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 1uws_1_A DATA FIRST_RESID 1 DATA SEQUENCE MYSFPNSFRF GWSQAGFQSE MGTPGSEDPN TDWYKWVHDP ENMAAGLVSG DATA SEQUENCE DLPENGPGYW GNYKTFHDNA QKMGLKIARL NVEWSRIFPN PLPRPXXFDE DATA SEQUENCE SKQDVTEVEI NENELKRLDE YANKDALNHY REIFKDLKSR GLYFILNMYH DATA SEQUENCE WPLPLWLHDP IRVRRGDFTG PSGWLSTRTV YEFARFSAYI AWKFDDLVDE DATA SEQUENCE YSTMNEPNVV GGLGYVGVKS GFPPGYLSFE LSRRAMYNII QAHARAYDGI DATA SEQUENCE KSVSKKPVGI IYANSSFQPL TDKDMEAVEM AENDNRWWFF DAIIRGEITX DATA SEQUENCE XXXKIVRDDL KGRLDWIGVN YYTRTVVKRT EKGYVSLGGY GHGCERNSVS DATA SEQUENCE LAGLPTSDFG WEFFPEGLYD VLTKYWNRYH LYMYVTENGI ADDADYQRPY DATA SEQUENCE YLVSHVYQVH RAINSGADVR GYLHWSLADN YEWASGFSMR FGLLKVDYNT DATA SEQUENCE KRLYWRPSAL VYREIATNGA ITDEIEHLNS VPPVKPLRH 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.934 176.300 -0.609 0.000 1.140 1 M CA 0.000 55.112 55.300 -0.313 0.000 0.988 1 M CB 0.000 32.528 32.600 -0.120 0.000 1.302 2 Y N 0.816 121.029 120.300 -0.145 0.000 2.447 2 Y HA 0.606 5.156 4.550 0.000 0.000 0.325 2 Y C -0.402 175.352 175.900 -0.243 0.000 0.976 2 Y CA -0.398 57.431 58.100 -0.453 0.000 1.280 2 Y CB 2.054 40.141 38.460 -0.621 0.000 1.104 2 Y HN 0.691 nan 8.280 nan 0.000 0.486 3 S N 3.676 119.391 115.700 0.025 0.000 2.508 3 S HA 0.564 5.034 4.470 0.000 0.000 0.284 3 S C -0.646 174.025 174.600 0.119 0.000 1.192 3 S CA -0.528 57.770 58.200 0.163 0.000 1.070 3 S CB 0.503 63.769 63.200 0.109 0.000 1.004 3 S HN 0.346 nan 8.310 nan 0.000 0.493 4 F N 2.292 122.331 119.950 0.149 0.000 2.440 4 F HA 0.473 5.000 4.527 0.000 0.000 0.328 4 F C -1.814 173.984 175.800 -0.002 0.000 1.070 4 F CA -2.055 55.924 58.000 -0.035 0.000 1.011 4 F CB 0.107 38.967 39.000 -0.234 0.000 1.226 4 F HN 0.329 nan 8.300 nan 0.000 0.491 5 P HA 0.034 nan 4.420 nan 0.000 0.268 5 P C 0.282 177.682 177.300 0.167 0.000 1.208 5 P CA 0.061 63.222 63.100 0.102 0.000 0.777 5 P CB 0.543 32.290 31.700 0.078 0.000 0.875 6 N N 0.290 119.054 118.700 0.106 0.000 2.364 6 N HA -0.113 4.628 4.740 0.000 0.000 0.183 6 N C 1.269 176.831 175.510 0.088 0.000 1.022 6 N CA 1.485 54.596 53.050 0.101 0.000 0.883 6 N CB -0.262 38.261 38.487 0.061 0.000 0.965 6 N HN 0.477 nan 8.380 nan 0.000 0.438 7 S N -0.469 115.270 115.700 0.064 0.000 2.528 7 S HA 0.057 4.527 4.470 0.000 0.000 0.219 7 S C 0.546 175.137 174.600 -0.015 0.000 0.985 7 S CA -0.498 57.700 58.200 -0.004 0.000 0.914 7 S CB -0.401 62.766 63.200 -0.054 0.000 0.776 7 S HN 0.186 nan 8.310 nan 0.000 0.526 8 F N 3.526 123.431 119.950 -0.075 0.000 2.529 8 F HA 0.399 4.926 4.527 0.000 0.000 0.365 8 F C 0.621 176.316 175.800 -0.175 0.000 1.102 8 F CA -0.443 57.479 58.000 -0.131 0.000 1.271 8 F CB 0.495 39.462 39.000 -0.055 0.000 1.120 8 F HN -0.030 nan 8.300 nan 0.000 0.579 9 R N 5.326 125.458 120.500 -0.612 0.000 2.562 9 R HA 0.440 4.780 4.340 0.000 0.000 0.298 9 R C -1.607 174.416 176.300 -0.462 0.000 0.961 9 R CA -0.839 55.058 56.100 -0.339 0.000 0.881 9 R CB 1.541 31.700 30.300 -0.234 0.000 1.159 9 R HN 0.471 nan 8.270 nan 0.000 0.450 10 F N 0.555 120.530 119.950 0.040 0.000 2.421 10 F HA 0.664 5.191 4.527 0.000 0.000 0.337 10 F C 1.062 176.966 175.800 0.173 0.000 1.105 10 F CA 0.151 58.255 58.000 0.172 0.000 1.049 10 F CB 2.053 41.105 39.000 0.087 0.000 1.139 10 F HN 0.681 nan 8.300 nan 0.000 0.479 11 G N 1.693 110.800 108.800 0.510 0.000 2.726 11 G HA2 0.462 4.422 3.960 0.000 0.000 0.198 11 G HA3 0.462 4.422 3.960 0.000 0.000 0.198 11 G C -2.247 173.048 174.900 0.658 0.000 1.195 11 G CA -0.496 44.909 45.100 0.509 0.000 0.951 11 G HN 0.748 nan 8.290 nan 0.000 0.532 12 W N -0.226 121.192 121.300 0.197 0.000 3.137 12 W HA 0.826 5.486 4.660 0.000 0.000 0.324 12 W C -1.125 175.446 176.519 0.086 0.000 1.253 12 W CA -0.897 56.539 57.345 0.153 0.000 1.183 12 W CB 1.278 30.818 29.460 0.133 0.000 1.424 12 W HN 0.579 nan 8.180 nan 0.000 0.566 13 S N 1.859 117.610 115.700 0.085 0.000 2.568 13 S HA 0.671 5.141 4.470 0.000 0.000 0.302 13 S C -0.998 173.562 174.600 -0.066 0.000 1.082 13 S CA -0.823 57.380 58.200 0.005 0.000 1.009 13 S CB 1.788 65.179 63.200 0.319 0.000 1.069 13 S HN 0.581 nan 8.310 nan 0.000 0.500 14 Q N 0.618 120.386 119.800 -0.054 0.000 2.630 14 Q HA 0.797 5.137 4.340 0.000 0.000 0.295 14 Q C -1.986 174.053 176.000 0.065 0.000 0.944 14 Q CA -1.214 54.466 55.803 -0.205 0.000 0.766 14 Q CB 1.460 30.131 28.738 -0.111 0.000 1.471 14 Q HN 0.672 nan 8.270 nan 0.000 0.416 15 A N 0.180 123.013 122.820 0.021 0.000 2.356 15 A HA 0.755 5.076 4.320 0.000 0.000 0.323 15 A C 0.630 178.231 177.584 0.029 0.000 1.119 15 A CA -0.104 51.868 52.037 -0.108 0.000 0.790 15 A CB 1.318 19.937 19.000 -0.634 0.000 1.273 15 A HN 0.963 nan 8.150 nan 0.000 0.452 16 G N 0.024 108.921 108.800 0.161 0.000 2.433 16 G HA2 -0.144 3.816 3.960 0.000 0.000 0.216 16 G HA3 -0.144 3.816 3.960 0.000 0.000 0.216 16 G C 1.249 176.286 174.900 0.228 0.000 1.186 16 G CA 1.418 46.695 45.100 0.295 0.000 0.779 16 G HN 0.754 nan 8.290 nan 0.000 0.543 17 F N 1.377 121.352 119.950 0.042 0.000 2.216 17 F HA -0.031 4.496 4.527 0.000 0.000 0.300 17 F C 2.869 178.571 175.800 -0.164 0.000 1.085 17 F CA 1.762 59.744 58.000 -0.030 0.000 1.326 17 F CB -0.003 38.987 39.000 -0.016 0.000 1.027 17 F HN 0.197 nan 8.300 nan 0.000 0.497 18 Q N -1.269 118.420 119.800 -0.185 0.000 2.187 18 Q HA -0.058 4.282 4.340 0.000 0.000 0.199 18 Q C 1.970 177.939 176.000 -0.052 0.000 0.957 18 Q CA 1.476 57.126 55.803 -0.254 0.000 0.857 18 Q CB 0.067 28.660 28.738 -0.242 0.000 0.929 18 Q HN 0.289 nan 8.270 nan 0.000 0.453 19 S N -0.364 115.341 115.700 0.008 0.000 2.554 19 S HA 0.054 4.524 4.470 0.000 0.000 0.227 19 S C 1.291 175.989 174.600 0.163 0.000 1.050 19 S CA -0.188 58.075 58.200 0.105 0.000 0.927 19 S CB 0.452 63.669 63.200 0.029 0.000 0.859 19 S HN 0.253 nan 8.310 nan 0.000 0.494 20 E N 1.273 121.572 120.200 0.166 0.000 2.028 20 E HA 0.023 4.373 4.350 0.000 0.000 0.191 20 E C 0.374 177.064 176.600 0.149 0.000 0.988 20 E CA 0.751 57.306 56.400 0.259 0.000 0.799 20 E CB -0.041 29.813 29.700 0.257 0.000 0.755 20 E HN 0.425 nan 8.360 nan 0.000 0.447 21 M N -0.810 118.797 119.600 0.012 0.000 2.226 21 M HA 0.162 4.642 4.480 0.000 0.000 0.324 21 M C 0.986 177.317 176.300 0.050 0.000 1.112 21 M CA 1.037 56.323 55.300 -0.024 0.000 1.176 21 M CB 1.094 33.632 32.600 -0.104 0.000 1.430 21 M HN 0.375 nan 8.290 nan 0.000 0.462 22 G N -0.015 108.813 108.800 0.047 0.000 2.705 22 G HA2 -0.149 3.811 3.960 0.000 0.000 0.193 22 G HA3 -0.149 3.811 3.960 0.000 0.000 0.193 22 G C 0.028 174.970 174.900 0.069 0.000 1.015 22 G CA -0.085 45.057 45.100 0.070 0.000 0.743 22 G HN 0.766 nan 8.290 nan 0.000 0.476 23 T N 1.589 116.194 114.554 0.085 0.000 2.771 23 T HA 0.616 4.966 4.350 0.000 0.000 0.291 23 T C -2.570 172.169 174.700 0.064 0.000 0.954 23 T CA -1.632 60.517 62.100 0.081 0.000 1.045 23 T CB 1.926 70.860 68.868 0.109 0.000 0.917 23 T HN 0.084 nan 8.240 nan 0.000 0.484 24 P HA 0.192 nan 4.420 nan 0.000 0.261 24 P C 1.226 178.553 177.300 0.045 0.000 1.165 24 P CA 1.348 64.468 63.100 0.034 0.000 0.759 24 P CB 0.013 31.730 31.700 0.029 0.000 0.772 25 G N 2.140 110.952 108.800 0.020 0.000 2.194 25 G HA2 -0.277 3.683 3.960 0.000 0.000 0.236 25 G HA3 -0.277 3.683 3.960 0.000 0.000 0.236 25 G C 0.971 175.847 174.900 -0.040 0.000 0.987 25 G CA 0.386 45.499 45.100 0.022 0.000 0.635 25 G HN 0.634 nan 8.290 nan 0.000 0.520 26 S N -0.227 115.415 115.700 -0.097 0.000 2.535 26 S HA 0.353 4.823 4.470 0.000 0.000 0.214 26 S C 0.557 174.892 174.600 -0.441 0.000 0.980 26 S CA 0.432 58.382 58.200 -0.416 0.000 0.907 26 S CB 0.361 63.453 63.200 -0.179 0.000 0.790 26 S HN 0.499 nan 8.310 nan 0.000 0.510 27 E N 2.342 122.406 120.200 -0.227 0.000 2.465 27 E HA 0.009 4.359 4.350 0.000 0.000 0.260 27 E C -1.121 175.330 176.600 -0.248 0.000 0.980 27 E CA 0.438 56.738 56.400 -0.167 0.000 0.927 27 E CB 0.385 30.031 29.700 -0.090 0.000 0.934 27 E HN 0.308 nan 8.360 nan 0.000 0.459 28 D N 5.258 125.523 120.400 -0.226 0.000 2.408 28 D HA 0.171 4.811 4.640 0.000 0.000 0.261 28 D C -2.009 174.042 176.300 -0.415 0.000 1.190 28 D CA -2.036 51.823 54.000 -0.234 0.000 0.910 28 D CB 1.133 41.858 40.800 -0.125 0.000 1.097 28 D HN 0.134 nan 8.370 nan 0.000 0.522 29 P HA 0.095 nan 4.420 nan 0.000 0.249 29 P C -0.314 176.663 177.300 -0.538 0.000 1.229 29 P CA 0.099 62.416 63.100 -1.305 0.000 0.788 29 P CB 0.071 31.272 31.700 -0.832 0.000 1.072 30 N N 0.409 118.976 118.700 -0.221 0.000 2.455 30 N HA 0.083 4.823 4.740 0.000 0.000 0.258 30 N C 0.007 175.537 175.510 0.033 0.000 1.158 30 N CA -0.087 52.934 53.050 -0.047 0.000 0.893 30 N CB 0.166 38.657 38.487 0.008 0.000 1.173 30 N HN 0.184 nan 8.380 nan 0.000 0.503 31 T N -3.432 111.184 114.554 0.104 0.000 2.916 31 T HA 0.183 4.534 4.350 0.000 0.000 0.292 31 T C 0.855 175.645 174.700 0.150 0.000 1.055 31 T CA -0.934 61.247 62.100 0.135 0.000 1.009 31 T CB 1.671 70.677 68.868 0.230 0.000 1.118 31 T HN -0.006 nan 8.240 nan 0.000 0.497 32 D N 0.374 120.814 120.400 0.066 0.000 2.104 32 D HA -0.180 4.460 4.640 0.000 0.000 0.194 32 D C 1.454 177.799 176.300 0.075 0.000 0.994 32 D CA 1.292 55.285 54.000 -0.011 0.000 0.830 32 D CB -0.668 40.049 40.800 -0.139 0.000 0.959 32 D HN 0.728 nan 8.370 nan 0.000 0.452 33 W N -0.046 121.268 121.300 0.023 0.000 2.358 33 W HA -0.131 4.529 4.660 0.000 0.000 0.303 33 W C 2.456 179.148 176.519 0.288 0.000 1.208 33 W CA 1.048 58.391 57.345 -0.004 0.000 1.274 33 W CB -0.654 28.483 29.460 -0.538 0.000 1.138 33 W HN -0.004 nan 8.180 nan 0.000 0.515 34 Y N 1.326 121.917 120.300 0.484 0.000 2.097 34 Y HA -0.324 4.227 4.550 0.000 0.000 0.282 34 Y C 2.587 178.758 175.900 0.451 0.000 1.152 34 Y CA 2.577 61.023 58.100 0.575 0.000 1.136 34 Y CB -0.677 38.019 38.460 0.393 0.000 0.975 34 Y HN -0.144 nan 8.280 nan 0.000 0.498 35 K N -0.255 120.440 120.400 0.491 0.000 2.057 35 K HA -0.261 4.060 4.320 0.000 0.000 0.207 35 K C 2.305 179.049 176.600 0.240 0.000 1.049 35 K CA 1.683 58.154 56.287 0.306 0.000 0.931 35 K CB -0.830 31.781 32.500 0.185 0.000 0.714 35 K HN 0.629 nan 8.250 nan 0.000 0.440 36 W N 1.741 123.058 121.300 0.029 0.000 2.335 36 W HA -0.226 4.434 4.660 0.000 0.000 0.311 36 W C 1.634 178.161 176.519 0.014 0.000 1.213 36 W CA 2.246 59.542 57.345 -0.081 0.000 1.274 36 W CB -0.141 29.117 29.460 -0.337 0.000 1.148 36 W HN 0.087 nan 8.180 nan 0.000 0.498 37 V N -1.966 118.101 119.914 0.256 0.000 3.041 37 V HA -0.114 4.006 4.120 0.000 0.000 0.260 37 V C 1.408 177.446 176.094 -0.093 0.000 1.105 37 V CA 1.818 64.202 62.300 0.141 0.000 1.125 37 V CB -1.107 30.957 31.823 0.401 0.000 0.730 37 V HN 0.092 nan 8.190 nan 0.000 0.479 38 H N 0.190 119.215 119.070 -0.076 0.000 2.553 38 H HA 0.292 4.848 4.556 0.000 0.000 0.265 38 H C 0.559 175.829 175.328 -0.096 0.000 0.964 38 H CA 0.260 56.246 56.048 -0.103 0.000 1.156 38 H CB -0.024 29.666 29.762 -0.121 0.000 1.411 38 H HN 0.570 nan 8.280 nan 0.000 0.558 39 D N 0.869 121.235 120.400 -0.057 0.000 2.401 39 D HA -0.016 4.625 4.640 0.000 0.000 0.254 39 D C -1.498 174.722 176.300 -0.134 0.000 1.192 39 D CA -1.509 52.416 54.000 -0.125 0.000 0.885 39 D CB 1.269 41.906 40.800 -0.272 0.000 1.147 39 D HN 0.017 nan 8.370 nan 0.000 0.478 40 P HA -0.161 nan 4.420 nan 0.000 0.216 40 P C 0.694 177.934 177.300 -0.100 0.000 1.153 40 P CA 1.235 64.291 63.100 -0.074 0.000 0.858 40 P CB 0.187 31.859 31.700 -0.047 0.000 0.789 41 E N -1.057 119.069 120.200 -0.123 0.000 2.072 41 E HA -0.148 4.202 4.350 0.000 0.000 0.191 41 E C 1.865 178.362 176.600 -0.172 0.000 0.985 41 E CA 0.793 57.117 56.400 -0.126 0.000 0.801 41 E CB -0.439 29.189 29.700 -0.120 0.000 0.750 41 E HN 0.203 nan 8.360 nan 0.000 0.452 42 N N 0.477 119.011 118.700 -0.278 0.000 2.166 42 N HA -0.140 4.600 4.740 0.000 0.000 0.186 42 N C 1.732 177.119 175.510 -0.206 0.000 1.019 42 N CA 1.168 54.009 53.050 -0.350 0.000 0.856 42 N CB -0.106 37.979 38.487 -0.670 0.000 0.993 42 N HN 0.204 nan 8.380 nan 0.000 0.426 43 M N 0.151 119.652 119.600 -0.164 0.000 2.132 43 M HA -0.042 4.438 4.480 0.000 0.000 0.263 43 M C 2.176 178.435 176.300 -0.068 0.000 1.065 43 M CA 1.354 56.595 55.300 -0.098 0.000 1.122 43 M CB -0.220 32.330 32.600 -0.084 0.000 1.365 43 M HN 0.127 nan 8.290 nan 0.000 0.411 44 A N 0.252 123.031 122.820 -0.069 0.000 1.972 44 A HA -0.001 4.319 4.320 0.000 0.000 0.219 44 A C 2.261 179.821 177.584 -0.040 0.000 1.169 44 A CA 1.764 53.773 52.037 -0.047 0.000 0.635 44 A CB -0.776 18.196 19.000 -0.045 0.000 0.810 44 A HN 0.505 nan 8.150 nan 0.000 0.446 45 A N -1.770 121.019 122.820 -0.053 0.000 2.167 45 A HA 0.371 4.691 4.320 0.000 0.000 0.214 45 A C 1.944 179.519 177.584 -0.015 0.000 1.151 45 A CA 1.331 53.347 52.037 -0.035 0.000 0.735 45 A CB -0.959 18.012 19.000 -0.048 0.000 0.802 45 A HN 1.885 nan 8.150 nan 0.000 0.467 46 G N -1.104 107.685 108.800 -0.019 0.000 2.153 46 G HA2 -0.288 3.672 3.960 0.000 0.000 0.252 46 G HA3 -0.288 3.672 3.960 0.000 0.000 0.252 46 G C 0.774 175.695 174.900 0.034 0.000 0.994 46 G CA 0.567 45.671 45.100 0.007 0.000 0.698 46 G HN 0.441 nan 8.290 nan 0.000 0.521 47 L N -0.537 120.697 121.223 0.019 0.000 2.141 47 L HA 0.141 4.481 4.340 0.000 0.000 0.209 47 L C 1.732 178.683 176.870 0.135 0.000 1.094 47 L CA 1.579 56.468 54.840 0.083 0.000 0.763 47 L CB -0.280 41.806 42.059 0.045 0.000 0.908 47 L HN 0.502 nan 8.230 nan 0.000 0.437 48 V N -5.102 114.840 119.914 0.048 0.000 2.919 48 V HA 0.358 4.478 4.120 0.000 0.000 0.316 48 V C 1.057 177.179 176.094 0.047 0.000 1.077 48 V CA -0.242 62.115 62.300 0.094 0.000 0.977 48 V CB 1.600 33.459 31.823 0.060 0.000 1.039 48 V HN 0.135 nan 8.190 nan 0.000 0.441 49 S N 0.811 116.540 115.700 0.049 0.000 2.453 49 S HA 0.210 4.680 4.470 0.000 0.000 0.231 49 S C 1.696 176.294 174.600 -0.002 0.000 1.005 49 S CA 1.281 59.487 58.200 0.011 0.000 0.949 49 S CB -0.224 62.959 63.200 -0.027 0.000 0.774 49 S HN 2.727 nan 8.310 nan 0.000 0.510 50 G N 0.750 109.544 108.800 -0.009 0.000 2.213 50 G HA2 -0.196 3.764 3.960 0.000 0.000 0.236 50 G HA3 -0.196 3.764 3.960 0.000 0.000 0.236 50 G C -0.372 174.514 174.900 -0.023 0.000 0.991 50 G CA 0.070 45.152 45.100 -0.030 0.000 0.629 50 G HN 0.554 nan 8.290 nan 0.000 0.517 51 D N 0.629 121.039 120.400 0.015 0.000 2.362 51 D HA 0.584 5.224 4.640 0.000 0.000 0.242 51 D C 0.779 177.106 176.300 0.045 0.000 1.132 51 D CA 0.319 54.362 54.000 0.071 0.000 0.907 51 D CB 1.021 41.858 40.800 0.060 0.000 1.195 51 D HN 0.388 nan 8.370 nan 0.000 0.429 52 L N 2.621 123.828 121.223 -0.028 0.000 2.362 52 L HA 0.330 4.670 4.340 0.000 0.000 0.271 52 L C -1.523 175.062 176.870 -0.475 0.000 1.002 52 L CA -1.722 52.924 54.840 -0.323 0.000 0.818 52 L CB 2.583 44.434 42.059 -0.347 0.000 1.298 52 L HN 0.182 nan 8.230 nan 0.000 0.420 53 P HA -0.162 nan 4.420 nan 0.000 0.223 53 P C 0.792 177.880 177.300 -0.353 0.000 1.151 53 P CA 1.042 63.495 63.100 -1.079 0.000 0.787 53 P CB 0.186 30.980 31.700 -1.510 0.000 0.788 54 E N 0.773 120.886 120.200 -0.145 0.000 2.409 54 E HA -0.155 4.195 4.350 0.000 0.000 0.198 54 E C 0.404 177.010 176.600 0.010 0.000 1.024 54 E CA 0.788 57.187 56.400 -0.003 0.000 0.861 54 E CB -1.324 28.440 29.700 0.107 0.000 0.788 54 E HN 0.403 nan 8.360 nan 0.000 0.521 55 N N 0.960 119.672 118.700 0.021 0.000 2.320 55 N HA 0.165 4.905 4.740 0.000 0.000 0.237 55 N C 0.486 175.913 175.510 -0.138 0.000 1.129 55 N CA 0.010 53.045 53.050 -0.024 0.000 0.854 55 N CB 0.934 39.400 38.487 -0.034 0.000 1.083 55 N HN 0.198 nan 8.380 nan 0.000 0.504 56 G N 1.350 110.178 108.800 0.047 0.000 2.508 56 G HA2 0.102 4.062 3.960 0.000 0.000 0.278 56 G HA3 0.102 4.062 3.960 0.000 0.000 0.278 56 G C -1.373 173.700 174.900 0.287 0.000 1.389 56 G CA -0.705 44.497 45.100 0.169 0.000 1.050 56 G HN -0.043 nan 8.290 nan 0.000 0.522 57 P HA 0.072 nan 4.420 nan 0.000 0.236 57 P C 0.948 178.438 177.300 0.317 0.000 1.177 57 P CA 1.226 64.525 63.100 0.332 0.000 0.773 57 P CB 0.371 32.308 31.700 0.396 0.000 0.878 58 G N 0.144 109.097 108.800 0.255 0.000 2.212 58 G HA2 -0.330 3.630 3.960 0.000 0.000 0.255 58 G HA3 -0.330 3.630 3.960 0.000 0.000 0.255 58 G C 0.375 175.382 174.900 0.179 0.000 1.062 58 G CA 0.143 45.365 45.100 0.204 0.000 0.815 58 G HN 0.279 nan 8.290 nan 0.000 0.497 59 Y N -0.801 119.449 120.300 -0.083 0.000 2.274 59 Y HA -0.067 4.483 4.550 0.000 0.000 0.290 59 Y C 2.354 178.253 175.900 -0.003 0.000 1.145 59 Y CA 2.193 60.034 58.100 -0.431 0.000 1.203 59 Y CB -0.141 37.955 38.460 -0.606 0.000 0.984 59 Y HN 0.551 nan 8.280 nan 0.000 0.533 60 W N 0.656 121.910 121.300 -0.078 0.000 2.335 60 W HA -0.212 4.448 4.660 0.000 0.000 0.311 60 W C 2.080 178.658 176.519 0.099 0.000 1.213 60 W CA 1.989 59.291 57.345 -0.072 0.000 1.274 60 W CB -0.694 28.686 29.460 -0.135 0.000 1.148 60 W HN 0.257 nan 8.180 nan 0.000 0.498 61 G N -0.636 108.274 108.800 0.183 0.000 2.492 61 G HA2 -0.179 3.781 3.960 0.000 0.000 0.214 61 G HA3 -0.179 3.781 3.960 0.000 0.000 0.214 61 G C 1.021 175.859 174.900 -0.104 0.000 1.147 61 G CA 0.402 45.544 45.100 0.069 0.000 0.809 61 G HN 0.117 nan 8.290 nan 0.000 0.533 62 N N 0.210 118.854 118.700 -0.093 0.000 2.235 62 N HA 0.090 4.830 4.740 0.000 0.000 0.209 62 N C 1.454 176.835 175.510 -0.214 0.000 1.122 62 N CA -0.258 52.722 53.050 -0.117 0.000 0.845 62 N CB 0.061 38.618 38.487 0.117 0.000 1.004 62 N HN 0.599 nan 8.380 nan 0.000 0.499 63 Y N 0.946 120.963 120.300 -0.471 0.000 2.193 63 Y HA -0.126 4.424 4.550 0.000 0.000 0.285 63 Y C 1.857 177.423 175.900 -0.557 0.000 1.166 63 Y CA 1.136 58.758 58.100 -0.795 0.000 1.181 63 Y CB -0.549 37.146 38.460 -1.276 0.000 0.976 63 Y HN -0.142 nan 8.280 nan 0.000 0.520 64 K N 0.149 120.076 120.400 -0.789 0.000 2.063 64 K HA -0.130 4.191 4.320 0.000 0.000 0.208 64 K C 2.069 178.613 176.600 -0.094 0.000 1.048 64 K CA 1.996 58.070 56.287 -0.354 0.000 0.928 64 K CB -0.407 31.856 32.500 -0.395 0.000 0.713 64 K HN 0.418 nan 8.250 nan 0.000 0.442 65 T N 0.995 115.505 114.554 -0.074 0.000 2.708 65 T HA -0.124 4.226 4.350 0.000 0.000 0.266 65 T C 1.568 176.336 174.700 0.114 0.000 1.037 65 T CA 1.285 63.401 62.100 0.026 0.000 1.146 65 T CB -0.328 68.550 68.868 0.018 0.000 0.865 65 T HN 0.051 nan 8.240 nan 0.000 0.435 66 F N 1.412 121.328 119.950 -0.056 0.000 2.091 66 F HA -0.123 4.405 4.527 0.000 0.000 0.299 66 F C 2.417 178.249 175.800 0.053 0.000 1.103 66 F CA 1.273 59.267 58.000 -0.011 0.000 1.228 66 F CB -0.937 38.165 39.000 0.170 0.000 0.984 66 F HN 0.424 nan 8.300 nan 0.000 0.477 67 H N -1.370 117.897 119.070 0.328 0.000 2.389 67 H HA -0.147 4.410 4.556 0.000 0.000 0.299 67 H C 1.784 177.196 175.328 0.139 0.000 1.081 67 H CA 0.756 56.956 56.048 0.254 0.000 1.345 67 H CB -0.111 29.824 29.762 0.288 0.000 1.393 67 H HN 0.140 nan 8.280 nan 0.000 0.520 68 D N 0.387 120.917 120.400 0.216 0.000 2.104 68 D HA -0.151 4.489 4.640 0.000 0.000 0.194 68 D C 1.900 178.282 176.300 0.138 0.000 0.994 68 D CA 0.856 54.938 54.000 0.136 0.000 0.830 68 D CB -0.297 40.551 40.800 0.080 0.000 0.959 68 D HN 0.346 nan 8.370 nan 0.000 0.452 69 N N 0.453 119.221 118.700 0.113 0.000 2.106 69 N HA -0.099 4.641 4.740 0.000 0.000 0.188 69 N C 1.801 177.338 175.510 0.044 0.000 1.029 69 N CA 1.183 54.316 53.050 0.137 0.000 0.848 69 N CB -0.227 38.244 38.487 -0.026 0.000 1.007 69 N HN 0.103 nan 8.380 nan 0.000 0.423 70 A N 1.280 124.054 122.820 -0.077 0.000 1.908 70 A HA -0.237 4.083 4.320 0.000 0.000 0.218 70 A C 2.212 179.844 177.584 0.080 0.000 1.181 70 A CA 1.689 53.667 52.037 -0.098 0.000 0.627 70 A CB -0.801 18.084 19.000 -0.191 0.000 0.818 70 A HN 0.398 nan 8.150 nan 0.000 0.445 71 Q N -0.343 119.536 119.800 0.131 0.000 2.050 71 Q HA -0.202 4.138 4.340 0.000 0.000 0.202 71 Q C 1.993 178.071 176.000 0.131 0.000 0.980 71 Q CA 1.936 57.819 55.803 0.132 0.000 0.840 71 Q CB -0.139 28.674 28.738 0.126 0.000 0.898 71 Q HN 0.680 nan 8.270 nan 0.000 0.424 72 K N -0.161 120.339 120.400 0.168 0.000 2.152 72 K HA -0.139 4.181 4.320 0.000 0.000 0.206 72 K C 1.842 178.610 176.600 0.280 0.000 1.048 72 K CA 1.303 57.708 56.287 0.197 0.000 0.933 72 K CB -0.082 32.556 32.500 0.230 0.000 0.721 72 K HN 0.285 nan 8.250 nan 0.000 0.447 73 M N -0.467 119.310 119.600 0.296 0.000 2.619 73 M HA 0.011 4.491 4.480 0.000 0.000 0.251 73 M C 0.472 176.805 176.300 0.055 0.000 1.106 73 M CA 0.720 56.149 55.300 0.214 0.000 1.086 73 M CB 0.533 33.114 32.600 -0.032 0.000 1.465 73 M HN 0.394 nan 8.290 nan 0.000 0.506 74 G N 1.013 109.855 108.800 0.070 0.000 2.136 74 G HA2 -0.230 3.730 3.960 0.000 0.000 0.242 74 G HA3 -0.230 3.730 3.960 0.000 0.000 0.242 74 G C -0.052 174.875 174.900 0.043 0.000 0.989 74 G CA -0.145 44.980 45.100 0.042 0.000 0.682 74 G HN 0.423 nan 8.290 nan 0.000 0.522 75 L N -0.404 120.863 121.223 0.073 0.000 2.397 75 L HA 0.422 4.762 4.340 0.000 0.000 0.271 75 L C 1.238 178.214 176.870 0.176 0.000 1.148 75 L CA -0.233 54.694 54.840 0.146 0.000 0.825 75 L CB 0.767 42.984 42.059 0.264 0.000 1.117 75 L HN -0.071 nan 8.230 nan 0.000 0.456 76 K N 3.266 123.769 120.400 0.172 0.000 2.477 76 K HA 0.452 4.772 4.320 0.000 0.000 0.208 76 K C -0.417 176.248 176.600 0.109 0.000 1.117 76 K CA 0.110 56.473 56.287 0.126 0.000 1.039 76 K CB 1.398 33.953 32.500 0.092 0.000 0.937 76 K HN 0.515 nan 8.250 nan 0.000 0.570 77 I N 0.010 120.648 120.570 0.113 0.000 2.827 77 I HA 0.543 4.713 4.170 0.000 0.000 0.298 77 I C -1.976 174.089 176.117 -0.088 0.000 1.235 77 I CA -0.874 60.448 61.300 0.036 0.000 1.021 77 I CB 2.168 40.150 38.000 -0.030 0.000 1.259 77 I HN -0.030 nan 8.210 nan 0.000 0.427 78 A N 6.615 129.282 122.820 -0.256 0.000 2.486 78 A HA 0.797 5.118 4.320 0.000 0.000 0.300 78 A C -1.499 175.858 177.584 -0.377 0.000 1.048 78 A CA -0.687 50.962 52.037 -0.647 0.000 0.696 78 A CB 1.914 20.290 19.000 -1.040 0.000 1.278 78 A HN 0.683 nan 8.150 nan 0.000 0.405 79 R N 2.553 122.800 120.500 -0.422 0.000 2.513 79 R HA 0.763 5.103 4.340 0.000 0.000 0.301 79 R C -2.097 174.128 176.300 -0.125 0.000 0.968 79 R CA -0.329 55.657 56.100 -0.189 0.000 0.872 79 R CB 0.733 30.957 30.300 -0.126 0.000 1.177 79 R HN 0.708 nan 8.270 nan 0.000 0.444 80 L N 2.858 124.096 121.223 0.024 0.000 2.397 80 L HA 0.560 4.900 4.340 0.000 0.000 0.251 80 L C -0.470 176.506 176.870 0.177 0.000 1.064 80 L CA -1.186 53.728 54.840 0.123 0.000 0.859 80 L CB 2.109 44.295 42.059 0.211 0.000 1.468 80 L HN 0.714 nan 8.230 nan 0.000 0.411 81 N N -0.222 118.636 118.700 0.263 0.000 2.328 81 N HA 0.560 5.300 4.740 0.000 0.000 0.299 81 N C -0.918 174.796 175.510 0.340 0.000 1.179 81 N CA -0.645 52.576 53.050 0.286 0.000 0.793 81 N CB 2.375 41.067 38.487 0.342 0.000 1.366 81 N HN 0.415 nan 8.380 nan 0.000 0.493 82 V N -1.565 118.496 119.914 0.244 0.000 2.649 82 V HA 0.386 4.506 4.120 0.000 0.000 0.292 82 V C 0.285 176.659 176.094 0.466 0.000 1.055 82 V CA -0.617 61.737 62.300 0.090 0.000 1.023 82 V CB 0.826 32.600 31.823 -0.081 0.000 0.992 82 V HN 0.585 nan 8.190 nan 0.000 0.480 83 E N 3.713 124.263 120.200 0.583 0.000 2.105 83 E HA 0.051 4.401 4.350 0.000 0.000 0.285 83 E C 0.296 177.254 176.600 0.597 0.000 1.055 83 E CA -0.348 56.397 56.400 0.575 0.000 0.843 83 E CB 0.962 30.966 29.700 0.507 0.000 1.067 83 E HN 1.002 nan 8.360 nan 0.000 0.398 84 W N 4.305 125.736 121.300 0.219 0.000 2.277 84 W HA -0.350 4.310 4.660 0.000 0.000 0.327 84 W C 2.021 178.621 176.519 0.136 0.000 1.284 84 W CA 2.632 59.846 57.345 -0.218 0.000 1.277 84 W CB -0.854 28.305 29.460 -0.502 0.000 1.141 84 W HN 0.537 nan 8.180 nan 0.000 0.482 85 S N 0.165 116.069 115.700 0.339 0.000 2.402 85 S HA -0.249 4.221 4.470 0.000 0.000 0.233 85 S C 1.963 176.726 174.600 0.271 0.000 1.030 85 S CA 1.612 59.947 58.200 0.225 0.000 1.003 85 S CB -0.728 62.567 63.200 0.159 0.000 0.813 85 S HN 0.438 nan 8.310 nan 0.000 0.477 86 R N 0.318 121.011 120.500 0.322 0.000 2.090 86 R HA 0.133 4.473 4.340 0.000 0.000 0.228 86 R C 2.151 178.631 176.300 0.300 0.000 1.110 86 R CA 1.407 57.667 56.100 0.267 0.000 0.973 86 R CB -0.320 30.174 30.300 0.324 0.000 0.869 86 R HN 0.433 nan 8.270 nan 0.000 0.440 87 I N -0.496 120.320 120.570 0.409 0.000 2.480 87 I HA -0.074 4.096 4.170 0.000 0.000 0.251 87 I C 0.467 176.463 176.117 -0.201 0.000 1.124 87 I CA 1.202 62.628 61.300 0.210 0.000 1.444 87 I CB -0.266 38.010 38.000 0.459 0.000 1.098 87 I HN -0.041 nan 8.210 nan 0.000 0.428 88 F N 2.510 122.724 119.950 0.440 0.000 2.531 88 F HA 0.355 4.882 4.527 0.000 0.000 0.333 88 F C -1.640 174.379 175.800 0.365 0.000 1.292 88 F CA -1.754 56.472 58.000 0.377 0.000 1.184 88 F CB 0.483 39.784 39.000 0.503 0.000 1.426 88 F HN -0.119 nan 8.300 nan 0.000 0.559 89 P HA -0.043 nan 4.420 nan 0.000 0.229 89 P C -0.504 176.923 177.300 0.212 0.000 1.160 89 P CA 0.807 64.064 63.100 0.262 0.000 0.777 89 P CB 0.315 32.096 31.700 0.136 0.000 0.814 90 N N 1.059 119.783 118.700 0.040 0.000 2.417 90 N HA 0.323 5.063 4.740 0.000 0.000 0.300 90 N C -2.691 172.287 175.510 -0.887 0.000 1.102 90 N CA -2.170 50.751 53.050 -0.215 0.000 0.886 90 N CB 0.674 39.122 38.487 -0.065 0.000 1.203 90 N HN -0.014 nan 8.380 nan 0.000 0.496 91 P HA -0.009 nan 4.420 nan 0.000 0.266 91 P C -0.889 175.730 177.300 -1.136 0.000 1.195 91 P CA -0.120 62.065 63.100 -1.524 0.000 0.768 91 P CB 0.620 31.992 31.700 -0.545 0.000 0.838 92 L N 5.480 125.889 121.223 -1.356 0.000 2.379 92 L HA 0.455 4.795 4.340 0.000 0.000 0.269 92 L C -1.720 174.821 176.870 -0.548 0.000 1.084 92 L CA -2.075 52.203 54.840 -0.937 0.000 0.802 92 L CB -0.246 41.402 42.059 -0.685 0.000 1.175 92 L HN 0.331 nan 8.230 nan 0.000 0.448 93 P HA 0.170 nan 4.420 nan 0.000 0.268 93 P C -0.484 176.746 177.300 -0.118 0.000 1.204 93 P CA -0.366 62.620 63.100 -0.189 0.000 0.768 93 P CB 0.211 31.859 31.700 -0.087 0.000 0.842 94 R N 4.401 124.864 120.500 -0.063 0.000 2.585 94 R HA 0.204 4.544 4.340 0.000 0.000 0.275 94 R C -1.391 174.881 176.300 -0.045 0.000 1.018 94 R CA -0.682 55.395 56.100 -0.037 0.000 1.072 94 R CB -1.948 nan 30.300 nan 0.000 0.953 94 R HN 0.568 nan 8.270 nan 0.000 0.419 99 D N 4.905 124.882 120.400 -0.705 0.000 2.373 99 D HA 0.249 4.889 4.640 0.000 0.000 0.227 99 D C 0.669 176.542 176.300 -0.712 0.000 1.091 99 D CA 0.029 53.720 54.000 -0.515 0.000 0.840 99 D CB 1.271 41.893 40.800 -0.297 0.000 1.060 99 D HN 0.720 nan 8.370 nan 0.000 0.502 100 E N 1.360 121.305 120.200 -0.424 0.000 2.338 100 E HA -0.117 4.233 4.350 0.000 0.000 0.197 100 E C 1.385 177.898 176.600 -0.145 0.000 1.007 100 E CA 0.638 56.900 56.400 -0.229 0.000 0.849 100 E CB 0.285 29.997 29.700 0.019 0.000 0.774 100 E HN 0.563 nan 8.360 nan 0.000 0.506 101 S N -0.102 115.510 115.700 -0.147 0.000 2.527 101 S HA -0.005 4.465 4.470 0.000 0.000 0.222 101 S C 1.041 175.583 174.600 -0.096 0.000 0.985 101 S CA -0.170 57.974 58.200 -0.094 0.000 0.921 101 S CB 0.206 63.360 63.200 -0.076 0.000 0.772 101 S HN -0.153 nan 8.310 nan 0.000 0.529 102 K N 2.032 122.344 120.400 -0.147 0.000 2.416 102 K HA 0.171 4.491 4.320 0.000 0.000 0.283 102 K C 1.245 177.819 176.600 -0.044 0.000 1.037 102 K CA -0.012 56.209 56.287 -0.110 0.000 0.995 102 K CB 0.679 33.080 32.500 -0.165 0.000 0.938 102 K HN 0.633 nan 8.250 nan 0.000 0.475 103 Q N 1.632 121.433 119.800 0.002 0.000 2.046 103 Q HA -0.128 4.213 4.340 0.000 0.000 0.200 103 Q C -0.285 175.827 176.000 0.186 0.000 0.975 103 Q CA 1.608 57.454 55.803 0.072 0.000 0.836 103 Q CB 0.200 28.952 28.738 0.024 0.000 0.896 103 Q HN 0.685 nan 8.270 nan 0.000 0.428 104 D N -0.247 120.239 120.400 0.142 0.000 2.175 104 D HA 0.255 4.895 4.640 0.000 0.000 0.248 104 D C -1.158 175.202 176.300 0.100 0.000 1.047 104 D CA -0.235 53.857 54.000 0.153 0.000 0.883 104 D CB 2.001 42.876 40.800 0.126 0.000 1.180 104 D HN -0.134 nan 8.370 nan 0.000 0.438 105 V N 2.178 122.155 119.914 0.104 0.000 2.305 105 V HA 0.161 4.281 4.120 0.000 0.000 0.275 105 V C 1.249 177.394 176.094 0.085 0.000 1.020 105 V CA -0.442 61.942 62.300 0.140 0.000 0.811 105 V CB 0.946 32.906 31.823 0.228 0.000 1.031 105 V HN 0.765 nan 8.190 nan 0.000 0.439 106 T N 0.135 114.732 114.554 0.072 0.000 3.051 106 T HA 0.218 4.568 4.350 0.000 0.000 0.255 106 T C 0.424 175.148 174.700 0.041 0.000 1.085 106 T CA 0.292 62.415 62.100 0.038 0.000 1.109 106 T CB 0.633 69.519 68.868 0.029 0.000 0.921 106 T HN 0.576 nan 8.240 nan 0.000 0.488 107 E N -0.005 120.239 120.200 0.074 0.000 2.335 107 E HA 0.537 4.887 4.350 0.000 0.000 0.280 107 E C -2.178 174.488 176.600 0.111 0.000 0.918 107 E CA -0.798 55.642 56.400 0.066 0.000 0.765 107 E CB 2.649 32.381 29.700 0.054 0.000 1.218 107 E HN 0.024 nan 8.360 nan 0.000 0.425 108 V N 2.308 122.262 119.914 0.066 0.000 2.409 108 V HA 0.422 4.542 4.120 0.000 0.000 0.290 108 V C -0.074 176.021 176.094 0.002 0.000 1.017 108 V CA -0.405 61.934 62.300 0.066 0.000 0.841 108 V CB 1.016 32.814 31.823 -0.041 0.000 1.003 108 V HN 0.814 nan 8.190 nan 0.000 0.426 109 E N 5.047 125.273 120.200 0.043 0.000 2.299 109 E HA 0.571 4.922 4.350 0.000 0.000 0.272 109 E C -0.750 175.821 176.600 -0.048 0.000 1.043 109 E CA 0.056 56.458 56.400 0.004 0.000 0.895 109 E CB 0.989 nan 29.700 nan 0.000 1.011 109 E HN 0.658 nan 8.360 nan 0.000 0.432 110 I N 3.043 123.562 120.570 -0.086 0.000 2.436 110 I HA 0.454 4.624 4.170 0.000 0.000 0.289 110 I C -0.350 175.689 176.117 -0.130 0.000 1.010 110 I CA -0.478 60.742 61.300 -0.133 0.000 1.098 110 I CB 2.085 39.981 38.000 -0.174 0.000 1.266 110 I HN 0.832 nan 8.210 nan 0.000 0.434 111 N N 3.045 121.657 118.700 -0.147 0.000 2.853 111 N HA 0.293 5.033 4.740 0.000 0.000 0.258 111 N C 0.216 175.594 175.510 -0.219 0.000 1.444 111 N CA -0.905 52.054 53.050 -0.151 0.000 0.837 111 N CB 0.593 39.026 38.487 -0.090 0.000 1.489 111 N HN 0.402 nan 8.380 nan 0.000 0.529 112 E N -0.445 119.636 120.200 -0.197 0.000 2.097 112 E HA -0.252 4.098 4.350 0.000 0.000 0.196 112 E C 0.508 176.991 176.600 -0.196 0.000 1.000 112 E CA 1.570 57.830 56.400 -0.233 0.000 0.804 112 E CB -0.145 29.504 29.700 -0.084 0.000 0.740 112 E HN 0.464 nan 8.360 nan 0.000 0.454 113 N N 0.650 119.288 118.700 -0.104 0.000 2.120 113 N HA -0.168 4.572 4.740 0.000 0.000 0.188 113 N C 1.689 177.160 175.510 -0.066 0.000 1.024 113 N CA 0.771 53.788 53.050 -0.055 0.000 0.852 113 N CB -0.357 38.117 38.487 -0.022 0.000 1.003 113 N HN 0.283 nan 8.380 nan 0.000 0.424 114 E N 0.772 120.915 120.200 -0.094 0.000 2.110 114 E HA -0.111 4.239 4.350 0.000 0.000 0.193 114 E C 1.920 178.455 176.600 -0.109 0.000 0.988 114 E CA 0.644 56.996 56.400 -0.080 0.000 0.804 114 E CB 0.005 29.652 29.700 -0.089 0.000 0.745 114 E HN 0.301 nan 8.360 nan 0.000 0.458 115 L N 0.325 121.390 121.223 -0.262 0.000 2.093 115 L HA -0.152 4.188 4.340 0.000 0.000 0.208 115 L C 2.555 179.308 176.870 -0.194 0.000 1.085 115 L CA 1.080 55.682 54.840 -0.396 0.000 0.755 115 L CB -0.211 41.153 42.059 -1.158 0.000 0.904 115 L HN 0.001 nan 8.230 nan 0.000 0.435 116 K N -0.280 120.041 120.400 -0.132 0.000 2.148 116 K HA -0.118 4.202 4.320 0.000 0.000 0.204 116 K C 2.263 178.964 176.600 0.167 0.000 1.050 116 K CA 0.987 57.361 56.287 0.145 0.000 0.942 116 K CB -0.036 32.543 32.500 0.132 0.000 0.724 116 K HN 0.235 nan 8.250 nan 0.000 0.446 117 R N 0.578 121.143 120.500 0.109 0.000 2.075 117 R HA -0.027 4.313 4.340 0.000 0.000 0.232 117 R C 2.310 178.758 176.300 0.246 0.000 1.126 117 R CA 0.913 57.101 56.100 0.147 0.000 0.963 117 R CB -0.268 30.101 30.300 0.116 0.000 0.858 117 R HN 0.185 nan 8.270 nan 0.000 0.435 118 L N 0.628 121.980 121.223 0.216 0.000 2.083 118 L HA -0.197 4.143 4.340 0.000 0.000 0.209 118 L C 1.865 178.957 176.870 0.370 0.000 1.083 118 L CA 1.250 56.239 54.840 0.249 0.000 0.752 118 L CB -0.406 41.688 42.059 0.058 0.000 0.899 118 L HN 0.156 nan 8.230 nan 0.000 0.433 119 D N 0.364 121.031 120.400 0.446 0.000 2.239 119 D HA -0.241 4.400 4.640 0.000 0.000 0.202 119 D C 2.099 178.575 176.300 0.294 0.000 0.993 119 D CA 1.586 55.895 54.000 0.516 0.000 0.874 119 D CB 0.298 41.436 40.800 0.564 0.000 0.922 119 D HN 0.439 nan 8.370 nan 0.000 0.464 120 E N -1.205 119.120 120.200 0.208 0.000 2.371 120 E HA -0.055 4.295 4.350 0.000 0.000 0.194 120 E C 1.432 177.987 176.600 -0.075 0.000 1.012 120 E CA 0.466 56.882 56.400 0.027 0.000 0.860 120 E CB -0.862 nan 29.700 nan 0.000 0.811 120 E HN 0.534 nan 8.360 nan 0.000 0.502 121 Y N -0.123 120.264 120.300 0.145 0.000 2.500 121 Y HA 0.515 5.065 4.550 0.000 0.000 0.270 121 Y C 1.646 177.586 175.900 0.067 0.000 1.134 121 Y CA -0.011 58.177 58.100 0.146 0.000 1.293 121 Y CB 0.491 39.089 38.460 0.230 0.000 1.063 121 Y HN 0.332 nan 8.280 nan 0.000 0.534 122 A N 1.025 123.890 122.820 0.075 0.000 2.388 122 A HA 0.095 4.415 4.320 0.000 0.000 0.257 122 A C 0.236 177.763 177.584 -0.096 0.000 1.095 122 A CA -0.485 51.352 52.037 -0.333 0.000 0.791 122 A CB 0.017 18.863 19.000 -0.256 0.000 1.029 122 A HN 0.318 nan 8.150 nan 0.000 0.489 123 N N 1.678 120.320 118.700 -0.096 0.000 2.405 123 N HA 0.023 4.763 4.740 0.000 0.000 0.260 123 N C 0.569 176.131 175.510 0.087 0.000 1.152 123 N CA -0.222 52.847 53.050 0.031 0.000 0.948 123 N CB 0.694 39.220 38.487 0.066 0.000 1.111 123 N HN 0.503 nan 8.380 nan 0.000 0.485 124 K N 2.641 123.090 120.400 0.082 0.000 2.155 124 K HA -0.070 4.250 4.320 0.000 0.000 0.203 124 K C 0.692 177.360 176.600 0.112 0.000 1.052 124 K CA 0.854 57.197 56.287 0.094 0.000 0.948 124 K CB 0.140 32.679 32.500 0.064 0.000 0.728 124 K HN 0.571 nan 8.250 nan 0.000 0.448 125 D N 0.945 121.412 120.400 0.112 0.000 2.117 125 D HA -0.108 4.532 4.640 0.000 0.000 0.197 125 D C 1.813 178.235 176.300 0.204 0.000 0.987 125 D CA 1.357 55.436 54.000 0.131 0.000 0.829 125 D CB -0.051 40.818 40.800 0.114 0.000 0.961 125 D HN 0.122 nan 8.370 nan 0.000 0.460 126 A N 0.697 123.666 122.820 0.248 0.000 1.858 126 A HA -0.134 4.186 4.320 0.000 0.000 0.216 126 A C 2.432 180.285 177.584 0.449 0.000 1.190 126 A CA 1.002 53.269 52.037 0.382 0.000 0.617 126 A CB -0.903 18.313 19.000 0.361 0.000 0.827 126 A HN 0.202 nan 8.150 nan 0.000 0.443 127 L N -0.412 121.050 121.223 0.397 0.000 2.042 127 L HA -0.242 4.098 4.340 0.000 0.000 0.210 127 L C 2.562 179.614 176.870 0.302 0.000 1.076 127 L CA 1.801 56.899 54.840 0.430 0.000 0.749 127 L CB -0.551 41.663 42.059 0.260 0.000 0.893 127 L HN 0.560 nan 8.230 nan 0.000 0.432 128 N N -0.685 118.112 118.700 0.163 0.000 2.142 128 N HA -0.246 4.494 4.740 0.000 0.000 0.186 128 N C 1.895 177.394 175.510 -0.019 0.000 1.023 128 N CA 1.450 54.537 53.050 0.063 0.000 0.852 128 N CB -0.070 38.439 38.487 0.036 0.000 0.998 128 N HN 0.327 nan 8.380 nan 0.000 0.424 129 H N -1.321 117.665 119.070 -0.140 0.000 2.293 129 H HA -0.101 4.455 4.556 0.000 0.000 0.300 129 H C 1.367 176.312 175.328 -0.638 0.000 1.082 129 H CA 2.087 57.862 56.048 -0.456 0.000 1.308 129 H CB -0.286 29.071 29.762 -0.674 0.000 1.375 129 H HN 0.258 nan 8.280 nan 0.000 0.495 130 Y N 0.507 120.607 120.300 -0.334 0.000 2.165 130 Y HA -0.237 4.313 4.550 0.000 0.000 0.286 130 Y C 2.902 178.305 175.900 -0.827 0.000 1.155 130 Y CA 1.785 59.456 58.100 -0.716 0.000 1.164 130 Y CB -0.463 37.723 38.460 -0.456 0.000 0.978 130 Y HN 0.197 nan 8.280 nan 0.000 0.513 131 R N 0.582 121.077 120.500 -0.008 0.000 2.091 131 R HA -0.194 4.147 4.340 0.000 0.000 0.238 131 R C 1.937 178.153 176.300 -0.139 0.000 1.136 131 R CA 1.979 58.145 56.100 0.110 0.000 0.959 131 R CB -0.191 30.203 30.300 0.157 0.000 0.856 131 R HN 0.405 nan 8.270 nan 0.000 0.437 132 E N 0.140 120.149 120.200 -0.317 0.000 2.072 132 E HA -0.167 4.183 4.350 0.000 0.000 0.191 132 E C 2.013 178.299 176.600 -0.524 0.000 0.985 132 E CA 1.523 57.702 56.400 -0.368 0.000 0.801 132 E CB -0.071 29.361 29.700 -0.445 0.000 0.750 132 E HN 0.411 nan 8.360 nan 0.000 0.452 133 I N 0.436 120.451 120.570 -0.925 0.000 2.142 133 I HA -0.251 3.919 4.170 0.000 0.000 0.240 133 I C 1.916 177.905 176.117 -0.213 0.000 1.078 133 I CA 0.968 61.680 61.300 -0.981 0.000 1.343 133 I CB -0.250 37.114 38.000 -1.061 0.000 1.046 133 I HN 0.074 nan 8.210 nan 0.000 0.405 134 F N 1.299 121.093 119.950 -0.260 0.000 2.234 134 F HA -0.118 4.409 4.527 0.000 0.000 0.299 134 F C 2.428 178.089 175.800 -0.232 0.000 1.087 134 F CA 0.916 58.715 58.000 -0.336 0.000 1.340 134 F CB -1.148 37.696 39.000 -0.260 0.000 1.031 134 F HN -0.010 nan 8.300 nan 0.000 0.500 135 K N 0.143 120.571 120.400 0.046 0.000 2.057 135 K HA -0.202 4.119 4.320 0.000 0.000 0.206 135 K C 1.778 178.391 176.600 0.020 0.000 1.050 135 K CA 1.716 58.020 56.287 0.029 0.000 0.935 135 K CB -0.402 32.109 32.500 0.018 0.000 0.715 135 K HN 0.169 nan 8.250 nan 0.000 0.439 136 D N 0.763 121.197 120.400 0.057 0.000 2.144 136 D HA -0.167 4.473 4.640 0.000 0.000 0.199 136 D C 1.894 178.241 176.300 0.077 0.000 0.984 136 D CA 0.610 54.703 54.000 0.154 0.000 0.834 136 D CB 0.098 41.118 40.800 0.368 0.000 0.955 136 D HN 0.023 nan 8.370 nan 0.000 0.465 137 L N 0.413 121.576 121.223 -0.099 0.000 1.989 137 L HA -0.182 4.158 4.340 0.000 0.000 0.211 137 L C 1.988 178.730 176.870 -0.212 0.000 1.071 137 L CA 1.544 56.135 54.840 -0.415 0.000 0.749 137 L CB -0.278 41.462 42.059 -0.530 0.000 0.890 137 L HN -0.095 nan 8.230 nan 0.000 0.431 138 K N -0.185 120.124 120.400 -0.151 0.000 2.147 138 K HA -0.094 4.227 4.320 0.000 0.000 0.205 138 K C 2.308 178.896 176.600 -0.021 0.000 1.049 138 K CA 1.402 57.643 56.287 -0.076 0.000 0.936 138 K CB -0.813 31.662 32.500 -0.042 0.000 0.722 138 K HN 0.613 nan 8.250 nan 0.000 0.446 139 S N 1.072 116.770 115.700 -0.004 0.000 2.474 139 S HA -0.069 4.401 4.470 0.000 0.000 0.235 139 S C 1.413 176.034 174.600 0.034 0.000 0.997 139 S CA 0.360 58.574 58.200 0.023 0.000 0.949 139 S CB -0.023 63.199 63.200 0.037 0.000 0.766 139 S HN 0.147 nan 8.310 nan 0.000 0.517 140 R N 1.016 121.535 120.500 0.031 0.000 2.334 140 R HA 0.308 4.648 4.340 0.000 0.000 0.220 140 R C 1.541 177.876 176.300 0.058 0.000 0.917 140 R CA 0.457 56.591 56.100 0.057 0.000 1.073 140 R CB -1.385 28.966 30.300 0.086 0.000 1.056 140 R HN 0.615 nan 8.270 nan 0.000 0.506 141 G N 1.479 110.304 108.800 0.043 0.000 2.147 141 G HA2 -0.268 3.692 3.960 0.000 0.000 0.244 141 G HA3 -0.268 3.692 3.960 0.000 0.000 0.244 141 G C -0.105 174.836 174.900 0.069 0.000 1.005 141 G CA -0.099 45.034 45.100 0.055 0.000 0.713 141 G HN 0.269 nan 8.290 nan 0.000 0.515 142 L N 0.288 121.538 121.223 0.045 0.000 2.281 142 L HA 0.438 4.778 4.340 0.000 0.000 0.285 142 L C 0.898 177.804 176.870 0.059 0.000 1.074 142 L CA -1.272 53.600 54.840 0.052 0.000 0.817 142 L CB 0.608 42.669 42.059 0.003 0.000 1.168 142 L HN 0.220 nan 8.230 nan 0.000 0.434 143 Y N 4.040 124.313 120.300 -0.044 0.000 2.610 143 Y HA 0.055 4.606 4.550 0.000 0.000 0.332 143 Y C -0.456 175.412 175.900 -0.054 0.000 1.201 143 Y CA 0.260 58.326 58.100 -0.057 0.000 1.465 143 Y CB 0.430 38.839 38.460 -0.085 0.000 1.283 143 Y HN 0.364 nan 8.280 nan 0.000 0.563 144 F N 7.922 127.569 119.950 -0.504 0.000 2.445 144 F HA 0.460 4.987 4.527 0.000 0.000 0.348 144 F C -1.215 174.253 175.800 -0.553 0.000 1.125 144 F CA -2.082 55.629 58.000 -0.481 0.000 0.983 144 F CB 0.276 39.002 39.000 -0.456 0.000 1.198 144 F HN 0.321 nan 8.300 nan 0.000 0.436 145 I N 7.358 127.666 120.570 -0.437 0.000 2.297 145 I HA 0.184 4.354 4.170 0.000 0.000 0.291 145 I C -0.851 174.825 176.117 -0.736 0.000 1.033 145 I CA -0.896 60.067 61.300 -0.561 0.000 1.253 145 I CB 1.291 39.075 38.000 -0.361 0.000 1.396 145 I HN 0.365 nan 8.210 nan 0.000 0.476 146 L N 7.828 128.451 121.223 -1.001 0.000 2.264 146 L HA 0.402 4.742 4.340 0.000 0.000 0.289 146 L C -0.231 176.518 176.870 -0.202 0.000 1.044 146 L CA 0.012 54.363 54.840 -0.814 0.000 0.807 146 L CB 0.881 42.304 42.059 -1.060 0.000 1.192 146 L HN 0.486 nan 8.230 nan 0.000 0.425 147 N N 4.384 123.067 118.700 -0.027 0.000 2.479 147 N HA 0.263 5.003 4.740 0.000 0.000 0.285 147 N C 0.599 176.254 175.510 0.241 0.000 1.075 147 N CA -0.402 52.741 53.050 0.155 0.000 0.967 147 N CB 1.005 39.611 38.487 0.197 0.000 1.137 147 N HN 0.569 nan 8.380 nan 0.000 0.472 148 M N 1.525 121.330 119.600 0.341 0.000 2.388 148 M HA 0.067 4.547 4.480 0.000 0.000 0.265 148 M C -0.444 176.321 176.300 0.773 0.000 1.088 148 M CA 0.772 56.361 55.300 0.482 0.000 1.134 148 M CB -0.789 32.045 32.600 0.389 0.000 1.384 148 M HN 0.597 nan 8.290 nan 0.000 0.447 149 Y N -0.399 120.214 120.300 0.522 0.000 2.401 149 Y HA 0.328 4.878 4.550 0.000 0.000 0.330 149 Y C -0.845 175.307 175.900 0.419 0.000 1.071 149 Y CA -1.298 57.110 58.100 0.514 0.000 1.049 149 Y CB 0.824 39.548 38.460 0.440 0.000 1.239 149 Y HN 0.236 nan 8.280 nan 0.000 0.437 150 H N 6.548 125.465 119.070 -0.255 0.000 2.779 150 H HA 0.253 4.810 4.556 0.000 0.000 0.230 150 H C -0.756 174.306 175.328 -0.442 0.000 1.365 150 H CA -0.166 55.641 56.048 -0.403 0.000 1.086 150 H CB 0.118 29.782 29.762 -0.163 0.000 2.038 150 H HN 0.787 nan 8.280 nan 0.000 0.558 151 W N -3.060 117.715 121.300 -0.876 0.000 0.243 151 W HA -0.188 4.473 4.660 0.000 0.000 0.214 151 W C -2.374 174.214 176.519 0.115 0.000 0.913 151 W CA 0.292 57.370 57.345 -0.446 0.000 0.324 151 W CB -2.610 26.579 29.460 -0.451 0.000 1.905 151 W HN 0.333 nan 8.180 nan 0.000 1.026 152 P HA 0.298 nan 4.420 nan 0.000 0.271 152 P C 0.157 177.728 177.300 0.451 0.000 1.216 152 P CA 0.645 64.004 63.100 0.432 0.000 0.771 152 P CB 0.362 32.194 31.700 0.220 0.000 0.864 153 L N 5.725 127.114 121.223 0.277 0.000 2.334 153 L HA 0.503 4.843 4.340 0.000 0.000 0.272 153 L C -2.190 174.544 176.870 -0.227 0.000 1.020 153 L CA -2.812 52.011 54.840 -0.028 0.000 0.812 153 L CB 1.613 43.544 42.059 -0.214 0.000 1.264 153 L HN 0.149 nan 8.230 nan 0.000 0.439 154 P HA -0.007 nan 4.420 nan 0.000 0.265 154 P C 0.744 177.755 177.300 -0.482 0.000 1.187 154 P CA 0.148 62.915 63.100 -0.554 0.000 0.766 154 P CB 0.567 31.614 31.700 -1.089 0.000 0.820 155 L N 2.709 123.816 121.223 -0.193 0.000 2.191 155 L HA -0.128 4.213 4.340 0.000 0.000 0.212 155 L C 1.995 178.809 176.870 -0.094 0.000 1.103 155 L CA 1.142 55.919 54.840 -0.104 0.000 0.769 155 L CB -0.567 41.492 42.059 -0.001 0.000 0.908 155 L HN 0.648 nan 8.230 nan 0.000 0.438 156 W N -0.989 120.235 121.300 -0.126 0.000 2.699 156 W HA -0.041 4.620 4.660 0.000 0.000 0.249 156 W C 1.243 177.671 176.519 -0.151 0.000 1.280 156 W CA 0.218 57.491 57.345 -0.119 0.000 1.345 156 W CB -0.551 28.844 29.460 -0.108 0.000 1.128 156 W HN 0.169 nan 8.180 nan 0.000 0.642 157 L N -0.398 120.389 121.223 -0.727 0.000 2.556 157 L HA 0.246 4.586 4.340 0.000 0.000 0.226 157 L C 0.381 177.059 176.870 -0.321 0.000 1.089 157 L CA 0.584 55.015 54.840 -0.682 0.000 0.864 157 L CB -0.153 41.195 42.059 -1.184 0.000 1.067 157 L HN -0.008 nan 8.230 nan 0.000 0.477 158 H N -0.200 118.656 119.070 -0.357 0.000 3.240 158 H HA 0.106 4.662 4.556 0.000 0.000 0.329 158 H C -1.625 173.618 175.328 -0.141 0.000 1.024 158 H CA -0.653 55.257 56.048 -0.230 0.000 1.487 158 H CB 1.667 31.271 29.762 -0.263 0.000 1.909 158 H HN -0.143 nan 8.280 nan 0.000 0.465 159 D N 7.493 127.783 120.400 -0.184 0.000 2.443 159 D HA 0.143 4.783 4.640 0.000 0.000 0.221 159 D C -1.733 174.339 176.300 -0.381 0.000 1.097 159 D CA -2.486 51.376 54.000 -0.229 0.000 0.865 159 D CB 1.899 42.643 40.800 -0.094 0.000 1.034 159 D HN 0.338 nan 8.370 nan 0.000 0.511 160 P HA -0.055 nan 4.420 nan 0.000 0.222 160 P C 1.562 178.845 177.300 -0.030 0.000 1.153 160 P CA 0.209 63.020 63.100 -0.482 0.000 0.798 160 P CB 0.662 32.089 31.700 -0.456 0.000 0.796 161 I N 0.256 120.834 120.570 0.012 0.000 2.286 161 I HA -0.088 4.082 4.170 0.000 0.000 0.245 161 I C 2.679 178.780 176.117 -0.027 0.000 1.104 161 I CA 1.007 62.328 61.300 0.035 0.000 1.397 161 I CB -1.381 36.610 38.000 -0.016 0.000 1.072 161 I HN -0.036 nan 8.210 nan 0.000 0.417 162 R N 0.504 120.960 120.500 -0.074 0.000 2.096 162 R HA -0.151 4.189 4.340 0.000 0.000 0.240 162 R C 2.419 178.595 176.300 -0.207 0.000 1.139 162 R CA 1.548 57.579 56.100 -0.115 0.000 0.952 162 R CB -0.354 29.880 30.300 -0.111 0.000 0.854 162 R HN 0.185 nan 8.270 nan 0.000 0.436 163 V N 0.700 120.481 119.914 -0.221 0.000 2.295 163 V HA -0.265 3.856 4.120 0.000 0.000 0.246 163 V C 2.456 178.425 176.094 -0.209 0.000 1.049 163 V CA 1.807 63.878 62.300 -0.381 0.000 1.024 163 V CB -0.613 31.139 31.823 -0.118 0.000 0.648 163 V HN 0.357 nan 8.190 nan 0.000 0.447 164 R N 0.256 120.778 120.500 0.037 0.000 2.103 164 R HA -0.205 4.135 4.340 0.000 0.000 0.242 164 R C 2.359 178.753 176.300 0.157 0.000 1.142 164 R CA 1.846 58.063 56.100 0.195 0.000 0.960 164 R CB -0.193 30.263 30.300 0.260 0.000 0.858 164 R HN 0.427 nan 8.270 nan 0.000 0.439 165 R N -1.128 119.388 120.500 0.027 0.000 2.339 165 R HA 0.016 4.356 4.340 0.000 0.000 0.199 165 R C 0.969 177.269 176.300 -0.001 0.000 1.018 165 R CA 0.606 56.713 56.100 0.012 0.000 1.036 165 R CB 0.252 30.533 30.300 -0.032 0.000 0.899 165 R HN 0.573 nan 8.270 nan 0.000 0.473 166 G N 1.449 110.183 108.800 -0.110 0.000 2.132 166 G HA2 -0.249 3.711 3.960 0.000 0.000 0.234 166 G HA3 -0.249 3.711 3.960 0.000 0.000 0.234 166 G C -0.626 174.047 174.900 -0.378 0.000 0.989 166 G CA 0.103 45.109 45.100 -0.158 0.000 0.676 166 G HN 0.386 nan 8.290 nan 0.000 0.522 167 D N -0.334 119.751 120.400 -0.526 0.000 2.373 167 D HA 0.578 5.218 4.640 0.000 0.000 0.227 167 D C 0.539 176.512 176.300 -0.544 0.000 1.091 167 D CA -0.969 52.824 54.000 -0.346 0.000 0.840 167 D CB 0.038 40.728 40.800 -0.183 0.000 1.060 167 D HN 0.027 nan 8.370 nan 0.000 0.502 168 F N 1.479 121.392 119.950 -0.061 0.000 2.668 168 F HA 0.108 4.635 4.527 0.000 0.000 0.297 168 F C 2.177 177.960 175.800 -0.027 0.000 1.124 168 F CA -0.104 57.861 58.000 -0.059 0.000 1.353 168 F CB 0.308 39.254 39.000 -0.090 0.000 0.992 168 F HN 0.357 nan 8.300 nan 0.000 0.524 169 T N -3.168 111.428 114.554 0.069 0.000 3.081 169 T HA 0.327 4.678 4.350 0.000 0.000 0.250 169 T C 1.145 175.867 174.700 0.038 0.000 1.100 169 T CA 0.329 62.462 62.100 0.055 0.000 1.038 169 T CB -0.094 68.794 68.868 0.034 0.000 0.962 169 T HN 0.167 nan 8.240 nan 0.000 0.516 170 G N 1.597 110.411 108.800 0.023 0.000 2.642 170 G HA2 0.613 4.573 3.960 0.000 0.000 0.291 170 G HA3 0.613 4.573 3.960 0.000 0.000 0.291 170 G C -2.898 172.025 174.900 0.039 0.000 1.345 170 G CA -2.036 43.075 45.100 0.019 0.000 1.043 170 G HN 0.093 nan 8.290 nan 0.000 0.528 171 P HA 0.143 nan 4.420 nan 0.000 0.266 171 P C 0.345 177.693 177.300 0.079 0.000 1.215 171 P CA 0.159 63.275 63.100 0.027 0.000 0.763 171 P CB 1.200 32.901 31.700 0.002 0.000 0.806 172 S N 2.101 117.833 115.700 0.054 0.000 2.663 172 S HA 0.423 4.893 4.470 0.000 0.000 0.243 172 S C 1.157 175.681 174.600 -0.127 0.000 1.009 172 S CA 0.158 58.418 58.200 0.100 0.000 0.988 172 S CB -0.763 62.515 63.200 0.130 0.000 0.896 172 S HN 0.655 nan 8.310 nan 0.000 0.502 173 G N 1.863 110.472 108.800 -0.318 0.000 2.611 173 G HA2 -0.364 3.596 3.960 0.000 0.000 0.301 173 G HA3 -0.364 3.596 3.960 0.000 0.000 0.301 173 G C 0.346 174.924 174.900 -0.537 0.000 1.233 173 G CA 0.376 45.054 45.100 -0.704 0.000 0.993 173 G HN 0.587 nan 8.290 nan 0.000 0.553 174 W N 1.043 122.212 121.300 -0.219 0.000 2.721 174 W HA 0.336 4.997 4.660 0.000 0.000 0.245 174 W C 2.401 178.873 176.519 -0.079 0.000 1.276 174 W CA 0.331 57.612 57.345 -0.106 0.000 1.342 174 W CB -0.203 29.219 29.460 -0.063 0.000 1.135 174 W HN 0.285 nan 8.180 nan 0.000 0.654 175 L N -0.119 121.139 121.223 0.059 0.000 2.552 175 L HA 0.038 4.378 4.340 0.000 0.000 0.227 175 L C 1.219 178.116 176.870 0.046 0.000 1.146 175 L CA 0.434 55.288 54.840 0.024 0.000 0.858 175 L CB -0.494 41.573 42.059 0.012 0.000 0.969 175 L HN -0.224 nan 8.230 nan 0.000 0.451 176 S N -0.958 114.769 115.700 0.045 0.000 2.473 176 S HA 0.226 4.696 4.470 0.000 0.000 0.307 176 S C 1.167 175.843 174.600 0.127 0.000 1.094 176 S CA -0.414 57.826 58.200 0.067 0.000 1.070 176 S CB 1.484 64.701 63.200 0.028 0.000 1.019 176 S HN 0.297 nan 8.310 nan 0.000 0.480 177 T N 2.744 117.415 114.554 0.196 0.000 3.007 177 T HA -0.096 4.255 4.350 0.000 0.000 0.270 177 T C 1.749 176.669 174.700 0.366 0.000 1.107 177 T CA 0.922 63.210 62.100 0.313 0.000 1.118 177 T CB -0.309 68.773 68.868 0.356 0.000 0.889 177 T HN 0.592 nan 8.240 nan 0.000 0.506 178 R N 1.714 122.376 120.500 0.269 0.000 2.105 178 R HA -0.068 4.273 4.340 0.000 0.000 0.239 178 R C 2.304 178.649 176.300 0.073 0.000 1.135 178 R CA 2.104 58.276 56.100 0.120 0.000 0.967 178 R CB -1.356 29.003 30.300 0.098 0.000 0.861 178 R HN 0.439 nan 8.270 nan 0.000 0.442 179 T N -0.229 114.319 114.554 -0.010 0.000 2.788 179 T HA -0.094 4.257 4.350 0.000 0.000 0.268 179 T C 1.782 176.541 174.700 0.098 0.000 1.044 179 T CA 1.469 63.486 62.100 -0.139 0.000 1.139 179 T CB -0.244 68.330 68.868 -0.491 0.000 0.867 179 T HN 0.032 nan 8.240 nan 0.000 0.454 180 V N 0.550 120.596 119.914 0.220 0.000 2.295 180 V HA -0.179 3.941 4.120 0.000 0.000 0.246 180 V C 2.016 178.277 176.094 0.279 0.000 1.049 180 V CA 1.682 64.191 62.300 0.348 0.000 1.024 180 V CB -0.761 31.256 31.823 0.324 0.000 0.648 180 V HN 0.502 nan 8.190 nan 0.000 0.447 181 Y N 1.397 121.728 120.300 0.051 0.000 2.097 181 Y HA -0.227 4.323 4.550 0.000 0.000 0.282 181 Y C 2.641 178.518 175.900 -0.038 0.000 1.152 181 Y CA 2.081 60.117 58.100 -0.107 0.000 1.136 181 Y CB -0.167 37.950 38.460 -0.573 0.000 0.975 181 Y HN 0.237 nan 8.280 nan 0.000 0.498 182 E N -0.387 119.863 120.200 0.083 0.000 2.150 182 E HA -0.201 4.149 4.350 0.000 0.000 0.193 182 E C 2.067 178.755 176.600 0.146 0.000 0.985 182 E CA 1.054 57.535 56.400 0.135 0.000 0.814 182 E CB -0.757 29.179 29.700 0.393 0.000 0.752 182 E HN 0.567 nan 8.360 nan 0.000 0.466 183 F N 1.797 121.765 119.950 0.030 0.000 2.146 183 F HA -0.105 4.422 4.527 0.000 0.000 0.298 183 F C 2.260 177.941 175.800 -0.197 0.000 1.096 183 F CA 1.233 59.065 58.000 -0.279 0.000 1.275 183 F CB -0.411 38.576 39.000 -0.021 0.000 1.008 183 F HN -0.026 nan 8.300 nan 0.000 0.480 184 A N 0.663 123.343 122.820 -0.233 0.000 1.908 184 A HA -0.214 4.106 4.320 0.000 0.000 0.218 184 A C 2.341 179.685 177.584 -0.401 0.000 1.181 184 A CA 1.935 53.769 52.037 -0.339 0.000 0.627 184 A CB -0.694 18.186 19.000 -0.199 0.000 0.818 184 A HN 0.474 nan 8.150 nan 0.000 0.445 185 R N -2.010 118.257 120.500 -0.388 0.000 2.073 185 R HA -0.034 4.306 4.340 0.000 0.000 0.229 185 R C 2.016 178.168 176.300 -0.246 0.000 1.120 185 R CA 1.371 57.269 56.100 -0.336 0.000 0.967 185 R CB -0.530 29.535 30.300 -0.392 0.000 0.862 185 R HN 0.575 nan 8.270 nan 0.000 0.436 186 F N 1.723 121.396 119.950 -0.461 0.000 2.095 186 F HA -0.223 4.304 4.527 0.000 0.000 0.298 186 F C 2.069 177.676 175.800 -0.321 0.000 1.104 186 F CA 1.611 59.347 58.000 -0.439 0.000 1.232 186 F CB -0.317 38.092 39.000 -0.984 0.000 0.987 186 F HN -0.147 nan 8.300 nan 0.000 0.475 187 S N 0.600 115.878 115.700 -0.703 0.000 2.355 187 S HA -0.133 4.337 4.470 0.000 0.000 0.222 187 S C 2.365 176.674 174.600 -0.485 0.000 1.031 187 S CA 1.076 58.842 58.200 -0.723 0.000 0.993 187 S CB -0.995 61.741 63.200 -0.774 0.000 0.859 187 S HN 0.563 nan 8.310 nan 0.000 0.453 188 A N 0.643 123.239 122.820 -0.372 0.000 1.908 188 A HA -0.180 4.141 4.320 0.000 0.000 0.218 188 A C 1.973 179.487 177.584 -0.117 0.000 1.181 188 A CA 1.858 53.740 52.037 -0.257 0.000 0.627 188 A CB -1.043 17.814 19.000 -0.237 0.000 0.818 188 A HN 0.605 nan 8.150 nan 0.000 0.445 189 Y N 0.423 120.621 120.300 -0.171 0.000 2.145 189 Y HA -0.197 4.353 4.550 0.000 0.000 0.286 189 Y C 2.072 178.040 175.900 0.114 0.000 1.145 189 Y CA 1.731 59.865 58.100 0.058 0.000 1.148 189 Y CB -0.086 38.461 38.460 0.145 0.000 0.981 189 Y HN 0.240 nan 8.280 nan 0.000 0.507 190 I N 0.439 120.984 120.570 -0.041 0.000 2.252 190 I HA -0.264 3.906 4.170 0.000 0.000 0.245 190 I C 2.674 178.844 176.117 0.088 0.000 1.102 190 I CA 1.496 62.807 61.300 0.018 0.000 1.385 190 I CB -1.978 35.901 38.000 -0.202 0.000 1.064 190 I HN 0.372 nan 8.210 nan 0.000 0.414 191 A N -0.093 122.684 122.820 -0.072 0.000 1.908 191 A HA -0.270 4.050 4.320 0.000 0.000 0.218 191 A C 2.218 179.837 177.584 0.058 0.000 1.181 191 A CA 1.608 53.610 52.037 -0.058 0.000 0.627 191 A CB -1.241 17.496 19.000 -0.438 0.000 0.818 191 A HN 0.575 nan 8.150 nan 0.000 0.445 192 W N 0.974 122.153 121.300 -0.202 0.000 2.338 192 W HA -0.150 4.510 4.660 0.000 0.000 0.304 192 W C 1.874 178.239 176.519 -0.255 0.000 1.212 192 W CA 2.061 59.279 57.345 -0.212 0.000 1.264 192 W CB 0.026 29.338 29.460 -0.246 0.000 1.142 192 W HN 0.113 nan 8.180 nan 0.000 0.512 193 K N -0.857 119.320 120.400 -0.373 0.000 2.167 193 K HA -0.049 4.271 4.320 0.000 0.000 0.203 193 K C 1.476 177.697 176.600 -0.632 0.000 1.052 193 K CA 1.179 57.037 56.287 -0.715 0.000 0.956 193 K CB -0.799 31.158 32.500 -0.906 0.000 0.735 193 K HN 0.226 nan 8.250 nan 0.000 0.451 194 F N -0.106 119.819 119.950 -0.041 0.000 2.706 194 F HA 0.112 4.639 4.527 0.000 0.000 0.313 194 F C 1.478 177.309 175.800 0.052 0.000 1.096 194 F CA -0.600 57.436 58.000 0.060 0.000 1.219 194 F CB 0.160 39.264 39.000 0.174 0.000 1.051 194 F HN -0.056 nan 8.300 nan 0.000 0.568 195 D N 1.152 121.659 120.400 0.177 0.000 2.228 195 D HA -0.227 4.413 4.640 0.000 0.000 0.203 195 D C 1.963 178.301 176.300 0.063 0.000 0.988 195 D CA 1.877 55.969 54.000 0.154 0.000 0.864 195 D CB -0.020 40.860 40.800 0.133 0.000 0.928 195 D HN 0.357 nan 8.370 nan 0.000 0.469 196 D N -0.216 120.210 120.400 0.043 0.000 2.264 196 D HA -0.166 4.474 4.640 0.000 0.000 0.208 196 D C 1.970 178.299 176.300 0.049 0.000 0.966 196 D CA 0.668 54.683 54.000 0.026 0.000 0.864 196 D CB -0.333 40.467 40.800 0.001 0.000 0.933 196 D HN 0.382 nan 8.370 nan 0.000 0.499 197 L N 0.199 121.490 121.223 0.112 0.000 2.515 197 L HA 0.164 4.504 4.340 0.000 0.000 0.223 197 L C 0.780 177.713 176.870 0.106 0.000 1.079 197 L CA -0.093 54.839 54.840 0.153 0.000 0.857 197 L CB 0.567 42.813 42.059 0.312 0.000 1.050 197 L HN -0.180 nan 8.230 nan 0.000 0.476 198 V N 0.701 120.574 119.914 -0.068 0.000 2.607 198 V HA 0.054 4.174 4.120 0.000 0.000 0.289 198 V C 0.545 176.356 176.094 -0.472 0.000 1.053 198 V CA -0.040 61.990 62.300 -0.449 0.000 0.996 198 V CB 1.707 33.031 31.823 -0.831 0.000 0.995 198 V HN 0.172 nan 8.190 nan 0.000 0.476 199 D N 1.741 121.759 120.400 -0.636 0.000 2.369 199 D HA 0.156 4.797 4.640 0.000 0.000 0.231 199 D C 0.413 176.386 176.300 -0.545 0.000 0.967 199 D CA 0.692 54.291 54.000 -0.668 0.000 0.905 199 D CB 0.906 40.930 40.800 -1.294 0.000 1.044 199 D HN 0.675 nan 8.370 nan 0.000 0.487 200 E N -0.711 119.128 120.200 -0.601 0.000 2.393 200 E HA 0.404 4.754 4.350 0.000 0.000 0.273 200 E C -1.357 175.015 176.600 -0.381 0.000 0.918 200 E CA -0.674 55.546 56.400 -0.300 0.000 0.773 200 E CB 2.229 31.858 29.700 -0.119 0.000 1.275 200 E HN -0.072 nan 8.360 nan 0.000 0.451 201 Y N 0.137 120.525 120.300 0.147 0.000 2.446 201 Y HA 0.434 4.984 4.550 0.000 0.000 0.338 201 Y C 0.212 176.270 175.900 0.264 0.000 1.055 201 Y CA -0.582 57.567 58.100 0.082 0.000 1.101 201 Y CB 2.315 40.766 38.460 -0.016 0.000 1.221 201 Y HN 0.323 nan 8.280 nan 0.000 0.460 202 S N -0.137 115.753 115.700 0.317 0.000 2.513 202 S HA 0.319 4.789 4.470 0.000 0.000 0.299 202 S C 0.756 175.475 174.600 0.199 0.000 1.087 202 S CA -0.093 58.203 58.200 0.161 0.000 1.012 202 S CB 0.977 64.267 63.200 0.150 0.000 1.044 202 S HN 0.836 nan 8.310 nan 0.000 0.485 203 T N 2.062 116.742 114.554 0.209 0.000 2.809 203 T HA 0.180 4.531 4.350 0.000 0.000 0.260 203 T C 0.861 175.852 174.700 0.485 0.000 1.039 203 T CA 0.824 63.136 62.100 0.353 0.000 1.141 203 T CB -0.504 68.631 68.868 0.446 0.000 0.869 203 T HN 0.764 nan 8.240 nan 0.000 0.437 204 M N -0.039 119.763 119.600 0.336 0.000 2.569 204 M HA 0.614 5.094 4.480 0.000 0.000 0.279 204 M C -1.732 174.659 176.300 0.152 0.000 1.253 204 M CA -1.081 54.419 55.300 0.333 0.000 0.867 204 M CB 1.985 34.773 32.600 0.314 0.000 1.727 204 M HN -0.044 nan 8.290 nan 0.000 0.467 205 N N 0.591 119.331 118.700 0.067 0.000 2.424 205 N HA 0.281 5.021 4.740 0.000 0.000 0.271 205 N C -1.131 174.373 175.510 -0.010 0.000 0.985 205 N CA -0.034 52.933 53.050 -0.138 0.000 0.921 205 N CB 0.977 39.066 38.487 -0.663 0.000 1.149 205 N HN 0.838 nan 8.380 nan 0.000 0.492 206 E N 1.772 121.941 120.200 -0.051 0.000 2.210 206 E HA -0.173 4.178 4.350 0.000 0.000 0.201 206 E C -1.750 174.753 176.600 -0.161 0.000 1.339 206 E CA 0.072 56.400 56.400 -0.119 0.000 0.699 206 E CB -0.634 29.089 29.700 0.039 0.000 1.126 206 E HN 0.676 nan 8.360 nan 0.000 0.355 207 P HA -0.232 nan 4.420 nan 0.000 0.218 207 P C 1.113 178.199 177.300 -0.357 0.000 1.149 207 P CA 1.554 64.496 63.100 -0.264 0.000 0.817 207 P CB -0.008 31.554 31.700 -0.230 0.000 0.785 208 N N 0.473 118.849 118.700 -0.539 0.000 2.223 208 N HA -0.097 4.644 4.740 0.000 0.000 0.185 208 N C 1.609 176.908 175.510 -0.352 0.000 1.016 208 N CA 1.167 53.957 53.050 -0.433 0.000 0.863 208 N CB -1.668 36.439 38.487 -0.633 0.000 0.983 208 N HN 0.078 nan 8.380 nan 0.000 0.429 209 V N 0.857 120.509 119.914 -0.437 0.000 2.379 209 V HA -0.114 4.006 4.120 0.000 0.000 0.245 209 V C 2.673 178.443 176.094 -0.539 0.000 1.044 209 V CA 0.854 62.856 62.300 -0.497 0.000 1.036 209 V CB -0.396 31.108 31.823 -0.532 0.000 0.664 209 V HN 0.104 nan 8.190 nan 0.000 0.453 210 V N 1.219 120.793 119.914 -0.567 0.000 2.255 210 V HA -0.233 3.887 4.120 0.000 0.000 0.247 210 V C 2.613 178.626 176.094 -0.135 0.000 1.051 210 V CA 2.470 64.530 62.300 -0.399 0.000 1.018 210 V CB -1.423 30.235 31.823 -0.274 0.000 0.641 210 V HN 0.605 nan 8.190 nan 0.000 0.445 211 G N -0.635 108.121 108.800 -0.075 0.000 2.403 211 G HA2 -0.036 3.925 3.960 0.000 0.000 0.216 211 G HA3 -0.036 3.925 3.960 0.000 0.000 0.216 211 G C 1.570 176.545 174.900 0.124 0.000 1.154 211 G CA 0.831 46.007 45.100 0.126 0.000 0.784 211 G HN 0.590 nan 8.290 nan 0.000 0.538 212 G N 0.883 109.659 108.800 -0.040 0.000 2.404 212 G HA2 -0.080 3.880 3.960 0.000 0.000 0.214 212 G HA3 -0.080 3.880 3.960 0.000 0.000 0.214 212 G C 1.733 176.565 174.900 -0.113 0.000 1.189 212 G CA 0.572 45.636 45.100 -0.059 0.000 0.789 212 G HN 0.380 nan 8.290 nan 0.000 0.533 213 L N 0.758 121.819 121.223 -0.270 0.000 2.270 213 L HA 0.130 4.471 4.340 0.000 0.000 0.210 213 L C 3.103 179.833 176.870 -0.234 0.000 1.104 213 L CA 0.648 55.273 54.840 -0.358 0.000 0.804 213 L CB -0.542 41.010 42.059 -0.845 0.000 0.937 213 L HN 0.326 nan 8.230 nan 0.000 0.450 214 G N -0.450 108.215 108.800 -0.226 0.000 2.422 214 G HA2 -0.259 3.702 3.960 0.000 0.000 0.218 214 G HA3 -0.259 3.702 3.960 0.000 0.000 0.218 214 G C 1.045 175.582 174.900 -0.604 0.000 1.146 214 G CA 0.803 45.632 45.100 -0.452 0.000 0.769 214 G HN 0.407 nan 8.290 nan 0.000 0.547 215 Y N -1.913 118.393 120.300 0.010 0.000 2.563 215 Y HA 0.401 4.952 4.550 0.000 0.000 0.250 215 Y C 1.690 177.618 175.900 0.046 0.000 1.126 215 Y CA -0.290 57.851 58.100 0.068 0.000 1.231 215 Y CB 0.942 39.469 38.460 0.111 0.000 1.288 215 Y HN 0.038 nan 8.280 nan 0.000 0.537 216 V N -1.915 118.073 119.914 0.123 0.000 3.279 216 V HA 0.257 4.377 4.120 0.000 0.000 0.213 216 V C 1.651 177.760 176.094 0.025 0.000 1.335 216 V CA 0.612 62.973 62.300 0.103 0.000 1.317 216 V CB -0.321 31.609 31.823 0.178 0.000 1.209 216 V HN 0.202 nan 8.190 nan 0.000 0.525 217 G N 1.670 110.454 108.800 -0.027 0.000 3.197 217 G HA2 0.257 4.218 3.960 0.000 0.000 0.257 217 G HA3 0.257 4.218 3.960 0.000 0.000 0.257 217 G C 1.110 175.976 174.900 -0.057 0.000 0.835 217 G CA 0.669 45.733 45.100 -0.061 0.000 2.001 217 G HN 0.502 nan 8.290 nan 0.000 0.625 218 V N -1.229 118.674 119.914 -0.019 0.000 2.913 218 V HA -0.002 4.118 4.120 0.000 0.000 0.260 218 V C 2.213 178.343 176.094 0.060 0.000 1.098 218 V CA 1.276 63.584 62.300 0.013 0.000 1.121 218 V CB -0.328 31.500 31.823 0.008 0.000 0.714 218 V HN 0.429 nan 8.190 nan 0.000 0.487 219 K N 1.975 122.402 120.400 0.044 0.000 2.362 219 K HA -0.045 4.276 4.320 0.000 0.000 0.200 219 K C 2.307 178.972 176.600 0.109 0.000 1.046 219 K CA 1.331 57.661 56.287 0.072 0.000 0.952 219 K CB -0.244 32.290 32.500 0.055 0.000 0.753 219 K HN 0.763 nan 8.250 nan 0.000 0.466 220 S N 0.129 115.878 115.700 0.081 0.000 2.507 220 S HA -0.037 4.433 4.470 0.000 0.000 0.235 220 S C 1.406 176.230 174.600 0.374 0.000 0.988 220 S CA 0.576 58.855 58.200 0.133 0.000 0.944 220 S CB -0.399 62.718 63.200 -0.139 0.000 0.762 220 S HN 0.398 nan 8.310 nan 0.000 0.526 221 G N 0.666 109.683 108.800 0.362 0.000 2.246 221 G HA2 -0.234 3.726 3.960 0.000 0.000 0.273 221 G HA3 -0.234 3.726 3.960 0.000 0.000 0.273 221 G C -0.310 174.974 174.900 0.640 0.000 1.055 221 G CA 0.058 45.476 45.100 0.530 0.000 0.851 221 G HN 0.427 nan 8.290 nan 0.000 0.500 222 F N 1.172 121.100 119.950 -0.036 0.000 2.399 222 F HA 0.539 5.067 4.527 0.000 0.000 0.334 222 F C -1.230 173.861 175.800 -1.182 0.000 1.097 222 F CA -2.943 54.761 58.000 -0.494 0.000 1.076 222 F CB 1.690 40.507 39.000 -0.305 0.000 1.162 222 F HN -0.054 nan 8.300 nan 0.000 0.495 223 P HA 0.149 nan 4.420 nan 0.000 0.275 223 P C -2.437 174.304 177.300 -0.931 0.000 1.228 223 P CA -1.425 60.449 63.100 -2.044 0.000 0.786 223 P CB 0.979 31.581 31.700 -1.830 0.000 0.927 224 P HA 0.075 nan 4.420 nan 0.000 0.261 224 P C 0.771 177.854 177.300 -0.363 0.000 1.352 224 P CA 0.303 63.045 63.100 -0.595 0.000 0.891 224 P CB -0.313 31.340 31.700 -0.079 0.000 1.383 225 G N 0.340 108.895 108.800 -0.409 0.000 2.305 225 G HA2 -0.301 3.660 3.960 0.000 0.000 0.287 225 G HA3 -0.301 3.660 3.960 0.000 0.000 0.287 225 G C -0.603 174.356 174.900 0.098 0.000 1.036 225 G CA -0.027 45.051 45.100 -0.037 0.000 0.887 225 G HN 0.500 nan 8.290 nan 0.000 0.505 226 Y N -0.155 120.120 120.300 -0.043 0.000 2.356 226 Y HA 0.594 5.144 4.550 0.000 0.000 0.334 226 Y C 0.130 176.119 175.900 0.149 0.000 0.958 226 Y CA -1.753 56.414 58.100 0.112 0.000 1.196 226 Y CB 1.097 39.706 38.460 0.247 0.000 1.137 226 Y HN 0.252 nan 8.280 nan 0.000 0.485 227 L N 6.333 127.361 121.223 -0.325 0.000 2.325 227 L HA 0.477 4.817 4.340 0.000 0.000 0.284 227 L C -0.607 176.127 176.870 -0.225 0.000 1.089 227 L CA 0.428 55.146 54.840 -0.203 0.000 0.836 227 L CB 0.214 42.131 42.059 -0.237 0.000 1.184 227 L HN 0.602 nan 8.230 nan 0.000 0.444 228 S N 4.202 119.903 115.700 0.002 0.000 2.599 228 S HA 0.330 4.800 4.470 0.000 0.000 0.269 228 S C 0.683 175.358 174.600 0.124 0.000 1.135 228 S CA -0.588 57.630 58.200 0.031 0.000 1.027 228 S CB 0.092 63.444 63.200 0.254 0.000 1.129 228 S HN 0.407 nan 8.310 nan 0.000 0.458 229 F N 2.784 122.743 119.950 0.015 0.000 2.095 229 F HA -0.024 4.503 4.527 0.000 0.000 0.298 229 F C 2.452 178.227 175.800 -0.042 0.000 1.104 229 F CA 1.869 59.857 58.000 -0.020 0.000 1.232 229 F CB -0.720 38.253 39.000 -0.044 0.000 0.987 229 F HN 0.793 nan 8.300 nan 0.000 0.475 230 E N 0.439 120.735 120.200 0.159 0.000 2.038 230 E HA -0.211 4.139 4.350 0.000 0.000 0.195 230 E C 2.289 178.870 176.600 -0.031 0.000 1.000 230 E CA 1.349 57.769 56.400 0.033 0.000 0.803 230 E CB -0.288 29.412 29.700 0.000 0.000 0.750 230 E HN 0.364 nan 8.360 nan 0.000 0.448 231 L N 0.270 121.469 121.223 -0.039 0.000 2.141 231 L HA -0.133 4.207 4.340 0.000 0.000 0.209 231 L C 2.739 179.401 176.870 -0.347 0.000 1.094 231 L CA 0.861 55.584 54.840 -0.194 0.000 0.763 231 L CB -0.405 41.562 42.059 -0.153 0.000 0.908 231 L HN 0.182 nan 8.230 nan 0.000 0.437 232 S N 0.102 115.723 115.700 -0.132 0.000 2.356 232 S HA -0.191 4.280 4.470 0.000 0.000 0.223 232 S C 2.150 176.721 174.600 -0.047 0.000 1.032 232 S CA 1.284 59.450 58.200 -0.057 0.000 1.005 232 S CB -0.047 63.240 63.200 0.144 0.000 0.867 232 S HN 0.335 nan 8.310 nan 0.000 0.449 233 R N 0.385 120.863 120.500 -0.037 0.000 2.083 233 R HA -0.081 4.259 4.340 0.000 0.000 0.237 233 R C 2.727 179.036 176.300 0.015 0.000 1.137 233 R CA 1.706 57.786 56.100 -0.034 0.000 0.951 233 R CB -0.392 29.860 30.300 -0.079 0.000 0.851 233 R HN 0.417 nan 8.270 nan 0.000 0.434 234 R N 0.729 121.204 120.500 -0.042 0.000 2.073 234 R HA -0.129 4.211 4.340 0.000 0.000 0.234 234 R C 2.216 178.544 176.300 0.047 0.000 1.134 234 R CA 1.582 57.678 56.100 -0.006 0.000 0.952 234 R CB -0.274 29.976 30.300 -0.083 0.000 0.850 234 R HN 0.236 nan 8.270 nan 0.000 0.433 235 A N 0.840 123.617 122.820 -0.072 0.000 1.908 235 A HA -0.180 4.140 4.320 0.000 0.000 0.218 235 A C 2.141 179.758 177.584 0.055 0.000 1.181 235 A CA 1.566 53.599 52.037 -0.007 0.000 0.627 235 A CB -0.379 18.540 19.000 -0.135 0.000 0.818 235 A HN 0.296 nan 8.150 nan 0.000 0.445 236 M N -2.167 117.494 119.600 0.101 0.000 2.132 236 M HA -0.061 4.419 4.480 0.000 0.000 0.263 236 M C 2.121 178.557 176.300 0.228 0.000 1.065 236 M CA 1.185 56.607 55.300 0.204 0.000 1.122 236 M CB -1.531 31.320 32.600 0.419 0.000 1.365 236 M HN 0.597 nan 8.290 nan 0.000 0.411 237 Y N 2.111 122.485 120.300 0.123 0.000 2.114 237 Y HA -0.284 4.266 4.550 0.000 0.000 0.282 237 Y C 2.167 178.098 175.900 0.050 0.000 1.165 237 Y CA 1.891 60.045 58.100 0.090 0.000 1.148 237 Y CB -0.439 38.056 38.460 0.059 0.000 0.972 237 Y HN 0.313 nan 8.280 nan 0.000 0.504 238 N N 0.366 119.135 118.700 0.114 0.000 2.120 238 N HA -0.205 4.535 4.740 0.000 0.000 0.188 238 N C 2.073 177.577 175.510 -0.011 0.000 1.024 238 N CA 1.723 54.830 53.050 0.094 0.000 0.852 238 N CB -0.607 38.038 38.487 0.263 0.000 1.003 238 N HN 0.475 nan 8.380 nan 0.000 0.424 239 I N 0.766 121.229 120.570 -0.177 0.000 2.361 239 I HA -0.186 3.984 4.170 0.000 0.000 0.251 239 I C 1.856 177.822 176.117 -0.253 0.000 1.133 239 I CA 0.667 61.672 61.300 -0.492 0.000 1.413 239 I CB 0.055 37.582 38.000 -0.788 0.000 1.073 239 I HN 0.054 nan 8.210 nan 0.000 0.424 240 I N 0.557 120.997 120.570 -0.218 0.000 2.142 240 I HA -0.365 3.805 4.170 0.000 0.000 0.240 240 I C 2.524 178.494 176.117 -0.245 0.000 1.078 240 I CA 1.646 62.743 61.300 -0.338 0.000 1.343 240 I CB -0.361 37.353 38.000 -0.477 0.000 1.046 240 I HN 0.341 nan 8.210 nan 0.000 0.405 241 Q N 0.859 120.504 119.800 -0.258 0.000 2.167 241 Q HA -0.123 4.218 4.340 0.000 0.000 0.202 241 Q C 2.297 178.284 176.000 -0.022 0.000 0.970 241 Q CA 1.417 57.121 55.803 -0.165 0.000 0.855 241 Q CB -0.483 28.146 28.738 -0.183 0.000 0.911 241 Q HN 0.528 nan 8.270 nan 0.000 0.438 242 A N 1.578 124.425 122.820 0.045 0.000 1.902 242 A HA -0.253 4.068 4.320 0.000 0.000 0.217 242 A C 1.949 179.669 177.584 0.225 0.000 1.181 242 A CA 1.784 53.950 52.037 0.216 0.000 0.623 242 A CB -0.808 18.363 19.000 0.286 0.000 0.818 242 A HN 0.575 nan 8.150 nan 0.000 0.443 243 H N 0.047 119.133 119.070 0.026 0.000 2.293 243 H HA 0.043 4.599 4.556 0.000 0.000 0.300 243 H C 2.120 177.465 175.328 0.027 0.000 1.082 243 H CA 2.137 58.217 56.048 0.053 0.000 1.308 243 H CB -0.377 29.335 29.762 -0.083 0.000 1.375 243 H HN 0.349 nan 8.280 nan 0.000 0.495 244 A N 1.301 123.983 122.820 -0.230 0.000 1.908 244 A HA -0.181 4.140 4.320 0.000 0.000 0.218 244 A C 2.407 179.902 177.584 -0.148 0.000 1.181 244 A CA 1.673 53.556 52.037 -0.258 0.000 0.627 244 A CB -0.392 18.510 19.000 -0.164 0.000 0.818 244 A HN 0.396 nan 8.150 nan 0.000 0.445 245 R N -0.444 120.010 120.500 -0.077 0.000 2.092 245 R HA -0.023 4.318 4.340 0.000 0.000 0.231 245 R C 2.416 178.651 176.300 -0.108 0.000 1.119 245 R CA 1.340 57.408 56.100 -0.052 0.000 0.970 245 R CB -1.164 29.136 30.300 0.001 0.000 0.864 245 R HN 0.535 nan 8.270 nan 0.000 0.440 246 A N 0.447 123.195 122.820 -0.120 0.000 1.902 246 A HA -0.216 4.104 4.320 0.000 0.000 0.217 246 A C 2.087 179.528 177.584 -0.237 0.000 1.181 246 A CA 1.225 53.114 52.037 -0.246 0.000 0.623 246 A CB -0.777 18.092 19.000 -0.219 0.000 0.818 246 A HN 0.389 nan 8.150 nan 0.000 0.443 247 Y N 1.230 121.309 120.300 -0.369 0.000 2.128 247 Y HA -0.263 4.287 4.550 0.000 0.000 0.284 247 Y C 1.869 177.630 175.900 -0.231 0.000 1.154 247 Y CA 2.257 60.161 58.100 -0.327 0.000 1.149 247 Y CB -0.221 37.990 38.460 -0.416 0.000 0.976 247 Y HN 0.358 nan 8.280 nan 0.000 0.505 248 D N -0.542 119.867 120.400 0.014 0.000 2.144 248 D HA -0.113 4.527 4.640 0.000 0.000 0.200 248 D C 2.351 178.564 176.300 -0.144 0.000 0.978 248 D CA 1.440 55.423 54.000 -0.027 0.000 0.833 248 D CB -0.868 39.933 40.800 0.000 0.000 0.961 248 D HN 0.535 nan 8.370 nan 0.000 0.470 249 G N 0.741 109.428 108.800 -0.188 0.000 2.404 249 G HA2 -0.188 3.772 3.960 0.000 0.000 0.215 249 G HA3 -0.188 3.772 3.960 0.000 0.000 0.215 249 G C 1.801 176.536 174.900 -0.275 0.000 1.174 249 G CA 0.287 45.251 45.100 -0.227 0.000 0.780 249 G HN 0.252 nan 8.290 nan 0.000 0.537 250 I N 0.425 120.781 120.570 -0.357 0.000 2.179 250 I HA -0.139 4.031 4.170 0.000 0.000 0.242 250 I C 2.575 178.477 176.117 -0.359 0.000 1.088 250 I CA 1.031 62.065 61.300 -0.444 0.000 1.357 250 I CB -0.069 37.561 38.000 -0.617 0.000 1.051 250 I HN -0.008 nan 8.210 nan 0.000 0.409 251 K N 0.707 120.890 120.400 -0.362 0.000 2.362 251 K HA -0.079 4.241 4.320 0.000 0.000 0.200 251 K C 2.123 178.629 176.600 -0.157 0.000 1.046 251 K CA 1.433 57.557 56.287 -0.272 0.000 0.952 251 K CB -0.497 31.815 32.500 -0.313 0.000 0.753 251 K HN 0.435 nan 8.250 nan 0.000 0.466 252 S N -0.480 115.128 115.700 -0.152 0.000 2.515 252 S HA -0.020 4.450 4.470 0.000 0.000 0.231 252 S C 1.671 176.218 174.600 -0.089 0.000 0.987 252 S CA 0.540 58.675 58.200 -0.107 0.000 0.936 252 S CB 0.200 63.330 63.200 -0.116 0.000 0.766 252 S HN 0.014 nan 8.310 nan 0.000 0.528 253 V N -0.219 119.636 119.914 -0.099 0.000 3.485 253 V HA 0.434 4.554 4.120 0.000 0.000 0.280 253 V C 0.237 176.321 176.094 -0.016 0.000 1.495 253 V CA 0.554 62.830 62.300 -0.040 0.000 1.018 253 V CB 0.988 32.785 31.823 -0.043 0.000 0.818 253 V HN 0.546 nan 8.190 nan 0.000 0.436 254 S N -1.030 114.636 115.700 -0.057 0.000 2.550 254 S HA 0.328 4.798 4.470 0.000 0.000 0.270 254 S C 0.139 174.731 174.600 -0.014 0.000 1.145 254 S CA -0.297 57.898 58.200 -0.008 0.000 0.852 254 S CB 2.272 65.487 63.200 0.025 0.000 1.119 254 S HN -0.098 nan 8.310 nan 0.000 0.465 255 K N 1.536 121.953 120.400 0.027 0.000 2.374 255 K HA 0.310 4.630 4.320 0.000 0.000 0.196 255 K C 0.349 176.987 176.600 0.064 0.000 1.023 255 K CA 0.075 56.380 56.287 0.030 0.000 1.103 255 K CB -0.165 32.356 32.500 0.035 0.000 0.848 255 K HN 0.605 nan 8.250 nan 0.000 0.528 256 K N 1.594 122.057 120.400 0.105 0.000 2.219 256 K HA 0.175 4.495 4.320 0.000 0.000 0.258 256 K C -2.676 174.045 176.600 0.202 0.000 1.008 256 K CA -1.960 54.415 56.287 0.146 0.000 0.928 256 K CB 0.256 32.843 32.500 0.144 0.000 0.983 256 K HN -0.050 nan 8.250 nan 0.000 0.484 257 P HA 0.004 nan 4.420 nan 0.000 0.268 257 P C -1.146 176.440 177.300 0.476 0.000 1.204 257 P CA -0.130 63.207 63.100 0.396 0.000 0.768 257 P CB 0.608 32.624 31.700 0.527 0.000 0.842 258 V N 3.415 123.544 119.914 0.359 0.000 2.444 258 V HA 0.689 4.809 4.120 0.000 0.000 0.294 258 V C 0.718 176.834 176.094 0.037 0.000 1.022 258 V CA -0.140 62.292 62.300 0.219 0.000 0.850 258 V CB 1.444 33.192 31.823 -0.125 0.000 0.992 258 V HN 0.779 nan 8.190 nan 0.000 0.426 259 G N 3.668 112.177 108.800 -0.485 0.000 3.209 259 G HA2 0.871 4.831 3.960 0.000 0.000 0.236 259 G HA3 0.871 4.831 3.960 0.000 0.000 0.236 259 G C -1.272 173.249 174.900 -0.631 0.000 1.329 259 G CA -0.627 43.769 45.100 -1.174 0.000 1.015 259 G HN 0.602 nan 8.290 nan 0.000 0.571 260 I N -0.737 119.400 120.570 -0.722 0.000 2.913 260 I HA 0.518 4.688 4.170 0.000 0.000 0.302 260 I C -1.437 174.534 176.117 -0.244 0.000 1.246 260 I CA -1.076 60.025 61.300 -0.333 0.000 1.010 260 I CB 2.499 40.311 38.000 -0.314 0.000 1.259 260 I HN 0.299 nan 8.210 nan 0.000 0.434 261 I N 6.092 126.625 120.570 -0.062 0.000 2.404 261 I HA 0.375 4.546 4.170 0.000 0.000 0.293 261 I C -1.507 174.672 176.117 0.104 0.000 0.992 261 I CA -0.579 60.747 61.300 0.044 0.000 1.149 261 I CB 1.793 39.826 38.000 0.055 0.000 1.315 261 I HN 0.415 nan 8.210 nan 0.000 0.446 262 Y N 4.703 124.997 120.300 -0.010 0.000 2.524 262 Y HA 0.716 5.266 4.550 0.000 0.000 0.347 262 Y C -0.382 175.520 175.900 0.003 0.000 1.005 262 Y CA -0.906 57.178 58.100 -0.026 0.000 1.025 262 Y CB 1.947 40.494 38.460 0.145 0.000 1.275 262 Y HN 0.583 nan 8.280 nan 0.000 0.460 263 A N 5.025 127.627 122.820 -0.364 0.000 2.362 263 A HA 0.516 4.836 4.320 0.000 0.000 0.276 263 A C -0.894 176.660 177.584 -0.050 0.000 1.153 263 A CA -0.432 51.483 52.037 -0.204 0.000 0.813 263 A CB -0.024 18.803 19.000 -0.289 0.000 1.081 263 A HN 0.755 nan 8.150 nan 0.000 0.507 264 N N 0.804 119.545 118.700 0.068 0.000 2.240 264 N HA 0.510 5.250 4.740 0.000 0.000 0.302 264 N C -1.077 174.455 175.510 0.037 0.000 1.106 264 N CA -0.395 52.751 53.050 0.160 0.000 0.778 264 N CB 2.158 40.835 38.487 0.316 0.000 1.431 264 N HN 0.538 nan 8.380 nan 0.000 0.479 265 S N -0.366 115.288 115.700 -0.077 0.000 2.600 265 S HA 0.417 4.887 4.470 0.000 0.000 0.300 265 S C -0.674 173.774 174.600 -0.254 0.000 1.087 265 S CA -0.562 57.481 58.200 -0.261 0.000 0.965 265 S CB 1.203 64.043 63.200 -0.599 0.000 1.089 265 S HN 0.446 nan 8.310 nan 0.000 0.496 266 S N 3.044 118.731 115.700 -0.022 0.000 2.411 266 S HA 0.492 4.962 4.470 0.000 0.000 0.294 266 S C -0.988 173.478 174.600 -0.223 0.000 1.115 266 S CA -0.539 57.669 58.200 0.012 0.000 1.071 266 S CB -0.655 62.716 63.200 0.286 0.000 0.967 266 S HN 0.469 nan 8.310 nan 0.000 0.488 267 F N 4.280 124.228 119.950 -0.002 0.000 2.467 267 F HA 0.399 4.926 4.527 0.000 0.000 0.362 267 F C 1.080 176.844 175.800 -0.060 0.000 1.090 267 F CA -0.069 57.892 58.000 -0.066 0.000 1.202 267 F CB 0.813 39.743 39.000 -0.117 0.000 1.113 267 F HN 0.404 nan 8.300 nan 0.000 0.541 268 Q N 5.182 124.991 119.800 0.015 0.000 2.356 268 Q HA 0.365 4.706 4.340 0.000 0.000 0.270 268 Q C -2.699 173.261 176.000 -0.067 0.000 1.058 268 Q CA -2.228 53.550 55.803 -0.043 0.000 0.802 268 Q CB 2.519 31.149 28.738 -0.180 0.000 1.303 268 Q HN 0.263 nan 8.270 nan 0.000 0.444 269 P HA 0.063 nan 4.420 nan 0.000 0.280 269 P C 0.545 177.789 177.300 -0.093 0.000 1.244 269 P CA -0.400 62.670 63.100 -0.049 0.000 0.784 269 P CB 1.115 32.805 31.700 -0.017 0.000 0.913 270 L N 3.527 124.688 121.223 -0.103 0.000 1.994 270 L HA -0.034 4.306 4.340 0.000 0.000 0.208 270 L C 1.097 177.930 176.870 -0.061 0.000 1.071 270 L CA 2.425 57.189 54.840 -0.128 0.000 0.745 270 L CB -0.878 41.126 42.059 -0.092 0.000 0.892 270 L HN 0.581 nan 8.230 nan 0.000 0.431 271 T N -4.597 109.940 114.554 -0.027 0.000 2.910 271 T HA 0.313 4.664 4.350 0.000 0.000 0.287 271 T C 0.516 175.216 174.700 0.000 0.000 1.050 271 T CA -0.069 62.028 62.100 -0.005 0.000 1.011 271 T CB 1.126 69.998 68.868 0.006 0.000 1.195 271 T HN 0.280 nan 8.240 nan 0.000 0.540 272 D N -0.415 119.990 120.400 0.009 0.000 2.384 272 D HA -0.056 4.585 4.640 0.000 0.000 0.222 272 D C 1.335 177.640 176.300 0.009 0.000 0.976 272 D CA 0.397 54.404 54.000 0.011 0.000 0.915 272 D CB -0.345 40.464 40.800 0.016 0.000 0.896 272 D HN 0.333 nan 8.370 nan 0.000 0.523 273 K N -0.094 120.311 120.400 0.008 0.000 2.487 273 K HA 0.052 4.372 4.320 0.000 0.000 0.192 273 K C 0.424 177.027 176.600 0.005 0.000 1.027 273 K CA 0.444 56.735 56.287 0.007 0.000 1.054 273 K CB -0.033 32.472 32.500 0.010 0.000 0.824 273 K HN 0.392 nan 8.250 nan 0.000 0.510 274 D N -0.259 120.141 120.400 0.000 0.000 2.462 274 D HA 0.178 4.818 4.640 0.000 0.000 0.221 274 D C 1.212 177.504 176.300 -0.014 0.000 1.173 274 D CA -0.081 53.916 54.000 -0.004 0.000 0.831 274 D CB 0.460 41.255 40.800 -0.007 0.000 1.001 274 D HN 0.111 nan 8.370 nan 0.000 0.499 275 M N 0.355 119.950 119.600 -0.009 0.000 2.159 275 M HA -0.098 4.382 4.480 0.000 0.000 0.263 275 M C 1.878 178.161 176.300 -0.027 0.000 1.063 275 M CA 1.253 56.547 55.300 -0.010 0.000 1.110 275 M CB -0.547 32.054 32.600 0.001 0.000 1.374 275 M HN 0.113 nan 8.290 nan 0.000 0.411 276 E N -0.128 120.055 120.200 -0.027 0.000 2.106 276 E HA -0.114 4.236 4.350 0.000 0.000 0.192 276 E C 2.023 178.572 176.600 -0.084 0.000 0.984 276 E CA 1.154 57.530 56.400 -0.040 0.000 0.806 276 E CB 0.055 29.743 29.700 -0.020 0.000 0.750 276 E HN 0.472 nan 8.360 nan 0.000 0.458 277 A N 0.821 123.593 122.820 -0.080 0.000 1.908 277 A HA -0.173 4.148 4.320 0.000 0.000 0.218 277 A C 2.465 179.853 177.584 -0.327 0.000 1.181 277 A CA 1.325 53.268 52.037 -0.156 0.000 0.627 277 A CB -0.709 18.269 19.000 -0.037 0.000 0.818 277 A HN 0.138 nan 8.150 nan 0.000 0.445 278 V N 0.044 119.847 119.914 -0.185 0.000 2.295 278 V HA -0.298 3.822 4.120 0.000 0.000 0.246 278 V C 2.439 178.386 176.094 -0.245 0.000 1.049 278 V CA 2.446 64.645 62.300 -0.168 0.000 1.024 278 V CB -0.877 30.927 31.823 -0.032 0.000 0.648 278 V HN 0.681 nan 8.190 nan 0.000 0.447 279 E N -0.440 119.666 120.200 -0.158 0.000 2.077 279 E HA -0.237 4.113 4.350 0.000 0.000 0.193 279 E C 2.217 178.706 176.600 -0.184 0.000 0.989 279 E CA 1.544 57.882 56.400 -0.104 0.000 0.800 279 E CB -0.255 29.426 29.700 -0.031 0.000 0.746 279 E HN 0.537 nan 8.360 nan 0.000 0.452 280 M N 0.490 119.925 119.600 -0.274 0.000 2.117 280 M HA -0.156 4.324 4.480 0.000 0.000 0.262 280 M C 2.518 178.481 176.300 -0.561 0.000 1.065 280 M CA 1.479 56.590 55.300 -0.316 0.000 1.114 280 M CB -0.258 32.182 32.600 -0.268 0.000 1.361 280 M HN 0.150 nan 8.290 nan 0.000 0.408 281 A N 0.328 122.533 122.820 -1.024 0.000 1.902 281 A HA -0.190 4.130 4.320 0.000 0.000 0.217 281 A C 1.931 178.875 177.584 -1.067 0.000 1.181 281 A CA 1.846 53.164 52.037 -1.198 0.000 0.623 281 A CB -0.691 17.472 19.000 -1.395 0.000 0.818 281 A HN 0.538 nan 8.150 nan 0.000 0.443 282 E N -0.117 119.569 120.200 -0.857 0.000 2.072 282 E HA -0.169 4.181 4.350 0.000 0.000 0.191 282 E C 1.832 178.074 176.600 -0.597 0.000 0.985 282 E CA 1.007 56.950 56.400 -0.763 0.000 0.801 282 E CB -0.188 29.186 29.700 -0.542 0.000 0.750 282 E HN 0.550 nan 8.360 nan 0.000 0.452 283 N N 1.333 119.914 118.700 -0.199 0.000 2.043 283 N HA -0.164 4.576 4.740 0.000 0.000 0.193 283 N C 1.370 176.966 175.510 0.143 0.000 1.037 283 N CA 1.376 54.492 53.050 0.112 0.000 0.851 283 N CB -0.394 38.163 38.487 0.117 0.000 1.027 283 N HN 0.147 nan 8.380 nan 0.000 0.422 284 D N 0.183 120.583 120.400 -0.001 0.000 2.224 284 D HA -0.009 4.631 4.640 0.000 0.000 0.205 284 D C 1.077 177.482 176.300 0.175 0.000 0.965 284 D CA 0.718 54.733 54.000 0.026 0.000 0.852 284 D CB -0.155 40.647 40.800 0.002 0.000 0.947 284 D HN 0.325 nan 8.370 nan 0.000 0.494 285 N N -0.481 118.283 118.700 0.105 0.000 2.250 285 N HA 0.081 4.822 4.740 0.000 0.000 0.190 285 N C 1.444 177.161 175.510 0.346 0.000 1.116 285 N CA 0.070 53.262 53.050 0.237 0.000 0.881 285 N CB 1.731 40.303 38.487 0.142 0.000 1.006 285 N HN 0.140 nan 8.380 nan 0.000 0.491 286 R N -0.687 119.909 120.500 0.161 0.000 3.372 286 R HA 0.124 4.464 4.340 0.000 0.000 0.150 286 R C 1.032 177.434 176.300 0.171 0.000 0.739 286 R CA -0.106 56.005 56.100 0.019 0.000 1.041 286 R CB -0.280 29.713 30.300 -0.511 0.000 1.530 286 R HN -0.009 nan 8.270 nan 0.000 0.534 287 W N 1.777 123.194 121.300 0.194 0.000 2.381 287 W HA -0.173 4.487 4.660 0.000 0.000 0.301 287 W C 2.106 178.741 176.519 0.192 0.000 1.205 287 W CA 0.398 57.864 57.345 0.201 0.000 1.285 287 W CB -0.392 29.134 29.460 0.109 0.000 1.133 287 W HN 0.383 nan 8.180 nan 0.000 0.521 288 W N 0.524 122.026 121.300 0.337 0.000 2.342 288 W HA -0.271 4.389 4.660 0.000 0.000 0.297 288 W C 1.777 178.399 176.519 0.172 0.000 1.213 288 W CA 1.074 58.544 57.345 0.208 0.000 1.251 288 W CB -1.864 27.683 29.460 0.145 0.000 1.136 288 W HN 0.032 nan 8.180 nan 0.000 0.526 289 F N 0.688 119.884 119.950 -1.257 0.000 2.128 289 F HA -0.040 4.487 4.527 0.000 0.000 0.295 289 F C 2.259 177.565 175.800 -0.824 0.000 1.100 289 F CA 1.891 59.025 58.000 -1.443 0.000 1.260 289 F CB -0.992 37.156 39.000 -1.420 0.000 1.009 289 F HN -0.280 nan 8.300 nan 0.000 0.476 290 F N 0.763 120.579 119.950 -0.223 0.000 2.259 290 F HA -0.123 4.404 4.527 0.000 0.000 0.298 290 F C 2.148 177.775 175.800 -0.288 0.000 1.088 290 F CA 1.239 59.078 58.000 -0.269 0.000 1.358 290 F CB -0.652 38.278 39.000 -0.117 0.000 1.040 290 F HN -0.053 nan 8.300 nan 0.000 0.505 291 D N 0.048 120.506 120.400 0.098 0.000 2.178 291 D HA -0.128 4.512 4.640 0.000 0.000 0.201 291 D C 2.305 178.555 176.300 -0.084 0.000 0.980 291 D CA 1.206 55.254 54.000 0.080 0.000 0.842 291 D CB -0.435 40.459 40.800 0.156 0.000 0.948 291 D HN 0.235 nan 8.370 nan 0.000 0.472 292 A N 1.018 123.704 122.820 -0.222 0.000 1.855 292 A HA -0.107 4.214 4.320 0.000 0.000 0.215 292 A C 2.239 179.615 177.584 -0.346 0.000 1.191 292 A CA 1.347 53.212 52.037 -0.286 0.000 0.613 292 A CB -0.687 18.070 19.000 -0.405 0.000 0.829 292 A HN 0.399 nan 8.150 nan 0.000 0.442 293 I N -4.006 116.263 120.570 -0.502 0.000 3.419 293 I HA 0.182 4.352 4.170 0.000 0.000 0.286 293 I C 1.746 177.672 176.117 -0.319 0.000 1.268 293 I CA 0.694 61.735 61.300 -0.432 0.000 1.414 293 I CB -0.027 37.619 38.000 -0.590 0.000 1.074 293 I HN 0.187 nan 8.210 nan 0.000 0.457 294 I N 0.837 121.234 120.570 -0.288 0.000 3.039 294 I HA 0.082 4.252 4.170 0.000 0.000 0.270 294 I C 2.240 178.274 176.117 -0.138 0.000 1.150 294 I CA 0.508 61.672 61.300 -0.225 0.000 1.448 294 I CB 0.064 37.878 38.000 -0.310 0.000 1.197 294 I HN 0.027 nan 8.210 nan 0.000 0.450 295 R N 0.468 120.908 120.500 -0.101 0.000 2.397 295 R HA 0.259 4.599 4.340 0.000 0.000 0.241 295 R C 1.250 177.513 176.300 -0.062 0.000 0.914 295 R CA 0.588 56.658 56.100 -0.050 0.000 1.071 295 R CB 0.754 31.055 30.300 0.003 0.000 1.116 295 R HN 0.382 nan 8.270 nan 0.000 0.524 296 G N 1.718 110.459 108.800 -0.098 0.000 2.175 296 G HA2 -0.335 3.625 3.960 0.000 0.000 0.265 296 G HA3 -0.335 3.625 3.960 0.000 0.000 0.265 296 G C -0.279 174.591 174.900 -0.050 0.000 0.979 296 G CA 0.246 45.293 45.100 -0.087 0.000 0.663 296 G HN 0.399 nan 8.290 nan 0.000 0.533 297 E N -0.401 119.780 120.200 -0.032 0.000 2.290 297 E HA 0.667 5.017 4.350 0.000 0.000 0.277 297 E C 0.162 176.786 176.600 0.040 0.000 1.035 297 E CA -0.071 56.336 56.400 0.011 0.000 0.873 297 E CB 1.513 31.230 29.700 0.029 0.000 1.029 297 E HN 0.464 nan 8.360 nan 0.000 0.419 298 I N 1.338 121.950 120.570 0.071 0.000 3.181 298 I HA 0.313 4.483 4.170 0.000 0.000 0.311 298 I C -0.836 175.353 176.117 0.120 0.000 1.287 298 I CA -0.318 61.062 61.300 0.133 0.000 0.958 298 I CB 2.568 40.660 38.000 0.154 0.000 1.294 298 I HN 0.436 nan 8.210 nan 0.000 0.467 305 I N -1.787 118.799 120.570 0.026 0.000 3.237 305 I HA 0.905 5.076 4.170 0.000 0.000 0.308 305 I C -0.060 176.069 176.117 0.020 0.000 1.093 305 I CA -1.516 59.796 61.300 0.020 0.000 1.001 305 I CB 2.403 40.415 38.000 0.021 0.000 1.245 305 I HN 0.119 nan 8.210 nan 0.000 0.485 306 V N 2.032 121.951 119.914 0.009 0.000 2.409 306 V HA 0.476 4.596 4.120 0.000 0.000 0.291 306 V C -0.122 175.970 176.094 -0.003 0.000 1.020 306 V CA -0.508 61.792 62.300 -0.000 0.000 0.848 306 V CB 1.222 33.040 31.823 -0.008 0.000 0.990 306 V HN 0.590 nan 8.190 nan 0.000 0.430 307 R N 2.960 123.453 120.500 -0.010 0.000 2.207 307 R HA 0.303 4.643 4.340 0.000 0.000 0.334 307 R C 0.156 176.436 176.300 -0.033 0.000 1.013 307 R CA -0.596 55.496 56.100 -0.015 0.000 0.858 307 R CB 1.181 31.473 30.300 -0.013 0.000 1.094 307 R HN 0.666 nan 8.270 nan 0.000 0.457 308 D N 1.701 122.086 120.400 -0.026 0.000 2.219 308 D HA -0.175 4.465 4.640 0.000 0.000 0.205 308 D C 1.151 177.425 176.300 -0.043 0.000 0.970 308 D CA 1.303 55.283 54.000 -0.032 0.000 0.851 308 D CB 0.189 40.977 40.800 -0.020 0.000 0.943 308 D HN 0.654 nan 8.370 nan 0.000 0.488 309 D N 0.286 120.662 120.400 -0.040 0.000 2.347 309 D HA -0.099 4.542 4.640 0.000 0.000 0.215 309 D C 1.942 178.192 176.300 -0.084 0.000 0.976 309 D CA 0.255 54.226 54.000 -0.048 0.000 0.884 309 D CB -0.058 40.724 40.800 -0.029 0.000 0.915 309 D HN 0.266 nan 8.370 nan 0.000 0.526 310 L N -0.236 120.927 121.223 -0.100 0.000 2.357 310 L HA 0.114 4.454 4.340 0.000 0.000 0.211 310 L C 1.474 178.243 176.870 -0.168 0.000 1.075 310 L CA -0.188 54.564 54.840 -0.146 0.000 0.830 310 L CB -0.116 41.851 42.059 -0.153 0.000 0.996 310 L HN -0.153 nan 8.230 nan 0.000 0.467 311 K N 0.919 121.242 120.400 -0.129 0.000 2.489 311 K HA 0.080 4.400 4.320 0.000 0.000 0.278 311 K C 0.977 177.481 176.600 -0.160 0.000 1.000 311 K CA 0.941 57.153 56.287 -0.126 0.000 1.012 311 K CB 0.325 32.777 32.500 -0.081 0.000 0.903 311 K HN 0.260 nan 8.250 nan 0.000 0.485 312 G N 3.333 112.027 108.800 -0.176 0.000 2.153 312 G HA2 -0.272 3.688 3.960 0.000 0.000 0.252 312 G HA3 -0.272 3.688 3.960 0.000 0.000 0.252 312 G C 0.029 174.699 174.900 -0.383 0.000 0.994 312 G CA 0.311 45.294 45.100 -0.195 0.000 0.698 312 G HN 0.599 nan 8.290 nan 0.000 0.521 313 R N -0.679 119.506 120.500 -0.524 0.000 4.680 313 R HA 0.685 5.025 4.340 0.000 0.000 0.222 313 R C -0.242 175.531 176.300 -0.878 0.000 1.803 313 R CA -0.141 55.286 56.100 -1.122 0.000 1.560 313 R CB -0.117 29.738 30.300 -0.742 0.000 1.412 313 R HN 0.421 nan 8.270 nan 0.000 0.815 314 L N -0.522 120.364 121.223 -0.561 0.000 2.705 314 L HA 0.275 4.615 4.340 0.000 0.000 0.260 314 L C -0.658 176.234 176.870 0.035 0.000 0.921 314 L CA 0.007 54.774 54.840 -0.121 0.000 0.948 314 L CB 2.176 44.151 42.059 -0.141 0.000 1.427 314 L HN 0.113 nan 8.230 nan 0.000 0.432 315 D N 3.043 123.543 120.400 0.166 0.000 2.380 315 D HA 0.155 4.795 4.640 0.000 0.000 0.212 315 D C -0.479 175.889 176.300 0.114 0.000 1.021 315 D CA 0.919 55.056 54.000 0.229 0.000 0.884 315 D CB 0.489 41.530 40.800 0.402 0.000 1.001 315 D HN 0.491 nan 8.370 nan 0.000 0.506 316 W N 0.192 121.394 121.300 -0.164 0.000 3.074 316 W HA 0.562 5.223 4.660 0.000 0.000 0.332 316 W C -2.041 174.369 176.519 -0.182 0.000 1.253 316 W CA -0.950 56.134 57.345 -0.436 0.000 1.180 316 W CB 0.399 29.329 29.460 -0.884 0.000 1.445 316 W HN -0.406 nan 8.180 nan 0.000 0.573 317 I N 2.209 122.836 120.570 0.094 0.000 2.418 317 I HA 0.431 4.601 4.170 0.000 0.000 0.287 317 I C 0.614 176.851 176.117 0.199 0.000 1.008 317 I CA -0.747 60.510 61.300 -0.073 0.000 1.104 317 I CB 1.970 39.747 38.000 -0.371 0.000 1.264 317 I HN 0.612 nan 8.210 nan 0.000 0.438 318 G N 5.963 114.850 108.800 0.146 0.000 2.327 318 G HA2 0.472 4.432 3.960 0.000 0.000 0.302 318 G HA3 0.472 4.432 3.960 0.000 0.000 0.302 318 G C -0.493 174.485 174.900 0.130 0.000 1.113 318 G CA -0.238 45.074 45.100 0.354 0.000 0.921 318 G HN 0.354 nan 8.290 nan 0.000 0.425 319 V N 4.315 124.302 119.914 0.121 0.000 2.348 319 V HA 0.197 4.318 4.120 0.000 0.000 0.270 319 V C -0.376 175.795 176.094 0.128 0.000 1.037 319 V CA -1.073 61.279 62.300 0.086 0.000 0.872 319 V CB 0.705 32.577 31.823 0.081 0.000 1.002 319 V HN 0.619 nan 8.190 nan 0.000 0.464 320 N N 3.763 122.526 118.700 0.106 0.000 2.473 320 N HA 0.597 5.337 4.740 0.000 0.000 0.291 320 N C -1.031 174.507 175.510 0.046 0.000 1.083 320 N CA -0.352 52.700 53.050 0.003 0.000 0.951 320 N CB 1.593 40.037 38.487 -0.071 0.000 1.164 320 N HN 0.703 nan 8.380 nan 0.000 0.480 321 Y N 1.100 121.238 120.300 -0.270 0.000 2.436 321 Y HA 0.281 4.831 4.550 0.000 0.000 0.327 321 Y C -1.181 174.488 175.900 -0.384 0.000 1.138 321 Y CA -0.582 57.410 58.100 -0.180 0.000 1.042 321 Y CB 0.506 38.982 38.460 0.027 0.000 1.302 321 Y HN 0.559 nan 8.280 nan 0.000 0.439 322 Y N 2.047 121.885 120.300 -0.769 0.000 2.701 322 Y HA 0.427 4.977 4.550 0.000 0.000 0.275 322 Y C 1.039 176.570 175.900 -0.616 0.000 1.133 322 Y CA 0.800 58.640 58.100 -0.434 0.000 1.241 322 Y CB 1.148 39.483 38.460 -0.207 0.000 1.389 322 Y HN 0.635 nan 8.280 nan 0.000 0.486 323 T N -0.465 113.581 114.554 -0.847 0.000 2.658 323 T HA 0.423 4.773 4.350 0.000 0.000 0.305 323 T C -1.531 173.104 174.700 -0.108 0.000 1.551 323 T CA -0.976 61.008 62.100 -0.193 0.000 0.985 323 T CB 0.952 69.849 68.868 0.049 0.000 1.731 323 T HN 0.173 nan 8.240 nan 0.000 0.486 324 R N 0.189 120.691 120.500 0.003 0.000 2.549 324 R HA 0.809 5.149 4.340 0.000 0.000 0.259 324 R C -0.957 175.155 176.300 -0.313 0.000 1.095 324 R CA -0.627 55.367 56.100 -0.177 0.000 1.148 324 R CB 0.599 30.576 30.300 -0.538 0.000 1.181 324 R HN 0.458 nan 8.270 nan 0.000 0.571 325 T N 1.009 115.320 114.554 -0.405 0.000 2.840 325 T HA 0.278 4.628 4.350 0.000 0.000 0.287 325 T C -0.762 173.805 174.700 -0.221 0.000 0.991 325 T CA -0.687 61.207 62.100 -0.344 0.000 0.964 325 T CB 1.659 70.287 68.868 -0.401 0.000 0.954 325 T HN 0.336 nan 8.240 nan 0.000 0.438 326 V N 4.846 124.634 119.914 -0.210 0.000 2.461 326 V HA 0.547 4.667 4.120 0.000 0.000 0.275 326 V C 0.345 176.388 176.094 -0.085 0.000 1.047 326 V CA -0.446 61.703 62.300 -0.251 0.000 0.955 326 V CB 1.111 32.572 31.823 -0.603 0.000 0.988 326 V HN 0.759 nan 8.190 nan 0.000 0.471 327 V N 3.071 122.969 119.914 -0.027 0.000 2.864 327 V HA 0.858 4.978 4.120 0.000 0.000 0.314 327 V C -0.659 175.454 176.094 0.032 0.000 1.073 327 V CA -1.053 61.288 62.300 0.068 0.000 0.956 327 V CB 1.894 33.798 31.823 0.135 0.000 1.023 327 V HN 0.949 nan 8.190 nan 0.000 0.435 328 K N 1.725 122.171 120.400 0.076 0.000 2.375 328 K HA 0.682 5.002 4.320 0.000 0.000 0.249 328 K C -0.545 176.110 176.600 0.090 0.000 0.942 328 K CA -1.056 55.264 56.287 0.054 0.000 0.806 328 K CB 2.153 34.674 32.500 0.034 0.000 1.227 328 K HN 0.536 nan 8.250 nan 0.000 0.430 329 R N 1.248 121.784 120.500 0.061 0.000 2.537 329 R HA 0.205 4.545 4.340 0.000 0.000 0.280 329 R C -0.704 175.629 176.300 0.055 0.000 1.058 329 R CA 0.207 56.347 56.100 0.066 0.000 1.057 329 R CB 0.953 31.275 30.300 0.036 0.000 0.973 329 R HN 0.872 nan 8.270 nan 0.000 0.438 330 T N 1.166 115.754 114.554 0.056 0.000 2.916 330 T HA 0.188 4.538 4.350 0.000 0.000 0.292 330 T C 1.076 175.786 174.700 0.017 0.000 1.064 330 T CA -0.591 61.525 62.100 0.027 0.000 1.011 330 T CB 1.312 70.184 68.868 0.007 0.000 1.152 330 T HN 0.582 nan 8.240 nan 0.000 0.510 331 E N 1.004 121.207 120.200 0.006 0.000 2.048 331 E HA -0.233 4.117 4.350 0.000 0.000 0.202 331 E C 2.217 178.816 176.600 -0.002 0.000 1.021 331 E CA 2.242 58.643 56.400 0.002 0.000 0.825 331 E CB -0.094 29.604 29.700 -0.003 0.000 0.756 331 E HN 0.638 nan 8.360 nan 0.000 0.454 332 K N 0.167 120.559 120.400 -0.013 0.000 2.418 332 K HA 0.121 4.442 4.320 0.000 0.000 0.195 332 K C 1.027 177.615 176.600 -0.021 0.000 1.035 332 K CA 1.309 57.583 56.287 -0.023 0.000 1.003 332 K CB 0.516 32.993 32.500 -0.039 0.000 0.793 332 K HN 0.403 nan 8.250 nan 0.000 0.494 333 G N -1.580 107.218 108.800 -0.004 0.000 2.307 333 G HA2 0.353 4.314 3.960 0.000 0.000 0.077 333 G HA3 0.353 4.314 3.960 0.000 0.000 0.077 333 G C -0.972 174.004 174.900 0.126 0.000 0.867 333 G CA 0.304 45.431 45.100 0.046 0.000 1.246 333 G HN 1.019 nan 8.290 nan 0.000 0.489 334 Y N -0.424 119.849 120.300 -0.044 0.000 2.609 334 Y HA 0.782 5.332 4.550 0.000 0.000 0.336 334 Y C -0.771 175.111 175.900 -0.030 0.000 1.129 334 Y CA -1.086 56.992 58.100 -0.037 0.000 1.040 334 Y CB 1.553 39.983 38.460 -0.049 0.000 1.310 334 Y HN 1.231 nan 8.280 nan 0.000 0.460 335 V N -0.879 119.056 119.914 0.035 0.000 2.876 335 V HA 0.788 4.908 4.120 0.000 0.000 0.312 335 V C -0.549 175.620 176.094 0.125 0.000 1.085 335 V CA -0.900 61.383 62.300 -0.028 0.000 0.945 335 V CB 1.488 33.292 31.823 -0.032 0.000 1.017 335 V HN 0.934 nan 8.190 nan 0.000 0.428 336 S N 3.050 118.812 115.700 0.102 0.000 2.584 336 S HA 0.743 5.213 4.470 0.000 0.000 0.273 336 S C -0.369 174.270 174.600 0.065 0.000 1.311 336 S CA -0.387 57.878 58.200 0.107 0.000 1.034 336 S CB 0.920 64.179 63.200 0.098 0.000 0.939 336 S HN 0.631 nan 8.310 nan 0.000 0.513 337 L N 2.228 123.491 121.223 0.067 0.000 2.307 337 L HA 0.514 4.855 4.340 0.000 0.000 0.284 337 L C 1.032 177.990 176.870 0.146 0.000 1.023 337 L CA -0.385 54.528 54.840 0.122 0.000 0.810 337 L CB 0.990 43.156 42.059 0.177 0.000 1.231 337 L HN 0.767 nan 8.230 nan 0.000 0.423 338 G N 0.723 109.581 108.800 0.097 0.000 2.614 338 G HA2 0.396 4.356 3.960 0.000 0.000 0.239 338 G HA3 0.396 4.356 3.960 0.000 0.000 0.239 338 G C 0.887 175.796 174.900 0.016 0.000 1.240 338 G CA 0.354 45.487 45.100 0.055 0.000 0.842 338 G HN 1.067 nan 8.290 nan 0.000 0.584 339 G N -1.020 107.742 108.800 -0.064 0.000 2.176 339 G HA2 -0.209 3.751 3.960 0.000 0.000 0.253 339 G HA3 -0.209 3.751 3.960 0.000 0.000 0.253 339 G C 0.010 174.623 174.900 -0.478 0.000 0.979 339 G CA 0.842 45.789 45.100 -0.255 0.000 0.641 339 G HN 0.895 nan 8.290 nan 0.000 0.530 340 Y N -1.116 119.162 120.300 -0.036 0.000 2.615 340 Y HA 0.577 5.127 4.550 0.000 0.000 0.341 340 Y C 1.288 177.120 175.900 -0.114 0.000 1.089 340 Y CA 0.124 58.185 58.100 -0.065 0.000 1.049 340 Y CB 1.119 39.515 38.460 -0.108 0.000 1.296 340 Y HN 1.172 nan 8.280 nan 0.000 0.470 341 G N 1.092 109.934 108.800 0.070 0.000 2.622 341 G HA2 -0.379 3.581 3.960 0.000 0.000 0.307 341 G HA3 -0.379 3.581 3.960 0.000 0.000 0.307 341 G C 0.871 175.757 174.900 -0.024 0.000 1.226 341 G CA 0.830 45.893 45.100 -0.063 0.000 0.997 341 G HN 1.204 nan 8.290 nan 0.000 0.551 342 H N 1.504 120.502 119.070 -0.120 0.000 2.547 342 H HA 0.310 4.866 4.556 0.000 0.000 0.266 342 H C 1.715 177.081 175.328 0.064 0.000 0.988 342 H CA 0.949 56.891 56.048 -0.178 0.000 1.147 342 H CB -0.121 29.251 29.762 -0.651 0.000 1.365 342 H HN 0.841 nan 8.280 nan 0.000 0.589 343 G N 1.338 110.146 108.800 0.013 0.000 3.949 343 G HA2 0.323 4.283 3.960 0.000 0.000 0.295 343 G HA3 0.323 4.283 3.960 0.000 0.000 0.295 343 G C -0.434 174.518 174.900 0.087 0.000 1.286 343 G CA -0.256 44.899 45.100 0.092 0.000 1.171 343 G HN 0.309 nan 8.290 nan 0.000 0.586 344 C N -0.477 118.905 119.300 0.137 0.000 2.423 344 C HA 0.521 4.981 4.460 0.000 0.000 0.378 344 C C 0.589 175.646 174.990 0.112 0.000 1.244 344 C CA -0.968 58.105 59.018 0.092 0.000 1.978 344 C CB 1.722 29.518 27.740 0.093 0.000 2.252 344 C HN 0.521 nan 8.230 nan 0.000 0.526 345 E N 0.566 120.809 120.200 0.072 0.000 2.383 345 E HA 0.151 4.501 4.350 0.000 0.000 0.264 345 E C -0.213 176.436 176.600 0.081 0.000 1.050 345 E CA 0.083 56.528 56.400 0.074 0.000 0.896 345 E CB 0.532 30.265 29.700 0.055 0.000 0.982 345 E HN 0.412 nan 8.360 nan 0.000 0.424 346 R N 2.031 122.576 120.500 0.076 0.000 2.590 346 R HA 0.037 4.377 4.340 0.000 0.000 0.274 346 R C -0.132 176.194 176.300 0.043 0.000 1.061 346 R CA 0.039 56.172 56.100 0.055 0.000 1.081 346 R CB -0.047 30.273 30.300 0.034 0.000 0.984 346 R HN 0.627 nan 8.270 nan 0.000 0.448 347 N N 0.060 118.783 118.700 0.038 0.000 2.696 347 N HA -0.245 4.495 4.740 0.000 0.000 0.256 347 N C -0.792 174.744 175.510 0.043 0.000 1.031 347 N CA 1.015 54.092 53.050 0.044 0.000 0.730 347 N CB -0.444 38.068 38.487 0.041 0.000 0.894 347 N HN 0.614 nan 8.380 nan 0.000 0.544 348 S N -1.444 114.275 115.700 0.030 0.000 3.888 348 S HA 0.765 5.235 4.470 0.000 0.000 0.307 348 S C -1.571 172.984 174.600 -0.075 0.000 1.122 348 S CA -0.254 57.941 58.200 -0.008 0.000 1.197 348 S CB 1.570 64.778 63.200 0.013 0.000 1.533 348 S HN 0.107 nan 8.310 nan 0.000 0.696 349 V N 2.079 121.885 119.914 -0.180 0.000 2.925 349 V HA 0.692 4.812 4.120 0.000 0.000 0.311 349 V C 0.046 176.049 176.094 -0.151 0.000 1.104 349 V CA -0.044 62.129 62.300 -0.212 0.000 0.954 349 V CB 2.023 33.559 31.823 -0.478 0.000 1.022 349 V HN 1.112 nan 8.190 nan 0.000 0.427 350 S N 4.866 120.519 115.700 -0.078 0.000 2.641 350 S HA 0.365 4.835 4.470 0.000 0.000 0.261 350 S C 1.168 175.659 174.600 -0.182 0.000 1.257 350 S CA -0.379 57.754 58.200 -0.112 0.000 0.983 350 S CB 0.521 63.698 63.200 -0.038 0.000 0.990 350 S HN 0.619 nan 8.310 nan 0.000 0.572 351 L N 0.125 121.122 121.223 -0.377 0.000 2.261 351 L HA -0.070 4.270 4.340 0.000 0.000 0.216 351 L C 2.516 179.319 176.870 -0.111 0.000 1.114 351 L CA 1.373 56.003 54.840 -0.351 0.000 0.777 351 L CB -0.825 40.824 42.059 -0.685 0.000 0.910 351 L HN 0.901 nan 8.230 nan 0.000 0.440 352 A N -0.725 122.091 122.820 -0.006 0.000 2.307 352 A HA 0.385 4.705 4.320 0.000 0.000 0.218 352 A C 1.682 179.323 177.584 0.095 0.000 1.228 352 A CA 0.574 52.701 52.037 0.150 0.000 0.857 352 A CB -0.194 18.977 19.000 0.286 0.000 0.897 352 A HN 0.474 nan 8.150 nan 0.000 0.495 353 G N -1.041 107.775 108.800 0.028 0.000 2.143 353 G HA2 -0.218 3.742 3.960 0.000 0.000 0.249 353 G HA3 -0.218 3.742 3.960 0.000 0.000 0.249 353 G C 0.035 174.946 174.900 0.018 0.000 0.981 353 G CA 0.411 45.515 45.100 0.006 0.000 0.665 353 G HN 0.448 nan 8.290 nan 0.000 0.528 354 L N 1.967 123.232 121.223 0.070 0.000 2.334 354 L HA 0.473 4.814 4.340 0.000 0.000 0.277 354 L C -1.503 175.423 176.870 0.094 0.000 1.075 354 L CA -2.389 52.525 54.840 0.123 0.000 0.804 354 L CB 1.319 43.539 42.059 0.269 0.000 1.174 354 L HN -0.077 nan 8.230 nan 0.000 0.438 355 P HA 0.083 nan 4.420 nan 0.000 0.271 355 P C -0.692 176.714 177.300 0.175 0.000 1.218 355 P CA -0.261 62.875 63.100 0.059 0.000 0.780 355 P CB 0.833 32.521 31.700 -0.020 0.000 0.901 356 T N -1.197 113.438 114.554 0.134 0.000 2.940 356 T HA 0.526 4.876 4.350 0.000 0.000 0.288 356 T C 0.501 175.289 174.700 0.146 0.000 1.033 356 T CA -0.637 61.572 62.100 0.181 0.000 1.033 356 T CB 0.848 69.802 68.868 0.143 0.000 1.079 356 T HN 0.450 nan 8.240 nan 0.000 0.496 357 S N 0.892 116.676 115.700 0.140 0.000 2.661 357 S HA 0.218 4.689 4.470 0.000 0.000 0.265 357 S C 0.535 175.103 174.600 -0.054 0.000 1.225 357 S CA -0.380 57.833 58.200 0.021 0.000 0.986 357 S CB 0.066 63.222 63.200 -0.072 0.000 1.008 357 S HN 0.680 nan 8.310 nan 0.000 0.565 358 D N -0.238 120.074 120.400 -0.146 0.000 2.265 358 D HA -0.014 4.626 4.640 0.000 0.000 0.208 358 D C 0.871 177.054 176.300 -0.195 0.000 0.977 358 D CA 0.991 54.887 54.000 -0.173 0.000 0.871 358 D CB -0.315 40.334 40.800 -0.253 0.000 0.925 358 D HN 0.509 nan 8.370 nan 0.000 0.485 359 F N -0.182 119.493 119.950 -0.459 0.000 2.727 359 F HA 0.297 4.824 4.527 0.000 0.000 0.302 359 F C 1.618 177.180 175.800 -0.397 0.000 1.097 359 F CA 0.132 57.765 58.000 -0.611 0.000 1.330 359 F CB 0.286 38.455 39.000 -1.385 0.000 1.084 359 F HN 0.038 nan 8.300 nan 0.000 0.578 360 G N -0.214 108.598 108.800 0.020 0.000 2.149 360 G HA2 -0.271 3.689 3.960 0.000 0.000 0.235 360 G HA3 -0.271 3.689 3.960 0.000 0.000 0.235 360 G C -0.398 174.729 174.900 0.378 0.000 1.018 360 G CA -0.176 45.030 45.100 0.176 0.000 0.728 360 G HN 0.122 nan 8.290 nan 0.000 0.508 361 W N 0.827 122.202 121.300 0.126 0.000 2.433 361 W HA 0.638 5.299 4.660 0.000 0.000 0.315 361 W C 0.445 177.078 176.519 0.190 0.000 1.087 361 W CA -2.212 55.207 57.345 0.122 0.000 1.205 361 W CB 0.696 30.202 29.460 0.077 0.000 1.288 361 W HN 0.310 nan 8.180 nan 0.000 0.504 362 E N 2.322 122.764 120.200 0.403 0.000 2.360 362 E HA 0.048 4.398 4.350 0.000 0.000 0.269 362 E C -0.855 176.052 176.600 0.512 0.000 1.022 362 E CA -0.510 56.117 56.400 0.378 0.000 0.887 362 E CB 0.588 30.452 29.700 0.273 0.000 0.990 362 E HN 0.275 nan 8.360 nan 0.000 0.426 363 F N 5.663 125.851 119.950 0.397 0.000 2.494 363 F HA 0.163 4.691 4.527 0.000 0.000 0.369 363 F C -0.757 175.331 175.800 0.479 0.000 1.098 363 F CA 0.236 58.512 58.000 0.461 0.000 1.154 363 F CB 0.102 39.308 39.000 0.343 0.000 1.103 363 F HN 0.423 nan 8.300 nan 0.000 0.549 364 F N 9.671 129.669 119.950 0.080 0.000 2.824 364 F HA 0.341 4.868 4.527 0.000 0.000 0.368 364 F C -2.135 173.691 175.800 0.044 0.000 1.398 364 F CA -1.810 56.265 58.000 0.125 0.000 1.142 364 F CB 0.474 39.603 39.000 0.216 0.000 1.997 364 F HN 0.214 nan 8.300 nan 0.000 0.598 365 P HA -0.129 nan 4.420 nan 0.000 0.221 365 P C 0.975 177.968 177.300 -0.511 0.000 1.150 365 P CA 1.281 63.893 63.100 -0.813 0.000 0.800 365 P CB 0.421 31.480 31.700 -1.070 0.000 0.787 366 E N 0.412 120.246 120.200 -0.610 0.000 2.160 366 E HA -0.113 4.237 4.350 0.000 0.000 0.195 366 E C 2.366 178.806 176.600 -0.266 0.000 0.991 366 E CA 1.549 57.664 56.400 -0.475 0.000 0.810 366 E CB -1.706 27.598 29.700 -0.661 0.000 0.742 366 E HN 0.297 nan 8.360 nan 0.000 0.466 367 G N 0.831 109.525 108.800 -0.176 0.000 2.475 367 G HA2 -0.261 3.700 3.960 0.000 0.000 0.220 367 G HA3 -0.261 3.700 3.960 0.000 0.000 0.220 367 G C 1.455 176.097 174.900 -0.430 0.000 1.125 367 G CA 0.857 46.027 45.100 0.117 0.000 0.755 367 G HN 0.257 nan 8.290 nan 0.000 0.565 368 L N -0.563 120.200 121.223 -0.766 0.000 2.093 368 L HA 0.075 4.416 4.340 0.000 0.000 0.208 368 L C 2.439 179.167 176.870 -0.238 0.000 1.085 368 L CA 1.540 55.939 54.840 -0.734 0.000 0.755 368 L CB -0.841 40.969 42.059 -0.414 0.000 0.904 368 L HN 0.363 nan 8.230 nan 0.000 0.435 369 Y N 0.309 120.464 120.300 -0.241 0.000 2.145 369 Y HA -0.271 4.279 4.550 0.000 0.000 0.286 369 Y C 2.390 178.243 175.900 -0.079 0.000 1.145 369 Y CA 2.081 60.094 58.100 -0.146 0.000 1.148 369 Y CB -0.422 37.940 38.460 -0.163 0.000 0.981 369 Y HN 0.475 nan 8.280 nan 0.000 0.507 370 D N -0.382 120.025 120.400 0.011 0.000 2.106 370 D HA -0.217 4.424 4.640 0.000 0.000 0.191 370 D C 2.090 178.351 176.300 -0.065 0.000 0.997 370 D CA 2.298 56.295 54.000 -0.006 0.000 0.834 370 D CB -0.417 40.448 40.800 0.107 0.000 0.956 370 D HN 0.243 nan 8.370 nan 0.000 0.448 371 V N 0.263 120.146 119.914 -0.052 0.000 2.295 371 V HA -0.205 3.915 4.120 0.000 0.000 0.246 371 V C 2.696 178.859 176.094 0.114 0.000 1.049 371 V CA 1.441 63.758 62.300 0.027 0.000 1.024 371 V CB -0.562 31.309 31.823 0.080 0.000 0.648 371 V HN 0.313 nan 8.190 nan 0.000 0.447 372 L N 0.490 121.733 121.223 0.033 0.000 2.017 372 L HA -0.187 4.153 4.340 0.000 0.000 0.208 372 L C 2.815 179.715 176.870 0.050 0.000 1.073 372 L CA 2.219 57.101 54.840 0.070 0.000 0.745 372 L CB -1.062 40.985 42.059 -0.019 0.000 0.894 372 L HN 0.597 nan 8.230 nan 0.000 0.432 373 T N -3.443 111.020 114.554 -0.153 0.000 2.857 373 T HA -0.111 4.240 4.350 0.000 0.000 0.266 373 T C 1.888 176.590 174.700 0.004 0.000 1.048 373 T CA 0.492 62.511 62.100 -0.135 0.000 1.139 373 T CB -0.131 68.472 68.868 -0.443 0.000 0.874 373 T HN 0.137 nan 8.240 nan 0.000 0.455 374 K N 0.440 120.848 120.400 0.014 0.000 2.057 374 K HA -0.054 4.267 4.320 0.000 0.000 0.207 374 K C 2.076 178.742 176.600 0.110 0.000 1.049 374 K CA 1.281 57.616 56.287 0.078 0.000 0.931 374 K CB -0.578 32.017 32.500 0.158 0.000 0.714 374 K HN 0.447 nan 8.250 nan 0.000 0.440 375 Y N 0.204 120.614 120.300 0.183 0.000 2.163 375 Y HA -0.216 4.335 4.550 0.000 0.000 0.288 375 Y C 2.329 178.237 175.900 0.012 0.000 1.136 375 Y CA 1.131 59.329 58.100 0.163 0.000 1.147 375 Y CB -0.471 38.068 38.460 0.132 0.000 0.987 375 Y HN 0.281 nan 8.280 nan 0.000 0.509 376 W N 1.245 122.549 121.300 0.008 0.000 2.335 376 W HA -0.272 4.388 4.660 0.000 0.000 0.311 376 W C 1.341 177.548 176.519 -0.521 0.000 1.213 376 W CA 1.884 59.119 57.345 -0.183 0.000 1.274 376 W CB -0.373 29.001 29.460 -0.142 0.000 1.148 376 W HN 0.123 nan 8.180 nan 0.000 0.498 377 N N 0.458 118.902 118.700 -0.427 0.000 2.309 377 N HA -0.164 4.577 4.740 0.000 0.000 0.182 377 N C 1.826 176.965 175.510 -0.618 0.000 1.018 377 N CA 1.425 54.144 53.050 -0.552 0.000 0.876 377 N CB -0.651 37.707 38.487 -0.214 0.000 0.972 377 N HN 0.326 nan 8.380 nan 0.000 0.434 378 R N -0.840 119.253 120.500 -0.679 0.000 2.080 378 R HA 0.006 4.346 4.340 0.000 0.000 0.222 378 R C 0.851 176.680 176.300 -0.783 0.000 1.107 378 R CA 1.089 56.636 56.100 -0.921 0.000 0.980 378 R CB 0.125 29.476 30.300 -1.582 0.000 0.879 378 R HN 0.177 nan 8.270 nan 0.000 0.439 379 Y N -1.933 118.155 120.300 -0.354 0.000 2.467 379 Y HA 0.238 4.789 4.550 0.000 0.000 0.259 379 Y C -0.213 175.558 175.900 -0.214 0.000 1.084 379 Y CA -0.199 57.778 58.100 -0.204 0.000 1.275 379 Y CB 0.284 38.681 38.460 -0.106 0.000 1.208 379 Y HN 0.132 nan 8.280 nan 0.000 0.511 380 H N -0.323 118.490 119.070 -0.428 0.000 2.741 380 H HA -0.159 4.397 4.556 0.000 0.000 0.305 380 H C -0.714 174.447 175.328 -0.278 0.000 1.169 380 H CA 0.495 56.008 56.048 -0.891 0.000 1.144 380 H CB -2.032 27.247 29.762 -0.805 0.000 1.397 380 H HN 0.191 nan 8.280 nan 0.000 0.409 381 L N 0.982 122.265 121.223 0.100 0.000 2.322 381 L HA 0.316 4.657 4.340 0.000 0.000 0.279 381 L C 0.955 178.092 176.870 0.446 0.000 1.036 381 L CA -1.370 53.619 54.840 0.247 0.000 0.807 381 L CB 0.620 42.739 42.059 0.100 0.000 1.226 381 L HN 0.235 nan 8.230 nan 0.000 0.433 382 Y N 1.428 121.961 120.300 0.389 0.000 2.511 382 Y HA 0.482 5.032 4.550 0.000 0.000 0.347 382 Y C -0.345 175.661 175.900 0.178 0.000 1.257 382 Y CA -0.822 57.424 58.100 0.244 0.000 1.469 382 Y CB 0.398 38.902 38.460 0.073 0.000 1.353 382 Y HN 0.434 nan 8.280 nan 0.000 0.617 383 M N 2.545 122.225 119.600 0.133 0.000 2.619 383 M HA 0.441 4.921 4.480 0.000 0.000 0.297 383 M C -1.760 174.479 176.300 -0.102 0.000 1.229 383 M CA -0.666 54.676 55.300 0.069 0.000 0.860 383 M CB 2.382 35.027 32.600 0.076 0.000 1.741 383 M HN 0.682 nan 8.290 nan 0.000 0.462 384 Y N -0.033 120.338 120.300 0.118 0.000 2.429 384 Y HA 0.518 5.069 4.550 0.000 0.000 0.342 384 Y C -0.290 175.664 175.900 0.089 0.000 1.004 384 Y CA -0.918 57.192 58.100 0.016 0.000 1.075 384 Y CB 1.738 40.129 38.460 -0.114 0.000 1.214 384 Y HN 0.270 nan 8.280 nan 0.000 0.455 385 V N 2.992 123.056 119.914 0.251 0.000 2.370 385 V HA 0.039 4.159 4.120 0.000 0.000 0.257 385 V C 0.655 176.821 176.094 0.121 0.000 1.064 385 V CA 0.312 62.735 62.300 0.204 0.000 0.975 385 V CB 0.115 32.113 31.823 0.292 0.000 1.067 385 V HN 1.053 nan 8.190 nan 0.000 0.485 386 T N 0.897 115.537 114.554 0.143 0.000 3.065 386 T HA 0.181 4.531 4.350 0.000 0.000 0.252 386 T C 0.427 175.183 174.700 0.094 0.000 1.099 386 T CA 0.098 62.270 62.100 0.122 0.000 1.063 386 T CB 0.400 69.390 68.868 0.203 0.000 0.948 386 T HN 0.636 nan 8.240 nan 0.000 0.506 387 E N 0.731 120.950 120.200 0.032 0.000 2.397 387 E HA 0.321 4.671 4.350 0.000 0.000 0.293 387 E C -1.986 174.530 176.600 -0.140 0.000 0.930 387 E CA -0.629 55.777 56.400 0.010 0.000 0.793 387 E CB 1.366 31.038 29.700 -0.046 0.000 1.259 387 E HN 0.253 nan 8.360 nan 0.000 0.406 388 N N 3.110 121.754 118.700 -0.094 0.000 2.864 388 N HA 0.458 5.198 4.740 0.000 0.000 0.247 388 N C -1.208 174.343 175.510 0.067 0.000 1.071 388 N CA 0.173 53.199 53.050 -0.039 0.000 1.056 388 N CB 1.818 40.427 38.487 0.203 0.000 1.661 388 N HN 0.691 nan 8.380 nan 0.000 0.570 389 G N 1.872 110.893 108.800 0.369 0.000 2.348 389 G HA2 0.432 4.392 3.960 0.000 0.000 0.296 389 G HA3 0.432 4.392 3.960 0.000 0.000 0.296 389 G C -2.031 172.942 174.900 0.122 0.000 1.258 389 G CA -0.518 44.696 45.100 0.190 0.000 0.868 389 G HN 0.583 nan 8.290 nan 0.000 0.488 390 I N -0.341 120.237 120.570 0.013 0.000 2.775 390 I HA 0.653 4.823 4.170 0.000 0.000 0.295 390 I C -0.326 175.280 176.117 -0.851 0.000 1.287 390 I CA -1.096 59.944 61.300 -0.434 0.000 1.029 390 I CB 1.997 39.644 38.000 -0.588 0.000 1.282 390 I HN 1.082 nan 8.210 nan 0.000 0.426 391 A N 4.473 126.515 122.820 -1.297 0.000 2.395 391 A HA 0.503 4.824 4.320 0.000 0.000 0.286 391 A C -0.637 176.626 177.584 -0.536 0.000 1.193 391 A CA 0.238 51.550 52.037 -1.208 0.000 0.852 391 A CB -0.092 18.249 19.000 -1.098 0.000 1.118 391 A HN 0.609 nan 8.150 nan 0.000 0.524 392 D N 2.225 122.404 120.400 -0.367 0.000 2.668 392 D HA 0.064 4.705 4.640 0.000 0.000 0.234 392 D C 0.132 176.322 176.300 -0.182 0.000 1.349 392 D CA -0.334 53.540 54.000 -0.210 0.000 0.889 392 D CB 0.614 41.342 40.800 -0.121 0.000 1.520 392 D HN 0.419 nan 8.370 nan 0.000 0.521 393 D N 1.799 122.087 120.400 -0.187 0.000 2.144 393 D HA -0.058 4.582 4.640 0.000 0.000 0.200 393 D C 1.760 177.931 176.300 -0.215 0.000 0.978 393 D CA 1.478 55.382 54.000 -0.160 0.000 0.833 393 D CB 0.322 41.045 40.800 -0.130 0.000 0.961 393 D HN 0.377 nan 8.370 nan 0.000 0.470 394 A N -0.227 122.387 122.820 -0.344 0.000 2.119 394 A HA -0.005 4.315 4.320 0.000 0.000 0.217 394 A C 1.056 178.337 177.584 -0.505 0.000 1.153 394 A CA 1.362 53.041 52.037 -0.597 0.000 0.692 394 A CB -0.209 18.021 19.000 -1.282 0.000 0.799 394 A HN 0.287 nan 8.150 nan 0.000 0.458 395 D N -4.474 115.756 120.400 -0.283 0.000 3.068 395 D HA -0.197 4.443 4.640 0.000 0.000 0.218 395 D C 0.254 176.595 176.300 0.069 0.000 1.145 395 D CA 1.020 54.974 54.000 -0.077 0.000 0.896 395 D CB -1.661 39.122 40.800 -0.028 0.000 1.105 395 D HN 0.482 nan 8.370 nan 0.000 0.423 396 Y N 0.057 120.409 120.300 0.086 0.000 2.163 396 Y HA -0.015 4.536 4.550 0.000 0.000 0.288 396 Y C 2.582 178.611 175.900 0.216 0.000 1.136 396 Y CA 1.611 59.785 58.100 0.123 0.000 1.147 396 Y CB -0.478 38.029 38.460 0.078 0.000 0.987 396 Y HN 0.313 nan 8.280 nan 0.000 0.509 397 Q N -0.875 119.145 119.800 0.368 0.000 2.373 397 Q HA 0.004 4.345 4.340 0.000 0.000 0.210 397 Q C 2.276 178.574 176.000 0.497 0.000 0.913 397 Q CA 0.048 56.097 55.803 0.410 0.000 0.911 397 Q CB 0.067 29.000 28.738 0.325 0.000 1.040 397 Q HN 0.344 nan 8.270 nan 0.000 0.521 398 R N 1.147 121.851 120.500 0.340 0.000 2.103 398 R HA -0.145 4.195 4.340 0.000 0.000 0.242 398 R C -0.866 175.626 176.300 0.321 0.000 1.142 398 R CA 1.552 57.849 56.100 0.328 0.000 0.960 398 R CB -0.758 29.652 30.300 0.184 0.000 0.858 398 R HN 0.129 nan 8.270 nan 0.000 0.439 399 P HA -0.173 nan 4.420 nan 0.000 0.215 399 P C 0.531 177.862 177.300 0.052 0.000 1.157 399 P CA 1.544 64.668 63.100 0.040 0.000 0.874 399 P CB -0.147 31.479 31.700 -0.123 0.000 0.790 400 Y N -2.914 117.523 120.300 0.227 0.000 2.200 400 Y HA -0.196 4.355 4.550 0.000 0.000 0.290 400 Y C 2.606 178.818 175.900 0.519 0.000 1.137 400 Y CA 1.234 59.498 58.100 0.275 0.000 1.163 400 Y CB -1.413 37.159 38.460 0.185 0.000 0.988 400 Y HN -0.061 nan 8.280 nan 0.000 0.518 401 Y N 0.253 120.991 120.300 0.730 0.000 2.145 401 Y HA -0.275 4.276 4.550 0.000 0.000 0.286 401 Y C 2.389 178.625 175.900 0.560 0.000 1.145 401 Y CA 1.354 59.884 58.100 0.717 0.000 1.148 401 Y CB -0.647 38.159 38.460 0.577 0.000 0.981 401 Y HN 0.145 nan 8.280 nan 0.000 0.507 402 L N -0.532 121.051 121.223 0.599 0.000 1.970 402 L HA -0.185 4.155 4.340 0.000 0.000 0.212 402 L C 2.276 179.284 176.870 0.230 0.000 1.071 402 L CA 2.001 57.069 54.840 0.381 0.000 0.751 402 L CB -1.174 40.965 42.059 0.134 0.000 0.889 402 L HN 0.133 nan 8.230 nan 0.000 0.432 403 V N -0.658 119.363 119.914 0.177 0.000 2.343 403 V HA -0.264 3.856 4.120 0.000 0.000 0.247 403 V C 2.579 178.755 176.094 0.137 0.000 1.051 403 V CA 1.875 64.242 62.300 0.112 0.000 1.036 403 V CB -0.761 31.083 31.823 0.035 0.000 0.654 403 V HN 0.541 nan 8.190 nan 0.000 0.451 404 S N -0.922 114.879 115.700 0.169 0.000 2.368 404 S HA -0.224 4.246 4.470 0.000 0.000 0.225 404 S C 1.863 176.444 174.600 -0.032 0.000 1.030 404 S CA 1.765 60.011 58.200 0.076 0.000 0.999 404 S CB -0.376 62.869 63.200 0.076 0.000 0.844 404 S HN 0.733 nan 8.310 nan 0.000 0.459 405 H N 0.227 119.292 119.070 -0.009 0.000 2.395 405 H HA 0.124 4.680 4.556 0.000 0.000 0.299 405 H C 2.078 177.434 175.328 0.047 0.000 1.070 405 H CA 1.036 57.089 56.048 0.008 0.000 1.356 405 H CB -0.325 29.472 29.762 0.058 0.000 1.401 405 H HN 0.123 nan 8.280 nan 0.000 0.524 406 V N 0.509 120.471 119.914 0.079 0.000 2.343 406 V HA -0.301 3.819 4.120 0.000 0.000 0.247 406 V C 2.049 178.297 176.094 0.257 0.000 1.051 406 V CA 1.931 64.255 62.300 0.040 0.000 1.036 406 V CB -0.643 31.169 31.823 -0.018 0.000 0.654 406 V HN 0.478 nan 8.190 nan 0.000 0.451 407 Y N 1.218 121.541 120.300 0.038 0.000 2.165 407 Y HA -0.262 4.288 4.550 0.000 0.000 0.286 407 Y C 2.634 178.483 175.900 -0.084 0.000 1.155 407 Y CA 1.829 59.856 58.100 -0.122 0.000 1.164 407 Y CB -0.286 38.006 38.460 -0.281 0.000 0.978 407 Y HN 0.234 nan 8.280 nan 0.000 0.513 408 Q N -0.202 119.474 119.800 -0.206 0.000 2.170 408 Q HA -0.132 4.209 4.340 0.000 0.000 0.203 408 Q C 2.531 178.481 176.000 -0.083 0.000 0.976 408 Q CA 1.627 57.284 55.803 -0.244 0.000 0.858 408 Q CB -0.818 27.841 28.738 -0.131 0.000 0.907 408 Q HN 0.507 nan 8.270 nan 0.000 0.433 409 V N 0.833 120.785 119.914 0.064 0.000 2.343 409 V HA -0.254 3.867 4.120 0.000 0.000 0.247 409 V C 2.423 178.550 176.094 0.055 0.000 1.051 409 V CA 1.860 64.261 62.300 0.169 0.000 1.036 409 V CB -0.816 31.233 31.823 0.377 0.000 0.654 409 V HN 0.467 nan 8.190 nan 0.000 0.451 410 H N 0.540 119.524 119.070 -0.144 0.000 2.352 410 H HA -0.148 4.408 4.556 0.000 0.000 0.299 410 H C 2.626 177.703 175.328 -0.419 0.000 1.097 410 H CA 1.926 57.651 56.048 -0.539 0.000 1.311 410 H CB 0.051 29.382 29.762 -0.719 0.000 1.377 410 H HN 0.254 nan 8.280 nan 0.000 0.504 411 R N 0.128 120.421 120.500 -0.344 0.000 2.083 411 R HA -0.135 4.205 4.340 0.000 0.000 0.237 411 R C 2.514 178.815 176.300 0.001 0.000 1.137 411 R CA 1.182 57.118 56.100 -0.273 0.000 0.951 411 R CB -0.554 29.477 30.300 -0.447 0.000 0.851 411 R HN 0.368 nan 8.270 nan 0.000 0.434 412 A N 1.151 124.012 122.820 0.069 0.000 1.883 412 A HA -0.166 4.155 4.320 0.000 0.000 0.217 412 A C 2.228 179.719 177.584 -0.155 0.000 1.186 412 A CA 1.384 53.405 52.037 -0.026 0.000 0.624 412 A CB -0.560 18.382 19.000 -0.096 0.000 0.822 412 A HN 0.237 nan 8.150 nan 0.000 0.444 413 I N 0.032 120.472 120.570 -0.216 0.000 2.226 413 I HA -0.287 3.883 4.170 0.000 0.000 0.245 413 I C 2.517 178.463 176.117 -0.285 0.000 1.100 413 I CA 1.556 62.682 61.300 -0.290 0.000 1.374 413 I CB -0.501 37.294 38.000 -0.342 0.000 1.057 413 I HN 0.518 nan 8.210 nan 0.000 0.413 414 N N 0.957 119.476 118.700 -0.302 0.000 2.205 414 N HA -0.203 4.537 4.740 0.000 0.000 0.186 414 N C 1.845 177.294 175.510 -0.102 0.000 1.015 414 N CA 1.869 54.791 53.050 -0.214 0.000 0.862 414 N CB 0.075 38.452 38.487 -0.183 0.000 0.986 414 N HN 0.400 nan 8.380 nan 0.000 0.429 415 S N -1.330 114.337 115.700 -0.055 0.000 2.561 415 S HA 0.208 4.678 4.470 0.000 0.000 0.225 415 S C 1.369 175.943 174.600 -0.044 0.000 0.977 415 S CA 0.845 59.048 58.200 0.006 0.000 0.926 415 S CB 0.279 63.544 63.200 0.109 0.000 0.769 415 S HN 0.521 nan 8.310 nan 0.000 0.533 416 G N 0.310 109.021 108.800 -0.149 0.000 2.211 416 G HA2 0.000 3.960 3.960 0.000 0.000 0.201 416 G HA3 0.000 3.960 3.960 0.000 0.000 0.201 416 G C 0.207 174.759 174.900 -0.580 0.000 0.997 416 G CA -0.249 44.739 45.100 -0.187 0.000 0.652 416 G HN 1.190 nan 8.290 nan 0.000 0.500 417 A N 0.499 122.855 122.820 -0.774 0.000 2.477 417 A HA 0.490 4.810 4.320 0.000 0.000 0.246 417 A C 0.187 177.146 177.584 -1.042 0.000 1.078 417 A CA 0.592 51.808 52.037 -1.369 0.000 0.770 417 A CB 0.376 19.000 19.000 -0.627 0.000 1.011 417 A HN 0.297 nan 8.150 nan 0.000 0.494 418 D N 2.567 122.141 120.400 -1.376 0.000 2.422 418 D HA 0.383 5.023 4.640 0.000 0.000 0.227 418 D C -0.833 175.318 176.300 -0.247 0.000 1.190 418 D CA 0.233 53.870 54.000 -0.606 0.000 0.905 418 D CB 0.291 40.849 40.800 -0.403 0.000 1.034 418 D HN 0.119 nan 8.370 nan 0.000 0.507 419 V N 5.378 125.202 119.914 -0.151 0.000 2.487 419 V HA 0.418 4.538 4.120 0.000 0.000 0.298 419 V C 1.176 177.281 176.094 0.018 0.000 1.028 419 V CA -0.710 61.577 62.300 -0.022 0.000 0.860 419 V CB 1.947 33.840 31.823 0.117 0.000 0.991 419 V HN 0.411 nan 8.190 nan 0.000 0.427 420 R N 2.371 122.671 120.500 -0.334 0.000 2.437 420 R HA 0.511 4.851 4.340 0.000 0.000 0.257 420 R C 0.608 176.369 176.300 -0.898 0.000 0.927 420 R CA 0.335 56.108 56.100 -0.545 0.000 1.078 420 R CB 1.485 31.321 30.300 -0.773 0.000 1.161 420 R HN 0.861 nan 8.270 nan 0.000 0.529 421 G N -0.081 108.146 108.800 -0.955 0.000 2.523 421 G HA2 0.261 4.221 3.960 0.000 0.000 0.291 421 G HA3 0.261 4.221 3.960 0.000 0.000 0.291 421 G C -2.398 172.248 174.900 -0.423 0.000 1.450 421 G CA -0.569 43.859 45.100 -1.120 0.000 0.790 421 G HN 0.061 nan 8.290 nan 0.000 0.496 422 Y N 0.455 120.530 120.300 -0.376 0.000 2.331 422 Y HA 0.712 5.262 4.550 0.000 0.000 0.326 422 Y C -1.617 174.442 175.900 0.265 0.000 1.020 422 Y CA -1.096 57.084 58.100 0.132 0.000 1.136 422 Y CB 1.585 40.259 38.460 0.356 0.000 1.157 422 Y HN 0.410 nan 8.280 nan 0.000 0.444 423 L N 6.823 127.915 121.223 -0.219 0.000 2.316 423 L HA 0.340 4.680 4.340 0.000 0.000 0.280 423 L C -0.445 176.339 176.870 -0.142 0.000 1.006 423 L CA -0.678 54.145 54.840 -0.028 0.000 0.836 423 L CB 0.898 42.959 42.059 0.004 0.000 1.221 423 L HN 0.695 nan 8.230 nan 0.000 0.418 424 H N 2.774 121.809 119.070 -0.059 0.000 2.732 424 H HA 0.088 4.644 4.556 0.000 0.000 0.351 424 H C -1.046 174.417 175.328 0.224 0.000 1.090 424 H CA 0.271 56.327 56.048 0.013 0.000 1.431 424 H CB 0.745 30.527 29.762 0.035 0.000 1.447 424 H HN 0.597 nan 8.280 nan 0.000 0.582 425 W N 6.496 127.643 121.300 -0.255 0.000 2.283 425 W HA 0.419 5.079 4.660 0.000 0.000 0.317 425 W C -1.050 175.502 176.519 0.056 0.000 1.042 425 W CA -0.309 57.026 57.345 -0.016 0.000 1.348 425 W CB 1.015 30.486 29.460 0.019 0.000 1.216 425 W HN 0.521 nan 8.180 nan 0.000 0.404 426 S N 3.682 119.330 115.700 -0.086 0.000 2.720 426 S HA 0.309 4.780 4.470 0.000 0.000 0.287 426 S C 0.348 174.915 174.600 -0.055 0.000 1.168 426 S CA -0.654 57.366 58.200 -0.301 0.000 0.832 426 S CB 1.255 63.872 63.200 -0.972 0.000 1.166 426 S HN 0.463 nan 8.310 nan 0.000 0.493 427 L N 2.197 123.315 121.223 -0.174 0.000 2.012 427 L HA 0.352 4.692 4.340 0.000 0.000 0.210 427 L C 0.651 177.297 176.870 -0.374 0.000 1.073 427 L CA 2.479 57.051 54.840 -0.446 0.000 0.748 427 L CB -0.781 40.587 42.059 -1.153 0.000 0.891 427 L HN 0.744 nan 8.230 nan 0.000 0.431 428 A N -1.796 120.845 122.820 -0.298 0.000 2.479 428 A HA 0.525 4.845 4.320 0.000 0.000 0.296 428 A C -1.029 176.498 177.584 -0.095 0.000 1.121 428 A CA -0.842 51.037 52.037 -0.263 0.000 0.743 428 A CB 0.465 19.187 19.000 -0.463 0.000 1.323 428 A HN 0.152 nan 8.150 nan 0.000 0.415 429 D N 0.917 121.291 120.400 -0.045 0.000 2.443 429 D HA 0.319 4.959 4.640 0.000 0.000 0.234 429 D C 0.072 176.513 176.300 0.236 0.000 1.172 429 D CA 1.237 55.306 54.000 0.114 0.000 0.878 429 D CB 0.338 41.197 40.800 0.097 0.000 1.204 429 D HN 0.708 nan 8.370 nan 0.000 0.453 430 N N -1.019 117.899 118.700 0.365 0.000 3.039 430 N HA 0.166 4.906 4.740 0.000 0.000 0.257 430 N C -1.613 174.127 175.510 0.384 0.000 1.497 430 N CA -0.923 52.366 53.050 0.398 0.000 0.861 430 N CB 0.280 38.879 38.487 0.187 0.000 1.479 430 N HN 0.253 nan 8.380 nan 0.000 0.547 431 Y N 0.461 120.770 120.300 0.014 0.000 2.587 431 Y HA 0.240 4.790 4.550 0.000 0.000 0.344 431 Y C 0.203 175.813 175.900 -0.483 0.000 1.061 431 Y CA -0.189 57.632 58.100 -0.465 0.000 1.370 431 Y CB 0.497 38.550 38.460 -0.679 0.000 1.163 431 Y HN 0.695 nan 8.280 nan 0.000 0.527 432 E N 6.705 126.557 120.200 -0.579 0.000 2.261 432 E HA 0.160 4.511 4.350 0.000 0.000 0.308 432 E C -0.549 175.841 176.600 -0.350 0.000 1.400 432 E CA 0.010 56.212 56.400 -0.331 0.000 1.542 432 E CB -0.620 29.085 29.700 0.007 0.000 1.369 432 E HN 0.727 nan 8.360 nan 0.000 0.493 433 W N 0.823 121.860 121.300 -0.438 0.000 1.922 433 W HA -0.469 4.191 4.660 0.000 0.000 0.275 433 W C 1.827 178.267 176.519 -0.131 0.000 1.129 433 W CA 0.899 58.060 57.345 -0.307 0.000 1.077 433 W CB -1.655 27.725 29.460 -0.133 0.000 0.883 433 W HN 0.316 nan 8.180 nan 0.000 0.546 434 A N -0.403 122.766 122.820 0.583 0.000 2.070 434 A HA -0.076 4.245 4.320 0.000 0.000 0.220 434 A C 1.755 179.455 177.584 0.194 0.000 1.159 434 A CA 2.261 54.580 52.037 0.470 0.000 0.656 434 A CB -0.916 18.450 19.000 0.611 0.000 0.800 434 A HN 0.446 nan 8.150 nan 0.000 0.453 435 S N -1.233 114.544 115.700 0.127 0.000 2.489 435 S HA 0.366 4.836 4.470 0.000 0.000 0.228 435 S C 1.356 175.829 174.600 -0.212 0.000 0.995 435 S CA 0.755 58.942 58.200 -0.022 0.000 0.934 435 S CB -0.409 62.762 63.200 -0.049 0.000 0.771 435 S HN 1.528 nan 8.310 nan 0.000 0.522 436 G N 1.311 109.824 108.800 -0.478 0.000 2.553 436 G HA2 -0.264 3.696 3.960 0.000 0.000 0.242 436 G HA3 -0.264 3.696 3.960 0.000 0.000 0.242 436 G C 0.163 174.689 174.900 -0.622 0.000 1.277 436 G CA 0.032 44.708 45.100 -0.708 0.000 0.910 436 G HN 0.301 nan 8.290 nan 0.000 0.576 437 F N 2.051 121.893 119.950 -0.181 0.000 2.780 437 F HA 0.165 4.693 4.527 0.000 0.000 0.299 437 F C 2.888 178.641 175.800 -0.077 0.000 1.146 437 F CA 1.409 59.312 58.000 -0.162 0.000 1.428 437 F CB 0.072 38.836 39.000 -0.393 0.000 1.115 437 F HN 0.515 nan 8.300 nan 0.000 0.583 438 S N -0.620 115.091 115.700 0.017 0.000 2.447 438 S HA -0.056 4.414 4.470 0.000 0.000 0.233 438 S C 1.046 175.587 174.600 -0.097 0.000 1.006 438 S CA 0.521 58.708 58.200 -0.023 0.000 0.957 438 S CB -0.325 62.831 63.200 -0.073 0.000 0.773 438 S HN 0.055 nan 8.310 nan 0.000 0.507 439 M N 2.707 122.211 119.600 -0.160 0.000 2.108 439 M HA 0.375 4.855 4.480 0.000 0.000 0.347 439 M C -0.328 175.981 176.300 0.015 0.000 1.326 439 M CA 0.365 55.523 55.300 -0.237 0.000 1.126 439 M CB 0.415 32.729 32.600 -0.477 0.000 1.606 439 M HN 0.201 nan 8.290 nan 0.000 0.462 440 R N 2.541 122.997 120.500 -0.074 0.000 2.275 440 R HA 0.340 4.680 4.340 0.000 0.000 0.326 440 R C -0.221 176.073 176.300 -0.010 0.000 0.973 440 R CA -0.178 55.954 56.100 0.054 0.000 0.854 440 R CB 0.806 31.111 30.300 0.009 0.000 1.156 440 R HN 0.525 nan 8.270 nan 0.000 0.487 441 F N 0.336 120.335 119.950 0.082 0.000 2.727 441 F HA 0.214 4.741 4.527 0.000 0.000 0.302 441 F C 1.678 177.520 175.800 0.070 0.000 1.097 441 F CA -0.285 57.789 58.000 0.123 0.000 1.330 441 F CB 0.743 39.937 39.000 0.323 0.000 1.084 441 F HN 0.540 nan 8.300 nan 0.000 0.578 442 G N 0.274 109.167 108.800 0.154 0.000 2.442 442 G HA2 0.273 4.233 3.960 0.000 0.000 0.249 442 G HA3 0.273 4.233 3.960 0.000 0.000 0.249 442 G C 0.904 175.809 174.900 0.007 0.000 1.263 442 G CA -0.423 44.695 45.100 0.030 0.000 0.846 442 G HN 0.253 nan 8.290 nan 0.000 0.555 443 L N 0.856 122.056 121.223 -0.040 0.000 2.201 443 L HA 0.066 4.406 4.340 0.000 0.000 0.212 443 L C 0.899 177.635 176.870 -0.224 0.000 1.105 443 L CA 0.808 55.567 54.840 -0.135 0.000 0.775 443 L CB -0.400 41.535 42.059 -0.207 0.000 0.913 443 L HN 0.305 nan 8.230 nan 0.000 0.440 444 L N 0.048 121.105 121.223 -0.277 0.000 2.307 444 L HA 0.333 4.673 4.340 0.000 0.000 0.284 444 L C 0.019 176.783 176.870 -0.176 0.000 1.023 444 L CA -0.493 54.174 54.840 -0.288 0.000 0.810 444 L CB 1.543 43.334 42.059 -0.447 0.000 1.231 444 L HN -0.082 nan 8.230 nan 0.000 0.423 445 K N 2.248 122.599 120.400 -0.082 0.000 2.249 445 K HA 0.446 4.767 4.320 0.000 0.000 0.280 445 K C -1.006 175.548 176.600 -0.077 0.000 1.033 445 K CA -0.478 55.774 56.287 -0.058 0.000 0.946 445 K CB 1.261 33.749 32.500 -0.020 0.000 1.005 445 K HN 0.374 nan 8.250 nan 0.000 0.469 446 V N 4.159 123.944 119.914 -0.216 0.000 2.394 446 V HA 0.068 4.189 4.120 0.000 0.000 0.282 446 V C -0.340 175.519 176.094 -0.391 0.000 1.031 446 V CA -0.770 61.293 62.300 -0.395 0.000 0.881 446 V CB 1.382 32.739 31.823 -0.777 0.000 0.982 446 V HN 0.825 nan 8.190 nan 0.000 0.451 447 D N 3.499 123.790 120.400 -0.181 0.000 2.339 447 D HA 0.145 4.785 4.640 0.000 0.000 0.241 447 D C 0.359 176.543 176.300 -0.193 0.000 1.183 447 D CA -0.054 53.884 54.000 -0.104 0.000 0.859 447 D CB 0.874 41.725 40.800 0.086 0.000 1.067 447 D HN 0.488 nan 8.370 nan 0.000 0.484 448 Y N 2.718 122.961 120.300 -0.094 0.000 2.509 448 Y HA -0.033 4.518 4.550 0.000 0.000 0.293 448 Y C 1.817 177.645 175.900 -0.120 0.000 1.133 448 Y CA 0.659 58.655 58.100 -0.173 0.000 1.283 448 Y CB -0.199 38.049 38.460 -0.354 0.000 1.001 448 Y HN 0.499 nan 8.280 nan 0.000 0.555 449 N N -1.148 117.580 118.700 0.046 0.000 2.216 449 N HA -0.118 4.622 4.740 0.000 0.000 0.183 449 N C 1.593 177.111 175.510 0.013 0.000 1.017 449 N CA 1.744 54.809 53.050 0.025 0.000 0.861 449 N CB -0.100 38.400 38.487 0.021 0.000 0.986 449 N HN 0.309 nan 8.380 nan 0.000 0.428 450 T N -2.986 111.570 114.554 0.002 0.000 2.975 450 T HA 0.242 4.592 4.350 0.000 0.000 0.257 450 T C 0.399 175.085 174.700 -0.023 0.000 1.003 450 T CA -0.308 61.788 62.100 -0.007 0.000 0.932 450 T CB 0.433 69.298 68.868 -0.005 0.000 1.087 450 T HN -0.116 nan 8.240 nan 0.000 0.512 451 K N 0.255 120.631 120.400 -0.039 0.000 3.407 451 K HA -0.185 4.135 4.320 0.000 0.000 0.312 451 K C 0.271 176.812 176.600 -0.099 0.000 1.302 451 K CA 0.648 56.902 56.287 -0.055 0.000 0.931 451 K CB -1.992 30.517 32.500 0.015 0.000 1.257 451 K HN 0.653 nan 8.250 nan 0.000 0.454 452 R N 1.147 121.573 120.500 -0.124 0.000 2.543 452 R HA 0.308 4.648 4.340 0.000 0.000 0.277 452 R C 0.036 176.162 176.300 -0.290 0.000 1.074 452 R CA -0.135 55.831 56.100 -0.222 0.000 1.076 452 R CB 0.417 30.559 30.300 -0.265 0.000 0.993 452 R HN 0.130 nan 8.270 nan 0.000 0.459 453 L N 5.040 126.048 121.223 -0.357 0.000 2.295 453 L HA 0.409 4.749 4.340 0.000 0.000 0.285 453 L C -0.977 175.684 176.870 -0.348 0.000 1.035 453 L CA -0.801 53.846 54.840 -0.321 0.000 0.806 453 L CB 1.065 42.909 42.059 -0.359 0.000 1.214 453 L HN 0.600 nan 8.230 nan 0.000 0.426 454 Y N -0.078 120.179 120.300 -0.072 0.000 2.468 454 Y HA 0.356 4.907 4.550 0.000 0.000 0.342 454 Y C -0.674 175.270 175.900 0.074 0.000 1.021 454 Y CA -0.562 57.565 58.100 0.045 0.000 1.079 454 Y CB 1.621 40.082 38.460 0.002 0.000 1.226 454 Y HN 0.415 nan 8.280 nan 0.000 0.460 455 W N 4.019 125.357 121.300 0.063 0.000 2.416 455 W HA 0.466 5.126 4.660 0.000 0.000 0.318 455 W C 0.201 176.735 176.519 0.026 0.000 1.150 455 W CA -0.947 56.405 57.345 0.012 0.000 1.392 455 W CB 0.275 29.734 29.460 -0.003 0.000 1.311 455 W HN 0.295 nan 8.180 nan 0.000 0.436 456 R N 4.358 124.930 120.500 0.120 0.000 2.694 456 R HA 0.021 4.361 4.340 0.000 0.000 0.268 456 R C -1.263 175.110 176.300 0.122 0.000 1.061 456 R CA -1.055 55.093 56.100 0.079 0.000 1.133 456 R CB -0.007 30.298 30.300 0.009 0.000 1.020 456 R HN 0.182 nan 8.270 nan 0.000 0.475 457 P HA -0.163 nan 4.420 nan 0.000 0.217 457 P C 0.749 178.110 177.300 0.102 0.000 1.148 457 P CA 1.379 64.546 63.100 0.113 0.000 0.828 457 P CB 0.220 31.973 31.700 0.087 0.000 0.783 458 S N -0.434 115.307 115.700 0.068 0.000 2.400 458 S HA -0.184 4.286 4.470 0.000 0.000 0.232 458 S C 2.026 176.651 174.600 0.042 0.000 1.025 458 S CA 1.351 59.576 58.200 0.043 0.000 0.993 458 S CB -1.009 62.202 63.200 0.018 0.000 0.808 458 S HN 0.192 nan 8.310 nan 0.000 0.478 459 A N 1.498 124.337 122.820 0.031 0.000 1.933 459 A HA -0.002 4.318 4.320 0.000 0.000 0.218 459 A C 2.085 179.800 177.584 0.218 0.000 1.175 459 A CA 1.094 53.116 52.037 -0.025 0.000 0.628 459 A CB -0.657 18.131 19.000 -0.355 0.000 0.814 459 A HN 0.470 nan 8.150 nan 0.000 0.444 460 L N -0.591 120.836 121.223 0.339 0.000 2.046 460 L HA -0.154 4.187 4.340 0.000 0.000 0.208 460 L C 2.490 179.472 176.870 0.185 0.000 1.077 460 L CA 1.013 56.041 54.840 0.314 0.000 0.747 460 L CB -0.660 41.527 42.059 0.214 0.000 0.896 460 L HN 0.231 nan 8.230 nan 0.000 0.432 461 V N -1.096 118.900 119.914 0.137 0.000 2.343 461 V HA -0.321 3.799 4.120 0.000 0.000 0.247 461 V C 2.286 178.456 176.094 0.126 0.000 1.051 461 V CA 1.738 64.096 62.300 0.096 0.000 1.036 461 V CB -0.706 31.150 31.823 0.056 0.000 0.654 461 V HN 0.354 nan 8.190 nan 0.000 0.451 462 Y N 1.152 121.432 120.300 -0.034 0.000 2.224 462 Y HA -0.175 4.375 4.550 0.000 0.000 0.289 462 Y C 2.729 178.596 175.900 -0.055 0.000 1.146 462 Y CA 1.775 59.826 58.100 -0.081 0.000 1.182 462 Y CB -0.476 37.923 38.460 -0.102 0.000 0.983 462 Y HN 0.149 nan 8.280 nan 0.000 0.524 463 R N 0.140 120.681 120.500 0.068 0.000 2.081 463 R HA -0.158 4.182 4.340 0.000 0.000 0.235 463 R C 2.001 178.290 176.300 -0.019 0.000 1.131 463 R CA 1.667 57.787 56.100 0.033 0.000 0.960 463 R CB -0.064 30.369 30.300 0.221 0.000 0.856 463 R HN 0.211 nan 8.270 nan 0.000 0.436 464 E N 0.763 120.971 120.200 0.013 0.000 2.058 464 E HA -0.210 4.140 4.350 0.000 0.000 0.194 464 E C 2.069 178.629 176.600 -0.067 0.000 0.997 464 E CA 1.473 57.869 56.400 -0.006 0.000 0.801 464 E CB -0.262 29.451 29.700 0.021 0.000 0.746 464 E HN 0.475 nan 8.360 nan 0.000 0.450 465 I N 0.941 121.432 120.570 -0.133 0.000 2.142 465 I HA -0.260 3.910 4.170 0.000 0.000 0.240 465 I C 2.521 178.360 176.117 -0.463 0.000 1.078 465 I CA 1.230 62.351 61.300 -0.299 0.000 1.343 465 I CB -0.382 37.376 38.000 -0.403 0.000 1.046 465 I HN 0.005 nan 8.210 nan 0.000 0.405 466 A N 0.858 123.367 122.820 -0.519 0.000 1.873 466 A HA -0.213 4.107 4.320 0.000 0.000 0.215 466 A C 2.457 179.993 177.584 -0.080 0.000 1.186 466 A CA 2.403 54.220 52.037 -0.367 0.000 0.616 466 A CB -1.251 17.508 19.000 -0.401 0.000 0.823 466 A HN 0.529 nan 8.150 nan 0.000 0.442 467 T N -2.202 112.313 114.554 -0.065 0.000 2.867 467 T HA -0.093 4.257 4.350 0.000 0.000 0.268 467 T C 1.455 176.174 174.700 0.031 0.000 1.057 467 T CA 1.426 63.529 62.100 0.006 0.000 1.136 467 T CB -0.456 68.418 68.868 0.011 0.000 0.874 467 T HN 0.446 nan 8.240 nan 0.000 0.466 468 N N 1.215 119.925 118.700 0.017 0.000 2.422 468 N HA 0.134 4.874 4.740 0.000 0.000 0.181 468 N C 1.500 177.079 175.510 0.114 0.000 1.080 468 N CA 0.759 53.841 53.050 0.053 0.000 0.893 468 N CB 0.052 38.562 38.487 0.038 0.000 0.973 468 N HN 0.693 nan 8.380 nan 0.000 0.456 469 G N 0.981 109.871 108.800 0.150 0.000 2.249 469 G HA2 -0.153 3.807 3.960 0.000 0.000 0.273 469 G HA3 -0.153 3.807 3.960 0.000 0.000 0.273 469 G C -0.048 175.104 174.900 0.421 0.000 1.036 469 G CA 0.640 45.942 45.100 0.337 0.000 0.824 469 G HN 0.676 nan 8.290 nan 0.000 0.504 470 A N -1.175 121.806 122.820 0.270 0.000 2.605 470 A HA 0.701 5.022 4.320 0.000 0.000 0.294 470 A C -0.305 177.398 177.584 0.198 0.000 1.062 470 A CA -0.628 51.613 52.037 0.341 0.000 0.682 470 A CB 0.859 19.982 19.000 0.205 0.000 1.278 470 A HN 0.807 nan 8.150 nan 0.000 0.410 471 I N 2.877 123.617 120.570 0.283 0.000 2.421 471 I HA 0.195 4.365 4.170 0.000 0.000 0.291 471 I C 1.207 177.398 176.117 0.123 0.000 1.089 471 I CA 0.130 61.543 61.300 0.189 0.000 1.354 471 I CB 0.774 38.942 38.000 0.280 0.000 1.413 471 I HN 0.758 nan 8.210 nan 0.000 0.513 472 T N 0.732 115.329 114.554 0.072 0.000 2.828 472 T HA 0.096 4.446 4.350 0.000 0.000 0.290 472 T C 0.900 175.619 174.700 0.032 0.000 1.019 472 T CA -0.764 61.359 62.100 0.040 0.000 1.031 472 T CB 1.157 70.044 68.868 0.032 0.000 1.001 472 T HN 0.449 nan 8.240 nan 0.000 0.531 473 D N 0.804 121.206 120.400 0.004 0.000 2.133 473 D HA -0.143 4.497 4.640 0.000 0.000 0.195 473 D C 2.168 178.490 176.300 0.037 0.000 0.997 473 D CA 1.445 55.444 54.000 -0.001 0.000 0.840 473 D CB -0.096 40.694 40.800 -0.018 0.000 0.947 473 D HN 0.817 nan 8.370 nan 0.000 0.452 474 E N 0.752 120.977 120.200 0.042 0.000 2.268 474 E HA -0.124 4.226 4.350 0.000 0.000 0.195 474 E C 2.100 178.781 176.600 0.136 0.000 0.995 474 E CA 0.548 56.983 56.400 0.060 0.000 0.836 474 E CB -0.431 29.292 29.700 0.039 0.000 0.763 474 E HN 0.550 nan 8.360 nan 0.000 0.491 475 I N -2.570 118.079 120.570 0.131 0.000 4.025 475 I HA 0.295 4.466 4.170 0.000 0.000 0.336 475 I C 1.650 177.803 176.117 0.060 0.000 1.390 475 I CA -0.292 61.088 61.300 0.134 0.000 1.099 475 I CB 0.271 38.299 38.000 0.046 0.000 1.049 475 I HN -0.223 nan 8.210 nan 0.000 0.394 476 E N 2.048 122.325 120.200 0.128 0.000 2.265 476 E HA -0.238 4.113 4.350 0.000 0.000 0.196 476 E C 1.963 178.596 176.600 0.054 0.000 0.996 476 E CA 1.360 57.814 56.400 0.091 0.000 0.832 476 E CB -0.098 29.661 29.700 0.098 0.000 0.756 476 E HN 0.754 nan 8.360 nan 0.000 0.491 477 H N -0.172 118.905 119.070 0.013 0.000 2.491 477 H HA -0.090 4.466 4.556 0.000 0.000 0.290 477 H C 1.752 177.106 175.328 0.044 0.000 1.050 477 H CA 0.684 56.747 56.048 0.024 0.000 1.309 477 H CB -0.425 29.351 29.762 0.024 0.000 1.392 477 H HN 0.241 nan 8.280 nan 0.000 0.554 478 L N 0.930 121.767 121.223 -0.643 0.000 2.551 478 L HA -0.033 4.307 4.340 0.000 0.000 0.228 478 L C 1.385 178.222 176.870 -0.055 0.000 1.153 478 L CA 0.250 54.807 54.840 -0.471 0.000 0.851 478 L CB -0.386 41.339 42.059 -0.557 0.000 0.959 478 L HN 0.304 nan 8.230 nan 0.000 0.451 479 N N 1.076 119.746 118.700 -0.050 0.000 3.103 479 N HA 0.021 4.761 4.740 0.000 0.000 0.305 479 N C -0.568 174.950 175.510 0.013 0.000 1.232 479 N CA -0.012 53.015 53.050 -0.037 0.000 1.190 479 N CB 0.167 38.521 38.487 -0.223 0.000 1.461 479 N HN 0.242 nan 8.380 nan 0.000 0.538 480 S N -0.899 114.902 115.700 0.169 0.000 2.636 480 S HA 0.266 4.736 4.470 0.000 0.000 0.268 480 S C -0.690 173.975 174.600 0.108 0.000 1.159 480 S CA -0.907 57.377 58.200 0.140 0.000 0.815 480 S CB 1.220 64.495 63.200 0.124 0.000 1.130 480 S HN -0.086 nan 8.310 nan 0.000 0.471 481 V N 2.435 122.283 119.914 -0.110 0.000 2.555 481 V HA 0.356 4.476 4.120 0.000 0.000 0.286 481 V C -2.257 173.387 176.094 -0.750 0.000 1.044 481 V CA -1.407 60.569 62.300 -0.540 0.000 1.026 481 V CB 0.345 31.991 31.823 -0.295 0.000 0.981 481 V HN 0.751 nan 8.190 nan 0.000 0.480 482 P HA 0.093 nan 4.420 nan 0.000 0.261 482 P C -2.550 174.384 177.300 -0.610 0.000 1.183 482 P CA -0.692 61.713 63.100 -1.159 0.000 0.761 482 P CB -0.290 30.994 31.700 -0.694 0.000 0.785 483 P HA -0.085 nan 4.420 nan 0.000 0.262 483 P C 1.088 178.281 177.300 -0.179 0.000 1.199 483 P CA 0.264 63.224 63.100 -0.234 0.000 0.763 483 P CB 0.310 31.925 31.700 -0.143 0.000 0.790 484 V N 2.243 122.079 119.914 -0.130 0.000 2.788 484 V HA -0.137 3.984 4.120 0.000 0.000 0.251 484 V C 2.193 178.258 176.094 -0.049 0.000 1.068 484 V CA 1.570 63.817 62.300 -0.088 0.000 1.090 484 V CB -0.990 30.790 31.823 -0.071 0.000 0.710 484 V HN 0.364 nan 8.190 nan 0.000 0.467 485 K N 1.870 122.247 120.400 -0.040 0.000 2.044 485 K HA -0.072 4.248 4.320 0.000 0.000 0.210 485 K C 0.264 176.848 176.600 -0.027 0.000 1.049 485 K CA 2.234 58.511 56.287 -0.017 0.000 0.927 485 K CB -2.096 30.395 32.500 -0.016 0.000 0.713 485 K HN 0.754 nan 8.250 nan 0.000 0.443 486 P HA 0.179 nan 4.420 nan 0.000 0.236 486 P C 0.146 177.392 177.300 -0.091 0.000 1.177 486 P CA 0.427 63.483 63.100 -0.073 0.000 0.773 486 P CB -0.017 31.623 31.700 -0.099 0.000 0.878 487 L N -0.590 120.589 121.223 -0.074 0.000 2.439 487 L HA 0.321 4.661 4.340 0.000 0.000 0.259 487 L C 1.120 177.990 176.870 -0.001 0.000 1.129 487 L CA -1.177 53.630 54.840 -0.055 0.000 0.803 487 L CB 0.496 42.528 42.059 -0.045 0.000 1.161 487 L HN -0.179 nan 8.230 nan 0.000 0.462 488 R N 0.277 120.791 120.500 0.022 0.000 2.570 488 R HA 0.058 4.398 4.340 0.000 0.000 0.277 488 R C -0.542 175.811 176.300 0.089 0.000 1.039 488 R CA 0.156 56.290 56.100 0.056 0.000 1.065 488 R CB 0.338 30.673 30.300 0.058 0.000 0.964 488 R HN 0.600 nan 8.270 nan 0.000 0.428 489 H N 0.000 119.073 119.070 0.005 0.000 2.539 489 H HA 0.000 4.556 4.556 0.000 0.000 0.296 489 H CA 0.000 56.052 56.048 0.007 0.000 1.023 489 H CB 0.000 29.763 29.762 0.001 0.000 1.292 489 H HN 0.000 nan 8.280 nan 0.000 0.496