500 -0.011 0.000 1.301 31 K HN 0.117 nan 8.250 nan 0.000 0.433 32 I N 3.341 123.915 120.570 0.006 0.000 2.598 32 I HA -0.070 4.100 4.170 -0.000 0.000 0.284 32 I C 1.363 177.471 176.117 -0.015 0.000 1.140 32 I CA 0.561 61.865 61.300 0.007 0.000 1.420 32 I CB 0.443 38.451 38.000 0.013 0.000 1.387 32 I HN 0.689 nan 8.210 nan 0.000 0.553 33 K N 3.875 124.266 120.400 -0.015 0.000 2.360 33 K HA 0.257 4.577 4.320 -0.000 0.000 0.196 33 K C 0.385 176.933 176.600 -0.087 0.000 1.049 33 K CA -0.071 56.194 56.287 -0.037 0.000 1.049 33 K CB 0.527 33.017 32.500 -0.018 0.000 0.881 33 K HN 0.508 nan 8.250 nan 0.000 0.542 34 N N -0.143 118.489 118.700 -0.113 0.000 2.823 34 N HA 0.562 5.302 4.740 -0.000 0.000 0.251 34 N C -2.172 173.105 175.510 -0.387 0.000 1.392 34 N CA -0.288 52.572 53.050 -0.316 0.000 0.864 34 N CB 2.317 40.591 38.487 -0.354 0.000 1.481 34 N HN 0.217 nan 8.380 nan 0.000 0.508 35 A N 0.522 122.861 122.820 -0.801 0.000 2.604 35 A HA 0.702 5.022 4.320 -0.000 0.000 0.295 35 A C -2.050 175.069 177.584 -0.775 0.000 1.067 35 A CA -0.690 51.063 52.037 -0.473 0.000 0.683 35 A CB 1.337 20.209 19.000 -0.213 0.000 1.281 35 A HN 0.423 nan 8.150 nan 0.000 0.407 36 W N 1.088 122.272 121.300 -0.193 0.000 2.900 36 W HA 0.507 5.167 4.660 -0.000 0.000 0.336 36 W C -0.070 176.375 176.519 -0.123 0.000 1.064 36 W CA -0.565 56.574 57.345 -0.343 0.000 1.237 36 W CB 2.388 31.487 29.460 -0.602 0.000 1.391 36 W HN 0.739 nan 8.180 nan 0.000 0.468 37 S N 4.359 120.192 115.700 0.221 0.000 2.410 37 S HA 0.584 5.054 4.470 -0.000 0.000 0.304 37 S C -0.406 174.360 174.600 0.277 0.000 1.095 37 S CA -0.385 57.937 58.200 0.202 0.000 1.089 37 S CB -0.070 63.208 63.200 0.130 0.000 0.968 37 S HN 0.426 nan 8.310 nan 0.000 0.480 38 M N 4.323 124.032 119.600 0.182 0.000 2.044 38 M HA 0.313 4.793 4.480 -0.000 0.000 0.333 38 M C -0.392 176.005 176.300 0.162 0.000 1.004 38 M CA -0.351 55.024 55.300 0.125 0.000 0.954 38 M CB 1.700 34.274 32.600 -0.044 0.000 1.468 38 M HN 0.393 nan 8.290 nan 0.000 0.414 39 S N 1.371 117.198 115.700 0.211 0.000 2.475 39 S HA 0.336 4.806 4.470 -0.000 0.000 0.281 39 S C 0.956 175.889 174.600 0.555 0.000 1.198 39 S CA -0.653 57.748 58.200 0.335 0.000 1.063 39 S CB 0.742 64.137 63.200 0.326 0.000 0.972 39 S HN 0.782 nan 8.310 nan 0.000 0.486 40 T N 0.168 115.053 114.554 0.553 0.000 3.182 40 T HA 0.384 4.734 4.350 -0.000 0.000 0.277 40 T C -0.192 174.825 174.700 0.528 0.000 1.013 40 T CA -0.306 62.195 62.100 0.668 0.000 0.900 40 T CB -0.360 68.822 68.868 0.524 0.000 1.098 40 T HN 0.334 nan 8.240 nan 0.000 0.543 41 L N 1.271 122.750 121.223 0.427 0.000 2.385 41 L HA 0.831 5.171 4.340 -0.000 0.000 0.273 41 L C -1.666 175.183 176.870 -0.035 0.000 0.990 41 L CA -1.402 53.520 54.840 0.135 0.000 0.821 41 L CB 1.929 44.100 42.059 0.187 0.000 1.279 41 L HN 0.266 nan 8.230 nan 0.000 0.412 42 F N 4.534 124.120 119.950 -0.606 0.000 2.495 42 F HA 0.614 5.141 4.527 -0.000 0.000 0.327 42 F C 0.551 176.120 175.800 -0.386 0.000 1.103 42 F CA -0.287 57.319 58.000 -0.656 0.000 0.949 42 F CB 1.779 39.893 39.000 -1.476 0.000 1.142 42 F HN 0.627 nan 8.300 nan 0.000 0.457 43 R N 2.454 122.335 120.500 -1.033 0.000 2.243 43 R HA 0.318 4.658 4.340 -0.000 0.000 0.193 43 R C 0.497 176.260 176.300 -0.895 0.000 0.933 43 R CA 0.327 56.006 56.100 -0.702 0.000 1.105 43 R CB 0.530 30.622 30.300 -0.346 0.000 1.169 43 R HN 0.958 nan 8.270 nan 0.000 0.599 44 G N 1.623 109.655 108.800 -1.280 0.000 2.248 44 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.252 44 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.252 44 G C 0.328 175.101 174.900 -0.212 0.000 1.085 44 G CA -0.299 44.388 45.100 -0.687 0.000 0.845 44 G HN 0.030 nan 8.290 nan 0.000 0.494 45 L N 0.095 121.222 121.223 -0.161 0.000 2.079 45 L HA 0.017 4.357 4.340 -0.000 0.000 0.210 45 L C 2.634 179.466 176.870 -0.064 0.000 1.081 45 L CA 2.647 57.442 54.840 -0.076 0.000 0.752 45 L CB -0.724 41.308 42.059 -0.046 0.000 0.896 45 L HN 0.613 nan 8.230 nan 0.000 0.433 46 E N -1.156 119.060 120.200 0.026 0.000 2.110 46 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 46 E C 2.219 178.833 176.600 0.023 0.000 0.988 46 E CA 1.339 57.771 56.400 0.054 0.000 0.804 46 E CB -0.235 29.551 29.700 0.143 0.000 0.745 46 E HN 0.466 nan 8.360 nan 0.000 0.458 47 M N 0.074 119.702 119.600 0.046 0.000 2.159 47 M HA -0.132 4.348 4.480 -0.000 0.000 0.263 47 M C 2.203 178.484 176.300 -0.033 0.000 1.063 47 M CA 1.328 56.652 55.300 0.040 0.000 1.110 47 M CB -0.247 32.415 32.600 0.102 0.000 1.374 47 M HN 0.100 nan 8.290 nan 0.000 0.411 48 I N -0.137 120.384 120.570 -0.082 0.000 2.394 48 I HA -0.242 3.928 4.170 -0.000 0.000 0.251 48 I C 2.065 177.997 176.117 -0.308 0.000 1.136 48 I CA 0.624 61.828 61.300 -0.160 0.000 1.425 48 I CB -0.218 37.702 38.000 -0.134 0.000 1.079 48 I HN 0.221 nan 8.210 nan 0.000 0.425 49 L N 0.696 121.727 121.223 -0.320 0.000 2.217 49 L HA -0.032 4.308 4.340 -0.000 0.000 0.211 49 L C 1.376 178.117 176.870 -0.215 0.000 1.107 49 L CA 1.197 55.800 54.840 -0.395 0.000 0.783 49 L CB -0.969 40.857 42.059 -0.389 0.000 0.919 49 L HN 0.108 nan 8.230 nan 0.000 0.442 50 K N 0.088 120.420 120.400 -0.112 0.000 2.472 50 K HA 0.125 4.445 4.320 -0.000 0.000 0.280 50 K C 1.066 177.631 176.600 -0.058 0.000 1.028 50 K CA 0.945 57.204 56.287 -0.047 0.000 1.045 50 K CB 0.005 32.495 32.500 -0.016 0.000 0.902 50 K HN 0.397 nan 8.250 nan 0.000 0.478 51 G N 3.518 112.297 108.800 -0.034 0.000 2.179 51 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 51 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 51 G C 0.241 175.116 174.900 -0.042 0.000 0.977 51 G CA 0.278 45.359 45.100 -0.032 0.000 0.641 51 G HN 0.651 nan 8.290 nan 0.000 0.533 52 R N 0.128 120.586 120.500 -0.070 0.000 2.531 52 R HA 0.418 4.758 4.340 -0.000 0.000 0.260 52 R C -0.259 176.032 176.300 -0.015 0.000 1.144 52 R CA -0.606 55.453 56.100 -0.068 0.000 1.171 52 R CB 0.341 30.536 30.300 -0.174 0.000 1.199 52 R HN 0.181 nan 8.270 nan 0.000 0.594 53 D N 1.072 121.490 120.400 0.031 0.000 2.383 53 D HA 0.040 4.680 4.640 -0.000 0.000 0.252 53 D C -1.679 174.697 176.300 0.126 0.000 1.166 53 D CA -1.845 52.211 54.000 0.092 0.000 0.879 53 D CB 1.327 42.211 40.800 0.139 0.000 1.164 53 D HN 0.115 nan 8.370 nan 0.000 0.462 54 P HA -0.143 nan 4.420 nan 0.000 0.217 54 P C 1.064 178.484 177.300 0.200 0.000 1.148 54 P CA 1.256 64.486 63.100 0.217 0.000 0.834 54 P CB 0.214 32.112 31.700 0.330 0.000 0.783 55 R N -0.823 119.834 120.500 0.263 0.000 2.189 55 R HA -0.085 4.255 4.340 -0.000 0.000 0.223 55 R C 1.402 177.834 176.300 0.219 0.000 1.092 55 R CA 1.125 57.365 56.100 0.233 0.000 0.989 55 R CB -0.620 29.872 30.300 0.320 0.000 0.876 55 R HN 0.242 nan 8.270 nan 0.000 0.457 56 D N 0.652 121.190 120.400 0.231 0.000 2.277 56 D HA -0.017 4.623 4.640 -0.000 0.000 0.208 56 D C 1.731 178.190 176.300 0.265 0.000 0.962 56 D CA 0.878 55.072 54.000 0.323 0.000 0.865 56 D CB -0.079 40.927 40.800 0.344 0.000 0.939 56 D HN 0.189 nan 8.370 nan 0.000 0.510 57 A N 1.607 124.468 122.820 0.068 0.000 1.873 57 A HA -0.316 4.004 4.320 -0.000 0.000 0.218 57 A C 2.161 179.696 177.584 -0.081 0.000 1.193 57 A CA 2.365 54.326 52.037 -0.127 0.000 0.629 57 A CB -0.971 17.846 19.000 -0.305 0.000 0.826 57 A HN 0.422 nan 8.150 nan 0.000 0.447 58 Q N -1.486 118.243 119.800 -0.118 0.000 2.234 58 Q HA -0.252 4.088 4.340 -0.000 0.000 0.206 58 Q C 1.757 177.615 176.000 -0.237 0.000 0.980 58 Q CA 1.848 57.537 55.803 -0.190 0.000 0.869 58 Q CB -0.634 27.919 28.738 -0.308 0.000 0.912 58 Q HN 0.792 nan 8.270 nan 0.000 0.436 59 H N -0.613 118.473 119.070 0.027 0.000 2.372 59 H HA 0.006 4.562 4.556 -0.000 0.000 0.301 59 H C 1.645 176.898 175.328 -0.125 0.000 1.065 59 H CA 1.194 57.204 56.048 -0.063 0.000 1.364 59 H CB -0.253 29.453 29.762 -0.094 0.000 1.406 59 H HN 0.320 nan 8.280 nan 0.000 0.521 60 F N 1.267 121.197 119.950 -0.032 0.000 2.128 60 F HA -0.175 4.352 4.527 -0.000 0.000 0.295 60 F C 2.943 178.659 175.800 -0.139 0.000 1.100 60 F CA 1.707 59.650 58.000 -0.095 0.000 1.260 60 F CB -0.496 38.424 39.000 -0.134 0.000 1.009 60 F HN 0.186 nan 8.300 nan 0.000 0.476 61 T N -2.148 112.429 114.554 0.039 0.000 2.915 61 T HA -0.234 4.115 4.350 -0.000 0.000 0.269 61 T C 1.828 176.519 174.700 -0.014 0.000 1.071 61 T CA 1.273 63.357 62.100 -0.028 0.000 1.132 61 T CB -0.603 68.293 68.868 0.046 0.000 0.878 61 T HN 0.350 nan 8.240 nan 0.000 0.479 62 Q N 0.618 120.413 119.800 -0.008 0.000 2.197 62 Q HA -0.125 4.215 4.340 -0.000 0.000 0.207 62 Q C 1.966 177.877 176.000 -0.147 0.000 0.984 62 Q CA 1.269 57.050 55.803 -0.038 0.000 0.869 62 Q CB -0.065 28.603 28.738 -0.116 0.000 0.906 62 Q HN 0.353 nan 8.270 nan 0.000 0.426 63 R N -0.367 120.017 120.500 -0.193 0.000 2.323 63 R HA 0.110 4.450 4.340 -0.000 0.000 0.198 63 R C 1.625 177.907 176.300 -0.030 0.000 0.988 63 R CA 0.660 56.694 56.100 -0.110 0.000 1.041 63 R CB -0.473 29.765 30.300 -0.103 0.000 0.926 63 R HN 0.329 nan 8.270 nan 0.000 0.476 64 A N -0.494 122.250 122.820 -0.126 0.000 1.948 64 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 64 A C 0.895 178.461 177.584 -0.031 0.000 1.177 64 A CA 1.427 53.352 52.037 -0.187 0.000 0.636 64 A CB -0.151 18.457 19.000 -0.653 0.000 0.815 64 A HN 0.419 nan 8.150 nan 0.000 0.449 65 C N -3.639 115.709 119.300 0.080 0.000 3.046 65 C HA 0.565 5.025 4.460 -0.000 0.000 0.388 65 C C 1.230 176.398 174.990 0.296 0.000 1.041 65 C CA -0.268 58.863 59.018 0.188 0.000 1.241 65 C CB 0.925 28.794 27.740 0.214 0.000 1.638 65 C HN 0.571 nan 8.230 nan 0.000 0.539 66 G N 2.595 111.513 108.800 0.196 0.000 3.088 66 G HA2 0.206 4.166 3.960 -0.000 0.000 0.217 66 G HA3 0.206 4.166 3.960 -0.000 0.000 0.217 66 G C 0.951 175.880 174.900 0.047 0.000 1.159 66 G CA 1.041 46.164 45.100 0.038 0.000 0.760 66 G HN 0.715 nan 8.290 nan 0.000 0.550 67 V N 1.182 121.168 119.914 0.119 0.000 2.300 67 V HA -0.069 4.051 4.120 -0.000 0.000 0.241 67 V C 2.171 178.371 176.094 0.178 0.000 1.034 67 V CA 1.333 63.718 62.300 0.141 0.000 1.021 67 V CB -0.547 31.361 31.823 0.142 0.000 0.662 67 V HN 0.570 nan 8.190 nan 0.000 0.458 68 C N 1.332 120.749 119.300 0.195 0.000 3.057 68 C HA 0.450 4.910 4.460 -0.000 0.000 0.563 68 C C 1.015 176.158 174.990 0.256 0.000 1.129 68 C CA -1.003 58.138 59.018 0.204 0.000 1.284 68 C CB -2.297 25.547 27.740 0.174 0.000 1.532 68 C HN 0.412 nan 8.230 nan 0.000 0.631 69 T N 0.267 114.975 114.554 0.256 0.000 2.802 69 T HA 0.239 4.589 4.350 -0.000 0.000 0.305 69 T C 0.486 175.420 174.700 0.390 0.000 1.053 69 T CA 1.482 63.784 62.100 0.337 0.000 1.058 69 T CB 0.186 69.206 68.868 0.253 0.000 0.988 69 T HN 1.370 nan 8.240 nan 0.000 0.539 70 Y N 1.440 121.883 120.300 0.239 0.000 2.786 70 Y HA -0.380 4.170 4.550 -0.000 0.000 0.482 70 Y C 1.616 177.587 175.900 0.119 0.000 1.231 70 Y CA 3.244 61.459 58.100 0.190 0.000 2.675 70 Y CB -2.121 36.459 38.460 0.200 0.000 0.944 70 Y HN 0.487 nan 8.280 nan 0.000 0.535 71 V N -0.123 119.732 119.914 -0.097 0.000 2.380 71 V HA -0.271 3.849 4.120 -0.000 0.000 0.251 71 V C 2.224 178.085 176.094 -0.389 0.000 1.063 71 V CA 2.693 64.793 62.300 -0.334 0.000 1.055 71 V CB -0.959 30.756 31.823 -0.179 0.000 0.657 71 V HN 0.709 nan 8.190 nan 0.000 0.455 72 H N 0.630 119.632 119.070 -0.112 0.000 2.428 72 H HA 0.145 4.701 4.556 -0.000 0.000 0.296 72 H C 2.528 177.768 175.328 -0.147 0.000 1.062 72 H CA 1.618 57.618 56.048 -0.080 0.000 1.350 72 H CB -0.145 29.703 29.762 0.143 0.000 1.403 72 H HN 0.621 nan 8.280 nan 0.000 0.533 73 A N 1.555 124.352 122.820 -0.039 0.000 1.877 73 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 73 A C 2.601 180.030 177.584 -0.257 0.000 1.186 73 A CA 0.776 52.748 52.037 -0.109 0.000 0.620 73 A CB -0.902 18.082 19.000 -0.026 0.000 0.822 73 A HN 0.301 nan 8.150 nan 0.000 0.443 74 L N -0.641 120.309 121.223 -0.455 0.000 1.990 74 L HA -0.276 4.064 4.340 -0.000 0.000 0.213 74 L C 2.991 179.598 176.870 -0.437 0.000 1.072 74 L CA 1.739 56.279 54.840 -0.500 0.000 0.755 74 L CB -0.521 41.105 42.059 -0.722 0.000 0.889 74 L HN 0.463 nan 8.230 nan 0.000 0.432 75 A N -1.451 121.042 122.820 -0.546 0.000 1.933 75 A HA -0.200 4.119 4.320 -0.000 0.000 0.218 75 A C 2.386 179.652 177.584 -0.530 0.000 1.175 75 A CA 2.061 53.687 52.037 -0.686 0.000 0.628 75 A CB -0.537 17.774 19.000 -1.149 0.000 0.814 75 A HN 0.498 nan 8.150 nan 0.000 0.444 76 S N -0.622 114.892 115.700 -0.310 0.000 2.357 76 S HA -0.117 4.353 4.470 -0.000 0.000 0.221 76 S C 2.050 176.613 174.600 -0.062 0.000 1.031 76 S CA 1.509 59.760 58.200 0.084 0.000 0.982 76 S CB -0.548 62.786 63.200 0.225 0.000 0.853 76 S HN 0.832 nan 8.310 nan 0.000 0.458 77 V N 0.619 120.433 119.914 -0.168 0.000 2.626 77 V HA -0.004 4.115 4.120 -0.000 0.000 0.252 77 V C 2.032 177.977 176.094 -0.248 0.000 1.067 77 V CA 1.242 63.419 62.300 -0.205 0.000 1.081 77 V CB -0.747 30.943 31.823 -0.222 0.000 0.686 77 V HN 0.263 nan 8.190 nan 0.000 0.468 78 R N 0.918 121.251 120.500 -0.278 0.000 2.073 78 R HA 0.018 4.358 4.340 -0.000 0.000 0.234 78 R C 2.601 178.712 176.300 -0.314 0.000 1.134 78 R CA 1.611 57.522 56.100 -0.315 0.000 0.952 78 R CB -0.697 29.395 30.300 -0.347 0.000 0.850 78 R HN 0.615 nan 8.270 nan 0.000 0.433 79 A N 0.549 123.191 122.820 -0.296 0.000 1.877 79 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 79 A C 2.317 179.794 177.584 -0.179 0.000 1.186 79 A CA 1.480 53.352 52.037 -0.275 0.000 0.620 79 A CB -0.454 18.378 19.000 -0.282 0.000 0.822 79 A HN 0.128 nan 8.150 nan 0.000 0.443 80 V N 0.475 120.304 119.914 -0.142 0.000 2.379 80 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 80 V C 2.098 178.024 176.094 -0.280 0.000 1.044 80 V CA 1.968 64.173 62.300 -0.158 0.000 1.036 80 V CB -0.954 30.785 31.823 -0.139 0.000 0.664 80 V HN 0.434 nan 8.190 nan 0.000 0.453 81 D N 0.619 120.830 120.400 -0.315 0.000 2.149 81 D HA -0.229 4.411 4.640 -0.000 0.000 0.194 81 D C 2.054 178.251 176.300 -0.172 0.000 1.001 81 D CA 2.005 55.819 54.000 -0.310 0.000 0.849 81 D CB -0.413 40.216 40.800 -0.285 0.000 0.939 81 D HN 0.526 nan 8.370 nan 0.000 0.449 82 N N -0.172 118.431 118.700 -0.162 0.000 2.188 82 N HA -0.130 4.610 4.740 -0.000 0.000 0.184 82 N C 1.820 177.347 175.510 0.028 0.000 1.018 82 N CA 1.556 54.576 53.050 -0.049 0.000 0.858 82 N CB -0.098 38.303 38.487 -0.144 0.000 0.989 82 N HN 0.343 nan 8.380 nan 0.000 0.426 83 C N -1.691 117.596 119.300 -0.021 0.000 2.522 83 C HA 0.311 4.770 4.460 -0.000 0.000 0.271 83 C C 1.891 176.907 174.990 0.044 0.000 1.425 83 C CA -0.318 58.715 59.018 0.026 0.000 1.751 83 C CB -1.011 26.750 27.740 0.035 0.000 1.775 83 C HN 0.217 nan 8.230 nan 0.000 0.557 84 V N 0.621 120.536 119.914 0.000 0.000 3.645 84 V HA 0.422 4.542 4.120 -0.000 0.000 0.275 84 V C 1.982 178.103 176.094 0.044 0.000 1.356 84 V CA 1.321 63.630 62.300 0.016 0.000 1.051 84 V CB 0.070 31.799 31.823 -0.156 0.000 0.828 84 V HN 0.767 nan 8.190 nan 0.000 0.441 85 G N 0.836 109.671 108.800 0.058 0.000 2.147 85 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.244 85 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.244 85 G C 0.243 175.179 174.900 0.061 0.000 1.005 85 G CA 0.467 45.607 45.100 0.066 0.000 0.713 85 G HN 0.606 nan 8.290 nan 0.000 0.515 86 V N -0.092 119.864 119.914 0.069 0.000 2.732 86 V HA 0.618 4.738 4.120 -0.000 0.000 0.297 86 V C 0.452 176.609 176.094 0.106 0.000 1.060 86 V CA -0.304 62.022 62.300 0.043 0.000 1.038 86 V CB 1.090 32.890 31.823 -0.038 0.000 1.003 86 V HN 0.258 nan 8.190 nan 0.000 0.481 87 K N 7.785 128.223 120.400 0.063 0.000 2.347 87 K HA 0.441 4.761 4.320 -0.000 0.000 0.262 87 K C -0.070 176.538 176.600 0.013 0.000 1.052 87 K CA -0.285 56.055 56.287 0.089 0.000 0.946 87 K CB 1.172 33.703 32.500 0.052 0.000 1.220 87 K HN 0.778 nan 8.250 nan 0.000 0.450 88 I N 0.182 120.743 120.570 -0.016 0.000 2.779 88 I HA 0.306 4.476 4.170 -0.000 0.000 0.285 88 I C -2.240 173.859 176.117 -0.029 0.000 1.134 88 I CA -1.997 59.269 61.300 -0.056 0.000 1.398 88 I CB 0.345 38.289 38.000 -0.092 0.000 1.404 88 I HN 0.289 nan 8.210 nan 0.000 0.587 89 P HA 0.097 nan 4.420 nan 0.000 0.274 89 P C 0.317 177.607 177.300 -0.017 0.000 1.256 89 P CA -0.302 62.796 63.100 -0.003 0.000 0.795 89 P CB 0.605 32.318 31.700 0.021 0.000 1.038 90 E N 0.634 120.827 120.200 -0.010 0.000 2.085 90 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 90 E C 1.221 177.795 176.600 -0.044 0.000 0.994 90 E CA 1.307 57.692 56.400 -0.025 0.000 0.801 90 E CB -0.181 29.513 29.700 -0.010 0.000 0.743 90 E HN 0.291 nan 8.360 nan 0.000 0.453 91 N N 0.504 119.186 118.700 -0.030 0.000 2.166 91 N HA -0.145 4.595 4.740 -0.000 0.000 0.186 91 N C 1.553 177.016 175.510 -0.078 0.000 1.019 91 N CA 1.268 54.288 53.050 -0.050 0.000 0.856 91 N CB -0.450 38.027 38.487 -0.017 0.000 0.993 91 N HN 0.260 nan 8.380 nan 0.000 0.426 92 A N 0.208 122.993 122.820 -0.059 0.000 1.898 92 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 92 A C 2.385 179.912 177.584 -0.095 0.000 1.181 92 A CA 1.890 53.886 52.037 -0.068 0.000 0.620 92 A CB -1.099 17.866 19.000 -0.059 0.000 0.819 92 A HN 0.267 nan 8.150 nan 0.000 0.442 93 T N 0.664 115.155 114.554 -0.104 0.000 2.652 93 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 93 T C 1.833 176.418 174.700 -0.192 0.000 1.039 93 T CA 1.645 63.663 62.100 -0.138 0.000 1.153 93 T CB -0.478 68.317 68.868 -0.121 0.000 0.863 93 T HN 0.376 nan 8.240 nan 0.000 0.428 94 L N 0.283 121.394 121.223 -0.187 0.000 2.012 94 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 94 L C 2.696 179.388 176.870 -0.297 0.000 1.073 94 L CA 1.554 56.252 54.840 -0.236 0.000 0.748 94 L CB -0.543 41.420 42.059 -0.159 0.000 0.891 94 L HN 0.302 nan 8.230 nan 0.000 0.431 95 M N -0.462 118.966 119.600 -0.288 0.000 2.117 95 M HA -0.230 4.250 4.480 -0.000 0.000 0.262 95 M C 2.498 178.687 176.300 -0.184 0.000 1.065 95 M CA 1.764 56.826 55.300 -0.397 0.000 1.114 95 M CB -0.059 32.398 32.600 -0.238 0.000 1.361 95 M HN 0.077 nan 8.290 nan 0.000 0.408 96 R N -0.212 120.274 120.500 -0.024 0.000 2.115 96 R HA -0.101 4.239 4.340 -0.000 0.000 0.230 96 R C 1.745 178.088 176.300 0.072 0.000 1.111 96 R CA 1.494 57.680 56.100 0.144 0.000 0.976 96 R CB -0.409 29.930 30.300 0.065 0.000 0.870 96 R HN 0.460 nan 8.270 nan 0.000 0.445 97 N N 0.667 119.280 118.700 -0.145 0.000 2.171 97 N HA -0.076 4.664 4.740 -0.000 0.000 0.184 97 N C 1.791 177.226 175.510 -0.125 0.000 1.021 97 N CA 0.930 53.825 53.050 -0.259 0.000 0.854 97 N CB -0.162 37.812 38.487 -0.855 0.000 0.994 97 N HN 0.127 nan 8.380 nan 0.000 0.426 98 L N 0.397 121.539 121.223 -0.134 0.000 2.042 98 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 98 L C 2.080 179.000 176.870 0.084 0.000 1.076 98 L CA 1.181 56.010 54.840 -0.018 0.000 0.749 98 L CB -0.666 41.132 42.059 -0.434 0.000 0.893 98 L HN 0.162 nan 8.230 nan 0.000 0.432 99 T N -0.840 113.699 114.554 -0.026 0.000 2.821 99 T HA -0.213 4.136 4.350 -0.000 0.000 0.267 99 T C 1.777 176.540 174.700 0.105 0.000 1.046 99 T CA 1.437 63.489 62.100 -0.081 0.000 1.139 99 T CB -0.126 68.458 68.868 -0.473 0.000 0.871 99 T HN 0.170 nan 8.240 nan 0.000 0.454 100 M N 1.626 121.418 119.600 0.320 0.000 2.175 100 M HA 0.133 4.613 4.480 -0.000 0.000 0.264 100 M C 2.197 178.735 176.300 0.396 0.000 1.063 100 M CA 1.416 56.989 55.300 0.456 0.000 1.119 100 M CB -0.915 31.893 32.600 0.347 0.000 1.377 100 M HN 0.199 nan 8.290 nan 0.000 0.415 101 G N -0.616 108.412 108.800 0.380 0.000 2.421 101 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.216 101 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.216 101 G C 1.575 176.673 174.900 0.330 0.000 1.171 101 G CA 0.983 46.260 45.100 0.295 0.000 0.775 101 G HN 0.660 nan 8.290 nan 0.000 0.543 102 A N 0.295 123.316 122.820 0.336 0.000 1.940 102 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 102 A C 2.316 180.080 177.584 0.301 0.000 1.176 102 A CA 2.347 54.567 52.037 0.305 0.000 0.631 102 A CB -0.480 18.697 19.000 0.295 0.000 0.814 102 A HN 0.440 nan 8.150 nan 0.000 0.446 103 Q N -1.232 118.760 119.800 0.321 0.000 2.084 103 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 103 Q C 1.734 177.957 176.000 0.371 0.000 0.978 103 Q CA 2.045 58.054 55.803 0.343 0.000 0.844 103 Q CB -0.608 28.365 28.738 0.393 0.000 0.898 103 Q HN 0.652 nan 8.270 nan 0.000 0.426 104 Y N -0.094 120.311 120.300 0.175 0.000 2.165 104 Y HA -0.193 4.357 4.550 -0.000 0.000 0.286 104 Y C 2.205 178.142 175.900 0.061 0.000 1.155 104 Y CA 1.551 59.671 58.100 0.033 0.000 1.164 104 Y CB -0.478 38.113 38.460 0.218 0.000 0.978 104 Y HN 0.194 nan 8.280 nan 0.000 0.513 105 M N -1.633 118.192 119.600 0.374 0.000 2.086 105 M HA -0.244 4.236 4.480 -0.000 0.000 0.261 105 M C 2.345 178.807 176.300 0.269 0.000 1.067 105 M CA 1.902 57.395 55.300 0.321 0.000 1.116 105 M CB -0.651 32.126 32.600 0.295 0.000 1.348 105 M HN 0.309 nan 8.290 nan 0.000 0.407 106 H N -0.021 119.149 119.070 0.167 0.000 2.326 106 H HA -0.167 4.388 4.556 -0.000 0.000 0.301 106 H C 1.637 177.040 175.328 0.126 0.000 1.081 106 H CA 1.758 57.883 56.048 0.128 0.000 1.334 106 H CB -0.100 29.725 29.762 0.105 0.000 1.385 106 H HN 0.298 nan 8.280 nan 0.000 0.504 107 D N -0.133 120.363 120.400 0.160 0.000 2.097 107 D HA -0.133 4.507 4.640 -0.000 0.000 0.195 107 D C 2.066 178.430 176.300 0.107 0.000 0.989 107 D CA 1.192 55.245 54.000 0.090 0.000 0.827 107 D CB -0.258 40.553 40.800 0.018 0.000 0.966 107 D HN 0.610 nan 8.370 nan 0.000 0.456 108 H N -0.416 118.743 119.070 0.149 0.000 2.395 108 H HA 0.057 4.612 4.556 -0.000 0.000 0.299 108 H C 2.374 177.746 175.328 0.073 0.000 1.070 108 H CA 0.134 56.287 56.048 0.174 0.000 1.356 108 H CB 0.324 30.239 29.762 0.254 0.000 1.401 108 H HN 0.077 nan 8.280 nan 0.000 0.524 109 L N 0.161 121.464 121.223 0.133 0.000 1.989 109 L HA -0.213 4.127 4.340 -0.000 0.000 0.211 109 L C 2.333 179.187 176.870 -0.026 0.000 1.071 109 L CA 1.056 55.874 54.840 -0.036 0.000 0.749 109 L CB -0.256 41.845 42.059 0.070 0.000 0.890 109 L HN 0.187 nan 8.230 nan 0.000 0.431 110 V N -1.021 118.871 119.914 -0.038 0.000 2.427 110 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 110 V C 2.440 178.563 176.094 0.049 0.000 1.051 110 V CA 1.787 64.101 62.300 0.023 0.000 1.048 110 V CB -0.875 30.931 31.823 -0.029 0.000 0.666 110 V HN 0.549 nan 8.190 nan 0.000 0.456 111 H N -0.625 118.469 119.070 0.040 0.000 2.293 111 H HA -0.231 4.325 4.556 -0.000 0.000 0.300 111 H C 2.309 177.669 175.328 0.054 0.000 1.082 111 H CA 2.470 58.562 56.048 0.072 0.000 1.308 111 H CB -0.188 29.657 29.762 0.140 0.000 1.375 111 H HN 0.414 nan 8.280 nan 0.000 0.495 112 F N 0.829 120.682 119.950 -0.161 0.000 2.046 112 F HA -0.261 4.266 4.527 -0.000 0.000 0.297 112 F C 2.085 177.646 175.800 -0.398 0.000 1.123 112 F CA 1.839 59.654 58.000 -0.308 0.000 1.199 112 F CB -0.966 37.665 39.000 -0.614 0.000 0.972 112 F HN 0.111 nan 8.300 nan 0.000 0.474 113 Y N -0.870 119.186 120.300 -0.408 0.000 2.184 113 Y HA -0.148 4.402 4.550 -0.000 0.000 0.290 113 Y C 2.541 178.171 175.900 -0.450 0.000 1.129 113 Y CA 2.130 59.895 58.100 -0.559 0.000 1.144 113 Y CB -0.647 37.394 38.460 -0.700 0.000 0.995 113 Y HN 0.175 nan 8.280 nan 0.000 0.513 114 H N -2.418 116.600 119.070 -0.087 0.000 2.582 114 H HA 0.056 4.612 4.556 -0.000 0.000 0.269 114 H C 1.135 176.423 175.328 -0.067 0.000 0.962 114 H CA 0.317 56.294 56.048 -0.119 0.000 1.230 114 H CB 0.388 30.011 29.762 -0.232 0.000 1.445 114 H HN 0.145 nan 8.280 nan 0.000 0.528 115 L N -1.275 119.879 121.223 -0.116 0.000 2.388 115 L HA 0.068 4.408 4.340 -0.000 0.000 0.209 115 L C 1.953 178.552 176.870 -0.451 0.000 1.061 115 L CA 1.433 56.111 54.840 -0.270 0.000 0.834 115 L CB -0.527 41.374 42.059 -0.263 0.000 1.029 115 L HN 0.354 nan 8.230 nan 0.000 0.473 116 H N -1.255 117.464 119.070 -0.585 0.000 2.406 116 H HA 0.141 4.697 4.556 -0.000 0.000 0.304 116 H C 2.059 177.270 175.328 -0.194 0.000 1.042 116 H CA 0.674 56.468 56.048 -0.424 0.000 1.360 116 H CB 0.798 30.348 29.762 -0.353 0.000 1.448 116 H HN 0.201 nan 8.280 nan 0.000 0.553 117 A N 1.176 123.847 122.820 -0.248 0.000 1.958 117 A HA -0.184 4.136 4.320 -0.000 0.000 0.221 117 A C 1.953 179.557 177.584 0.033 0.000 1.178 117 A CA 1.227 53.139 52.037 -0.209 0.000 0.642 117 A CB -0.604 18.173 19.000 -0.371 0.000 0.816 117 A HN 0.332 nan 8.150 nan 0.000 0.453 118 L N 0.119 121.388 121.223 0.077 0.000 2.549 118 L HA -0.074 4.266 4.340 -0.000 0.000 0.229 118 L C 0.990 177.986 176.870 0.210 0.000 1.158 118 L CA 1.357 56.317 54.840 0.200 0.000 0.842 118 L CB -0.896 41.318 42.059 0.259 0.000 0.952 118 L HN 0.321 nan 8.230 nan 0.000 0.452 119 D N -2.350 118.001 120.400 -0.082 0.000 2.323 119 D HA -0.122 4.518 4.640 -0.000 0.000 0.209 119 D C 1.649 177.380 176.300 -0.949 0.000 0.973 119 D CA 0.802 54.521 54.000 -0.468 0.000 0.874 119 D CB 0.041 40.362 40.800 -0.798 0.000 0.930 119 D HN 0.408 nan 8.370 nan 0.000 0.521 120 W N -0.199 120.911 121.300 -0.317 0.000 2.873 120 W HA 0.244 4.904 4.660 -0.000 0.000 0.282 120 W C 0.156 176.666 176.519 -0.014 0.000 1.118 120 W CA -0.165 56.917 57.345 -0.439 0.000 1.480 120 W CB 0.614 29.787 29.460 -0.479 0.000 0.954 120 W HN -0.373 nan 8.180 nan 0.000 0.591 121 V N 2.762 122.847 119.914 0.284 0.000 2.398 121 V HA 0.225 4.345 4.120 -0.000 0.000 0.286 121 V C -0.327 175.689 176.094 -0.130 0.000 1.026 121 V CA -0.761 61.616 62.300 0.129 0.000 0.868 121 V CB 1.229 33.065 31.823 0.022 0.000 0.982 121 V HN -0.060 nan 8.190 nan 0.000 0.443 122 N N 4.578 123.088 118.700 -0.316 0.000 2.521 122 N HA 0.157 4.896 4.740 -0.000 0.000 0.236 122 N C 0.785 175.762 175.510 -0.888 0.000 1.067 122 N CA -0.035 52.420 53.050 -0.993 0.000 0.939 122 N CB 1.485 39.652 38.487 -0.533 0.000 1.201 122 N HN 0.380 nan 8.380 nan 0.000 0.511 123 V N 3.251 122.463 119.914 -1.169 0.000 2.332 123 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 123 V C 2.365 178.171 176.094 -0.481 0.000 1.055 123 V CA 2.281 64.171 62.300 -0.682 0.000 1.038 123 V CB -0.990 30.383 31.823 -0.750 0.000 0.651 123 V HN 0.719 nan 8.190 nan 0.000 0.450 124 A N 0.440 123.020 122.820 -0.401 0.000 1.908 124 A HA -0.296 4.023 4.320 -0.000 0.000 0.218 124 A C 2.039 179.522 177.584 -0.167 0.000 1.181 124 A CA 2.290 54.220 52.037 -0.178 0.000 0.627 124 A CB -0.899 18.102 19.000 0.002 0.000 0.818 124 A HN 0.589 nan 8.150 nan 0.000 0.445 125 N N 0.138 118.715 118.700 -0.204 0.000 2.519 125 N HA -0.017 4.723 4.740 -0.000 0.000 0.186 125 N C 1.455 176.879 175.510 -0.144 0.000 1.062 125 N CA 1.161 54.123 53.050 -0.147 0.000 0.910 125 N CB -0.321 38.080 38.487 -0.144 0.000 0.958 125 N HN 0.396 nan 8.380 nan 0.000 0.445 126 A N -0.001 122.711 122.820 -0.181 0.000 2.015 126 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 126 A C 2.032 179.548 177.584 -0.113 0.000 1.163 126 A CA 0.647 52.593 52.037 -0.151 0.000 0.646 126 A CB -0.508 18.384 19.000 -0.180 0.000 0.806 126 A HN 0.378 nan 8.150 nan 0.000 0.448 127 L N -0.153 121.005 121.223 -0.107 0.000 2.362 127 L HA -0.105 4.235 4.340 -0.000 0.000 0.219 127 L C 1.264 178.099 176.870 -0.060 0.000 1.134 127 L CA 0.642 55.437 54.840 -0.077 0.000 0.807 127 L CB -0.425 41.592 42.059 -0.069 0.000 0.927 127 L HN 0.427 nan 8.230 nan 0.000 0.447 128 N N 0.244 118.906 118.700 -0.063 0.000 2.336 128 N HA 0.093 4.833 4.740 -0.000 0.000 0.189 128 N C 0.662 176.143 175.510 -0.049 0.000 1.113 128 N CA 0.159 53.179 53.050 -0.050 0.000 0.858 128 N CB 0.334 38.793 38.487 -0.047 0.000 0.970 128 N HN 0.110 nan 8.380 nan 0.000 0.471 129 A N 1.041 123.826 122.820 -0.058 0.000 2.425 129 A HA 0.069 4.389 4.320 -0.000 0.000 0.249 129 A C 0.125 177.686 177.584 -0.039 0.000 1.084 129 A CA -0.215 51.791 52.037 -0.053 0.000 0.781 129 A CB 0.287 19.249 19.000 -0.063 0.000 1.019 129 A HN 0.043 nan 8.150 nan 0.000 0.490 130 D N 2.747 123.128 120.400 -0.032 0.000 2.325 130 D HA 0.294 4.934 4.640 -0.000 0.000 0.251 130 D C -1.787 174.500 176.300 -0.022 0.000 1.196 130 D CA -1.937 52.049 54.000 -0.023 0.000 0.866 130 D CB 1.268 42.058 40.800 -0.017 0.000 1.101 130 D HN 0.123 nan 8.370 nan 0.000 0.476 131 P HA -0.016 nan 4.420 nan 0.000 0.216 131 P C 1.092 178.385 177.300 -0.012 0.000 1.153 131 P CA 1.114 64.203 63.100 -0.019 0.000 0.844 131 P CB 0.129 31.819 31.700 -0.017 0.000 0.787 132 A N 0.156 122.971 122.820 -0.008 0.000 1.908 132 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 132 A C 2.294 179.877 177.584 -0.002 0.000 1.181 132 A CA 2.148 54.183 52.037 -0.003 0.000 0.627 132 A CB -1.296 17.702 19.000 -0.003 0.000 0.818 132 A HN 0.102 nan 8.150 nan 0.000 0.445 133 K N -0.692 119.706 120.400 -0.005 0.000 2.097 133 K HA 0.032 4.351 4.320 -0.000 0.000 0.205 133 K C 2.150 178.749 176.600 -0.002 0.000 1.050 133 K CA 1.005 57.290 56.287 -0.002 0.000 0.938 133 K CB -0.259 32.238 32.500 -0.005 0.000 0.718 133 K HN 0.424 nan 8.250 nan 0.000 0.442 134 A N 0.729 123.543 122.820 -0.010 0.000 1.930 134 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 134 A C 2.265 179.846 177.584 -0.004 0.000 1.175 134 A CA 1.713 53.742 52.037 -0.014 0.000 0.627 134 A CB -0.691 18.290 19.000 -0.032 0.000 0.815 134 A HN 0.381 nan 8.150 nan 0.000 0.443 135 A N -0.096 122.724 122.820 -0.000 0.000 1.902 135 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 135 A C 2.287 179.881 177.584 0.017 0.000 1.181 135 A CA 1.644 53.688 52.037 0.011 0.000 0.623 135 A CB -0.523 18.483 19.000 0.011 0.000 0.818 135 A HN 0.504 nan 8.150 nan 0.000 0.443 136 R N -0.302 120.205 120.500 0.012 0.000 2.081 136 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 136 R C 1.989 178.300 176.300 0.019 0.000 1.131 136 R CA 1.903 58.012 56.100 0.014 0.000 0.960 136 R CB -0.649 29.657 30.300 0.010 0.000 0.856 136 R HN 0.449 nan 8.270 nan 0.000 0.436 137 L N 1.225 122.461 121.223 0.021 0.000 2.046 137 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 137 L C 2.407 179.301 176.870 0.039 0.000 1.077 137 L CA 2.141 56.999 54.840 0.031 0.000 0.747 137 L CB -0.962 41.118 42.059 0.035 0.000 0.896 137 L HN 0.232 nan 8.230 nan 0.000 0.432 138 A N -0.200 122.644 122.820 0.040 0.000 1.908 138 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 138 A C 2.063 179.681 177.584 0.056 0.000 1.181 138 A CA 2.006 54.081 52.037 0.064 0.000 0.627 138 A CB -0.836 18.206 19.000 0.070 0.000 0.818 138 A HN 0.631 nan 8.150 nan 0.000 0.445 139 N N 0.310 119.032 118.700 0.037 0.000 2.309 139 N HA -0.096 4.644 4.740 -0.000 0.000 0.182 139 N C 0.873 176.393 175.510 0.016 0.000 1.018 139 N CA 1.302 54.368 53.050 0.026 0.000 0.876 139 N CB -0.354 38.144 38.487 0.019 0.000 0.972 139 N HN 0.449 nan 8.380 nan 0.000 0.434 140 D N 0.477 120.887 120.400 0.017 0.000 2.183 140 D HA 0.014 4.654 4.640 -0.000 0.000 0.203 140 D C 2.049 178.352 176.300 0.007 0.000 0.969 140 D CA 0.330 54.335 54.000 0.009 0.000 0.842 140 D CB 0.043 40.849 40.800 0.010 0.000 0.957 140 D HN 0.242 nan 8.370 nan 0.000 0.484 141 L N -0.460 120.775 121.223 0.020 0.000 2.179 141 L HA 0.016 4.356 4.340 -0.000 0.000 0.208 141 L C 1.209 178.078 176.870 -0.002 0.000 1.096 141 L CA 0.433 55.282 54.840 0.016 0.000 0.779 141 L CB 0.083 42.171 42.059 0.048 0.000 0.922 141 L HN -0.086 nan 8.230 nan 0.000 0.443 142 S N -1.934 113.767 115.700 0.002 0.000 2.595 142 S HA 0.428 4.898 4.470 -0.000 0.000 0.281 142 S C -2.178 172.411 174.600 -0.019 0.000 1.117 142 S CA -1.277 56.910 58.200 -0.022 0.000 0.873 142 S CB 1.812 64.993 63.200 -0.032 0.000 1.108 142 S HN -0.227 nan 8.310 nan 0.000 0.477 143 P HA 0.069 nan 4.420 nan 0.000 0.220 143 P C -0.043 177.247 177.300 -0.017 0.000 1.152 143 P CA 0.462 63.548 63.100 -0.024 0.000 0.812 143 P CB -0.112 31.569 31.700 -0.032 0.000 0.792 144 R N 0.092 120.580 120.500 -0.020 0.000 2.679 144 R HA 0.278 4.618 4.340 -0.000 0.000 0.269 144 R C -0.115 176.190 176.300 0.008 0.000 1.076 144 R CA -0.317 55.778 56.100 -0.007 0.000 1.160 144 R CB 0.112 30.406 30.300 -0.010 0.000 1.054 144 R HN -0.231 nan 8.270 nan 0.000 0.507 145 K N 1.864 122.272 120.400 0.014 0.000 2.201 145 K HA 0.255 4.575 4.320 -0.000 0.000 0.278 145 K C -0.637 175.984 176.600 0.035 0.000 1.027 145 K CA -0.425 55.875 56.287 0.021 0.000 0.909 145 K CB 2.000 34.509 32.500 0.015 0.000 1.062 145 K HN 0.646 nan 8.250 nan 0.000 0.465 146 T N 1.577 116.157 114.554 0.043 0.000 2.855 146 T HA 0.386 4.736 4.350 -0.000 0.000 0.281 146 T C 0.007 174.729 174.700 0.037 0.000 1.007 146 T CA -0.685 61.448 62.100 0.055 0.000 1.009 146 T CB 1.305 70.219 68.868 0.077 0.000 0.983 146 T HN 0.608 nan 8.240 nan 0.000 0.455 147 T N -0.380 114.194 114.554 0.034 0.000 2.943 147 T HA 0.337 4.687 4.350 -0.000 0.000 0.284 147 T C 1.465 176.176 174.700 0.018 0.000 1.015 147 T CA -0.705 61.409 62.100 0.023 0.000 1.042 147 T CB 1.153 70.033 68.868 0.019 0.000 1.055 147 T HN 0.370 nan 8.240 nan 0.000 0.500 148 T N 0.574 115.135 114.554 0.012 0.000 2.720 148 T HA -0.138 4.212 4.350 -0.000 0.000 0.268 148 T C 1.739 176.442 174.700 0.006 0.000 1.037 148 T CA 1.946 64.050 62.100 0.006 0.000 1.144 148 T CB -0.446 68.424 68.868 0.003 0.000 0.864 148 T HN 0.894 nan 8.240 nan 0.000 0.444 149 E N 1.055 121.260 120.200 0.008 0.000 2.085 149 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 149 E C 2.259 178.865 176.600 0.010 0.000 0.994 149 E CA 1.654 58.059 56.400 0.008 0.000 0.801 149 E CB -0.122 29.583 29.700 0.008 0.000 0.743 149 E HN 0.609 nan 8.360 nan 0.000 0.453 150 S N 0.218 115.928 115.700 0.017 0.000 2.406 150 S HA -0.071 4.399 4.470 -0.000 0.000 0.228 150 S C 2.043 176.654 174.600 0.018 0.000 1.020 150 S CA 0.710 58.924 58.200 0.023 0.000 0.965 150 S CB -0.329 62.893 63.200 0.037 0.000 0.798 150 S HN 0.317 nan 8.310 nan 0.000 0.488 151 L N 0.396 121.625 121.223 0.010 0.000 2.240 151 L HA 0.112 4.452 4.340 -0.000 0.000 0.211 151 L C 2.787 179.650 176.870 -0.011 0.000 1.106 151 L CA 1.011 55.847 54.840 -0.005 0.000 0.793 151 L CB -0.357 41.694 42.059 -0.013 0.000 0.927 151 L HN 0.294 nan 8.230 nan 0.000 0.446 152 K N 0.257 120.653 120.400 -0.007 0.000 2.097 152 K HA -0.107 4.213 4.320 -0.000 0.000 0.205 152 K C 2.199 178.794 176.600 -0.007 0.000 1.050 152 K CA 1.240 57.522 56.287 -0.009 0.000 0.938 152 K CB -0.061 32.436 32.500 -0.005 0.000 0.718 152 K HN 0.258 nan 8.250 nan 0.000 0.442 153 A N 0.337 123.157 122.820 -0.000 0.000 1.873 153 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 153 A C 2.222 179.807 177.584 0.002 0.000 1.186 153 A CA 1.465 53.504 52.037 0.003 0.000 0.616 153 A CB -0.647 18.359 19.000 0.010 0.000 0.823 153 A HN 0.100 nan 8.150 nan 0.000 0.442 154 V N -0.070 119.845 119.914 0.002 0.000 2.287 154 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 154 V C 2.684 178.765 176.094 -0.023 0.000 1.053 154 V CA 2.322 64.620 62.300 -0.003 0.000 1.027 154 V CB -0.896 30.925 31.823 -0.004 0.000 0.646 154 V HN 0.644 nan 8.190 nan 0.000 0.447 155 Q N -0.662 119.120 119.800 -0.030 0.000 2.096 155 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 155 Q C 2.402 178.381 176.000 -0.034 0.000 0.982 155 Q CA 1.891 57.668 55.803 -0.042 0.000 0.850 155 Q CB -0.332 28.383 28.738 -0.039 0.000 0.901 155 Q HN 0.692 nan 8.270 nan 0.000 0.422 156 A N 1.088 123.896 122.820 -0.020 0.000 1.908 156 A HA -0.235 4.084 4.320 -0.000 0.000 0.218 156 A C 1.916 179.493 177.584 -0.011 0.000 1.181 156 A CA 1.668 53.697 52.037 -0.013 0.000 0.627 156 A CB -0.338 18.658 19.000 -0.006 0.000 0.818 156 A HN 0.230 nan 8.150 nan 0.000 0.445 157 K N -0.560 119.836 120.400 -0.007 0.000 2.026 157 K HA -0.067 4.253 4.320 -0.000 0.000 0.208 157 K C 1.869 178.464 176.600 -0.009 0.000 1.048 157 K CA 1.405 57.694 56.287 0.003 0.000 0.929 157 K CB -0.378 32.132 32.500 0.016 0.000 0.713 157 K HN 0.297 nan 8.250 nan 0.000 0.439 158 V N 1.827 121.717 119.914 -0.038 0.000 2.392 158 V HA -0.277 3.843 4.120 -0.000 0.000 0.249 158 V C 2.289 178.350 176.094 -0.054 0.000 1.059 158 V CA 1.676 63.930 62.300 -0.077 0.000 1.051 158 V CB -0.390 31.351 31.823 -0.136 0.000 0.658 158 V HN 0.320 nan 8.190 nan 0.000 0.455 159 K N 0.042 120.418 120.400 -0.040 0.000 2.026 159 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 159 K C 2.280 178.873 176.600 -0.012 0.000 1.048 159 K CA 1.513 57.784 56.287 -0.027 0.000 0.929 159 K CB -0.384 32.103 32.500 -0.023 0.000 0.713 159 K HN 0.439 nan 8.250 nan 0.000 0.439 160 A N 1.097 123.915 122.820 -0.004 0.000 1.940 160 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 160 A C 2.004 179.597 177.584 0.015 0.000 1.176 160 A CA 1.334 53.374 52.037 0.007 0.000 0.631 160 A CB -0.573 18.434 19.000 0.011 0.000 0.814 160 A HN 0.331 nan 8.150 nan 0.000 0.446 161 L N -0.339 120.896 121.223 0.019 0.000 2.005 161 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 161 L C 2.525 179.416 176.870 0.033 0.000 1.072 161 L CA 1.853 56.717 54.840 0.040 0.000 0.744 161 L CB -0.618 41.478 42.059 0.061 0.000 0.895 161 L HN 0.179 nan 8.230 nan 0.000 0.433 162 V N -0.597 119.324 119.914 0.011 0.000 2.307 162 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 162 V C 2.489 178.589 176.094 0.011 0.000 1.045 162 V CA 1.828 64.133 62.300 0.009 0.000 1.024 162 V CB -0.549 31.267 31.823 -0.012 0.000 0.651 162 V HN 0.474 nan 8.190 nan 0.000 0.449 163 E N 0.406 120.610 120.200 0.006 0.000 2.204 163 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 163 E C 2.310 178.917 176.600 0.011 0.000 0.989 163 E CA 1.354 57.758 56.400 0.006 0.000 0.824 163 E CB -0.121 29.580 29.700 0.003 0.000 0.756 163 E HN 0.739 nan 8.360 nan 0.000 0.477 164 S N -0.735 114.975 115.700 0.016 0.000 2.474 164 S HA -0.033 4.437 4.470 -0.000 0.000 0.235 164 S C 1.771 176.383 174.600 0.019 0.000 0.997 164 S CA 0.879 59.090 58.200 0.018 0.000 0.949 164 S CB -0.050 63.164 63.200 0.023 0.000 0.766 164 S HN 0.378 nan 8.310 nan 0.000 0.517 165 G N 0.584 109.397 108.800 0.021 0.000 2.189 165 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.267 165 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.267 165 G C -0.012 174.905 174.900 0.028 0.000 0.975 165 G CA 0.532 45.645 45.100 0.022 0.000 0.644 165 G HN 0.651 nan 8.290 nan 0.000 0.537 166 Q N 0.027 119.847 119.800 0.033 0.000 2.509 166 Q HA 0.579 4.918 4.340 -0.000 0.000 0.230 166 Q C 1.522 177.559 176.000 0.063 0.000 1.089 166 Q CA -0.536 55.289 55.803 0.038 0.000 0.901 166 Q CB 0.657 29.413 28.738 0.031 0.000 1.208 166 Q HN 0.440 nan 8.270 nan 0.000 0.529 167 L N 0.910 122.178 121.223 0.074 0.000 2.395 167 L HA -0.015 4.325 4.340 -0.000 0.000 0.218 167 L C 1.385 178.336 176.870 0.134 0.000 1.130 167 L CA 0.720 55.644 54.840 0.139 0.000 0.826 167 L CB -0.671 41.470 42.059 0.137 0.000 0.941 167 L HN 0.945 nan 8.230 nan 0.000 0.451 168 G N 2.262 111.089 108.800 0.044 0.000 2.602 168 G HA2 -0.441 3.519 3.960 -0.000 0.000 0.310 168 G HA3 -0.441 3.519 3.960 -0.000 0.000 0.310 168 G C 0.841 175.681 174.900 -0.100 0.000 1.183 168 G CA 0.645 45.732 45.100 -0.021 0.000 0.979 168 G HN 0.459 nan 8.290 nan 0.000 0.545 169 I N -1.787 118.630 120.570 -0.254 0.000 2.830 169 I HA 0.301 4.471 4.170 -0.000 0.000 0.263 169 I C 2.136 177.978 176.117 -0.460 0.000 1.230 169 I CA 1.500 62.572 61.300 -0.381 0.000 1.480 169 I CB -0.303 37.414 38.000 -0.471 0.000 1.095 169 I HN 0.176 nan 8.210 nan 0.000 0.455 170 F N 1.624 121.558 119.950 -0.027 0.000 2.797 170 F HA 0.200 4.727 4.527 -0.000 0.000 0.302 170 F C 1.155 176.889 175.800 -0.109 0.000 1.130 170 F CA -0.175 57.790 58.000 -0.058 0.000 1.387 170 F CB -1.041 37.968 39.000 0.016 0.000 1.107 170 F HN -0.128 nan 8.300 nan 0.000 0.577 171 T N 2.428 116.993 114.554 0.018 0.000 2.867 171 T HA -0.031 4.319 4.350 -0.000 0.000 0.297 171 T C 0.605 175.273 174.700 -0.053 0.000 0.989 171 T CA 0.129 62.225 62.100 -0.006 0.000 1.159 171 T CB -0.081 68.780 68.868 -0.012 0.000 0.928 171 T HN 0.272 nan 8.240 nan 0.000 0.538 172 N N 0.075 118.745 118.700 -0.050 0.000 2.714 172 N HA -0.169 4.571 4.740 -0.000 0.000 0.250 172 N C 0.208 175.641 175.510 -0.129 0.000 1.117 172 N CA 0.813 53.830 53.050 -0.055 0.000 0.719 172 N CB -1.605 36.873 38.487 -0.016 0.000 1.081 172 N HN 0.922 nan 8.380 nan 0.000 0.557 173 A N -0.329 122.328 122.820 -0.271 0.000 2.555 173 A HA 0.107 4.427 4.320 -0.000 0.000 0.233 173 A C 1.173 178.532 177.584 -0.374 0.000 1.060 173 A CA 0.161 51.867 52.037 -0.550 0.000 0.759 173 A CB 0.110 18.387 19.000 -1.205 0.000 0.995 173 A HN 0.241 nan 8.150 nan 0.000 0.506 174 Y N 1.525 121.615 120.300 -0.350 0.000 2.403 174 Y HA -0.171 4.379 4.550 -0.000 0.000 0.291 174 Y C 1.728 177.567 175.900 -0.101 0.000 1.143 174 Y CA 1.793 59.839 58.100 -0.091 0.000 1.257 174 Y CB -0.852 37.642 38.460 0.057 0.000 0.984 174 Y HN 0.817 nan 8.280 nan 0.000 0.550 175 F N -1.823 118.056 119.950 -0.118 0.000 2.776 175 F HA 0.262 4.789 4.527 -0.000 0.000 0.300 175 F C 0.367 176.071 175.800 -0.160 0.000 1.116 175 F CA -0.901 56.851 58.000 -0.413 0.000 1.375 175 F CB -1.206 37.159 39.000 -1.057 0.000 1.109 175 F HN -0.286 nan 8.300 nan 0.000 0.585 176 L N 1.951 123.136 121.223 -0.064 0.000 2.453 176 L HA 0.334 4.674 4.340 -0.000 0.000 0.272 176 L C 1.424 178.328 176.870 0.056 0.000 1.182 176 L CA 0.609 55.471 54.840 0.035 0.000 0.858 176 L CB 0.260 42.293 42.059 -0.044 0.000 1.120 176 L HN 0.601 nan 8.230 nan 0.000 0.474 177 G N 2.287 111.123 108.800 0.060 0.000 2.176 177 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.252 177 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.252 177 G C 0.578 175.511 174.900 0.056 0.000 1.024 177 G CA 0.325 45.452 45.100 0.045 0.000 0.755 177 G HN 1.438 nan 8.290 nan 0.000 0.507 178 G N -1.295 107.554 108.800 0.081 0.000 2.731 178 G HA2 0.314 4.273 3.960 -0.000 0.000 0.686 178 G HA3 0.314 4.273 3.960 -0.000 0.000 0.686 178 G C -0.704 174.297 174.900 0.167 0.000 1.395 178 G CA 0.439 45.601 45.100 0.104 0.000 0.870 178 G HN 2.116 nan 8.290 nan 0.000 0.591 179 H N 3.203 122.349 119.070 0.127 0.000 3.099 179 H HA 0.401 4.957 4.556 -0.000 0.000 0.342 179 H C -1.850 173.624 175.328 0.243 0.000 1.054 179 H CA -0.960 55.206 56.048 0.197 0.000 1.328 179 H CB 2.292 32.234 29.762 0.300 0.000 1.876 179 H HN 0.274 nan 8.280 nan 0.000 0.495 180 P HA -0.064 nan 4.420 nan 0.000 0.221 180 P C 0.914 178.455 177.300 0.401 0.000 1.145 180 P CA 1.329 64.590 63.100 0.269 0.000 0.795 180 P CB 0.152 31.925 31.700 0.122 0.000 0.775 181 A N -2.245 120.962 122.820 0.645 0.000 2.178 181 A HA 0.031 4.351 4.320 -0.000 0.000 0.211 181 A C 0.407 178.176 177.584 0.308 0.000 1.157 181 A CA 0.060 52.339 52.037 0.404 0.000 0.780 181 A CB -0.782 18.369 19.000 0.252 0.000 0.828 181 A HN 0.084 nan 8.150 nan 0.000 0.476 182 Y N 0.100 120.571 120.300 0.285 0.000 2.425 182 Y HA 0.352 4.902 4.550 -0.000 0.000 0.347 182 Y C 1.068 177.086 175.900 0.197 0.000 0.976 182 Y CA -0.066 58.192 58.100 0.264 0.000 1.190 182 Y CB 1.370 39.934 38.460 0.172 0.000 1.136 182 Y HN 0.078 nan 8.280 nan 0.000 0.517 183 V N 0.849 120.913 119.914 0.250 0.000 3.346 183 V HA 0.302 4.422 4.120 -0.000 0.000 0.309 183 V C 0.013 176.023 176.094 -0.139 0.000 1.457 183 V CA -0.338 61.985 62.300 0.038 0.000 1.069 183 V CB -0.263 31.548 31.823 -0.019 0.000 0.944 183 V HN 0.380 nan 8.190 nan 0.000 0.449 184 L N 3.008 124.150 121.223 -0.134 0.000 2.490 184 L HA 0.439 4.779 4.340 -0.000 0.000 0.274 184 L C -1.957 174.725 176.870 -0.312 0.000 1.201 184 L CA -1.190 53.434 54.840 -0.359 0.000 0.869 184 L CB -0.110 41.849 42.059 -0.166 0.000 1.123 184 L HN 0.201 nan 8.230 nan 0.000 0.484 185 P HA 0.109 nan 4.420 nan 0.000 0.271 185 P C 0.060 177.245 177.300 -0.191 0.000 1.218 185 P CA -0.192 62.751 63.100 -0.263 0.000 0.780 185 P CB 0.606 32.146 31.700 -0.266 0.000 0.901 186 A N 2.493 125.238 122.820 -0.125 0.000 1.917 186 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 186 A C 1.905 179.426 177.584 -0.104 0.000 1.182 186 A CA 1.865 53.837 52.037 -0.108 0.000 0.633 186 A CB -1.183 17.768 19.000 -0.082 0.000 0.819 186 A HN 0.539 nan 8.150 nan 0.000 0.448 187 E N -0.315 119.832 120.200 -0.089 0.000 2.097 187 E HA -0.140 4.210 4.350 -0.000 0.000 0.196 187 E C 1.991 178.546 176.600 -0.076 0.000 1.000 187 E CA 1.422 57.781 56.400 -0.068 0.000 0.804 187 E CB -0.547 29.128 29.700 -0.041 0.000 0.740 187 E HN 0.398 nan 8.360 nan 0.000 0.454 188 V N 1.413 121.267 119.914 -0.100 0.000 2.358 188 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 188 V C 1.612 177.658 176.094 -0.080 0.000 1.047 188 V CA 1.823 64.073 62.300 -0.083 0.000 1.035 188 V CB -0.505 31.226 31.823 -0.152 0.000 0.658 188 V HN 0.204 nan 8.190 nan 0.000 0.452 189 D N 0.119 120.451 120.400 -0.112 0.000 2.149 189 D HA -0.171 4.469 4.640 -0.000 0.000 0.198 189 D C 1.987 178.214 176.300 -0.121 0.000 0.990 189 D CA 1.348 55.277 54.000 -0.119 0.000 0.839 189 D CB -0.119 40.585 40.800 -0.160 0.000 0.948 189 D HN 0.383 nan 8.370 nan 0.000 0.460 190 L N 0.720 121.874 121.223 -0.114 0.000 2.044 190 L HA -0.032 4.308 4.340 -0.000 0.000 0.205 190 L C 2.163 178.959 176.870 -0.123 0.000 1.075 190 L CA 1.219 55.992 54.840 -0.111 0.000 0.747 190 L CB -0.544 41.460 42.059 -0.092 0.000 0.903 190 L HN -0.046 nan 8.230 nan 0.000 0.435 191 I N -0.058 120.428 120.570 -0.140 0.000 2.208 191 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 191 I C 2.591 178.520 176.117 -0.313 0.000 1.097 191 I CA 1.276 62.415 61.300 -0.268 0.000 1.363 191 I CB -0.663 37.228 38.000 -0.181 0.000 1.051 191 I HN 0.389 nan 8.210 nan 0.000 0.413 192 A N 0.225 122.999 122.820 -0.076 0.000 1.902 192 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 192 A C 2.382 180.044 177.584 0.130 0.000 1.181 192 A CA 2.380 54.479 52.037 0.104 0.000 0.623 192 A CB -1.038 18.026 19.000 0.108 0.000 0.818 192 A HN 0.379 nan 8.150 nan 0.000 0.443 193 T N 0.317 114.875 114.554 0.007 0.000 2.708 193 T HA -0.012 4.338 4.350 -0.000 0.000 0.266 193 T C 2.246 176.995 174.700 0.081 0.000 1.037 193 T CA 1.564 63.664 62.100 -0.000 0.000 1.146 193 T CB -0.479 68.316 68.868 -0.123 0.000 0.865 193 T HN 0.595 nan 8.240 nan 0.000 0.435 194 A N 1.139 123.962 122.820 0.005 0.000 1.908 194 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 194 A C 1.934 179.626 177.584 0.180 0.000 1.181 194 A CA 1.779 53.845 52.037 0.048 0.000 0.627 194 A CB -0.929 18.052 19.000 -0.032 0.000 0.818 194 A HN 0.728 nan 8.150 nan 0.000 0.445 195 H N -3.727 115.409 119.070 0.111 0.000 2.470 195 H HA -0.072 4.484 4.556 -0.000 0.000 0.289 195 H C 1.968 177.184 175.328 -0.186 0.000 1.033 195 H CA 1.114 57.173 56.048 0.018 0.000 1.331 195 H CB -0.093 29.714 29.762 0.075 0.000 1.414 195 H HN 0.676 nan 8.280 nan 0.000 0.545 196 Y N 1.800 122.103 120.300 0.004 0.000 2.097 196 Y HA -0.257 4.293 4.550 -0.000 0.000 0.282 196 Y C 2.082 178.064 175.900 0.138 0.000 1.152 196 Y CA 1.374 59.505 58.100 0.052 0.000 1.136 196 Y CB -0.538 38.043 38.460 0.202 0.000 0.975 196 Y HN 0.049 nan 8.280 nan 0.000 0.498 197 L N 0.067 121.542 121.223 0.420 0.000 2.046 197 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 197 L C 2.610 179.535 176.870 0.091 0.000 1.077 197 L CA 1.907 56.906 54.840 0.265 0.000 0.747 197 L CB -0.636 41.554 42.059 0.218 0.000 0.896 197 L HN 0.285 nan 8.230 nan 0.000 0.432 198 E N 0.163 120.405 120.200 0.070 0.000 2.077 198 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 198 E C 2.234 178.710 176.600 -0.207 0.000 0.989 198 E CA 1.147 57.536 56.400 -0.018 0.000 0.800 198 E CB -0.042 29.720 29.700 0.102 0.000 0.746 198 E HN 0.473 nan 8.360 nan 0.000 0.452 199 A N 0.827 123.501 122.820 -0.243 0.000 2.024 199 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 199 A C 2.110 179.632 177.584 -0.104 0.000 1.164 199 A CA 0.924 52.754 52.037 -0.345 0.000 0.643 199 A CB -0.573 18.178 19.000 -0.415 0.000 0.806 199 A HN 0.271 nan 8.150 nan 0.000 0.451 200 L N -1.120 120.082 121.223 -0.036 0.000 2.131 200 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 200 L C 2.728 179.527 176.870 -0.118 0.000 1.092 200 L CA 1.016 55.776 54.840 -0.134 0.000 0.759 200 L CB -0.406 41.542 42.059 -0.186 0.000 0.903 200 L HN 0.321 nan 8.230 nan 0.000 0.435 201 R N -0.720 119.701 120.500 -0.132 0.000 2.127 201 R HA 0.016 4.356 4.340 -0.000 0.000 0.217 201 R C 2.197 178.394 176.300 -0.172 0.000 1.074 201 R CA 0.751 56.775 56.100 -0.128 0.000 0.991 201 R CB -0.554 29.678 30.300 -0.113 0.000 0.895 201 R HN 0.226 nan 8.270 nan 0.000 0.450 202 V N 2.378 122.115 119.914 -0.295 0.000 2.427 202 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 202 V C 2.468 178.457 176.094 -0.176 0.000 1.051 202 V CA 2.079 64.163 62.300 -0.360 0.000 1.048 202 V CB -0.560 30.764 31.823 -0.832 0.000 0.666 202 V HN 0.345 nan 8.190 nan 0.000 0.456 203 Q N 0.149 119.879 119.800 -0.116 0.000 2.226 203 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 203 Q C 1.861 177.940 176.000 0.132 0.000 0.975 203 Q CA 2.057 57.875 55.803 0.025 0.000 0.866 203 Q CB -1.129 27.587 28.738 -0.036 0.000 0.915 203 Q HN 0.374 nan 8.270 nan 0.000 0.440 204 V N 0.823 120.749 119.914 0.021 0.000 2.427 204 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 204 V C 2.057 178.143 176.094 -0.013 0.000 1.051 204 V CA 2.150 64.453 62.300 0.005 0.000 1.048 204 V CB -0.413 31.391 31.823 -0.031 0.000 0.666 204 V HN 0.411 nan 8.190 nan 0.000 0.456 205 K N 0.074 120.452 120.400 -0.036 0.000 2.103 205 K HA -0.018 4.302 4.320 -0.000 0.000 0.204 205 K C 2.308 178.887 176.600 -0.035 0.000 1.052 205 K CA 1.250 57.505 56.287 -0.053 0.000 0.945 205 K CB -0.375 32.076 32.500 -0.081 0.000 0.722 205 K HN 0.453 nan 8.250 nan 0.000 0.443 206 A N 1.663 124.499 122.820 0.026 0.000 1.883 206 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 206 A C 2.385 179.993 177.584 0.040 0.000 1.186 206 A CA 1.978 54.063 52.037 0.080 0.000 0.624 206 A CB -0.769 18.361 19.000 0.215 0.000 0.822 206 A HN 0.328 nan 8.150 nan 0.000 0.444 207 A N -0.573 122.250 122.820 0.005 0.000 1.969 207 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 207 A C 2.213 179.744 177.584 -0.089 0.000 1.169 207 A CA 1.619 53.569 52.037 -0.145 0.000 0.635 207 A CB -0.451 18.404 19.000 -0.242 0.000 0.810 207 A HN 0.582 nan 8.150 nan 0.000 0.445 208 R N -0.271 120.190 120.500 -0.065 0.000 2.066 208 R HA -0.062 4.278 4.340 -0.000 0.000 0.232 208 R C 2.302 178.557 176.300 -0.075 0.000 1.131 208 R CA 1.419 57.478 56.100 -0.069 0.000 0.955 208 R CB -0.442 29.819 30.300 -0.066 0.000 0.851 208 R HN 0.397 nan 8.270 nan 0.000 0.432 209 A N 1.267 124.030 122.820 -0.096 0.000 1.873 209 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 209 A C 2.257 179.881 177.584 0.067 0.000 1.193 209 A CA 1.843 53.795 52.037 -0.141 0.000 0.629 209 A CB -0.683 18.103 19.000 -0.357 0.000 0.826 209 A HN 0.540 nan 8.150 nan 0.000 0.447 210 M N -0.447 119.184 119.600 0.052 0.000 2.106 210 M HA -0.193 4.287 4.480 -0.000 0.000 0.259 210 M C 2.144 178.410 176.300 -0.057 0.000 1.068 210 M CA 1.825 57.157 55.300 0.052 0.000 1.100 210 M CB -0.205 32.387 32.600 -0.013 0.000 1.351 210 M HN 0.437 nan 8.290 nan 0.000 0.404 211 A N -0.198 122.575 122.820 -0.078 0.000 2.119 211 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 211 A C 1.891 179.391 177.584 -0.140 0.000 1.153 211 A CA 0.965 52.939 52.037 -0.105 0.000 0.692 211 A CB -0.874 18.080 19.000 -0.077 0.000 0.799 211 A HN 0.602 nan 8.150 nan 0.000 0.458 212 I N -1.685 118.784 120.570 -0.167 0.000 2.226 212 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 212 I C 1.971 177.833 176.117 -0.426 0.000 1.100 212 I CA 1.384 62.509 61.300 -0.292 0.000 1.374 212 I CB -0.182 37.615 38.000 -0.337 0.000 1.057 212 I HN 0.353 nan 8.210 nan 0.000 0.413 213 F N -0.245 119.576 119.950 -0.215 0.000 2.387 213 F HA 0.130 4.657 4.527 -0.000 0.000 0.294 213 F C 2.375 177.718 175.800 -0.761 0.000 1.093 213 F CA 0.821 58.558 58.000 -0.438 0.000 1.420 213 F CB -1.062 37.622 39.000 -0.528 0.000 1.086 213 F HN -0.058 nan 8.300 nan 0.000 0.531 214 G N -1.307 107.162 108.800 -0.551 0.000 2.985 214 G HA2 0.337 4.297 3.960 -0.000 0.000 0.209 214 G HA3 0.337 4.297 3.960 -0.000 0.000 0.209 214 G C 1.353 176.165 174.900 -0.146 0.000 1.165 214 G CA 0.661 45.371 45.100 -0.650 0.000 0.776 214 G HN 0.453 nan 8.290 nan 0.000 0.541 215 A N -0.624 122.139 122.820 -0.096 0.000 2.640 215 A HA -0.172 4.148 4.320 -0.000 0.000 0.233 215 A C 0.822 178.403 177.584 -0.005 0.000 0.621 215 A CA 1.947 53.982 52.037 -0.003 0.000 1.214 215 A CB -1.631 17.418 19.000 0.082 0.000 1.351 215 A HN 1.335 nan 8.150 nan 0.000 0.694 216 K N -0.940 119.461 120.400 0.001 0.000 2.625 216 K HA 0.624 4.944 4.320 -0.000 0.000 0.284 216 K C -1.112 175.489 176.600 0.002 0.000 0.984 216 K CA -0.130 56.158 56.287 0.002 0.000 0.865 216 K CB 0.932 33.448 32.500 0.027 0.000 1.468 216 K HN 0.798 nan 8.250 nan 0.000 0.407 217 N N 1.152 119.837 118.700 -0.025 0.000 2.397 217 N HA 0.462 5.202 4.740 -0.000 0.000 0.291 217 N C -2.755 172.715 175.510 -0.066 0.000 1.065 217 N CA -1.051 51.969 53.050 -0.049 0.000 0.884 217 N CB 1.798 40.220 38.487 -0.108 0.000 1.551 217 N HN 0.527 nan 8.380 nan 0.000 0.487 218 P HA 0.354 nan 4.420 nan 0.000 0.276 218 P C -1.373 175.924 177.300 -0.005 0.000 1.252 218 P CA 0.141 63.173 63.100 -0.112 0.000 0.802 218 P CB 0.376 31.912 31.700 -0.273 0.000 1.035 219 H N -1.844 117.278 119.070 0.086 0.000 3.286 219 H HA -0.088 4.468 4.556 -0.000 0.000 0.358 219 H C 0.031 175.441 175.328 0.138 0.000 1.143 219 H CA 0.231 56.350 56.048 0.118 0.000 1.147 219 H CB -2.216 27.600 29.762 0.090 0.000 1.568 219 H HN 0.586 nan 8.280 nan 0.000 0.401 220 T N -1.052 113.692 114.554 0.317 0.000 2.734 220 T HA 0.332 4.682 4.350 -0.000 0.000 0.314 220 T C 0.749 175.645 174.700 0.326 0.000 1.057 220 T CA -0.366 61.910 62.100 0.293 0.000 1.047 220 T CB 1.923 71.007 68.868 0.360 0.000 0.991 220 T HN 0.573 nan 8.240 nan 0.000 0.540 221 Q N 0.574 120.585 119.800 0.353 0.000 3.712 221 Q HA 0.378 4.718 4.340 -0.000 0.000 0.242 221 Q C -0.805 175.404 176.000 0.349 0.000 0.837 221 Q CA -0.502 55.481 55.803 0.300 0.000 0.826 221 Q CB 0.162 29.017 28.738 0.195 0.000 1.529 221 Q HN 0.865 nan 8.270 nan 0.000 0.405 222 F N -2.110 117.897 119.950 0.095 0.000 2.974 222 F HA 0.379 4.906 4.527 -0.000 0.000 0.357 222 F C 0.048 175.885 175.800 0.061 0.000 1.114 222 F CA -0.333 57.703 58.000 0.061 0.000 1.099 222 F CB 0.507 39.529 39.000 0.037 0.000 1.205 222 F HN 0.018 nan 8.300 nan 0.000 0.535 223 T N 1.332 115.550 114.554 -0.561 0.000 2.902 223 T HA 0.768 5.118 4.350 -0.000 0.000 0.283 223 T C -0.371 174.221 174.700 -0.180 0.000 1.009 223 T CA -0.233 61.546 62.100 -0.534 0.000 1.051 223 T CB 2.162 70.695 68.868 -0.557 0.000 0.999 223 T HN 0.569 nan 8.240 nan 0.000 0.474 224 V N -1.156 118.701 119.914 -0.095 0.000 3.188 224 V HA 0.686 4.806 4.120 -0.000 0.000 0.305 224 V C -0.107 175.983 176.094 -0.006 0.000 1.232 224 V CA -1.468 60.855 62.300 0.039 0.000 1.043 224 V CB 1.348 33.295 31.823 0.206 0.000 1.068 224 V HN 0.843 nan 8.190 nan 0.000 0.439 225 V N 2.339 122.231 119.914 -0.036 0.000 2.617 225 V HA 0.455 4.575 4.120 -0.000 0.000 0.304 225 V C 1.694 177.660 176.094 -0.214 0.000 1.040 225 V CA 1.845 63.968 62.300 -0.295 0.000 1.149 225 V CB -0.107 31.303 31.823 -0.688 0.000 0.914 225 V HN 2.008 nan 8.190 nan 0.000 0.487 226 G N 2.671 111.272 108.800 -0.333 0.000 2.194 226 G HA2 0.127 4.087 3.960 -0.000 0.000 0.236 226 G HA3 0.127 4.087 3.960 -0.000 0.000 0.236 226 G C 0.742 175.497 174.900 -0.241 0.000 0.987 226 G CA 0.149 45.051 45.100 -0.330 0.000 0.635 226 G HN 2.056 nan 8.290 nan 0.000 0.520 227 G N -1.843 106.905 108.800 -0.087 0.000 2.249 227 G HA2 0.387 4.347 3.960 -0.000 0.000 0.089 227 G HA3 0.387 4.347 3.960 -0.000 0.000 0.089 227 G C -0.392 174.490 174.900 -0.029 0.000 1.206 227 G CA 0.499 45.575 45.100 -0.040 0.000 1.190 227 G HN 1.438 nan 8.290 nan 0.000 0.454 228 C N -0.462 118.844 119.300 0.010 0.000 3.154 228 C HA 0.783 5.243 4.460 -0.000 0.000 0.312 228 C C 1.482 176.427 174.990 -0.075 0.000 1.349 228 C CA 0.464 59.442 59.018 -0.068 0.000 1.518 228 C CB 1.378 29.101 27.740 -0.029 0.000 1.934 228 C HN 1.276 nan 8.230 nan 0.000 0.462 229 T N -2.713 111.796 114.554 -0.076 0.000 2.985 229 T HA 0.075 4.425 4.350 -0.000 0.000 0.254 229 T C 0.387 174.953 174.700 -0.222 0.000 1.021 229 T CA 0.324 62.338 62.100 -0.144 0.000 0.957 229 T CB -0.308 68.559 68.868 -0.001 0.000 1.047 229 T HN 0.524 nan 8.240 nan 0.000 0.511 230 N N 1.235 119.872 118.700 -0.106 0.000 3.050 230 N HA 0.176 4.916 4.740 -0.000 0.000 0.289 230 N C -0.056 175.428 175.510 -0.044 0.000 1.209 230 N CA -0.497 52.554 53.050 0.002 0.000 1.154 230 N CB -0.513 38.059 38.487 0.143 0.000 1.444 230 N HN 0.390 nan 8.380 nan 0.000 0.529 231 Y N -0.135 120.219 120.300 0.092 0.000 2.293 231 Y HA -0.160 4.390 4.550 -0.000 0.000 0.291 231 Y C 2.084 178.022 175.900 0.064 0.000 1.137 231 Y CA 1.013 59.156 58.100 0.072 0.000 1.202 231 Y CB -0.207 38.283 38.460 0.049 0.000 0.990 231 Y HN 0.388 nan 8.280 nan 0.000 0.537 232 D N -0.099 120.416 120.400 0.191 0.000 2.190 232 D HA -0.190 4.449 4.640 -0.000 0.000 0.200 232 D C 2.054 178.401 176.300 0.079 0.000 0.992 232 D CA 1.636 55.704 54.000 0.113 0.000 0.854 232 D CB -0.197 40.650 40.800 0.077 0.000 0.936 232 D HN 0.284 nan 8.370 nan 0.000 0.462 233 S N -0.979 114.771 115.700 0.084 0.000 2.555 233 S HA -0.040 4.430 4.470 -0.000 0.000 0.230 233 S C 1.581 176.256 174.600 0.124 0.000 0.978 233 S CA 0.011 58.244 58.200 0.054 0.000 0.934 233 S CB -0.153 63.116 63.200 0.115 0.000 0.766 233 S HN 0.179 nan 8.310 nan 0.000 0.533 234 L N 1.421 122.725 121.223 0.135 0.000 2.599 234 L HA 0.331 4.671 4.340 -0.000 0.000 0.230 234 L C 1.060 177.986 176.870 0.093 0.000 1.141 234 L CA 0.419 55.337 54.840 0.131 0.000 0.877 234 L CB -0.862 41.284 42.059 0.144 0.000 1.009 234 L HN 0.275 nan 8.230 nan 0.000 0.447 235 R N 0.347 120.890 120.500 0.071 0.000 2.491 235 R HA 0.082 4.422 4.340 -0.000 0.000 0.283 235 R C -1.260 175.065 176.300 0.041 0.000 1.072 235 R CA -1.477 54.652 56.100 0.050 0.000 1.048 235 R CB -0.021 30.301 30.300 0.036 0.000 0.983 235 R HN -0.099 nan 8.270 nan 0.000 0.450 236 P HA -0.242 nan 4.420 nan 0.000 0.218 236 P C 0.388 177.707 177.300 0.031 0.000 1.154 236 P CA 1.484 64.606 63.100 0.037 0.000 0.872 236 P CB 0.288 32.007 31.700 0.030 0.000 0.790 237 E N -0.700 119.513 120.200 0.021 0.000 2.058 237 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 237 E C 2.114 178.716 176.600 0.004 0.000 0.997 237 E CA 1.173 57.581 56.400 0.012 0.000 0.801 237 E CB -0.699 29.005 29.700 0.007 0.000 0.746 237 E HN 0.249 nan 8.360 nan 0.000 0.450 238 R N 0.215 120.710 120.500 -0.008 0.000 2.075 238 R HA 0.024 4.364 4.340 -0.000 0.000 0.232 238 R C 2.515 178.788 176.300 -0.046 0.000 1.126 238 R CA 0.957 57.027 56.100 -0.050 0.000 0.963 238 R CB -0.545 29.706 30.300 -0.082 0.000 0.858 238 R HN 0.264 nan 8.270 nan 0.000 0.435 239 I N 1.012 121.587 120.570 0.007 0.000 2.226 239 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 239 I C 2.562 178.746 176.117 0.112 0.000 1.100 239 I CA 1.289 62.629 61.300 0.067 0.000 1.374 239 I CB -0.336 37.718 38.000 0.091 0.000 1.057 239 I HN 0.130 nan 8.210 nan 0.000 0.413 240 A N -0.240 122.625 122.820 0.074 0.000 1.969 240 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 240 A C 2.310 179.937 177.584 0.072 0.000 1.169 240 A CA 1.656 53.738 52.037 0.075 0.000 0.635 240 A CB -0.507 18.520 19.000 0.046 0.000 0.810 240 A HN 0.473 nan 8.150 nan 0.000 0.445 241 E N -1.350 118.878 120.200 0.046 0.000 2.072 241 E HA -0.148 4.202 4.350 -0.000 0.000 0.190 241 E C 1.734 178.354 176.600 0.033 0.000 0.982 241 E CA 0.896 57.307 56.400 0.019 0.000 0.803 241 E CB -0.208 29.483 29.700 -0.015 0.000 0.755 241 E HN 0.601 nan 8.360 nan 0.000 0.453 242 F N 1.962 121.854 119.950 -0.096 0.000 2.091 242 F HA -0.228 4.298 4.527 -0.000 0.000 0.299 242 F C 2.527 178.363 175.800 0.059 0.000 1.103 242 F CA 1.980 59.936 58.000 -0.073 0.000 1.228 242 F CB -0.156 38.751 39.000 -0.156 0.000 0.984 242 F HN -0.119 nan 8.300 nan 0.000 0.477 243 R N 0.613 121.294 120.500 0.301 0.000 2.091 243 R HA -0.237 4.103 4.340 -0.000 0.000 0.238 243 R C 2.458 178.849 176.300 0.152 0.000 1.136 243 R CA 2.046 58.320 56.100 0.290 0.000 0.959 243 R CB -0.403 30.038 30.300 0.235 0.000 0.856 243 R HN 0.358 nan 8.270 nan 0.000 0.437 244 K N 0.405 120.840 120.400 0.058 0.000 2.025 244 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 244 K C 2.152 178.720 176.600 -0.054 0.000 1.049 244 K CA 1.340 57.627 56.287 0.001 0.000 0.933 244 K CB -0.114 32.384 32.500 -0.004 0.000 0.714 244 K HN 0.177 nan 8.250 nan 0.000 0.438 245 L N 0.285 121.452 121.223 -0.093 0.000 2.046 245 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 245 L C 2.606 179.380 176.870 -0.159 0.000 1.077 245 L CA 1.498 56.257 54.840 -0.136 0.000 0.747 245 L CB -0.718 41.237 42.059 -0.174 0.000 0.896 245 L HN 0.310 nan 8.230 nan 0.000 0.432 246 Y N 1.117 121.210 120.300 -0.345 0.000 2.224 246 Y HA -0.251 4.299 4.550 -0.000 0.000 0.289 246 Y C 2.347 178.171 175.900 -0.126 0.000 1.146 246 Y CA 1.477 59.388 58.100 -0.315 0.000 1.182 246 Y CB -0.234 37.976 38.460 -0.416 0.000 0.983 246 Y HN 0.022 nan 8.280 nan 0.000 0.524 247 K N 0.214 120.363 120.400 -0.418 0.000 2.103 247 K HA -0.117 4.203 4.320 -0.000 0.000 0.204 247 K C 1.985 178.426 176.600 -0.266 0.000 1.052 247 K CA 1.576 57.598 56.287 -0.441 0.000 0.945 247 K CB -0.135 32.247 32.500 -0.197 0.000 0.722 247 K HN 0.460 nan 8.250 nan 0.000 0.443 248 E N 0.578 120.679 120.200 -0.166 0.000 2.051 248 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 248 E C 2.059 178.622 176.600 -0.061 0.000 0.991 248 E CA 1.338 57.683 56.400 -0.092 0.000 0.799 248 E CB -0.046 29.608 29.700 -0.077 0.000 0.748 248 E HN 0.028 nan 8.360 nan 0.000 0.449 249 V N 1.284 121.145 119.914 -0.088 0.000 2.358 249 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 249 V C 2.441 178.554 176.094 0.032 0.000 1.047 249 V CA 1.963 64.258 62.300 -0.009 0.000 1.035 249 V CB -0.542 31.279 31.823 -0.005 0.000 0.658 249 V HN 0.205 nan 8.190 nan 0.000 0.452 250 R N 0.436 120.858 120.500 -0.131 0.000 2.083 250 R HA -0.206 4.133 4.340 -0.000 0.000 0.237 250 R C 2.278 178.541 176.300 -0.062 0.000 1.137 250 R CA 2.109 58.122 56.100 -0.145 0.000 0.951 250 R CB -0.304 29.736 30.300 -0.434 0.000 0.851 250 R HN 0.603 nan 8.270 nan 0.000 0.434 251 E N -0.459 119.696 120.200 -0.074 0.000 2.085 251 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 251 E C 1.777 178.392 176.600 0.025 0.000 0.994 251 E CA 1.472 57.852 56.400 -0.034 0.000 0.801 251 E CB -0.246 29.434 29.700 -0.033 0.000 0.743 251 E HN 0.367 nan 8.360 nan 0.000 0.453 252 F N 1.340 121.257 119.950 -0.056 0.000 2.186 252 F HA -0.145 4.382 4.527 -0.000 0.000 0.299 252 F C 1.991 177.809 175.800 0.030 0.000 1.090 252 F CA 1.133 59.115 58.000 -0.031 0.000 1.307 252 F CB 0.003 38.982 39.000 -0.034 0.000 1.019 252 F HN -0.095 nan 8.300 nan 0.000 0.489 253 I N 0.200 120.885 120.570 0.191 0.000 2.179 253 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 253 I C 2.260 178.358 176.117 -0.032 0.000 1.088 253 I CA 1.765 63.168 61.300 0.172 0.000 1.357 253 I CB -0.587 37.538 38.000 0.208 0.000 1.051 253 I HN 0.183 nan 8.210 nan 0.000 0.409 254 E N 0.240 120.406 120.200 -0.056 0.000 2.106 254 E HA -0.231 4.119 4.350 -0.000 0.000 0.192 254 E C 2.083 178.602 176.600 -0.136 0.000 0.984 254 E CA 1.074 57.413 56.400 -0.101 0.000 0.806 254 E CB 0.046 29.699 29.700 -0.078 0.000 0.750 254 E HN 0.567 nan 8.360 nan 0.000 0.458 255 Q N -0.746 118.959 119.800 -0.158 0.000 2.378 255 Q HA 0.057 4.397 4.340 -0.000 0.000 0.216 255 Q C 1.558 177.409 176.000 -0.249 0.000 0.892 255 Q CA 0.301 56.003 55.803 -0.168 0.000 0.931 255 Q CB 1.261 29.923 28.738 -0.126 0.000 1.086 255 Q HN 0.106 nan 8.270 nan 0.000 0.528 256 V N -1.186 118.484 119.914 -0.408 0.000 3.029 256 V HA -0.080 4.040 4.120 -0.000 0.000 0.230 256 V C 1.452 177.384 176.094 -0.270 0.000 1.254 256 V CA 0.348 62.319 62.300 -0.549 0.000 1.276 256 V CB -0.525 30.552 31.823 -1.244 0.000 1.080 256 V HN 0.229 nan 8.190 nan 0.000 0.495 257 Y N 1.747 121.791 120.300 -0.427 0.000 2.070 257 Y HA -0.199 4.351 4.550 -0.000 0.000 0.280 257 Y C 2.365 178.044 175.900 -0.368 0.000 1.148 257 Y CA 1.693 59.644 58.100 -0.248 0.000 1.125 257 Y CB -0.582 37.808 38.460 -0.117 0.000 0.975 257 Y HN 0.115 nan 8.280 nan 0.000 0.492 258 I N 0.732 121.069 120.570 -0.388 0.000 2.226 258 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 258 I C 2.574 178.521 176.117 -0.284 0.000 1.100 258 I CA 2.162 63.175 61.300 -0.479 0.000 1.374 258 I CB -1.988 35.786 38.000 -0.377 0.000 1.057 258 I HN 0.446 nan 8.210 nan 0.000 0.413 259 T N -2.062 112.385 114.554 -0.178 0.000 2.857 259 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 259 T C 1.608 176.288 174.700 -0.034 0.000 1.048 259 T CA 1.089 63.129 62.100 -0.100 0.000 1.139 259 T CB -0.295 68.531 68.868 -0.069 0.000 0.874 259 T HN 0.132 nan 8.240 nan 0.000 0.455 260 D N 1.214 121.627 120.400 0.021 0.000 2.097 260 D HA -0.011 4.629 4.640 -0.000 0.000 0.195 260 D C 2.008 178.352 176.300 0.073 0.000 0.989 260 D CA 0.644 54.737 54.000 0.156 0.000 0.827 260 D CB -0.569 40.462 40.800 0.385 0.000 0.966 260 D HN 0.253 nan 8.370 nan 0.000 0.456 261 L N 0.700 121.814 121.223 -0.181 0.000 1.990 261 L HA -0.161 4.179 4.340 -0.000 0.000 0.213 261 L C 2.178 178.963 176.870 -0.141 0.000 1.072 261 L CA 1.577 56.254 54.840 -0.271 0.000 0.755 261 L CB -0.667 41.068 42.059 -0.540 0.000 0.889 261 L HN 0.053 nan 8.230 nan 0.000 0.432 262 L N -1.014 120.120 121.223 -0.149 0.000 2.056 262 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 262 L C 2.684 179.514 176.870 -0.066 0.000 1.078 262 L CA 1.064 55.832 54.840 -0.119 0.000 0.749 262 L CB -1.093 40.889 42.059 -0.128 0.000 0.901 262 L HN 0.378 nan 8.230 nan 0.000 0.433 263 A N 0.114 122.928 122.820 -0.010 0.000 1.873 263 A HA -0.191 4.128 4.320 -0.000 0.000 0.218 263 A C 2.360 180.036 177.584 0.155 0.000 1.193 263 A CA 2.268 54.343 52.037 0.063 0.000 0.629 263 A CB -0.983 18.092 19.000 0.125 0.000 0.826 263 A HN 0.183 nan 8.150 nan 0.000 0.447 264 V N -0.266 119.746 119.914 0.164 0.000 2.307 264 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 264 V C 3.080 179.262 176.094 0.148 0.000 1.045 264 V CA 1.858 64.289 62.300 0.219 0.000 1.024 264 V CB -1.336 30.556 31.823 0.114 0.000 0.651 264 V HN 0.651 nan 8.190 nan 0.000 0.449 265 A N 0.745 123.544 122.820 -0.035 0.000 1.927 265 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 265 A C 2.438 180.007 177.584 -0.024 0.000 1.185 265 A CA 2.249 54.234 52.037 -0.087 0.000 0.639 265 A CB -1.424 17.495 19.000 -0.135 0.000 0.820 265 A HN 0.572 nan 8.150 nan 0.000 0.451 266 G N -1.639 107.105 108.800 -0.094 0.000 2.475 266 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.220 266 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.220 266 G C 1.178 175.897 174.900 -0.301 0.000 1.125 266 G CA 1.191 46.147 45.100 -0.239 0.000 0.755 266 G HN 0.496 nan 8.290 nan 0.000 0.565 267 F N -1.458 118.439 119.950 -0.089 0.000 2.789 267 F HA 0.325 4.852 4.527 -0.000 0.000 0.300 267 F C 0.803 176.395 175.800 -0.346 0.000 1.132 267 F CA -0.024 57.842 58.000 -0.224 0.000 1.404 267 F CB 0.265 39.075 39.000 -0.317 0.000 1.114 267 F HN 0.110 nan 8.300 nan 0.000 0.584 268 Y N -0.828 119.573 120.300 0.170 0.000 2.699 268 Y HA 0.235 4.784 4.550 -0.000 0.000 0.282 268 Y C 1.409 177.444 175.900 0.224 0.000 1.058 268 Y CA -0.637 57.607 58.100 0.240 0.000 1.194 268 Y CB -0.149 38.384 38.460 0.121 0.000 1.193 268 Y HN -0.142 nan 8.280 nan 0.000 0.562 269 K N 0.621 121.143 120.400 0.204 0.000 2.211 269 K HA -0.227 4.093 4.320 -0.000 0.000 0.204 269 K C 1.421 178.121 176.600 0.166 0.000 1.047 269 K CA 1.913 58.278 56.287 0.131 0.000 0.935 269 K CB -0.156 32.366 32.500 0.036 0.000 0.728 269 K HN 0.732 nan 8.250 nan 0.000 0.452 270 N N -0.810 118.017 118.700 0.212 0.000 2.364 270 N HA -0.182 4.558 4.740 -0.000 0.000 0.183 270 N C 1.106 176.654 175.510 0.063 0.000 1.022 270 N CA 0.666 53.786 53.050 0.116 0.000 0.883 270 N CB -0.298 38.240 38.487 0.085 0.000 0.965 270 N HN 0.187 nan 8.380 nan 0.000 0.438 271 W N 0.781 122.185 121.300 0.174 0.000 2.961 271 W HA 0.283 4.943 4.660 -0.000 0.000 0.240 271 W C 2.031 178.618 176.519 0.113 0.000 1.305 271 W CA 0.301 57.752 57.345 0.177 0.000 1.465 271 W CB -0.113 29.506 29.460 0.265 0.000 1.135 271 W HN 0.233 nan 8.180 nan 0.000 0.688 272 A N -0.355 122.583 122.820 0.197 0.000 2.167 272 A HA 0.157 4.477 4.320 -0.000 0.000 0.214 272 A C 2.121 179.752 177.584 0.077 0.000 1.151 272 A CA 1.362 53.468 52.037 0.114 0.000 0.735 272 A CB -0.658 18.381 19.000 0.065 0.000 0.802 272 A HN 0.227 nan 8.150 nan 0.000 0.467 273 G N -0.844 107.978 108.800 0.036 0.000 3.277 273 G HA2 0.458 4.418 3.960 -0.000 0.000 0.243 273 G HA3 0.458 4.418 3.960 -0.000 0.000 0.243 273 G C 0.163 175.044 174.900 -0.031 0.000 1.107 273 G CA -0.105 44.997 45.100 0.004 0.000 0.771 273 G HN 0.348 nan 8.290 nan 0.000 0.544 274 I N -0.445 120.108 120.570 -0.029 0.000 2.569 274 I HA 0.536 4.706 4.170 -0.000 0.000 0.296 274 I C 1.021 177.199 176.117 0.102 0.000 1.028 274 I CA -0.574 60.685 61.300 -0.068 0.000 1.082 274 I CB 2.162 39.921 38.000 -0.401 0.000 1.264 274 I HN 0.126 nan 8.210 nan 0.000 0.429 275 G N 3.570 112.435 108.800 0.108 0.000 2.225 275 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.264 275 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.264 275 G C 0.042 175.050 174.900 0.181 0.000 1.060 275 G CA 0.005 45.215 45.100 0.182 0.000 0.833 275 G HN 0.703 nan 8.290 nan 0.000 0.498 276 K N 0.797 121.282 120.400 0.141 0.000 2.350 276 K HA 0.536 4.856 4.320 -0.000 0.000 0.279 276 K C 0.963 177.642 176.600 0.132 0.000 1.027 276 K CA 0.558 56.941 56.287 0.159 0.000 0.969 276 K CB 0.352 32.923 32.500 0.118 0.000 0.954 276 K HN 0.438 nan 8.250 nan 0.000 0.474 277 T N -0.306 114.346 114.554 0.164 0.000 2.831 277 T HA 0.401 4.751 4.350 -0.000 0.000 0.287 277 T C 0.280 174.943 174.700 -0.062 0.000 1.070 277 T CA -0.851 61.270 62.100 0.035 0.000 1.010 277 T CB 1.796 70.687 68.868 0.038 0.000 1.264 277 T HN 0.401 nan 8.240 nan 0.000 0.532 278 S N -0.180 115.326 115.700 -0.323 0.000 2.930 278 S HA 0.297 4.767 4.470 -0.000 0.000 0.253 278 S C 0.174 174.407 174.600 -0.612 0.000 1.083 278 S CA -0.292 57.702 58.200 -0.344 0.000 0.836 278 S CB 0.100 63.172 63.200 -0.213 0.000 0.814 278 S HN 0.732 nan 8.310 nan 0.000 0.467 279 N N 1.097 119.219 118.700 -0.963 0.000 2.430 279 N HA 0.592 5.332 4.740 -0.000 0.000 0.292 279 N C -1.460 173.242 175.510 -1.348 0.000 1.051 279 N CA 0.015 52.312 53.050 -1.255 0.000 0.917 279 N CB 1.021 38.286 38.487 -2.037 0.000 1.164 279 N HN 0.113 nan 8.380 nan 0.000 0.484 280 F N 1.053 120.821 119.950 -0.304 0.000 2.565 280 F HA 0.574 5.101 4.527 -0.000 0.000 0.313 280 F C -0.236 175.615 175.800 0.085 0.000 1.091 280 F CA -1.162 56.842 58.000 0.006 0.000 0.915 280 F CB 1.535 40.528 39.000 -0.011 0.000 1.208 280 F HN 0.219 nan 8.300 nan 0.000 0.453 281 L N -0.028 121.241 121.223 0.078 0.000 2.469 281 L HA 1.001 5.341 4.340 -0.000 0.000 0.256 281 L C -0.798 175.865 176.870 -0.346 0.000 1.006 281 L CA -0.517 54.165 54.840 -0.263 0.000 0.832 281 L CB 1.906 43.542 42.059 -0.705 0.000 1.421 281 L HN 0.623 nan 8.230 nan 0.000 0.410 282 T N -0.886 113.401 114.554 -0.445 0.000 2.885 282 T HA 0.416 4.766 4.350 -0.000 0.000 0.322 282 T C 0.499 174.773 174.700 -0.709 0.000 1.387 282 T CA 0.054 61.861 62.100 -0.489 0.000 1.041 282 T CB 1.110 69.814 68.868 -0.273 0.000 1.287 282 T HN 1.346 nan 8.240 nan 0.000 0.491 283 C N 1.674 120.518 119.300 -0.760 0.000 2.696 283 C HA 0.730 5.190 4.460 -0.000 0.000 0.264 283 C C 1.514 176.280 174.990 -0.373 0.000 1.288 283 C CA 0.073 58.626 59.018 -0.775 0.000 1.717 283 C CB -1.771 25.523 27.740 -0.744 0.000 1.893 283 C HN 1.700 nan 8.230 nan 0.000 0.577 284 G N 0.588 109.220 108.800 -0.280 0.000 2.758 284 G HA2 0.217 4.177 3.960 -0.000 0.000 0.686 284 G HA3 0.217 4.177 3.960 -0.000 0.000 0.686 284 G C -1.059 173.734 174.900 -0.179 0.000 1.389 284 G CA 0.146 45.142 45.100 -0.174 0.000 0.845 284 G HN 0.807 nan 8.290 nan 0.000 0.572 285 E N -1.083 119.021 120.200 -0.160 0.000 2.429 285 E HA 0.762 5.112 4.350 -0.000 0.000 0.276 285 E C -0.157 176.298 176.600 -0.241 0.000 0.953 285 E CA -0.785 55.378 56.400 -0.394 0.000 0.787 285 E CB 0.655 29.881 29.700 -0.790 0.000 1.307 285 E HN 1.561 nan 8.360 nan 0.000 0.458 286 F N -0.489 119.393 119.950 -0.114 0.000 2.659 286 F HA -0.130 4.397 4.527 -0.000 0.000 0.368 286 F C -2.150 173.558 175.800 -0.154 0.000 1.083 286 F CA 0.344 58.199 58.000 -0.242 0.000 1.195 286 F CB -1.607 37.284 39.000 -0.180 0.000 1.616 286 F HN 0.204 nan 8.300 nan 0.000 0.801 287 P HA 0.251 nan 4.420 nan 0.000 0.279 287 P C 0.774 178.044 177.300 -0.049 0.000 1.252 287 P CA 0.093 63.173 63.100 -0.033 0.000 0.811 287 P CB 1.440 33.094 31.700 -0.076 0.000 1.035 288 T N -3.452 111.104 114.554 0.003 0.000 3.037 288 T HA 0.085 4.435 4.350 -0.000 0.000 0.252 288 T C 0.315 175.016 174.700 0.001 0.000 1.073 288 T CA 0.453 62.553 62.100 -0.001 0.000 1.091 288 T CB -0.193 68.699 68.868 0.040 0.000 0.935 288 T HN 0.332 nan 8.240 nan 0.000 0.488 289 D N 0.926 121.332 120.400 0.010 0.000 2.505 289 D HA 0.208 4.848 4.640 -0.000 0.000 0.250 289 D C 0.591 176.894 176.300 0.005 0.000 1.164 289 D CA -0.427 53.593 54.000 0.034 0.000 0.870 289 D CB 1.697 42.535 40.800 0.062 0.000 1.160 289 D HN -0.028 nan 8.370 nan 0.000 0.549 290 E N 2.490 122.672 120.200 -0.031 0.000 2.472 290 E HA -0.134 4.216 4.350 -0.000 0.000 0.200 290 E C 0.312 176.696 176.600 -0.360 0.000 1.046 290 E CA 0.659 56.936 56.400 -0.205 0.000 0.871 290 E CB 0.262 29.788 29.700 -0.289 0.000 0.806 290 E HN 0.622 nan 8.360 nan 0.000 0.533 291 Y N -0.105 120.185 120.300 -0.016 0.000 2.507 291 Y HA 0.163 4.713 4.550 -0.000 0.000 0.254 291 Y C 0.210 176.122 175.900 0.019 0.000 1.171 291 Y CA -0.346 57.755 58.100 0.003 0.000 1.238 291 Y CB 0.866 39.325 38.460 -0.002 0.000 1.148 291 Y HN -0.185 nan 8.280 nan 0.000 0.525 292 D N -0.012 120.445 120.400 0.095 0.000 2.386 292 D HA 0.206 4.846 4.640 -0.000 0.000 0.247 292 D C 0.547 176.869 176.300 0.037 0.000 1.336 292 D CA -0.138 53.907 54.000 0.075 0.000 0.976 292 D CB 0.745 41.591 40.800 0.078 0.000 1.257 292 D HN 0.102 nan 8.370 nan 0.000 0.570 293 L N 2.285 123.523 121.223 0.025 0.000 2.189 293 L HA -0.160 4.180 4.340 -0.000 0.000 0.214 293 L C 1.511 178.383 176.870 0.004 0.000 1.097 293 L CA 0.795 55.632 54.840 -0.005 0.000 0.764 293 L CB -0.203 41.840 42.059 -0.026 0.000 0.900 293 L HN 0.366 nan 8.230 nan 0.000 0.436 294 N N -0.506 118.208 118.700 0.024 0.000 2.515 294 N HA -0.082 4.658 4.740 -0.000 0.000 0.185 294 N C 1.854 177.391 175.510 0.046 0.000 1.109 294 N CA 1.102 54.171 53.050 0.031 0.000 0.903 294 N CB 0.056 38.565 38.487 0.036 0.000 0.969 294 N HN 0.350 nan 8.380 nan 0.000 0.450 295 S N -0.414 115.314 115.700 0.047 0.000 2.603 295 S HA 0.132 4.602 4.470 -0.000 0.000 0.220 295 S C 0.802 175.452 174.600 0.084 0.000 0.967 295 S CA -0.298 57.939 58.200 0.063 0.000 0.920 295 S CB 0.272 63.503 63.200 0.052 0.000 0.773 295 S HN 0.080 nan 8.310 nan 0.000 0.529 296 R N 0.313 120.855 120.500 0.071 0.000 2.441 296 R HA 0.234 4.574 4.340 -0.000 0.000 0.284 296 R C 0.795 177.214 176.300 0.198 0.000 1.070 296 R CA -0.288 55.876 56.100 0.106 0.000 1.047 296 R CB 0.262 30.579 30.300 0.028 0.000 1.016 296 R HN 0.342 nan 8.270 nan 0.000 0.477 297 Y N 2.406 122.831 120.300 0.210 0.000 2.128 297 Y HA -0.192 4.357 4.550 -0.000 0.000 0.284 297 Y C 1.014 177.044 175.900 0.217 0.000 1.154 297 Y CA 1.662 59.938 58.100 0.293 0.000 1.149 297 Y CB 0.041 38.770 38.460 0.449 0.000 0.976 297 Y HN 0.551 nan 8.280 nan 0.000 0.505 298 T N 1.277 115.827 114.554 -0.006 0.000 2.767 298 T HA 0.446 4.796 4.350 -0.000 0.000 0.288 298 T C -2.710 171.904 174.700 -0.143 0.000 0.963 298 T CA -2.265 59.671 62.100 -0.274 0.000 1.019 298 T CB 1.687 70.486 68.868 -0.115 0.000 0.923 298 T HN 0.087 nan 8.240 nan 0.000 0.468 299 P HA 0.250 nan 4.420 nan 0.000 0.281 299 P C -0.696 176.536 177.300 -0.114 0.000 1.249 299 P CA -0.615 62.426 63.100 -0.099 0.000 0.810 299 P CB 0.754 32.412 31.700 -0.071 0.000 1.008 300 Q N 0.536 120.277 119.800 -0.099 0.000 2.312 300 Q HA 0.690 5.030 4.340 -0.000 0.000 0.236 300 Q C 0.083 176.035 176.000 -0.080 0.000 0.965 300 Q CA -0.476 55.245 55.803 -0.137 0.000 0.894 300 Q CB 0.402 29.077 28.738 -0.105 0.000 1.225 300 Q HN 0.771 nan 8.270 nan 0.000 0.478 301 G N -0.735 108.007 108.800 -0.098 0.000 2.355 301 G HA2 0.467 4.427 3.960 -0.000 0.000 0.296 301 G HA3 0.467 4.427 3.960 -0.000 0.000 0.296 301 G C -1.860 172.993 174.900 -0.078 0.000 1.507 301 G CA -0.551 44.525 45.100 -0.039 0.000 0.823 301 G HN 0.665 nan 8.290 nan 0.000 0.569 302 V N 0.951 120.843 119.914 -0.037 0.000 2.577 302 V HA 0.581 4.701 4.120 -0.000 0.000 0.303 302 V C -0.364 175.702 176.094 -0.047 0.000 1.042 302 V CA -0.543 61.687 62.300 -0.118 0.000 0.872 302 V CB 1.636 33.334 31.823 -0.208 0.000 0.998 302 V HN 0.682 nan 8.190 nan 0.000 0.423 303 I N 3.850 124.416 120.570 -0.006 0.000 2.378 303 I HA 0.426 4.596 4.170 -0.000 0.000 0.291 303 I C -0.886 175.212 176.117 -0.031 0.000 0.992 303 I CA -0.209 61.138 61.300 0.078 0.000 1.154 303 I CB 1.604 39.727 38.000 0.204 0.000 1.315 303 I HN 0.575 nan 8.210 nan 0.000 0.448 304 W N 4.270 125.665 121.300 0.159 0.000 2.417 304 W HA 0.486 5.146 4.660 -0.000 0.000 0.317 304 W C 1.193 177.713 176.519 0.002 0.000 1.121 304 W CA -0.460 56.923 57.345 0.063 0.000 1.208 304 W CB 1.318 30.838 29.460 0.099 0.000 1.253 304 W HN 0.727 nan 8.180 nan 0.000 0.533 305 G N 3.343 112.234 108.800 0.152 0.000 2.424 305 G HA2 -0.439 3.521 3.960 -0.000 0.000 0.294 305 G HA3 -0.439 3.521 3.960 -0.000 0.000 0.294 305 G C 0.400 175.276 174.900 -0.040 0.000 0.939 305 G CA 0.912 46.030 45.100 0.029 0.000 1.143 305 G HN 0.931 nan 8.290 nan 0.000 0.507 306 N N -1.636 117.010 118.700 -0.089 0.000 2.778 306 N HA -0.202 4.538 4.740 -0.000 0.000 0.249 306 N C 0.094 175.533 175.510 -0.118 0.000 1.069 306 N CA 1.368 54.190 53.050 -0.379 0.000 0.831 306 N CB -0.518 37.534 38.487 -0.724 0.000 1.142 306 N HN 0.697 nan 8.380 nan 0.000 0.573 307 D N 0.759 121.192 120.400 0.055 0.000 2.396 307 D HA 0.226 4.866 4.640 -0.000 0.000 0.225 307 D C 0.702 177.091 176.300 0.148 0.000 1.121 307 D CA -0.307 53.756 54.000 0.105 0.000 0.853 307 D CB 0.510 41.376 40.800 0.111 0.000 1.043 307 D HN 0.209 nan 8.370 nan 0.000 0.500 308 L N 2.625 123.946 121.223 0.162 0.000 2.591 308 L HA 0.000 4.340 4.340 -0.000 0.000 0.228 308 L C 1.864 178.793 176.870 0.099 0.000 1.133 308 L CA 0.256 55.188 54.840 0.153 0.000 0.880 308 L CB -0.159 42.015 42.059 0.192 0.000 1.033 308 L HN 0.360 nan 8.230 nan 0.000 0.450 309 S N -1.667 114.087 115.700 0.090 0.000 2.558 309 S HA 0.038 4.508 4.470 -0.000 0.000 0.217 309 S C 0.768 175.409 174.600 0.069 0.000 0.975 309 S CA -0.060 58.178 58.200 0.063 0.000 0.912 309 S CB 0.225 63.458 63.200 0.055 0.000 0.776 309 S HN 0.204 nan 8.310 nan 0.000 0.526 310 K N 1.488 121.946 120.400 0.097 0.000 2.637 310 K HA 0.465 4.785 4.320 -0.000 0.000 0.248 310 K C -1.935 174.751 176.600 0.143 0.000 0.971 310 K CA -0.371 55.984 56.287 0.114 0.000 0.858 310 K CB 2.249 34.826 32.500 0.128 0.000 1.170 310 K HN 0.096 nan 8.250 nan 0.000 0.443 311 V N 3.492 123.477 119.914 0.118 0.000 2.357 311 V HA 0.240 4.360 4.120 -0.000 0.000 0.284 311 V C -0.172 176.002 176.094 0.133 0.000 1.018 311 V CA -0.976 61.395 62.300 0.117 0.000 0.841 311 V CB 1.463 33.329 31.823 0.071 0.000 0.991 311 V HN 0.652 nan 8.190 nan 0.000 0.437 312 D N 2.219 122.727 120.400 0.181 0.000 2.348 312 D HA 0.285 4.925 4.640 -0.000 0.000 0.249 312 D C -0.213 176.176 176.300 0.148 0.000 1.110 312 D CA -0.316 53.806 54.000 0.204 0.000 0.967 312 D CB 0.887 41.901 40.800 0.356 0.000 1.139 312 D HN 0.458 nan 8.370 nan 0.000 0.466 313 D N 0.278 120.764 120.400 0.143 0.000 2.345 313 D HA 0.055 4.695 4.640 -0.000 0.000 0.247 313 D C -0.049 176.344 176.300 0.155 0.000 1.108 313 D CA -0.227 53.845 54.000 0.120 0.000 0.894 313 D CB 0.468 41.322 40.800 0.090 0.000 1.203 313 D HN 0.140 nan 8.370 nan 0.000 0.430 314 F N 3.033 122.960 119.950 -0.037 0.000 2.541 314 F HA 0.081 4.608 4.527 -0.000 0.000 0.378 314 F C 0.215 176.029 175.800 0.022 0.000 1.068 314 F CA -0.319 57.636 58.000 -0.076 0.000 1.199 314 F CB 0.115 38.986 39.000 -0.214 0.000 1.091 314 F HN 0.056 nan 8.300 nan 0.000 0.555 315 N N 8.464 126.937 118.700 -0.378 0.000 2.569 315 N HA 0.373 5.113 4.740 -0.000 0.000 0.254 315 N C -2.301 172.955 175.510 -0.423 0.000 1.004 315 N CA -2.464 50.383 53.050 -0.337 0.000 0.904 315 N CB 1.546 39.995 38.487 -0.064 0.000 1.165 315 N HN 0.238 nan 8.380 nan 0.000 0.513 316 P HA 0.056 nan 4.420 nan 0.000 0.237 316 P C 0.176 177.639 177.300 0.272 0.000 1.178 316 P CA 0.569 63.619 63.100 -0.083 0.000 0.766 316 P CB 0.557 32.394 31.700 0.229 0.000 0.876 317 D N -0.318 120.161 120.400 0.131 0.000 2.310 317 D HA -0.037 4.603 4.640 -0.000 0.000 0.212 317 D C 1.545 177.881 176.300 0.059 0.000 0.965 317 D CA 0.787 54.847 54.000 0.100 0.000 0.879 317 D CB -0.373 40.425 40.800 -0.002 0.000 0.921 317 D HN 0.264 nan 8.370 nan 0.000 0.510 318 L N 0.212 121.405 121.223 -0.051 0.000 2.611 318 L HA 0.226 4.566 4.340 -0.000 0.000 0.229 318 L C 0.471 177.287 176.870 -0.091 0.000 1.137 318 L CA -0.113 54.602 54.840 -0.208 0.000 0.901 318 L CB 0.186 41.859 42.059 -0.643 0.000 1.098 318 L HN -0.135 nan 8.230 nan 0.000 0.456 319 I N 0.322 120.963 120.570 0.119 0.000 2.365 319 I HA 0.164 4.334 4.170 -0.000 0.000 0.291 319 I C 0.045 176.163 176.117 0.001 0.000 1.004 319 I CA 0.104 61.502 61.300 0.163 0.000 1.311 319 I CB 1.078 39.216 38.000 0.231 0.000 1.401 319 I HN 0.113 nan 8.210 nan 0.000 0.491 320 E N 5.473 125.662 120.200 -0.019 0.000 2.314 320 E HA 0.390 4.740 4.350 -0.000 0.000 0.272 320 E C -1.329 175.182 176.600 -0.148 0.000 0.884 320 E CA -0.829 55.504 56.400 -0.111 0.000 0.753 320 E CB 2.457 32.095 29.700 -0.103 0.000 1.213 320 E HN 0.502 nan 8.360 nan 0.000 0.432 321 E N 1.958 122.027 120.200 -0.218 0.000 2.151 321 E HA 0.283 4.633 4.350 -0.000 0.000 0.275 321 E C -0.745 175.731 176.600 -0.207 0.000 0.936 321 E CA -0.502 55.786 56.400 -0.187 0.000 0.777 321 E CB 1.378 30.953 29.700 -0.208 0.000 1.108 321 E HN 0.354 nan 8.360 nan 0.000 0.401 322 H N 0.973 119.959 119.070 -0.139 0.000 2.483 322 H HA 0.216 4.772 4.556 -0.000 0.000 0.338 322 H C 0.695 175.964 175.328 -0.098 0.000 1.152 322 H CA -0.376 55.607 56.048 -0.108 0.000 1.264 322 H CB 2.067 31.786 29.762 -0.070 0.000 1.510 322 H HN 0.392 nan 8.280 nan 0.000 0.530 323 V N -0.398 119.527 119.914 0.019 0.000 3.382 323 V HA 0.097 4.217 4.120 -0.000 0.000 0.296 323 V C 1.778 177.842 176.094 -0.049 0.000 1.529 323 V CA -0.128 62.183 62.300 0.018 0.000 1.048 323 V CB 0.265 32.123 31.823 0.058 0.000 0.878 323 V HN 0.553 nan 8.190 nan 0.000 0.442 324 K N 0.925 121.261 120.400 -0.106 0.000 2.127 324 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 324 K C 1.199 177.471 176.600 -0.547 0.000 1.047 324 K CA 2.559 58.649 56.287 -0.329 0.000 0.927 324 K CB -0.298 31.944 32.500 -0.430 0.000 0.716 324 K HN 0.635 nan 8.250 nan 0.000 0.450 325 Y N 0.211 120.425 120.300 -0.144 0.000 2.658 325 Y HA 0.321 4.871 4.550 -0.000 0.000 0.276 325 Y C -0.190 175.365 175.900 -0.574 0.000 1.167 325 Y CA -0.588 57.341 58.100 -0.286 0.000 1.230 325 Y CB 0.665 38.991 38.460 -0.223 0.000 1.144 325 Y HN -0.079 nan 8.280 nan 0.000 0.529 326 S N -1.685 113.801 115.700 -0.357 0.000 2.715 326 S HA 0.302 4.772 4.470 -0.000 0.000 0.307 326 S C -0.745 173.560 174.600 -0.492 0.000 1.119 326 S CA -0.839 57.066 58.200 -0.491 0.000 0.937 326 S CB 1.126 64.307 63.200 -0.031 0.000 1.150 326 S HN 0.249 nan 8.310 nan 0.000 0.521 327 W N 2.352 123.365 121.300 -0.479 0.000 1.496 327 W HA 0.395 5.055 4.660 -0.000 0.000 0.422 327 W C -1.095 174.996 176.519 -0.713 0.000 0.638 327 W CA -0.544 56.385 57.345 -0.695 0.000 2.105 327 W CB -1.331 27.347 29.460 -1.303 0.000 1.639 327 W HN 0.534 nan 8.180 nan 0.000 0.304 328 Y N -0.754 119.582 120.300 0.060 0.000 2.634 328 Y HA 0.246 4.796 4.550 -0.000 0.000 0.340 328 Y C 0.652 176.574 175.900 0.035 0.000 1.058 328 Y CA -1.548 56.594 58.100 0.070 0.000 1.081 328 Y CB 1.017 39.513 38.460 0.059 0.000 1.295 328 Y HN -0.091 nan 8.280 nan 0.000 0.487 329 E N 1.101 121.431 120.200 0.217 0.000 2.415 329 E HA 0.332 4.682 4.350 -0.000 0.000 0.263 329 E C 0.548 177.198 176.600 0.084 0.000 0.995 329 E CA 0.948 57.418 56.400 0.117 0.000 0.915 329 E CB 0.391 30.153 29.700 0.103 0.000 0.951 329 E HN 0.853 nan 8.360 nan 0.000 0.449 330 G N 2.732 111.556 108.800 0.039 0.000 2.569 330 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.259 330 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.259 330 G C 0.291 175.178 174.900 -0.020 0.000 1.263 330 G CA 0.003 45.107 45.100 0.007 0.000 0.928 330 G HN 0.818 nan 8.290 nan 0.000 0.572 331 A N -0.988 121.808 122.820 -0.040 0.000 2.674 331 A HA 0.516 4.836 4.320 -0.000 0.000 0.274 331 A C 0.131 177.657 177.584 -0.096 0.000 1.065 331 A CA 0.925 52.917 52.037 -0.075 0.000 0.978 331 A CB 0.473 19.416 19.000 -0.096 0.000 1.242 331 A HN 0.584 nan 8.150 nan 0.000 0.583 332 D N 1.169 121.500 120.400 -0.115 0.000 2.339 332 D HA 0.522 5.162 4.640 -0.000 0.000 0.245 332 D C 0.299 176.354 176.300 -0.409 0.000 1.115 332 D CA 0.586 54.436 54.000 -0.250 0.000 0.917 332 D CB 1.508 42.150 40.800 -0.264 0.000 1.192 332 D HN 0.363 nan 8.370 nan 0.000 0.428 333 A N 2.012 124.473 122.820 -0.597 0.000 2.325 333 A HA 0.565 4.885 4.320 -0.000 0.000 0.333 333 A C -0.712 176.424 177.584 -0.746 0.000 1.155 333 A CA -0.606 51.008 52.037 -0.704 0.000 0.814 333 A CB 1.006 19.334 19.000 -1.120 0.000 1.206 333 A HN 0.584 nan 8.150 nan 0.000 0.482 334 H N 1.047 119.970 119.070 -0.246 0.000 2.771 334 H HA 0.230 4.786 4.556 -0.000 0.000 0.361 334 H C -0.779 174.439 175.328 -0.184 0.000 1.108 334 H CA -0.478 55.469 56.048 -0.168 0.000 1.201 334 H CB 1.367 31.044 29.762 -0.143 0.000 1.681 334 H HN 0.881 nan 8.280 nan 0.000 0.534 335 H N 4.091 123.098 119.070 -0.105 0.000 2.897 335 H HA -0.014 4.542 4.556 -0.000 0.000 0.347 335 H C -1.751 173.372 175.328 -0.342 0.000 1.068 335 H CA -1.042 54.865 56.048 -0.235 0.000 1.426 335 H CB 1.318 30.976 29.762 -0.173 0.000 1.410 335 H HN 0.338 nan 8.280 nan 0.000 0.597 336 P HA -0.159 nan 4.420 nan 0.000 0.219 336 P C 0.885 177.860 177.300 -0.542 0.000 1.146 336 P CA 1.104 63.622 63.100 -0.970 0.000 0.808 336 P CB -0.086 30.416 31.700 -1.997 0.000 0.779 337 Y N 0.085 120.216 120.300 -0.281 0.000 2.403 337 Y HA -0.107 4.443 4.550 -0.000 0.000 0.291 337 Y C 1.515 177.399 175.900 -0.027 0.000 1.143 337 Y CA 1.048 59.154 58.100 0.009 0.000 1.257 337 Y CB -0.717 37.842 38.460 0.165 0.000 0.984 337 Y HN -0.009 nan 8.280 nan 0.000 0.550 338 K N -0.488 119.966 120.400 0.091 0.000 2.537 338 K HA 0.268 4.588 4.320 -0.000 0.000 0.206 338 K C 0.715 177.202 176.600 -0.189 0.000 1.041 338 K CA -0.166 56.105 56.287 -0.027 0.000 1.090 338 K CB 0.425 32.935 32.500 0.017 0.000 0.833 338 K HN 0.092 nan 8.250 nan 0.000 0.493 339 G N 0.766 109.470 108.800 -0.160 0.000 2.484 339 G HA2 0.211 4.171 3.960 -0.000 0.000 0.235 339 G HA3 0.211 4.171 3.960 -0.000 0.000 0.235 339 G C -0.305 174.467 174.900 -0.213 0.000 1.282 339 G CA -0.121 44.867 45.100 -0.187 0.000 0.857 339 G HN 0.025 nan 8.290 nan 0.000 0.571 340 V N 1.220 121.002 119.914 -0.220 0.000 2.656 340 V HA 0.534 4.654 4.120 -0.000 0.000 0.307 340 V C 0.002 176.046 176.094 -0.084 0.000 1.051 340 V CA -0.646 61.560 62.300 -0.156 0.000 0.893 340 V CB 2.309 34.014 31.823 -0.197 0.000 0.999 340 V HN 0.785 nan 8.190 nan 0.000 0.426 341 T N 5.107 119.658 114.554 -0.006 0.000 3.064 341 T HA 0.388 4.738 4.350 -0.000 0.000 0.367 341 T C -0.372 174.443 174.700 0.191 0.000 1.202 341 T CA -0.594 61.547 62.100 0.068 0.000 1.133 341 T CB 0.088 69.036 68.868 0.133 0.000 1.074 341 T HN 0.426 nan 8.240 nan 0.000 0.519 342 K N 4.260 124.814 120.400 0.256 0.000 2.579 342 K HA 0.314 4.633 4.320 -0.000 0.000 0.225 342 K C -2.846 173.942 176.600 0.314 0.000 0.992 342 K CA -2.030 54.399 56.287 0.236 0.000 1.018 342 K CB 1.933 34.524 32.500 0.152 0.000 1.249 342 K HN 0.297 nan 8.250 nan 0.000 0.489 343 P HA 0.109 nan 4.420 nan 0.000 0.271 343 P C -0.694 176.640 177.300 0.057 0.000 1.216 343 P CA -0.189 62.899 63.100 -0.020 0.000 0.776 343 P CB 0.837 32.304 31.700 -0.387 0.000 0.881 344 K N 3.226 123.664 120.400 0.064 0.000 2.729 344 K HA 0.150 4.470 4.320 -0.000 0.000 0.269 344 K C -1.195 175.468 176.600 0.104 0.000 1.065 344 K CA -0.557 55.792 56.287 0.103 0.000 1.000 344 K CB 1.046 33.594 32.500 0.081 0.000 1.283 344 K HN 0.532 nan 8.250 nan 0.000 0.491 345 W N 5.120 126.356 121.300 -0.107 0.000 2.238 345 W HA 0.152 4.812 4.660 -0.000 0.000 0.321 345 W C -0.245 176.126 176.519 -0.247 0.000 1.293 345 W CA 0.366 57.488 57.345 -0.371 0.000 1.204 345 W CB 1.376 30.682 29.460 -0.257 0.000 1.167 345 W HN 0.737 nan 8.180 nan 0.000 0.553 346 T N 1.049 114.987 114.554 -1.027 0.000 3.262 346 T HA 0.152 4.502 4.350 -0.000 0.000 0.300 346 T C -0.312 173.816 174.700 -0.954 0.000 0.959 346 T CA -0.226 61.449 62.100 -0.709 0.000 0.936 346 T CB 0.190 68.943 68.868 -0.191 0.000 1.169 346 T HN 0.523 nan 8.240 nan 0.000 0.532 347 E N 0.422 119.367 120.200 -2.092 0.000 8.961 347 E HA -0.166 4.184 4.350 -0.000 0.000 0.470 347 E C -0.874 175.474 176.600 -0.421 0.000 1.290 347 E CA 0.170 55.770 56.400 -1.334 0.000 2.247 347 E CB -1.158 28.239 29.700 -0.505 0.000 1.017 347 E HN 0.578 nan 8.360 nan 0.000 0.265 348 F N 2.430 122.222 119.950 -0.262 0.000 2.546 348 F HA -0.094 4.433 4.527 -0.000 0.000 0.388 348 F C 1.798 177.607 175.800 0.015 0.000 1.051 348 F CA 0.466 58.466 58.000 0.000 0.000 1.130 348 F CB -0.195 38.837 39.000 0.054 0.000 1.044 348 F HN 0.436 nan 8.300 nan 0.000 0.553 349 H N 0.307 119.522 119.070 0.241 0.000 3.415 349 H HA -0.140 4.416 4.556 -0.000 0.000 0.213 349 H C 0.989 176.353 175.328 0.060 0.000 1.091 349 H CA 0.496 56.598 56.048 0.090 0.000 1.182 349 H CB -1.577 28.167 29.762 -0.030 0.000 1.160 349 H HN 0.775 nan 8.280 nan 0.000 0.319 350 G N 0.874 109.745 108.800 0.119 0.000 2.313 350 G HA2 0.247 4.207 3.960 -0.000 0.000 0.250 350 G HA3 0.247 4.207 3.960 -0.000 0.000 0.250 350 G C 0.525 175.453 174.900 0.046 0.000 1.281 350 G CA 0.592 45.708 45.100 0.025 0.000 0.917 350 G HN 0.448 nan 8.290 nan 0.000 0.501 351 E N 1.621 121.843 120.200 0.037 0.000 2.660 351 E HA -0.249 4.101 4.350 -0.000 0.000 0.260 351 E C 0.374 177.028 176.600 0.091 0.000 1.122 351 E CA 0.561 56.983 56.400 0.037 0.000 0.755 351 E CB -0.612 29.086 29.700 -0.003 0.000 1.345 351 E HN 0.752 nan 8.360 nan 0.000 0.421 352 D N -1.926 118.570 120.400 0.161 0.000 2.946 352 D HA -0.182 4.458 4.640 -0.000 0.000 0.202 352 D C 0.024 176.543 176.300 0.365 0.000 1.068 352 D CA 1.496 55.677 54.000 0.301 0.000 1.011 352 D CB -0.716 40.317 40.800 0.388 0.000 1.105 352 D HN 0.410 nan 8.370 nan 0.000 0.425 353 R N 0.086 120.656 120.500 0.116 0.000 2.390 353 R HA 0.345 4.685 4.340 -0.000 0.000 0.291 353 R C 0.871 176.917 176.300 -0.423 0.000 1.070 353 R CA -0.132 55.839 56.100 -0.214 0.000 1.014 353 R CB 0.382 30.431 30.300 -0.417 0.000 1.007 353 R HN 0.323 nan 8.270 nan 0.000 0.466 354 Y N -1.642 118.132 120.300 -0.877 0.000 2.830 354 Y HA 0.463 5.013 4.550 -0.000 0.000 0.255 354 Y C -0.493 174.678 175.900 -1.215 0.000 1.130 354 Y CA -0.737 56.783 58.100 -0.966 0.000 1.217 354 Y CB 0.715 38.788 38.460 -0.644 0.000 1.296 354 Y HN 0.412 nan 8.280 nan 0.000 0.571 355 S N -0.701 113.814 115.700 -1.975 0.000 2.543 355 S HA 0.229 4.699 4.470 -0.000 0.000 0.274 355 S C -1.189 173.010 174.600 -0.667 0.000 1.149 355 S CA -0.692 56.880 58.200 -1.046 0.000 0.866 355 S CB 0.121 63.006 63.200 -0.526 0.000 1.111 355 S HN 0.419 nan 8.310 nan 0.000 0.457 356 W N 2.715 124.125 121.300 0.183 0.000 3.047 356 W HA 0.315 4.975 4.660 -0.000 0.000 0.250 356 W C 1.006 177.707 176.519 0.303 0.000 1.314 356 W CA -0.398 57.137 57.345 0.316 0.000 1.540 356 W CB 0.219 29.950 29.460 0.452 0.000 1.127 356 W HN 0.290 nan 8.180 nan 0.000 0.679 357 M N 1.409 121.211 119.600 0.336 0.000 2.235 357 M HA 0.127 4.607 4.480 -0.000 0.000 0.351 357 M C 0.634 177.040 176.300 0.176 0.000 1.178 357 M CA 0.291 55.729 55.300 0.230 0.000 1.143 357 M CB 0.872 33.547 32.600 0.124 0.000 1.530 357 M HN -0.196 nan 8.290 nan 0.000 0.461 358 K N 1.304 121.769 120.400 0.110 0.000 2.118 358 K HA 0.508 4.828 4.320 -0.000 0.000 0.240 358 K C -0.295 176.279 176.600 -0.043 0.000 1.035 358 K CA -0.450 55.832 56.287 -0.009 0.000 0.899 358 K CB 0.575 32.999 32.500 -0.128 0.000 1.085 358 K HN 0.741 nan 8.250 nan 0.000 0.498 359 A N 2.509 125.300 122.820 -0.050 0.000 2.536 359 A HA 0.366 4.686 4.320 -0.000 0.000 0.329 359 A C -2.526 174.995 177.584 -0.105 0.000 1.321 359 A CA -1.739 50.262 52.037 -0.059 0.000 0.804 359 A CB 0.340 19.330 19.000 -0.017 0.000 1.126 359 A HN 0.296 nan 8.150 nan 0.000 0.480 360 P HA 0.304 nan 4.420 nan 0.000 0.271 360 P C -0.504 176.556 177.300 -0.400 0.000 1.220 360 P CA 0.073 62.770 63.100 -0.671 0.000 0.768 360 P CB 0.655 31.338 31.700 -1.695 0.000 0.848 361 R N 2.614 123.059 120.500 -0.091 0.000 2.686 361 R HA 0.402 4.742 4.340 -0.000 0.000 0.286 361 R C -1.289 175.291 176.300 0.467 0.000 0.969 361 R CA -0.856 55.411 56.100 0.278 0.000 0.898 361 R CB 1.659 32.085 30.300 0.210 0.000 1.183 361 R HN 0.480 nan 8.270 nan 0.000 0.456 362 Y N 2.080 122.666 120.300 0.476 0.000 2.356 362 Y HA 0.150 4.700 4.550 -0.000 0.000 0.334 362 Y C 0.665 176.766 175.900 0.335 0.000 0.958 362 Y CA -0.347 57.930 58.100 0.296 0.000 1.196 362 Y CB 0.717 39.057 38.460 -0.200 0.000 1.137 362 Y HN 0.764 nan 8.280 nan 0.000 0.485 363 K N 4.632 125.013 120.400 -0.031 0.000 3.035 363 K HA -0.258 4.062 4.320 -0.000 0.000 0.262 363 K C 0.877 177.606 176.600 0.215 0.000 1.024 363 K CA 1.088 57.420 56.287 0.076 0.000 0.748 363 K CB -1.426 31.172 32.500 0.163 0.000 1.247 363 K HN 1.389 nan 8.250 nan 0.000 0.482 364 G N -1.170 107.765 108.800 0.226 0.000 2.199 364 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.254 364 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.254 364 G C -0.242 174.796 174.900 0.230 0.000 0.982 364 G CA 0.636 45.858 45.100 0.204 0.000 0.632 364 G HN 0.422 nan 8.290 nan 0.000 0.529 365 E N 0.284 120.713 120.200 0.383 0.000 2.222 365 E HA 0.675 5.025 4.350 -0.000 0.000 0.272 365 E C 0.386 177.260 176.600 0.456 0.000 0.982 365 E CA -0.025 56.617 56.400 0.404 0.000 0.842 365 E CB 1.679 31.723 29.700 0.574 0.000 1.144 365 E HN 0.734 nan 8.360 nan 0.000 0.397 366 A N 2.246 125.230 122.820 0.274 0.000 2.363 366 A HA 0.560 4.880 4.320 -0.000 0.000 0.270 366 A C -0.841 176.868 177.584 0.210 0.000 1.121 366 A CA -0.139 52.056 52.037 0.262 0.000 0.800 366 A CB -0.001 19.058 19.000 0.099 0.000 1.052 366 A HN 0.486 nan 8.150 nan 0.000 0.493 367 F N -0.194 119.844 119.950 0.147 0.000 2.593 367 F HA 0.478 5.005 4.527 -0.000 0.000 0.320 367 F C 0.386 176.162 175.800 -0.040 0.000 1.060 367 F CA -0.425 57.546 58.000 -0.047 0.000 0.940 367 F CB 2.094 40.989 39.000 -0.176 0.000 1.268 367 F HN 0.712 nan 8.300 nan 0.000 0.475 368 E N 1.901 122.071 120.200 -0.051 0.000 2.179 368 E HA 0.626 4.976 4.350 -0.000 0.000 0.275 368 E C -1.522 175.131 176.600 0.089 0.000 0.945 368 E CA -0.743 55.693 56.400 0.060 0.000 0.792 368 E CB 1.757 31.465 29.700 0.012 0.000 1.125 368 E HN 0.487 nan 8.360 nan 0.000 0.397 369 V N 0.835 120.812 119.914 0.106 0.000 3.113 369 V HA 1.019 5.139 4.120 -0.000 0.000 0.316 369 V C 0.341 176.488 176.094 0.089 0.000 1.125 369 V CA 0.252 62.560 62.300 0.014 0.000 1.026 369 V CB 0.949 32.677 31.823 -0.158 0.000 1.080 369 V HN 1.042 nan 8.190 nan 0.000 0.444 370 G N 1.334 110.150 108.800 0.027 0.000 2.362 370 G HA2 0.046 4.006 3.960 -0.000 0.000 0.517 370 G HA3 0.046 4.006 3.960 -0.000 0.000 0.517 370 G C -2.583 172.314 174.900 -0.005 0.000 1.256 370 G CA -0.007 45.108 45.100 0.026 0.000 1.027 370 G HN 0.668 nan 8.290 nan 0.000 0.491 371 P HA -0.037 nan 4.420 nan 0.000 0.215 371 P C 2.304 179.558 177.300 -0.078 0.000 1.157 371 P CA 1.679 64.736 63.100 -0.071 0.000 0.874 371 P CB 0.049 31.656 31.700 -0.155 0.000 0.790 372 L N -0.217 120.961 121.223 -0.076 0.000 2.012 372 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 372 L C 2.257 179.049 176.870 -0.130 0.000 1.073 372 L CA 2.316 57.087 54.840 -0.115 0.000 0.748 372 L CB -1.613 40.402 42.059 -0.073 0.000 0.891 372 L HN -0.102 nan 8.230 nan 0.000 0.431 373 A N -1.443 121.387 122.820 0.016 0.000 1.902 373 A HA -0.189 4.130 4.320 -0.000 0.000 0.217 373 A C 2.362 179.920 177.584 -0.042 0.000 1.181 373 A CA 2.079 54.160 52.037 0.074 0.000 0.623 373 A CB -0.937 18.200 19.000 0.228 0.000 0.818 373 A HN 0.572 nan 8.150 nan 0.000 0.443 374 S N -0.557 115.112 115.700 -0.053 0.000 2.371 374 S HA -0.085 4.385 4.470 -0.000 0.000 0.224 374 S C 1.824 176.376 174.600 -0.080 0.000 1.029 374 S CA 1.289 59.449 58.200 -0.068 0.000 0.978 374 S CB -0.351 62.827 63.200 -0.036 0.000 0.833 374 S HN 0.329 nan 8.310 nan 0.000 0.466 375 V N 2.077 121.937 119.914 -0.090 0.000 2.515 375 V HA -0.072 4.048 4.120 -0.000 0.000 0.250 375 V C 2.101 178.138 176.094 -0.095 0.000 1.058 375 V CA 1.229 63.472 62.300 -0.095 0.000 1.064 375 V CB -0.666 31.077 31.823 -0.134 0.000 0.675 375 V HN 0.399 nan 8.190 nan 0.000 0.461 376 L N -0.713 120.418 121.223 -0.154 0.000 2.027 376 L HA -0.122 4.218 4.340 -0.000 0.000 0.206 376 L C 2.491 179.350 176.870 -0.018 0.000 1.074 376 L CA 1.118 55.872 54.840 -0.143 0.000 0.745 376 L CB -0.553 41.304 42.059 -0.336 0.000 0.898 376 L HN 0.179 nan 8.230 nan 0.000 0.433 377 V N 0.173 120.061 119.914 -0.043 0.000 2.261 377 V HA -0.314 3.806 4.120 -0.000 0.000 0.246 377 V C 2.748 178.836 176.094 -0.010 0.000 1.047 377 V CA 1.935 64.223 62.300 -0.020 0.000 1.015 377 V CB -0.905 30.888 31.823 -0.050 0.000 0.642 377 V HN 0.493 nan 8.190 nan 0.000 0.446 378 A N -1.285 121.514 122.820 -0.035 0.000 1.933 378 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 378 A C 2.154 179.788 177.584 0.084 0.000 1.175 378 A CA 2.068 54.086 52.037 -0.032 0.000 0.628 378 A CB -0.738 18.164 19.000 -0.164 0.000 0.814 378 A HN 0.635 nan 8.150 nan 0.000 0.444 379 Y N 0.505 120.778 120.300 -0.045 0.000 2.163 379 Y HA -0.041 4.509 4.550 -0.000 0.000 0.288 379 Y C 2.674 178.562 175.900 -0.021 0.000 1.136 379 Y CA 1.047 59.126 58.100 -0.034 0.000 1.147 379 Y CB -0.596 37.819 38.460 -0.076 0.000 0.987 379 Y HN 0.300 nan 8.280 nan 0.000 0.509 380 A N -0.006 122.833 122.820 0.032 0.000 1.972 380 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 380 A C 2.035 179.587 177.584 -0.053 0.000 1.169 380 A CA 1.823 53.841 52.037 -0.032 0.000 0.635 380 A CB -0.488 18.536 19.000 0.039 0.000 0.810 380 A HN 0.491 nan 8.150 nan 0.000 0.446 381 K N -1.338 119.048 120.400 -0.023 0.000 2.417 381 K HA 0.155 4.475 4.320 -0.000 0.000 0.196 381 K C -0.226 176.364 176.600 -0.017 0.000 1.023 381 K CA 0.127 56.407 56.287 -0.012 0.000 1.122 381 K CB 0.228 32.732 32.500 0.007 0.000 0.850 381 K HN 0.329 nan 8.250 nan 0.000 0.521 382 K N 0.336 120.702 120.400 -0.056 0.000 3.192 382 K HA -0.207 4.113 4.320 -0.000 0.000 0.278 382 K C -0.615 175.984 176.600 -0.002 0.000 1.164 382 K CA 0.327 56.573 56.287 -0.069 0.000 0.816 382 K CB -2.133 30.321 32.500 -0.078 0.000 1.256 382 K HN 0.386 nan 8.250 nan 0.000 0.497 383 H N 0.335 119.369 119.070 -0.060 0.000 3.276 383 H HA 0.042 4.598 4.556 -0.000 0.000 0.247 383 H C 1.310 176.616 175.328 -0.036 0.000 0.991 383 H CA 0.775 56.788 56.048 -0.059 0.000 1.431 383 H CB 0.674 30.385 29.762 -0.085 0.000 1.548 383 H HN 0.275 nan 8.280 nan 0.000 0.513 384 E N 5.268 125.316 120.200 -0.254 0.000 2.097 384 E HA -0.130 4.220 4.350 -0.000 0.000 0.196 384 E C -0.834 175.686 176.600 -0.133 0.000 1.000 384 E CA 1.619 57.924 56.400 -0.158 0.000 0.804 384 E CB -0.523 29.098 29.700 -0.133 0.000 0.740 384 E HN 0.658 nan 8.360 nan 0.000 0.454 385 P HA -0.119 nan 4.420 nan 0.000 0.216 385 P C 1.130 178.469 177.300 0.065 0.000 1.150 385 P CA 1.815 64.877 63.100 -0.063 0.000 0.837 385 P CB -0.053 31.626 31.700 -0.036 0.000 0.786 386 T N -1.034 113.637 114.554 0.194 0.000 2.857 386 T HA -0.063 4.287 4.350 -0.000 0.000 0.266 386 T C 1.834 176.638 174.700 0.174 0.000 1.048 386 T CA 0.911 63.132 62.100 0.202 0.000 1.139 386 T CB -0.921 68.106 68.868 0.265 0.000 0.874 386 T HN -0.135 nan 8.240 nan 0.000 0.455 387 V N 1.613 121.637 119.914 0.183 0.000 2.255 387 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 387 V C 2.422 178.594 176.094 0.130 0.000 1.051 387 V CA 1.792 64.221 62.300 0.214 0.000 1.018 387 V CB -0.494 31.365 31.823 0.060 0.000 0.641 387 V HN 0.450 nan 8.190 nan 0.000 0.445 388 K N 0.131 120.562 120.400 0.051 0.000 2.057 388 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 388 K C 2.264 178.861 176.600 -0.005 0.000 1.049 388 K CA 1.533 57.829 56.287 0.014 0.000 0.931 388 K CB -0.476 32.019 32.500 -0.007 0.000 0.714 388 K HN 0.496 nan 8.250 nan 0.000 0.440 389 A N 0.720 123.536 122.820 -0.006 0.000 1.873 389 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 389 A C 2.368 179.901 177.584 -0.086 0.000 1.186 389 A CA 1.317 53.326 52.037 -0.048 0.000 0.616 389 A CB -0.673 18.303 19.000 -0.041 0.000 0.823 389 A HN 0.061 nan 8.150 nan 0.000 0.442 390 V N 0.769 120.628 119.914 -0.092 0.000 2.287 390 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 390 V C 2.230 178.232 176.094 -0.152 0.000 1.053 390 V CA 2.414 64.589 62.300 -0.207 0.000 1.027 390 V CB -0.872 30.688 31.823 -0.438 0.000 0.646 390 V HN 0.493 nan 8.190 nan 0.000 0.447 391 D N -0.263 120.109 120.400 -0.048 0.000 2.123 391 D HA -0.178 4.462 4.640 -0.000 0.000 0.196 391 D C 1.952 178.217 176.300 -0.058 0.000 0.992 391 D CA 1.333 55.319 54.000 -0.023 0.000 0.833 391 D CB -0.322 40.492 40.800 0.023 0.000 0.954 391 D HN 0.380 nan 8.370 nan 0.000 0.455 392 L N 0.338 121.521 121.223 -0.066 0.000 2.017 392 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 392 L C 2.246 179.055 176.870 -0.101 0.000 1.073 392 L CA 1.248 56.041 54.840 -0.078 0.000 0.745 392 L CB -0.331 41.680 42.059 -0.081 0.000 0.894 392 L HN -0.122 nan 8.230 nan 0.000 0.432 393 V N -0.156 119.682 119.914 -0.127 0.000 2.332 393 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 393 V C 2.534 178.550 176.094 -0.130 0.000 1.055 393 V CA 2.141 64.355 62.300 -0.144 0.000 1.038 393 V CB -0.591 31.126 31.823 -0.177 0.000 0.651 393 V HN 0.443 nan 8.190 nan 0.000 0.450 394 L N 0.117 121.263 121.223 -0.129 0.000 2.056 394 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 394 L C 2.702 179.521 176.870 -0.084 0.000 1.078 394 L CA 1.819 56.591 54.840 -0.113 0.000 0.749 394 L CB -0.742 41.249 42.059 -0.113 0.000 0.901 394 L HN 0.361 nan 8.230 nan 0.000 0.433 395 K N 0.182 120.538 120.400 -0.073 0.000 2.097 395 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 395 K C 1.827 178.387 176.600 -0.068 0.000 1.050 395 K CA 1.777 58.028 56.287 -0.060 0.000 0.938 395 K CB -0.271 32.199 32.500 -0.049 0.000 0.718 395 K HN 0.163 nan 8.250 nan 0.000 0.442 396 T N 2.256 116.762 114.554 -0.080 0.000 2.708 396 T HA -0.044 4.306 4.350 -0.000 0.000 0.266 396 T C 1.828 176.472 174.700 -0.094 0.000 1.037 396 T CA 1.408 63.456 62.100 -0.087 0.000 1.146 396 T CB -0.061 68.749 68.868 -0.097 0.000 0.865 396 T HN 0.199 nan 8.240 nan 0.000 0.435 397 L N 0.287 121.453 121.223 -0.096 0.000 2.554 397 L HA 0.242 4.582 4.340 -0.000 0.000 0.226 397 L C 1.767 178.590 176.870 -0.079 0.000 1.137 397 L CA 0.300 55.083 54.840 -0.095 0.000 0.863 397 L CB -0.547 41.456 42.059 -0.093 0.000 0.985 397 L HN 0.472 nan 8.230 nan 0.000 0.451 398 G N 1.295 110.054 108.800 -0.070 0.000 2.246 398 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.273 398 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.273 398 G C 0.063 174.935 174.900 -0.047 0.000 1.055 398 G CA 0.349 45.416 45.100 -0.055 0.000 0.851 398 G HN 0.292 nan 8.290 nan 0.000 0.500 399 V N -2.780 117.102 119.914 -0.053 0.000 3.074 399 V HA 1.033 5.153 4.120 -0.000 0.000 0.314 399 V C 0.860 176.924 176.094 -0.049 0.000 1.117 399 V CA -0.317 61.955 62.300 -0.047 0.000 1.014 399 V CB 1.758 33.549 31.823 -0.053 0.000 1.057 399 V HN 1.195 nan 8.190 nan 0.000 0.438 400 G N 0.480 109.259 108.800 -0.036 0.000 2.547 400 G HA2 0.573 4.533 3.960 -0.000 0.000 0.291 400 G HA3 0.573 4.533 3.960 -0.000 0.000 0.291 400 G C -1.414 173.446 174.900 -0.066 0.000 1.211 400 G CA -1.072 44.010 45.100 -0.032 0.000 0.950 400 G HN 0.679 nan 8.290 nan 0.000 0.504 401 P HA -0.072 nan 4.420 nan 0.000 0.225 401 P C 0.863 178.042 177.300 -0.200 0.000 1.148 401 P CA 0.964 63.972 63.100 -0.154 0.000 0.779 401 P CB 0.275 31.946 31.700 -0.047 0.000 0.780 402 E N 0.798 120.976 120.200 -0.037 0.000 2.265 402 E HA -0.091 4.259 4.350 -0.000 0.000 0.196 402 E C 2.166 178.771 176.600 0.009 0.000 0.996 402 E CA 1.284 57.734 56.400 0.083 0.000 0.832 402 E CB -1.237 28.549 29.700 0.143 0.000 0.756 402 E HN 0.254 nan 8.360 nan 0.000 0.491 403 A N 0.727 123.503 122.820 -0.073 0.000 2.121 403 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 403 A C 2.002 179.505 177.584 -0.135 0.000 1.154 403 A CA 0.698 52.697 52.037 -0.063 0.000 0.679 403 A CB -0.515 18.448 19.000 -0.063 0.000 0.795 403 A HN 0.230 nan 8.150 nan 0.000 0.458 404 L N -1.647 119.377 121.223 -0.332 0.000 2.201 404 L HA -0.054 4.286 4.340 -0.000 0.000 0.212 404 L C 0.295 176.953 176.870 -0.354 0.000 1.105 404 L CA 0.345 54.926 54.840 -0.432 0.000 0.775 404 L CB -0.417 41.244 42.059 -0.664 0.000 0.913 404 L HN 0.350 nan 8.230 nan 0.000 0.440 405 F N 1.134 121.071 119.950 -0.021 0.000 2.678 405 F HA 0.176 4.703 4.527 -0.000 0.000 0.358 405 F C 0.800 176.651 175.800 0.085 0.000 1.256 405 F CA -0.317 57.719 58.000 0.060 0.000 1.278 405 F CB -0.823 38.235 39.000 0.098 0.000 1.681 405 F HN 0.007 nan 8.300 nan 0.000 0.661 406 S N -1.891 113.923 115.700 0.190 0.000 2.636 406 S HA 0.274 4.744 4.470 -0.000 0.000 0.266 406 S C 0.451 175.146 174.600 0.158 0.000 1.147 406 S CA -0.623 57.680 58.200 0.173 0.000 0.815 406 S CB 1.129 64.415 63.200 0.144 0.000 1.119 406 S HN 0.002 nan 8.310 nan 0.000 0.470 407 T N 1.039 115.736 114.554 0.239 0.000 2.777 407 T HA -0.025 4.325 4.350 -0.000 0.000 0.266 407 T C 1.758 176.607 174.700 0.248 0.000 1.040 407 T CA 1.707 63.979 62.100 0.286 0.000 1.141 407 T CB -0.593 68.591 68.868 0.527 0.000 0.868 407 T HN 0.487 nan 8.240 nan 0.000 0.444 408 L N 1.254 122.632 121.223 0.259 0.000 2.042 408 L HA 0.035 4.375 4.340 -0.000 0.000 0.210 408 L C 2.521 179.401 176.870 0.017 0.000 1.076 408 L CA 1.900 56.809 54.840 0.116 0.000 0.749 408 L CB -1.046 41.090 42.059 0.128 0.000 0.893 408 L HN 0.317 nan 8.230 nan 0.000 0.432 409 G N -1.500 107.303 108.800 0.005 0.000 2.408 409 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 409 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 409 G C 1.817 176.664 174.900 -0.088 0.000 1.150 409 G CA 0.607 45.657 45.100 -0.083 0.000 0.776 409 G HN 0.339 nan 8.290 nan 0.000 0.542 410 R N -0.283 120.193 120.500 -0.039 0.000 2.096 410 R HA -0.058 4.282 4.340 -0.000 0.000 0.235 410 R C 2.649 178.931 176.300 -0.031 0.000 1.127 410 R CA 1.775 57.836 56.100 -0.066 0.000 0.968 410 R CB -0.248 29.980 30.300 -0.120 0.000 0.861 410 R HN 0.338 nan 8.270 nan 0.000 0.440 411 T N 0.121 114.700 114.554 0.042 0.000 2.770 411 T HA -0.035 4.315 4.350 -0.000 0.000 0.263 411 T C 1.800 176.493 174.700 -0.012 0.000 1.039 411 T CA 1.142 63.306 62.100 0.107 0.000 1.142 411 T CB -0.232 68.718 68.868 0.137 0.000 0.868 411 T HN 0.382 nan 8.240 nan 0.000 0.435 412 A N 1.587 124.354 122.820 -0.087 0.000 1.940 412 A HA 0.093 4.412 4.320 -0.000 0.000 0.219 412 A C 2.611 180.089 177.584 -0.177 0.000 1.176 412 A CA 1.900 53.843 52.037 -0.157 0.000 0.631 412 A CB -1.073 17.826 19.000 -0.169 0.000 0.814 412 A HN 0.508 nan 8.150 nan 0.000 0.446 413 A N -0.450 122.274 122.820 -0.160 0.000 1.930 413 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 413 A C 2.192 179.670 177.584 -0.177 0.000 1.175 413 A CA 1.660 53.594 52.037 -0.171 0.000 0.627 413 A CB -0.476 18.423 19.000 -0.169 0.000 0.815 413 A HN 0.571 nan 8.150 nan 0.000 0.443 414 R N -0.442 119.946 120.500 -0.188 0.000 2.091 414 R HA -0.135 4.205 4.340 -0.000 0.000 0.238 414 R C 2.197 178.330 176.300 -0.278 0.000 1.136 414 R CA 1.748 57.658 56.100 -0.317 0.000 0.959 414 R CB -0.681 29.482 30.300 -0.227 0.000 0.856 414 R HN 0.451 nan 8.270 nan 0.000 0.437 415 G N 0.654 109.316 108.800 -0.230 0.000 2.402 415 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 415 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 415 G C 1.457 176.185 174.900 -0.287 0.000 1.162 415 G CA 0.828 45.678 45.100 -0.418 0.000 0.777 415 G HN 0.282 nan 8.290 nan 0.000 0.539 416 I N 0.344 120.791 120.570 -0.204 0.000 2.179 416 I HA -0.213 3.957 4.170 -0.000 0.000 0.242 416 I C 2.854 178.966 176.117 -0.008 0.000 1.088 416 I CA 1.595 62.825 61.300 -0.117 0.000 1.357 416 I CB -0.283 37.646 38.000 -0.118 0.000 1.051 416 I HN 0.282 nan 8.210 nan 0.000 0.409 417 Q N 0.329 120.133 119.800 0.007 0.000 2.096 417 Q HA -0.288 4.052 4.340 -0.000 0.000 0.204 417 Q C 2.522 178.728 176.000 0.344 0.000 0.982 417 Q CA 2.293 58.193 55.803 0.161 0.000 0.850 417 Q CB -0.322 28.481 28.738 0.107 0.000 0.901 417 Q HN 0.617 nan 8.270 nan 0.000 0.422 418 C N -0.132 119.358 119.300 0.316 0.000 2.413 418 C HA -0.144 4.316 4.460 -0.000 0.000 0.276 418 C C 2.561 177.723 174.990 0.286 0.000 1.236 418 C CA 0.994 60.287 59.018 0.459 0.000 1.735 418 C CB -1.192 26.824 27.740 0.459 0.000 2.031 418 C HN 0.732 nan 8.230 nan 0.000 0.474 419 L N 1.483 122.783 121.223 0.129 0.000 2.017 419 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 419 L C 2.962 179.904 176.870 0.119 0.000 1.073 419 L CA 3.041 57.924 54.840 0.071 0.000 0.745 419 L CB -1.197 40.844 42.059 -0.029 0.000 0.894 419 L HN 0.611 nan 8.230 nan 0.000 0.432 420 T N -3.200 111.452 114.554 0.164 0.000 2.833 420 T HA -0.091 4.259 4.350 -0.000 0.000 0.269 420 T C 1.850 176.714 174.700 0.273 0.000 1.054 420 T CA 0.996 63.235 62.100 0.231 0.000 1.135 420 T CB -0.754 68.275 68.868 0.269 0.000 0.869 420 T HN 0.345 nan 8.240 nan 0.000 0.466 421 A N 2.036 125.024 122.820 0.280 0.000 1.855 421 A HA 0.418 4.738 4.320 -0.000 0.000 0.215 421 A C 2.880 180.459 177.584 -0.008 0.000 1.191 421 A CA 1.705 53.824 52.037 0.136 0.000 0.613 421 A CB -1.482 17.683 19.000 0.275 0.000 0.829 421 A HN 0.738 nan 8.150 nan 0.000 0.442 422 A N -0.444 122.454 122.820 0.129 0.000 1.948 422 A HA -0.257 4.063 4.320 -0.000 0.000 0.220 422 A C 2.093 179.735 177.584 0.097 0.000 1.177 422 A CA 1.794 53.930 52.037 0.165 0.000 0.636 422 A CB -0.630 18.474 19.000 0.174 0.000 0.815 422 A HN 0.692 nan 8.150 nan 0.000 0.449 423 Q N -1.463 118.343 119.800 0.010 0.000 2.167 423 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 423 Q C 1.890 177.762 176.000 -0.214 0.000 0.970 423 Q CA 1.418 57.197 55.803 -0.040 0.000 0.855 423 Q CB -0.059 28.674 28.738 -0.008 0.000 0.911 423 Q HN 0.723 nan 8.270 nan 0.000 0.438 424 E N 0.226 120.147 120.200 -0.465 0.000 2.385 424 E HA -0.040 4.310 4.350 -0.000 0.000 0.194 424 E C 1.731 177.481 176.600 -1.416 0.000 1.013 424 E CA 0.128 55.929 56.400 -0.999 0.000 0.866 424 E CB 0.210 28.980 29.700 -1.549 0.000 0.832 424 E HN 0.033 nan 8.360 nan 0.000 0.500 425 V N 0.802 120.088 119.914 -1.046 0.000 2.324 425 V HA -0.297 3.823 4.120 -0.000 0.000 0.250 425 V C 2.257 177.919 176.094 -0.720 0.000 1.060 425 V CA 2.271 64.027 62.300 -0.907 0.000 1.042 425 V CB -0.436 31.079 31.823 -0.513 0.000 0.650 425 V HN 0.369 nan 8.190 nan 0.000 0.450 426 E N -0.291 119.580 120.200 -0.547 0.000 2.118 426 E HA -0.200 4.149 4.350 -0.000 0.000 0.195 426 E C 2.091 178.517 176.600 -0.291 0.000 0.992 426 E CA 1.541 57.758 56.400 -0.305 0.000 0.804 426 E CB -0.099 29.578 29.700 -0.040 0.000 0.741 426 E HN 0.434 nan 8.360 nan 0.000 0.458 427 V N 0.190 119.833 119.914 -0.451 0.000 2.255 427 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 427 V C 1.996 177.954 176.094 -0.226 0.000 1.051 427 V CA 1.927 64.004 62.300 -0.372 0.000 1.018 427 V CB -0.700 30.828 31.823 -0.491 0.000 0.641 427 V HN 0.491 nan 8.190 nan 0.000 0.445 428 W N -0.728 120.445 121.300 -0.211 0.000 2.363 428 W HA -0.077 4.583 4.660 -0.000 0.000 0.296 428 W C 2.253 178.651 176.519 -0.202 0.000 1.212 428 W CA 0.691 57.911 57.345 -0.208 0.000 1.260 428 W CB -1.333 27.976 29.460 -0.252 0.000 1.131 428 W HN 0.270 nan 8.180 nan 0.000 0.530 429 L N 1.202 122.402 121.223 -0.038 0.000 2.056 429 L HA -0.171 4.169 4.340 -0.000 0.000 0.207 429 L C 1.813 178.664 176.870 -0.031 0.000 1.078 429 L CA 2.136 56.931 54.840 -0.075 0.000 0.749 429 L CB -1.013 40.994 42.059 -0.085 0.000 0.901 429 L HN -0.261 nan 8.230 nan 0.000 0.433 430 D N -0.532 119.848 120.400 -0.033 0.000 2.144 430 D HA -0.180 4.460 4.640 -0.000 0.000 0.199 430 D C 2.145 178.443 176.300 -0.003 0.000 0.984 430 D CA 0.871 54.863 54.000 -0.013 0.000 0.834 430 D CB -0.074 40.711 40.800 -0.024 0.000 0.955 430 D HN 0.227 nan 8.370 nan 0.000 0.465 431 K N 0.324 120.725 120.400 0.002 0.000 2.057 431 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 431 K C 2.101 178.703 176.600 0.003 0.000 1.050 431 K CA 0.270 56.565 56.287 0.013 0.000 0.935 431 K CB -0.440 32.084 32.500 0.039 0.000 0.715 431 K HN 0.131 nan 8.250 nan 0.000 0.439 432 L N 1.924 123.138 121.223 -0.014 0.000 2.017 432 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 432 L C 2.331 179.200 176.870 -0.002 0.000 1.073 432 L CA 2.036 56.857 54.840 -0.032 0.000 0.745 432 L CB -0.622 41.380 42.059 -0.095 0.000 0.894 432 L HN 0.241 nan 8.230 nan 0.000 0.432 433 E N -0.520 119.684 120.200 0.008 0.000 2.038 433 E HA -0.270 4.080 4.350 -0.000 0.000 0.195 433 E C 2.090 178.703 176.600 0.022 0.000 1.000 433 E CA 1.465 57.879 56.400 0.025 0.000 0.803 433 E CB -0.301 29.416 29.700 0.030 0.000 0.750 433 E HN 0.606 nan 8.360 nan 0.000 0.448 434 A N 1.001 123.831 122.820 0.016 0.000 1.940 434 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 434 A C 1.975 179.570 177.584 0.018 0.000 1.176 434 A CA 1.747 53.794 52.037 0.016 0.000 0.631 434 A CB -0.718 18.290 19.000 0.013 0.000 0.814 434 A HN 0.295 nan 8.150 nan 0.000 0.446 435 N N 0.172 118.882 118.700 0.017 0.000 2.069 435 N HA -0.130 4.610 4.740 -0.000 0.000 0.191 435 N C 1.722 177.249 175.510 0.028 0.000 1.031 435 N CA 1.698 54.760 53.050 0.020 0.000 0.852 435 N CB -0.658 37.839 38.487 0.017 0.000 1.018 435 N HN 0.265 nan 8.380 nan 0.000 0.423 436 V N 1.385 121.318 119.914 0.032 0.000 2.295 436 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 436 V C 2.247 178.363 176.094 0.036 0.000 1.049 436 V CA 1.453 63.779 62.300 0.042 0.000 1.024 436 V CB -0.410 31.444 31.823 0.051 0.000 0.648 436 V HN 0.292 nan 8.190 nan 0.000 0.447 437 K N 0.245 120.663 120.400 0.030 0.000 2.103 437 K HA -0.140 4.180 4.320 -0.000 0.000 0.207 437 K C 1.908 178.522 176.600 0.023 0.000 1.048 437 K CA 1.526 57.828 56.287 0.026 0.000 0.930 437 K CB -0.354 32.160 32.500 0.023 0.000 0.716 437 K HN 0.489 nan 8.250 nan 0.000 0.444 438 A N 0.145 122.979 122.820 0.023 0.000 2.261 438 A HA 0.166 4.486 4.320 -0.000 0.000 0.208 438 A C 1.169 178.767 177.584 0.022 0.000 1.223 438 A CA 0.791 52.841 52.037 0.020 0.000 0.833 438 A CB -0.547 18.464 19.000 0.019 0.000 0.830 438 A HN 0.453 nan 8.150 nan 0.000 0.483 439 G N -0.441 108.374 108.800 0.026 0.000 2.153 439 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.252 439 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.252 439 G C 0.088 175.008 174.900 0.033 0.000 0.994 439 G CA 0.542 45.659 45.100 0.028 0.000 0.698 439 G HN 0.588 nan 8.290 nan 0.000 0.521 440 K N 1.049 121.472 120.400 0.037 0.000 2.296 440 K HA 0.400 4.720 4.320 -0.000 0.000 0.257 440 K C -0.164 176.473 176.600 0.061 0.000 1.088 440 K CA 0.002 56.315 56.287 0.044 0.000 0.980 440 K CB 0.671 33.192 32.500 0.035 0.000 1.430 440 K HN 0.337 nan 8.250 nan 0.000 0.441 441 D N 0.289 120.739 120.400 0.083 0.000 2.593 441 D HA 0.049 4.689 4.640 -0.000 0.000 0.241 441 D C -0.453 175.965 176.300 0.198 0.000 1.257 441 D CA -0.443 53.634 54.000 0.129 0.000 0.828 441 D CB 0.199 41.080 40.800 0.136 0.000 1.049 441 D HN 0.104 nan 8.370 nan 0.000 0.490 442 D N 0.572 121.063 120.400 0.152 0.000 2.350 442 D HA 0.223 4.863 4.640 -0.000 0.000 0.249 442 D C 0.993 177.388 176.300 0.158 0.000 1.119 442 D CA -0.152 53.961 54.000 0.188 0.000 0.886 442 D CB 1.987 42.863 40.800 0.126 0.000 1.195 442 D HN 0.123 nan 8.370 nan 0.000 0.437 443 L N 1.225 122.563 121.223 0.193 0.000 3.174 443 L HA 0.203 4.543 4.340 -0.000 0.000 0.283 443 L C -0.624 176.333 176.870 0.145 0.000 1.187 443 L CA -0.226 54.651 54.840 0.062 0.000 1.018 443 L CB 0.589 42.539 42.059 -0.181 0.000 1.433 443 L HN 0.359 nan 8.230 nan 0.000 0.593 444 Y N 0.082 120.422 120.300 0.066 0.000 2.492 444 Y HA 0.514 5.064 4.550 -0.000 0.000 0.346 444 Y C -0.800 175.156 175.900 0.093 0.000 0.997 444 Y CA -0.685 57.462 58.100 0.078 0.000 1.025 444 Y CB 2.048 40.580 38.460 0.119 0.000 1.263 444 Y HN -0.252 nan 8.280 nan 0.000 0.454 445 T N 5.246 119.527 114.554 -0.456 0.000 2.824 445 T HA 0.253 4.603 4.350 -0.000 0.000 0.282 445 T C -1.194 173.262 174.700 -0.407 0.000 0.993 445 T CA -0.840 61.099 62.100 -0.268 0.000 0.967 445 T CB 0.983 69.773 68.868 -0.130 0.000 0.960 445 T HN 0.489 nan 8.240 nan 0.000 0.441 446 D N 2.842 123.160 120.400 -0.137 0.000 2.382 446 D HA 0.223 4.863 4.640 -0.000 0.000 0.240 446 D C -0.087 176.225 176.300 0.021 0.000 1.146 446 D CA 0.254 54.215 54.000 -0.065 0.000 0.897 446 D CB 0.736 41.531 40.800 -0.009 0.000 1.197 446 D HN 0.553 nan 8.370 nan 0.000 0.432 447 W N -0.124 121.103 121.300 -0.120 0.000 3.074 447 W HA 0.494 5.154 4.660 -0.000 0.000 0.332 447 W C -1.571 174.879 176.519 -0.116 0.000 1.253 447 W CA -0.781 56.489 57.345 -0.126 0.000 1.180 447 W CB 0.720 30.077 29.460 -0.171 0.000 1.445 447 W HN 0.140 nan 8.180 nan 0.000 0.573 448 Q N 0.404 120.296 119.800 0.152 0.000 2.416 448 Q HA 0.373 4.713 4.340 -0.000 0.000 0.281 448 Q C -1.553 174.582 176.000 0.226 0.000 1.067 448 Q CA -0.864 54.944 55.803 0.009 0.000 0.809 448 Q CB 2.689 31.424 28.738 -0.006 0.000 1.418 448 Q HN 0.287 nan 8.270 nan 0.000 0.411 449 Y N 1.483 121.943 120.300 0.267 0.000 2.465 449 Y HA 0.247 4.797 4.550 -0.000 0.000 0.331 449 Y C -1.733 174.250 175.900 0.139 0.000 1.102 449 Y CA -1.571 56.681 58.100 0.254 0.000 1.358 449 Y CB 0.002 38.588 38.460 0.211 0.000 1.213 449 Y HN 0.426 nan 8.280 nan 0.000 0.525 450 P HA 0.029 nan 4.420 nan 0.000 0.270 450 P C 0.959 178.348 177.300 0.148 0.000 1.223 450 P CA 0.040 63.240 63.100 0.167 0.000 0.785 450 P CB 0.722 32.497 31.700 0.126 0.000 0.923 451 T N -0.394 114.215 114.554 0.090 0.000 2.685 451 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 451 T C 0.450 175.176 174.700 0.043 0.000 1.034 451 T CA 1.582 63.717 62.100 0.058 0.000 1.149 451 T CB -0.255 68.634 68.868 0.036 0.000 0.860 451 T HN 0.529 nan 8.240 nan 0.000 0.449 452 E N -0.439 119.788 120.200 0.046 0.000 2.354 452 E HA 0.450 4.800 4.350 -0.000 0.000 0.283 452 E C -1.451 175.167 176.600 0.031 0.000 0.938 452 E CA -0.469 55.946 56.400 0.026 0.000 0.777 452 E CB 1.775 31.479 29.700 0.006 0.000 1.222 452 E HN 0.264 nan 8.360 nan 0.000 0.423 453 S N 2.469 118.185 115.700 0.027 0.000 2.611 453 S HA 0.512 4.982 4.470 -0.000 0.000 0.268 453 S C -1.446 173.148 174.600 -0.011 0.000 1.156 453 S CA -1.047 57.163 58.200 0.017 0.000 0.817 453 S CB 1.672 64.906 63.200 0.058 0.000 1.122 453 S HN 0.511 nan 8.310 nan 0.000 0.466 454 Q N 0.315 120.086 119.800 -0.049 0.000 2.451 454 Q HA 0.844 5.184 4.340 -0.000 0.000 0.281 454 Q C -0.436 175.581 176.000 0.028 0.000 1.099 454 Q CA -1.322 54.440 55.803 -0.069 0.000 0.806 454 Q CB 1.999 30.514 28.738 -0.371 0.000 1.419 454 Q HN 1.236 nan 8.270 nan 0.000 0.427 455 G N -0.119 108.766 108.800 0.142 0.000 2.698 455 G HA2 0.542 4.502 3.960 -0.000 0.000 0.293 455 G HA3 0.542 4.502 3.960 -0.000 0.000 0.293 455 G C -1.968 172.943 174.900 0.019 0.000 1.437 455 G CA -0.508 44.645 45.100 0.089 0.000 0.852 455 G HN 0.587 nan 8.290 nan 0.000 0.499 456 V N -0.241 119.537 119.914 -0.227 0.000 2.808 456 V HA 0.897 5.017 4.120 -0.000 0.000 0.308 456 V C -0.027 175.575 176.094 -0.821 0.000 1.099 456 V CA 0.154 62.017 62.300 -0.728 0.000 0.920 456 V CB 2.025 33.137 31.823 -1.186 0.000 1.014 456 V HN 1.487 nan 8.190 nan 0.000 0.425 457 G N 4.976 113.218 108.800 -0.929 0.000 2.478 457 G HA2 0.672 4.632 3.960 -0.000 0.000 0.317 457 G HA3 0.672 4.632 3.960 -0.000 0.000 0.317 457 G C -1.459 172.899 174.900 -0.903 0.000 1.259 457 G CA -0.393 44.258 45.100 -0.747 0.000 0.933 457 G HN 0.475 nan 8.290 nan 0.000 0.478 458 F N 1.672 121.422 119.950 -0.334 0.000 2.427 458 F HA 0.578 5.105 4.527 -0.000 0.000 0.346 458 F C 0.123 175.751 175.800 -0.286 0.000 1.120 458 F CA -0.863 56.972 58.000 -0.275 0.000 1.033 458 F CB 2.479 41.364 39.000 -0.190 0.000 1.126 458 F HN 0.187 nan 8.300 nan 0.000 0.462 459 V N 3.254 123.104 119.914 -0.107 0.000 2.577 459 V HA 0.275 4.395 4.120 -0.000 0.000 0.303 459 V C -0.467 175.538 176.094 -0.149 0.000 1.042 459 V CA -1.142 61.044 62.300 -0.190 0.000 0.872 459 V CB 2.010 33.663 31.823 -0.284 0.000 0.998 459 V HN 0.745 nan 8.190 nan 0.000 0.423 460 N N 3.278 121.880 118.700 -0.164 0.000 2.602 460 N HA 0.449 5.189 4.740 -0.000 0.000 0.238 460 N C 0.145 175.643 175.510 -0.020 0.000 1.084 460 N CA -0.138 52.846 53.050 -0.110 0.000 0.952 460 N CB 1.076 39.496 38.487 -0.111 0.000 1.244 460 N HN 0.890 nan 8.380 nan 0.000 0.512 461 A N 3.982 126.777 122.820 -0.042 0.000 2.310 461 A HA 0.295 4.615 4.320 -0.000 0.000 0.260 461 A C -1.330 176.203 177.584 -0.086 0.000 1.112 461 A CA -1.032 50.996 52.037 -0.015 0.000 0.804 461 A CB -0.056 18.912 19.000 -0.053 0.000 1.081 461 A HN 0.451 nan 8.150 nan 0.000 0.499 462 P HA -0.100 nan 4.420 nan 0.000 0.219 462 P C 1.019 178.312 177.300 -0.012 0.000 1.146 462 P CA 1.337 64.262 63.100 -0.292 0.000 0.808 462 P CB 0.098 31.608 31.700 -0.316 0.000 0.779 463 R N -1.743 118.762 120.500 0.008 0.000 2.300 463 R HA 0.382 4.722 4.340 -0.000 0.000 0.199 463 R C 1.050 177.381 176.300 0.052 0.000 0.920 463 R CA 0.471 56.602 56.100 0.053 0.000 1.046 463 R CB 0.265 30.621 30.300 0.092 0.000 0.984 463 R HN 0.209 nan 8.270 nan 0.000 0.493 464 G N 0.177 108.982 108.800 0.008 0.000 2.280 464 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.277 464 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.277 464 G C -1.185 173.684 174.900 -0.051 0.000 1.288 464 G CA -0.841 44.246 45.100 -0.022 0.000 1.075 464 G HN -0.027 nan 8.290 nan 0.000 0.480 465 M N 1.036 120.566 119.600 -0.117 0.000 2.251 465 M HA 0.495 4.975 4.480 -0.000 0.000 0.346 465 M C -0.686 175.640 176.300 0.044 0.000 1.499 465 M CA -0.229 54.987 55.300 -0.140 0.000 1.128 465 M CB -0.023 32.365 32.600 -0.353 0.000 1.809 465 M HN 0.736 nan 8.290 nan 0.000 0.464 466 L N 6.405 127.649 121.223 0.034 0.000 2.329 466 L HA 0.652 4.992 4.340 -0.000 0.000 0.279 466 L C -0.875 176.036 176.870 0.068 0.000 1.014 466 L CA 0.091 54.974 54.840 0.072 0.000 0.814 466 L CB 1.969 43.971 42.059 -0.095 0.000 1.257 466 L HN 0.742 nan 8.230 nan 0.000 0.424 467 S N 2.307 118.101 115.700 0.157 0.000 2.619 467 S HA 0.575 5.045 4.470 -0.000 0.000 0.280 467 S C -1.003 173.613 174.600 0.027 0.000 1.150 467 S CA -0.740 57.407 58.200 -0.089 0.000 0.978 467 S CB 0.745 63.934 63.200 -0.019 0.000 1.041 467 S HN 0.773 nan 8.310 nan 0.000 0.485 468 H N 1.034 119.809 119.070 -0.491 0.000 2.457 468 H HA 0.456 5.012 4.556 -0.000 0.000 0.335 468 H C -1.442 173.442 175.328 -0.740 0.000 1.115 468 H CA -0.707 55.120 56.048 -0.368 0.000 1.219 468 H CB 1.205 30.857 29.762 -0.184 0.000 1.471 468 H HN 0.619 nan 8.280 nan 0.000 0.491 469 W N 4.158 125.133 121.300 -0.543 0.000 2.554 469 W HA 0.440 5.100 4.660 -0.000 0.000 0.324 469 W C -0.679 175.492 176.519 -0.581 0.000 1.018 469 W CA -0.530 56.510 57.345 -0.507 0.000 1.243 469 W CB 1.088 30.248 29.460 -0.501 0.000 1.345 469 W HN 0.324 nan 8.180 nan 0.000 0.441 470 I N 3.630 124.096 120.570 -0.174 0.000 2.474 470 I HA 0.688 4.858 4.170 -0.000 0.000 0.294 470 I C -1.203 174.979 176.117 0.108 0.000 1.005 470 I CA -1.109 60.106 61.300 -0.141 0.000 1.113 470 I CB 1.384 39.294 38.000 -0.151 0.000 1.289 470 I HN 0.109 nan 8.210 nan 0.000 0.436 471 V N 6.802 126.775 119.914 0.098 0.000 2.444 471 V HA 0.446 4.566 4.120 -0.000 0.000 0.294 471 V C -0.758 175.369 176.094 0.056 0.000 1.022 471 V CA -0.497 61.839 62.300 0.059 0.000 0.850 471 V CB 1.560 33.410 31.823 0.045 0.000 0.992 471 V HN 0.804 nan 8.190 nan 0.000 0.426 472 Q N 3.847 123.672 119.800 0.040 0.000 2.397 472 Q HA 0.771 5.111 4.340 -0.000 0.000 0.275 472 Q C -0.869 175.129 176.000 -0.003 0.000 1.090 472 Q CA -0.835 54.983 55.803 0.026 0.000 0.809 472 Q CB 2.495 31.262 28.738 0.047 0.000 1.362 472 Q HN 0.630 nan 8.270 nan 0.000 0.431 473 R N 0.970 121.451 120.500 -0.032 0.000 2.514 473 R HA 0.557 4.897 4.340 -0.000 0.000 0.296 473 R C -0.253 176.002 176.300 -0.075 0.000 1.012 473 R CA 0.127 56.205 56.100 -0.037 0.000 0.897 473 R CB 1.232 31.518 30.300 -0.023 0.000 1.184 473 R HN 1.222 nan 8.270 nan 0.000 0.440 474 G N 2.379 111.133 108.800 -0.078 0.000 2.283 474 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.280 474 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.280 474 G C 0.714 175.470 174.900 -0.239 0.000 1.029 474 G CA 0.644 45.682 45.100 -0.104 0.000 0.840 474 G HN 1.448 nan 8.290 nan 0.000 0.505 475 G N -1.611 106.897 108.800 -0.486 0.000 2.198 475 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.257 475 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.257 475 G C 0.108 174.745 174.900 -0.438 0.000 1.042 475 G CA 1.199 45.691 45.100 -1.013 0.000 0.791 475 G HN 1.034 nan 8.290 nan 0.000 0.502 476 K N -0.751 119.511 120.400 -0.231 0.000 2.422 476 K HA 0.573 4.893 4.320 -0.000 0.000 0.251 476 K C 0.117 176.695 176.600 -0.037 0.000 0.933 476 K CA -1.103 55.128 56.287 -0.094 0.000 0.798 476 K CB 1.756 34.217 32.500 -0.066 0.000 1.238 476 K HN 0.128 nan 8.250 nan 0.000 0.428 477 I N 3.501 124.076 120.570 0.008 0.000 2.452 477 I HA -0.043 4.127 4.170 -0.000 0.000 0.287 477 I C 1.287 177.429 176.117 0.041 0.000 1.079 477 I CA 0.245 61.582 61.300 0.061 0.000 1.387 477 I CB 0.707 38.759 38.000 0.087 0.000 1.404 477 I HN 0.577 nan 8.210 nan 0.000 0.522 478 E N 3.909 124.138 120.200 0.048 0.000 2.166 478 E HA 0.093 4.443 4.350 -0.000 0.000 0.192 478 E C 0.049 176.680 176.600 0.051 0.000 0.967 478 E CA 0.535 56.955 56.400 0.033 0.000 0.840 478 E CB 0.146 29.857 29.700 0.018 0.000 0.795 478 E HN 0.528 nan 8.360 nan 0.000 0.470 479 N N -0.694 118.057 118.700 0.086 0.000 2.367 479 N HA 0.252 4.992 4.740 -0.000 0.000 0.278 479 N C -2.156 173.457 175.510 0.171 0.000 1.117 479 N CA -0.540 52.572 53.050 0.103 0.000 0.867 479 N CB 1.348 39.876 38.487 0.068 0.000 1.649 479 N HN -0.122 nan 8.380 nan 0.000 0.479 480 F N 2.301 122.266 119.950 0.025 0.000 2.730 480 F HA 0.450 4.976 4.527 -0.000 0.000 0.335 480 F C -1.186 174.614 175.800 0.000 0.000 1.212 480 F CA -0.369 57.646 58.000 0.024 0.000 1.016 480 F CB 1.238 40.226 39.000 -0.019 0.000 1.290 480 F HN 0.266 nan 8.300 nan 0.000 0.495 481 Q N 6.614 126.456 119.800 0.070 0.000 2.353 481 Q HA 0.601 4.941 4.340 -0.000 0.000 0.268 481 Q C -1.167 174.876 176.000 0.073 0.000 1.045 481 Q CA -0.795 55.058 55.803 0.084 0.000 0.811 481 Q CB 3.157 31.872 28.738 -0.037 0.000 1.305 481 Q HN 0.687 nan 8.270 nan 0.000 0.447 482 L N 0.770 121.988 121.223 -0.008 0.000 2.317 482 L HA 0.745 5.085 4.340 -0.000 0.000 0.281 482 L C -0.262 176.619 176.870 0.017 0.000 1.024 482 L CA -1.263 53.505 54.840 -0.120 0.000 0.810 482 L CB 1.517 43.266 42.059 -0.517 0.000 1.240 482 L HN 0.148 nan 8.230 nan 0.000 0.427 483 V N 3.438 123.469 119.914 0.195 0.000 2.409 483 V HA 0.489 4.609 4.120 -0.000 0.000 0.290 483 V C -0.159 176.134 176.094 0.332 0.000 1.017 483 V CA -0.608 61.830 62.300 0.230 0.000 0.841 483 V CB 2.162 34.128 31.823 0.238 0.000 1.003 483 V HN 0.597 nan 8.190 nan 0.000 0.426 484 V N 5.974 126.083 119.914 0.326 0.000 2.864 484 V HA 0.657 4.777 4.120 -0.000 0.000 0.314 484 V C -1.801 174.544 176.094 0.419 0.000 1.073 484 V CA -1.966 60.548 62.300 0.356 0.000 0.956 484 V CB 2.780 34.817 31.823 0.356 0.000 1.023 484 V HN 0.525 nan 8.190 nan 0.000 0.435 485 P HA -0.125 nan 4.420 nan 0.000 0.216 485 P C 1.664 179.172 177.300 0.347 0.000 1.157 485 P CA 2.074 65.381 63.100 0.346 0.000 0.880 485 P CB 0.130 31.940 31.700 0.184 0.000 0.791 486 S N -0.984 114.883 115.700 0.280 0.000 2.447 486 S HA -0.081 4.389 4.470 -0.000 0.000 0.233 486 S C 1.872 176.608 174.600 0.227 0.000 1.006 486 S CA 1.537 59.880 58.200 0.238 0.000 0.957 486 S CB -1.197 62.131 63.200 0.213 0.000 0.773 486 S HN 0.312 nan 8.310 nan 0.000 0.507 487 T N 0.883 115.587 114.554 0.250 0.000 2.708 487 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 487 T C 1.327 176.093 174.700 0.109 0.000 1.037 487 T CA 1.255 63.447 62.100 0.154 0.000 1.146 487 T CB -0.362 68.574 68.868 0.114 0.000 0.865 487 T HN 0.553 nan 8.240 nan 0.000 0.435 488 W N 2.009 123.385 121.300 0.126 0.000 2.354 488 W HA -0.039 4.621 4.660 -0.000 0.000 0.315 488 W C 2.496 179.054 176.519 0.064 0.000 1.206 488 W CA 0.548 57.958 57.345 0.108 0.000 1.290 488 W CB -0.531 29.002 29.460 0.121 0.000 1.152 488 W HN 0.168 nan 8.180 nan 0.000 0.489 489 N N -0.203 118.672 118.700 0.292 0.000 2.171 489 N HA -0.066 4.674 4.740 -0.000 0.000 0.184 489 N C 1.386 176.859 175.510 -0.061 0.000 1.021 489 N CA 1.249 54.350 53.050 0.084 0.000 0.854 489 N CB -0.605 37.947 38.487 0.108 0.000 0.994 489 N HN 0.155 nan 8.380 nan 0.000 0.426 490 L N -0.313 120.924 121.223 0.023 0.000 2.766 490 L HA 0.342 4.682 4.340 -0.000 0.000 0.242 490 L C 1.240 178.135 176.870 0.041 0.000 1.136 490 L CA -0.239 54.605 54.840 0.005 0.000 0.933 490 L CB 0.367 42.455 42.059 0.048 0.000 1.241 490 L HN -0.052 nan 8.230 nan 0.000 0.522 491 G N 0.756 109.582 108.800 0.044 0.000 2.716 491 G HA2 0.287 4.247 3.960 -0.000 0.000 0.251 491 G HA3 0.287 4.247 3.960 -0.000 0.000 0.251 491 G C -2.386 172.510 174.900 -0.006 0.000 1.224 491 G CA -0.477 44.632 45.100 0.015 0.000 0.891 491 G HN -0.078 nan 8.290 nan 0.000 0.561 492 P HA 0.308 nan 4.420 nan 0.000 0.317 492 P C -0.163 177.120 177.300 -0.027 0.000 1.307 492 P CA -0.906 62.138 63.100 -0.094 0.000 0.749 492 P CB 0.961 32.289 31.700 -0.620 0.000 1.377 493 R N -1.036 119.478 120.500 0.022 0.000 2.756 493 R HA 0.148 4.488 4.340 -0.000 0.000 0.264 493 R C 0.641 176.992 176.300 0.086 0.000 1.026 493 R CA 0.001 56.096 56.100 -0.008 0.000 1.121 493 R CB -0.463 29.727 30.300 -0.183 0.000 0.999 493 R HN 0.617 nan 8.270 nan 0.000 0.449 494 C N -0.572 118.734 119.300 0.011 0.000 2.464 494 C HA 0.635 5.095 4.460 -0.000 0.000 0.398 494 C C 1.883 176.899 174.990 0.043 0.000 1.451 494 C CA -0.296 58.650 59.018 -0.119 0.000 1.986 494 C CB 0.451 27.842 27.740 -0.583 0.000 2.004 494 C HN 0.868 nan 8.230 nan 0.000 0.530 495 A N -0.666 122.127 122.820 -0.045 0.000 2.125 495 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 495 A C 1.795 179.424 177.584 0.076 0.000 1.156 495 A CA 1.627 53.709 52.037 0.076 0.000 0.671 495 A CB -0.650 18.451 19.000 0.167 0.000 0.794 495 A HN 0.879 nan 8.150 nan 0.000 0.459 496 E N -1.186 119.013 120.200 -0.001 0.000 2.479 496 E HA 0.246 4.596 4.350 -0.000 0.000 0.193 496 E C 1.269 177.894 176.600 0.041 0.000 1.049 496 E CA 0.380 56.792 56.400 0.019 0.000 0.870 496 E CB -0.382 29.309 29.700 -0.015 0.000 0.944 496 E HN 0.678 nan 8.360 nan 0.000 0.492 497 G N 1.339 110.194 108.800 0.092 0.000 2.155 497 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.257 497 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.257 497 G C 0.053 174.919 174.900 -0.057 0.000 0.983 497 G CA 0.506 45.626 45.100 0.034 0.000 0.676 497 G HN 0.273 nan 8.290 nan 0.000 0.528 498 K N 0.046 120.418 120.400 -0.047 0.000 2.322 498 K HA 0.481 4.801 4.320 -0.000 0.000 0.283 498 K C 0.635 177.190 176.600 -0.075 0.000 1.042 498 K CA -0.820 55.432 56.287 -0.057 0.000 0.958 498 K CB 0.976 33.457 32.500 -0.031 0.000 0.984 498 K HN 0.076 nan 8.250 nan 0.000 0.473 499 L N 2.154 123.318 121.223 -0.098 0.000 2.483 499 L HA -0.022 4.318 4.340 -0.000 0.000 0.275 499 L C 0.958 177.789 176.870 -0.064 0.000 1.220 499 L CA 0.566 55.339 54.840 -0.112 0.000 0.833 499 L CB 0.504 42.474 42.059 -0.149 0.000 1.102 499 L HN 0.775 nan 8.230 nan 0.000 0.490 500 S N 1.200 116.867 115.700 -0.054 0.000 2.655 500 S HA 0.509 4.979 4.470 -0.000 0.000 0.265 500 S C 1.239 175.802 174.600 -0.062 0.000 1.240 500 S CA -0.213 57.970 58.200 -0.028 0.000 0.986 500 S CB 0.887 64.077 63.200 -0.017 0.000 0.985 500 S HN 0.716 nan 8.310 nan 0.000 0.562 501 A N 0.609 123.393 122.820 -0.059 0.000 1.892 501 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 501 A C 2.265 179.737 177.584 -0.186 0.000 1.188 501 A CA 1.971 53.960 52.037 -0.079 0.000 0.631 501 A CB -1.403 17.587 19.000 -0.016 0.000 0.822 501 A HN 1.040 nan 8.150 nan 0.000 0.447 502 V N -0.124 119.543 119.914 -0.411 0.000 2.453 502 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 502 V C 2.264 178.280 176.094 -0.131 0.000 1.048 502 V CA 2.512 64.563 62.300 -0.414 0.000 1.049 502 V CB -0.559 30.989 31.823 -0.458 0.000 0.672 502 V HN 0.719 nan 8.190 nan 0.000 0.457 503 E N -0.544 119.584 120.200 -0.121 0.000 2.077 503 E HA -0.309 4.041 4.350 -0.000 0.000 0.193 503 E C 2.188 178.722 176.600 -0.110 0.000 0.989 503 E CA 1.628 57.954 56.400 -0.123 0.000 0.800 503 E CB -0.127 29.476 29.700 -0.162 0.000 0.746 503 E HN 0.584 nan 8.360 nan 0.000 0.452 504 Q N 0.692 120.442 119.800 -0.085 0.000 2.119 504 Q HA -0.059 4.281 4.340 -0.000 0.000 0.201 504 Q C 1.887 177.886 176.000 -0.001 0.000 0.972 504 Q CA 1.607 57.375 55.803 -0.059 0.000 0.847 504 Q CB -0.242 28.465 28.738 -0.052 0.000 0.903 504 Q HN 0.234 nan 8.270 nan 0.000 0.433 505 A N -0.030 122.824 122.820 0.057 0.000 1.972 505 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 505 A C 1.992 179.646 177.584 0.118 0.000 1.169 505 A CA 1.196 53.322 52.037 0.150 0.000 0.635 505 A CB -0.605 18.600 19.000 0.341 0.000 0.810 505 A HN 0.453 nan 8.150 nan 0.000 0.446 506 L N 0.285 121.550 121.223 0.070 0.000 2.217 506 L HA -0.005 4.335 4.340 -0.000 0.000 0.211 506 L C 0.201 177.079 176.870 0.014 0.000 1.107 506 L CA -0.182 54.692 54.840 0.056 0.000 0.783 506 L CB -0.371 41.708 42.059 0.033 0.000 0.919 506 L HN 0.256 nan 8.230 nan 0.000 0.442 507 I N 0.990 121.548 120.570 -0.021 0.000 2.752 507 I HA -0.010 4.160 4.170 -0.000 0.000 0.289 507 I C 1.512 177.616 176.117 -0.022 0.000 1.197 507 I CA 1.278 62.555 61.300 -0.039 0.000 1.432 507 I CB -0.420 37.543 38.000 -0.061 0.000 1.359 507 I HN 0.402 nan 8.210 nan 0.000 0.571 508 G N 4.632 113.416 108.800 -0.026 0.000 2.234 508 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.235 508 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.235 508 G C 0.522 175.396 174.900 -0.043 0.000 0.997 508 G CA 0.115 45.196 45.100 -0.032 0.000 0.623 508 G HN 0.592 nan 8.290 nan 0.000 0.514 509 T N 4.864 119.402 114.554 -0.027 0.000 2.831 509 T HA 0.435 4.785 4.350 -0.000 0.000 0.291 509 T C -1.856 172.830 174.700 -0.023 0.000 0.981 509 T CA 0.371 62.450 62.100 -0.035 0.000 1.174 509 T CB 1.503 70.397 68.868 0.043 0.000 0.929 509 T HN 0.347 nan 8.240 nan 0.000 0.532 510 P HA 0.342 nan 4.420 nan 0.000 0.279 510 P C -0.745 176.583 177.300 0.046 0.000 1.239 510 P CA -0.437 62.654 63.100 -0.014 0.000 0.789 510 P CB 0.791 32.465 31.700 -0.044 0.000 0.933 511 I N 2.592 123.193 120.570 0.053 0.000 2.420 511 I HA 0.199 4.369 4.170 -0.000 0.000 0.282 511 I C 1.371 177.531 176.117 0.071 0.000 1.019 511 I CA -0.730 60.615 61.300 0.075 0.000 1.130 511 I CB 1.289 39.322 38.000 0.054 0.000 1.262 511 I HN 0.361 nan 8.210 nan 0.000 0.454 512 A N 4.632 127.518 122.820 0.110 0.000 1.898 512 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 512 A C 0.744 178.340 177.584 0.020 0.000 1.181 512 A CA 1.413 53.500 52.037 0.083 0.000 0.620 512 A CB -0.045 19.040 19.000 0.141 0.000 0.819 512 A HN 0.694 nan 8.150 nan 0.000 0.442 513 D N -2.286 118.123 120.400 0.015 0.000 2.402 513 D HA 0.379 5.019 4.640 -0.000 0.000 0.252 513 D C -2.449 173.831 176.300 -0.032 0.000 1.294 513 D CA -1.989 51.980 54.000 -0.051 0.000 0.948 513 D CB 1.515 42.207 40.800 -0.181 0.000 1.202 513 D HN -0.113 nan 8.370 nan 0.000 0.561 514 P HA -0.092 nan 4.420 nan 0.000 0.221 514 P C 0.923 178.200 177.300 -0.038 0.000 1.145 514 P CA 0.981 64.072 63.100 -0.015 0.000 0.795 514 P CB 0.373 32.071 31.700 -0.003 0.000 0.775 515 K N -0.797 119.570 120.400 -0.056 0.000 2.296 515 K HA 0.040 4.360 4.320 -0.000 0.000 0.200 515 K C 0.652 177.160 176.600 -0.154 0.000 1.048 515 K CA 0.696 56.947 56.287 -0.061 0.000 0.966 515 K CB 0.133 32.611 32.500 -0.037 0.000 0.754 515 K HN 0.173 nan 8.250 nan 0.000 0.466 516 R N 1.219 121.559 120.500 -0.266 0.000 2.644 516 R HA 0.146 4.486 4.340 -0.000 0.000 0.271 516 R C -2.646 173.301 176.300 -0.589 0.000 1.687 516 R CA -1.214 54.437 56.100 -0.748 0.000 1.655 516 R CB 1.092 31.141 30.300 -0.419 0.000 1.285 516 R HN -0.068 nan 8.270 nan 0.000 0.643 517 P HA -0.006 nan 4.420 nan 0.000 0.230 517 P C 0.901 178.196 177.300 -0.010 0.000 1.791 517 P CA 0.062 63.103 63.100 -0.097 0.000 1.020 517 P CB 0.806 32.498 31.700 -0.014 0.000 1.977 518 V N 2.394 122.298 119.914 -0.015 0.000 2.594 518 V HA -0.243 3.877 4.120 -0.000 0.000 0.253 518 V C 1.894 177.952 176.094 -0.061 0.000 1.069 518 V CA 2.004 64.331 62.300 0.045 0.000 1.082 518 V CB -0.662 31.104 31.823 -0.095 0.000 0.680 518 V HN 0.177 nan 8.190 nan 0.000 0.469 519 E N 0.358 120.582 120.200 0.041 0.000 2.160 519 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 519 E C 1.945 178.651 176.600 0.177 0.000 0.991 519 E CA 1.908 58.433 56.400 0.209 0.000 0.810 519 E CB -0.302 29.610 29.700 0.353 0.000 0.742 519 E HN 0.674 nan 8.360 nan 0.000 0.466 520 I N 0.388 121.021 120.570 0.105 0.000 2.163 520 I HA -0.268 3.902 4.170 -0.000 0.000 0.240 520 I C 2.148 178.266 176.117 0.003 0.000 1.081 520 I CA 0.979 62.328 61.300 0.082 0.000 1.353 520 I CB -0.355 37.691 38.000 0.076 0.000 1.054 520 I HN 0.115 nan 8.210 nan 0.000 0.407 521 L N 0.292 121.482 121.223 -0.056 0.000 2.043 521 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 521 L C 2.788 179.515 176.870 -0.238 0.000 1.075 521 L CA 1.600 56.288 54.840 -0.254 0.000 0.752 521 L CB -0.759 41.230 42.059 -0.116 0.000 0.891 521 L HN 0.225 nan 8.230 nan 0.000 0.432 522 R N -0.756 119.610 120.500 -0.223 0.000 2.083 522 R HA -0.142 4.198 4.340 -0.000 0.000 0.237 522 R C 2.369 178.718 176.300 0.081 0.000 1.137 522 R CA 2.031 57.957 56.100 -0.290 0.000 0.951 522 R CB -0.503 29.173 30.300 -1.039 0.000 0.851 522 R HN 0.299 nan 8.270 nan 0.000 0.434 523 T N 0.154 114.799 114.554 0.152 0.000 2.809 523 T HA -0.048 4.302 4.350 -0.000 0.000 0.260 523 T C 1.907 176.771 174.700 0.273 0.000 1.039 523 T CA 1.097 63.370 62.100 0.287 0.000 1.141 523 T CB -0.024 69.046 68.868 0.337 0.000 0.869 523 T HN -0.031 nan 8.240 nan 0.000 0.437 524 V N 1.226 121.228 119.914 0.147 0.000 2.255 524 V HA -0.236 3.883 4.120 -0.000 0.000 0.247 524 V C 2.126 178.311 176.094 0.152 0.000 1.051 524 V CA 1.894 64.271 62.300 0.128 0.000 1.018 524 V CB -0.793 31.017 31.823 -0.023 0.000 0.641 524 V HN 0.655 nan 8.190 nan 0.000 0.445 525 H N 0.444 119.562 119.070 0.079 0.000 2.457 525 H HA -0.143 4.412 4.556 -0.000 0.000 0.297 525 H C 2.455 177.675 175.328 -0.180 0.000 1.092 525 H CA 1.348 57.367 56.048 -0.048 0.000 1.309 525 H CB -0.039 29.602 29.762 -0.201 0.000 1.382 525 H HN 0.606 nan 8.280 nan 0.000 0.535 526 S N 0.104 115.803 115.700 -0.002 0.000 2.447 526 S HA -0.186 4.284 4.470 -0.000 0.000 0.233 526 S C 1.535 176.085 174.600 -0.082 0.000 1.006 526 S CA 0.815 59.011 58.200 -0.006 0.000 0.957 526 S CB -0.432 62.850 63.200 0.138 0.000 0.773 526 S HN 0.449 nan 8.310 nan 0.000 0.507 527 Y N 1.694 122.031 120.300 0.062 0.000 2.583 527 Y HA 0.165 4.715 4.550 -0.000 0.000 0.293 527 Y C 0.777 176.677 175.900 -0.001 0.000 1.157 527 Y CA 0.328 58.458 58.100 0.050 0.000 1.315 527 Y CB -0.216 38.294 38.460 0.084 0.000 1.021 527 Y HN 0.228 nan 8.280 nan 0.000 0.536 528 D N 0.175 120.614 120.400 0.065 0.000 2.812 528 D HA -0.145 4.495 4.640 -0.000 0.000 0.237 528 D C -2.776 173.597 176.300 0.122 0.000 1.162 528 D CA -0.105 53.863 54.000 -0.053 0.000 0.740 528 D CB -0.268 40.301 40.800 -0.386 0.000 1.000 528 D HN 0.132 nan 8.370 nan 0.000 0.416 529 P HA 0.133 nan 4.420 nan 0.000 0.268 529 P C -0.227 177.175 177.300 0.170 0.000 1.205 529 P CA -0.522 62.689 63.100 0.185 0.000 0.771 529 P CB 1.149 32.958 31.700 0.181 0.000 0.858 530 C N 5.719 125.119 119.300 0.166 0.000 2.478 530 C HA 0.332 4.792 4.460 -0.000 0.000 0.334 530 C C 1.331 176.422 174.990 0.168 0.000 1.106 530 C CA -0.505 58.609 59.018 0.161 0.000 1.363 530 C CB -0.897 26.948 27.740 0.174 0.000 1.941 530 C HN 0.480 nan 8.230 nan 0.000 0.436 531 I N 3.931 124.587 120.570 0.145 0.000 2.716 531 I HA 0.048 4.218 4.170 -0.000 0.000 0.259 531 I C 2.450 178.665 176.117 0.164 0.000 1.172 531 I CA 1.400 62.798 61.300 0.163 0.000 1.478 531 I CB -1.557 36.542 38.000 0.164 0.000 1.104 531 I HN 0.772 nan 8.210 nan 0.000 0.439 532 A N 0.289 123.190 122.820 0.135 0.000 1.898 532 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 532 A C 2.598 180.280 177.584 0.163 0.000 1.181 532 A CA 1.526 53.637 52.037 0.123 0.000 0.620 532 A CB -1.130 17.927 19.000 0.095 0.000 0.819 532 A HN 0.445 nan 8.150 nan 0.000 0.442 533 C N -0.984 118.438 119.300 0.203 0.000 2.393 533 C HA -0.074 4.386 4.460 -0.000 0.000 0.276 533 C C 3.046 178.263 174.990 0.378 0.000 1.215 533 C CA 1.067 60.261 59.018 0.292 0.000 1.743 533 C CB -1.557 26.375 27.740 0.321 0.000 2.044 533 C HN 0.697 nan 8.230 nan 0.000 0.464 534 G N -0.617 108.360 108.800 0.295 0.000 2.422 534 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.218 534 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.218 534 G C 1.553 176.584 174.900 0.218 0.000 1.146 534 G CA 1.528 46.796 45.100 0.280 0.000 0.769 534 G HN 0.452 nan 8.290 nan 0.000 0.547 535 V N 1.401 121.396 119.914 0.135 0.000 2.672 535 V HA 0.114 4.234 4.120 -0.000 0.000 0.242 535 V C 1.197 176.980 176.094 -0.518 0.000 1.059 535 V CA 0.677 62.949 62.300 -0.048 0.000 1.081 535 V CB -0.769 31.156 31.823 0.170 0.000 0.752 535 V HN 0.763 nan 8.190 nan 0.000 0.472 536 H N 0.000 119.095 119.070 0.042 0.000 2.539 536 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 536 H CA 0.000 56.006 56.048 -0.069 0.000 1.023 536 H CB 0.000 29.728 29.762 -0.056 0.000 1.292 536 H HN 0.000 nan 8.280 nan 0.000 0.496