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 1uwr_1_A DATA FIRST_RESID 1 DATA SEQUENCE MYSFPNSFRF GWSQAGFQSE MGTPGSEDPN TDWYKWVHDP ENMAAGLVSG DATA SEQUENCE DLPENGPGYW GNYKTFHDNA QKMGLKIARL NVEWSRIFPN PLPRPQNFDE 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 DAIIRGEITR DATA SEQUENCE GNEKIVRDDL 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 0.000 175.951 176.300 -0.582 0.000 1.140 1 M CA 0.000 55.111 55.300 -0.315 0.000 0.988 1 M CB 0.000 32.497 32.600 -0.172 0.000 1.302 2 Y N 2.176 122.386 120.300 -0.150 0.000 2.363 2 Y HA 0.635 5.185 4.550 -0.000 0.000 0.325 2 Y C -0.250 175.506 175.900 -0.240 0.000 0.984 2 Y CA -0.640 57.193 58.100 -0.445 0.000 1.248 2 Y CB 2.221 40.297 38.460 -0.640 0.000 1.116 2 Y HN 0.627 nan 8.280 nan 0.000 0.470 3 S N 3.529 119.236 115.700 0.011 0.000 2.541 3 S HA 0.622 5.092 4.470 -0.000 0.000 0.283 3 S C -0.772 173.851 174.600 0.038 0.000 1.196 3 S CA -0.517 57.759 58.200 0.127 0.000 1.062 3 S CB 0.527 63.785 63.200 0.096 0.000 1.009 3 S HN 0.361 nan 8.310 nan 0.000 0.502 4 F N 2.166 122.198 119.950 0.136 0.000 2.440 4 F HA 0.482 5.009 4.527 -0.000 0.000 0.328 4 F C -1.775 174.034 175.800 0.016 0.000 1.070 4 F CA -2.060 55.932 58.000 -0.013 0.000 1.011 4 F CB 0.122 39.021 39.000 -0.168 0.000 1.226 4 F HN 0.338 nan 8.300 nan 0.000 0.491 5 P HA -0.029 nan 4.420 nan 0.000 0.269 5 P C 0.282 177.685 177.300 0.170 0.000 1.205 5 P CA 0.209 63.377 63.100 0.113 0.000 0.780 5 P CB 0.526 32.280 31.700 0.090 0.000 0.858 6 N N 0.081 118.847 118.700 0.109 0.000 2.459 6 N HA -0.089 4.651 4.740 -0.000 0.000 0.181 6 N C 1.041 176.603 175.510 0.087 0.000 1.046 6 N CA 1.127 54.238 53.050 0.103 0.000 0.904 6 N CB -0.097 38.429 38.487 0.065 0.000 0.964 6 N HN 0.461 nan 8.380 nan 0.000 0.444 7 S N -0.456 115.286 115.700 0.070 0.000 2.535 7 S HA 0.100 4.570 4.470 -0.000 0.000 0.214 7 S C 0.371 174.964 174.600 -0.011 0.000 0.980 7 S CA -0.632 57.569 58.200 0.002 0.000 0.907 7 S CB -0.324 62.851 63.200 -0.041 0.000 0.790 7 S HN 0.166 nan 8.310 nan 0.000 0.510 8 F N 3.438 123.342 119.950 -0.077 0.000 2.484 8 F HA 0.454 4.981 4.527 -0.000 0.000 0.360 8 F C 0.608 176.292 175.800 -0.193 0.000 1.101 8 F CA -0.492 57.421 58.000 -0.144 0.000 1.251 8 F CB 0.589 39.544 39.000 -0.074 0.000 1.132 8 F HN -0.036 nan 8.300 nan 0.000 0.570 9 R N 5.194 125.308 120.500 -0.643 0.000 2.562 9 R HA 0.430 4.770 4.340 -0.000 0.000 0.298 9 R C -1.660 174.342 176.300 -0.497 0.000 0.961 9 R CA -0.842 55.036 56.100 -0.370 0.000 0.881 9 R CB 1.595 31.734 30.300 -0.269 0.000 1.159 9 R HN 0.477 nan 8.270 nan 0.000 0.450 10 F N 0.551 120.527 119.950 0.045 0.000 2.421 10 F HA 0.650 5.177 4.527 -0.000 0.000 0.337 10 F C 1.048 176.947 175.800 0.165 0.000 1.105 10 F CA 0.078 58.177 58.000 0.165 0.000 1.049 10 F CB 2.064 41.110 39.000 0.077 0.000 1.139 10 F HN 0.683 nan 8.300 nan 0.000 0.479 11 G N 1.738 110.834 108.800 0.494 0.000 2.791 11 G HA2 0.477 4.437 3.960 -0.000 0.000 0.158 11 G HA3 0.477 4.437 3.960 -0.000 0.000 0.158 11 G C -2.220 173.080 174.900 0.666 0.000 1.193 11 G CA -0.488 44.911 45.100 0.498 0.000 1.032 11 G HN 0.754 nan 8.290 nan 0.000 0.557 12 W N -0.264 121.160 121.300 0.208 0.000 3.146 12 W HA 0.814 5.474 4.660 -0.000 0.000 0.319 12 W C -1.152 175.431 176.519 0.107 0.000 1.258 12 W CA -0.847 56.599 57.345 0.167 0.000 1.189 12 W CB 1.195 30.742 29.460 0.146 0.000 1.412 12 W HN 0.574 nan 8.180 nan 0.000 0.567 13 S N 1.773 117.547 115.700 0.124 0.000 2.568 13 S HA 0.660 5.130 4.470 -0.000 0.000 0.302 13 S C -1.275 173.351 174.600 0.042 0.000 1.082 13 S CA -0.706 57.527 58.200 0.055 0.000 1.009 13 S CB 1.846 65.249 63.200 0.339 0.000 1.069 13 S HN 0.549 nan 8.310 nan 0.000 0.500 14 Q N 0.119 119.952 119.800 0.054 0.000 2.482 14 Q HA 0.694 5.034 4.340 -0.000 0.000 0.286 14 Q C -2.048 174.033 176.000 0.135 0.000 1.007 14 Q CA -0.719 55.044 55.803 -0.066 0.000 0.801 14 Q CB 1.970 30.698 28.738 -0.017 0.000 1.455 14 Q HN 0.793 nan 8.270 nan 0.000 0.398 15 A N 0.549 123.411 122.820 0.069 0.000 2.365 15 A HA 0.700 5.020 4.320 -0.000 0.000 0.318 15 A C 0.621 178.225 177.584 0.033 0.000 1.091 15 A CA 0.100 52.082 52.037 -0.091 0.000 0.763 15 A CB 1.268 19.857 19.000 -0.685 0.000 1.248 15 A HN 0.897 nan 8.150 nan 0.000 0.442 16 G N 0.358 109.261 108.800 0.171 0.000 2.459 16 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.217 16 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.217 16 G C 1.244 176.274 174.900 0.217 0.000 1.183 16 G CA 1.561 46.838 45.100 0.295 0.000 0.776 16 G HN 0.776 nan 8.290 nan 0.000 0.552 17 F N 1.400 121.364 119.950 0.023 0.000 2.186 17 F HA -0.009 4.518 4.527 -0.000 0.000 0.299 17 F C 2.917 178.602 175.800 -0.193 0.000 1.090 17 F CA 1.744 59.711 58.000 -0.056 0.000 1.307 17 F CB -0.045 38.924 39.000 -0.051 0.000 1.019 17 F HN 0.207 nan 8.300 nan 0.000 0.489 18 Q N -1.213 118.447 119.800 -0.233 0.000 2.245 18 Q HA -0.059 4.281 4.340 -0.000 0.000 0.201 18 Q C 1.897 177.849 176.000 -0.080 0.000 0.955 18 Q CA 1.512 57.141 55.803 -0.291 0.000 0.870 18 Q CB 0.030 28.593 28.738 -0.291 0.000 0.945 18 Q HN 0.301 nan 8.270 nan 0.000 0.461 19 S N -0.387 115.306 115.700 -0.012 0.000 2.619 19 S HA 0.055 4.525 4.470 -0.000 0.000 0.238 19 S C 1.299 175.995 174.600 0.161 0.000 1.068 19 S CA -0.228 58.026 58.200 0.090 0.000 0.926 19 S CB 0.475 63.680 63.200 0.009 0.000 0.864 19 S HN 0.240 nan 8.310 nan 0.000 0.493 20 E N 1.431 121.733 120.200 0.171 0.000 2.031 20 E HA -0.002 4.348 4.350 -0.000 0.000 0.193 20 E C 0.312 177.010 176.600 0.164 0.000 0.994 20 E CA 0.847 57.408 56.400 0.268 0.000 0.800 20 E CB -0.070 29.787 29.700 0.261 0.000 0.752 20 E HN 0.436 nan 8.360 nan 0.000 0.447 21 M N -0.828 118.786 119.600 0.024 0.000 2.226 21 M HA 0.202 4.682 4.480 -0.000 0.000 0.324 21 M C 0.920 177.263 176.300 0.072 0.000 1.112 21 M CA 0.928 56.223 55.300 -0.008 0.000 1.176 21 M CB 1.201 33.748 32.600 -0.089 0.000 1.430 21 M HN 0.350 nan 8.290 nan 0.000 0.462 22 G N 0.109 108.952 108.800 0.071 0.000 3.110 22 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.205 22 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.205 22 G C 0.022 174.974 174.900 0.086 0.000 1.019 22 G CA -0.059 45.097 45.100 0.094 0.000 0.826 22 G HN 0.753 nan 8.290 nan 0.000 0.481 23 T N 0.823 115.436 114.554 0.098 0.000 2.928 23 T HA 0.639 4.989 4.350 -0.000 0.000 0.284 23 T C -2.881 171.864 174.700 0.076 0.000 1.008 23 T CA -1.734 60.422 62.100 0.092 0.000 1.057 23 T CB 2.057 70.997 68.868 0.121 0.000 1.018 23 T HN 0.023 nan 8.240 nan 0.000 0.493 24 P HA 0.252 nan 4.420 nan 0.000 0.261 24 P C 1.113 178.445 177.300 0.054 0.000 1.183 24 P CA 1.181 64.309 63.100 0.046 0.000 0.761 24 P CB 0.008 31.733 31.700 0.041 0.000 0.785 25 G N 2.616 111.430 108.800 0.023 0.000 2.157 25 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.248 25 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.248 25 G C 0.932 175.802 174.900 -0.050 0.000 0.979 25 G CA 0.432 45.538 45.100 0.010 0.000 0.650 25 G HN 0.594 nan 8.290 nan 0.000 0.529 26 S N -0.622 115.022 115.700 -0.092 0.000 2.548 26 S HA 0.332 4.802 4.470 -0.000 0.000 0.215 26 S C 0.686 175.027 174.600 -0.431 0.000 0.976 26 S CA 0.773 58.753 58.200 -0.366 0.000 0.908 26 S CB 0.472 63.602 63.200 -0.118 0.000 0.781 26 S HN 0.704 nan 8.310 nan 0.000 0.519 27 E N 1.887 121.947 120.200 -0.235 0.000 2.414 27 E HA 0.020 4.370 4.350 -0.000 0.000 0.263 27 E C -1.155 175.277 176.600 -0.280 0.000 1.000 27 E CA 0.106 56.388 56.400 -0.196 0.000 0.914 27 E CB 0.351 29.989 29.700 -0.103 0.000 0.948 27 E HN 0.214 nan 8.360 nan 0.000 0.444 28 D N 5.800 126.034 120.400 -0.276 0.000 2.375 28 D HA 0.206 4.846 4.640 -0.000 0.000 0.259 28 D C -2.094 173.921 176.300 -0.476 0.000 1.235 28 D CA -2.101 51.731 54.000 -0.279 0.000 0.924 28 D CB 1.369 42.071 40.800 -0.164 0.000 1.143 28 D HN 0.219 nan 8.370 nan 0.000 0.529 29 P HA 0.093 nan 4.420 nan 0.000 0.249 29 P C -0.275 176.719 177.300 -0.510 0.000 1.229 29 P CA 0.186 62.513 63.100 -1.288 0.000 0.788 29 P CB -0.013 31.207 31.700 -0.800 0.000 1.072 30 N N 0.101 118.673 118.700 -0.213 0.000 2.376 30 N HA 0.074 4.814 4.740 -0.000 0.000 0.249 30 N C 0.004 175.531 175.510 0.028 0.000 1.140 30 N CA -0.102 52.923 53.050 -0.041 0.000 0.870 30 N CB 0.131 38.623 38.487 0.008 0.000 1.124 30 N HN 0.161 nan 8.380 nan 0.000 0.505 31 T N -3.121 111.492 114.554 0.098 0.000 2.932 31 T HA 0.187 4.537 4.350 -0.000 0.000 0.289 31 T C 0.887 175.663 174.700 0.128 0.000 1.039 31 T CA -0.927 61.243 62.100 0.116 0.000 1.024 31 T CB 1.605 70.595 68.868 0.203 0.000 1.090 31 T HN -0.003 nan 8.240 nan 0.000 0.496 32 D N 0.276 120.694 120.400 0.030 0.000 2.133 32 D HA -0.187 4.453 4.640 -0.000 0.000 0.195 32 D C 1.452 177.775 176.300 0.038 0.000 0.997 32 D CA 1.294 55.259 54.000 -0.058 0.000 0.840 32 D CB -0.671 39.984 40.800 -0.243 0.000 0.947 32 D HN 0.735 nan 8.370 nan 0.000 0.452 33 W N -0.138 121.151 121.300 -0.018 0.000 2.358 33 W HA -0.116 4.544 4.660 0.000 0.000 0.303 33 W C 2.414 179.090 176.519 0.263 0.000 1.208 33 W CA 0.932 58.258 57.345 -0.032 0.000 1.274 33 W CB -0.594 28.549 29.460 -0.529 0.000 1.138 33 W HN 0.003 nan 8.180 nan 0.000 0.515 34 Y N 1.280 121.854 120.300 0.458 0.000 2.145 34 Y HA -0.294 4.256 4.550 -0.000 0.000 0.286 34 Y C 2.560 178.729 175.900 0.448 0.000 1.145 34 Y CA 2.485 60.918 58.100 0.554 0.000 1.148 34 Y CB -0.546 38.142 38.460 0.381 0.000 0.981 34 Y HN -0.154 nan 8.280 nan 0.000 0.507 35 K N -0.295 120.373 120.400 0.447 0.000 2.057 35 K HA -0.240 4.080 4.320 -0.000 0.000 0.206 35 K C 2.291 179.028 176.600 0.227 0.000 1.050 35 K CA 1.484 57.940 56.287 0.282 0.000 0.935 35 K CB -0.800 31.808 32.500 0.179 0.000 0.715 35 K HN 0.615 nan 8.250 nan 0.000 0.439 36 W N 1.866 123.173 121.300 0.012 0.000 2.338 36 W HA -0.225 4.435 4.660 -0.000 0.000 0.304 36 W C 1.607 178.127 176.519 0.003 0.000 1.212 36 W CA 2.176 59.465 57.345 -0.092 0.000 1.264 36 W CB -0.055 29.206 29.460 -0.332 0.000 1.142 36 W HN 0.078 nan 8.180 nan 0.000 0.512 37 V N -2.030 118.030 119.914 0.244 0.000 3.129 37 V HA -0.103 4.017 4.120 -0.000 0.000 0.259 37 V C 1.413 177.431 176.094 -0.126 0.000 1.116 37 V CA 1.790 64.159 62.300 0.115 0.000 1.127 37 V CB -1.045 31.008 31.823 0.382 0.000 0.742 37 V HN 0.083 nan 8.190 nan 0.000 0.474 38 H N 0.301 119.310 119.070 -0.101 0.000 2.539 38 H HA 0.291 4.847 4.556 -0.000 0.000 0.269 38 H C 0.545 175.808 175.328 -0.108 0.000 0.980 38 H CA 0.299 56.272 56.048 -0.125 0.000 1.152 38 H CB -0.034 29.632 29.762 -0.159 0.000 1.407 38 H HN 0.588 nan 8.280 nan 0.000 0.564 39 D N 0.929 121.291 120.400 -0.063 0.000 2.401 39 D HA -0.012 4.628 4.640 -0.000 0.000 0.254 39 D C -1.500 174.720 176.300 -0.134 0.000 1.192 39 D CA -1.556 52.374 54.000 -0.118 0.000 0.885 39 D CB 1.287 41.947 40.800 -0.233 0.000 1.147 39 D HN 0.015 nan 8.370 nan 0.000 0.478 40 P HA -0.152 nan 4.420 nan 0.000 0.215 40 P C 0.708 177.948 177.300 -0.099 0.000 1.153 40 P CA 1.180 64.235 63.100 -0.075 0.000 0.853 40 P CB 0.198 31.871 31.700 -0.046 0.000 0.788 41 E N -0.990 119.140 120.200 -0.118 0.000 2.072 41 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 41 E C 1.879 178.376 176.600 -0.172 0.000 0.985 41 E CA 0.819 57.146 56.400 -0.123 0.000 0.801 41 E CB -0.417 29.214 29.700 -0.115 0.000 0.750 41 E HN 0.190 nan 8.360 nan 0.000 0.452 42 N N 0.467 119.004 118.700 -0.272 0.000 2.104 42 N HA -0.148 4.592 4.740 -0.000 0.000 0.190 42 N C 1.742 177.120 175.510 -0.221 0.000 1.024 42 N CA 1.190 54.025 53.050 -0.359 0.000 0.853 42 N CB -0.135 37.940 38.487 -0.687 0.000 1.008 42 N HN 0.189 nan 8.380 nan 0.000 0.424 43 M N 0.254 119.748 119.600 -0.176 0.000 2.086 43 M HA -0.087 4.393 4.480 -0.000 0.000 0.261 43 M C 2.168 178.422 176.300 -0.077 0.000 1.067 43 M CA 1.596 56.830 55.300 -0.110 0.000 1.116 43 M CB -0.264 32.281 32.600 -0.092 0.000 1.348 43 M HN 0.146 nan 8.290 nan 0.000 0.407 44 A N 0.121 122.896 122.820 -0.076 0.000 1.969 44 A HA 0.022 4.342 4.320 -0.000 0.000 0.218 44 A C 2.242 179.797 177.584 -0.047 0.000 1.169 44 A CA 1.703 53.709 52.037 -0.053 0.000 0.635 44 A CB -0.774 18.197 19.000 -0.049 0.000 0.810 44 A HN 0.513 nan 8.150 nan 0.000 0.445 45 A N -1.637 121.146 122.820 -0.061 0.000 2.167 45 A HA 0.378 4.698 4.320 -0.000 0.000 0.214 45 A C 1.904 179.472 177.584 -0.028 0.000 1.151 45 A CA 1.264 53.274 52.037 -0.046 0.000 0.735 45 A CB -1.005 17.959 19.000 -0.061 0.000 0.802 45 A HN 1.858 nan 8.150 nan 0.000 0.467 46 G N -0.932 107.849 108.800 -0.032 0.000 2.168 46 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.257 46 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.257 46 G C 0.776 175.684 174.900 0.014 0.000 0.997 46 G CA 0.619 45.714 45.100 -0.007 0.000 0.708 46 G HN 0.450 nan 8.290 nan 0.000 0.520 47 L N -0.720 120.496 121.223 -0.011 0.000 2.141 47 L HA 0.125 4.465 4.340 -0.000 0.000 0.209 47 L C 1.763 178.686 176.870 0.088 0.000 1.094 47 L CA 1.641 56.504 54.840 0.038 0.000 0.763 47 L CB -0.321 41.724 42.059 -0.024 0.000 0.908 47 L HN 0.506 nan 8.230 nan 0.000 0.437 48 V N -5.200 114.718 119.914 0.008 0.000 2.960 48 V HA 0.371 4.491 4.120 -0.000 0.000 0.315 48 V C 1.020 177.131 176.094 0.028 0.000 1.087 48 V CA -0.225 62.113 62.300 0.064 0.000 0.982 48 V CB 1.595 33.425 31.823 0.012 0.000 1.039 48 V HN 0.128 nan 8.190 nan 0.000 0.437 49 S N 0.559 116.279 115.700 0.034 0.000 2.428 49 S HA 0.245 4.715 4.470 -0.000 0.000 0.230 49 S C 1.677 176.269 174.600 -0.014 0.000 1.014 49 S CA 1.260 59.459 58.200 -0.002 0.000 0.957 49 S CB -0.126 63.051 63.200 -0.039 0.000 0.784 49 S HN 2.731 nan 8.310 nan 0.000 0.499 50 G N 0.791 109.578 108.800 -0.022 0.000 2.213 50 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.236 50 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.236 50 G C -0.420 174.464 174.900 -0.026 0.000 0.991 50 G CA 0.038 45.115 45.100 -0.038 0.000 0.629 50 G HN 0.553 nan 8.290 nan 0.000 0.517 51 D N 0.639 121.043 120.400 0.007 0.000 2.372 51 D HA 0.568 5.208 4.640 -0.000 0.000 0.243 51 D C 0.773 177.105 176.300 0.054 0.000 1.121 51 D CA 0.319 54.359 54.000 0.067 0.000 0.898 51 D CB 1.024 41.841 40.800 0.028 0.000 1.202 51 D HN 0.373 nan 8.370 nan 0.000 0.428 52 L N 2.756 123.973 121.223 -0.010 0.000 2.365 52 L HA 0.306 4.646 4.340 -0.000 0.000 0.273 52 L C -1.503 175.092 176.870 -0.458 0.000 1.000 52 L CA -1.772 52.895 54.840 -0.289 0.000 0.819 52 L CB 2.498 44.392 42.059 -0.276 0.000 1.284 52 L HN 0.173 nan 8.230 nan 0.000 0.418 53 P HA -0.171 nan 4.420 nan 0.000 0.222 53 P C 0.821 177.920 177.300 -0.335 0.000 1.147 53 P CA 1.056 63.487 63.100 -1.115 0.000 0.790 53 P CB 0.146 30.971 31.700 -1.457 0.000 0.780 54 E N 0.639 120.770 120.200 -0.114 0.000 2.472 54 E HA -0.136 4.214 4.350 -0.000 0.000 0.200 54 E C 0.262 176.892 176.600 0.049 0.000 1.046 54 E CA 0.715 57.130 56.400 0.025 0.000 0.871 54 E CB -1.262 28.518 29.700 0.134 0.000 0.806 54 E HN 0.384 nan 8.360 nan 0.000 0.533 55 N N 0.989 119.740 118.700 0.086 0.000 2.320 55 N HA 0.180 4.920 4.740 -0.000 0.000 0.237 55 N C 0.463 175.943 175.510 -0.050 0.000 1.129 55 N CA 0.110 53.184 53.050 0.041 0.000 0.854 55 N CB 1.073 39.565 38.487 0.008 0.000 1.083 55 N HN 0.206 nan 8.380 nan 0.000 0.504 56 G N 1.298 110.187 108.800 0.148 0.000 2.494 56 G HA2 0.120 4.080 3.960 -0.000 0.000 0.270 56 G HA3 0.120 4.080 3.960 -0.000 0.000 0.270 56 G C -1.382 173.734 174.900 0.360 0.000 1.423 56 G CA -0.726 44.542 45.100 0.280 0.000 1.055 56 G HN -0.044 nan 8.290 nan 0.000 0.536 57 P HA 0.071 nan 4.420 nan 0.000 0.233 57 P C 1.007 178.498 177.300 0.320 0.000 1.167 57 P CA 1.209 64.527 63.100 0.363 0.000 0.770 57 P CB 0.290 32.242 31.700 0.420 0.000 0.837 58 G N -0.009 108.948 108.800 0.262 0.000 2.225 58 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.264 58 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.264 58 G C 0.458 175.471 174.900 0.188 0.000 1.060 58 G CA 0.186 45.414 45.100 0.213 0.000 0.833 58 G HN 0.253 nan 8.290 nan 0.000 0.498 59 Y N -0.785 119.473 120.300 -0.069 0.000 2.256 59 Y HA -0.117 4.433 4.550 -0.000 0.000 0.288 59 Y C 2.386 178.300 175.900 0.024 0.000 1.155 59 Y CA 2.276 60.151 58.100 -0.376 0.000 1.203 59 Y CB -0.170 37.990 38.460 -0.501 0.000 0.980 59 Y HN 0.560 nan 8.280 nan 0.000 0.530 60 W N 0.608 121.870 121.300 -0.063 0.000 2.318 60 W HA -0.222 4.438 4.660 -0.000 0.000 0.313 60 W C 2.055 178.645 176.519 0.119 0.000 1.221 60 W CA 2.058 59.369 57.345 -0.057 0.000 1.266 60 W CB -0.731 28.660 29.460 -0.115 0.000 1.150 60 W HN 0.257 nan 8.180 nan 0.000 0.496 61 G N -0.888 108.032 108.800 0.200 0.000 2.662 61 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.212 61 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.212 61 G C 0.971 175.813 174.900 -0.096 0.000 1.141 61 G CA 0.287 45.438 45.100 0.084 0.000 0.797 61 G HN 0.115 nan 8.290 nan 0.000 0.531 62 N N 0.075 118.716 118.700 -0.098 0.000 2.214 62 N HA 0.085 4.825 4.740 -0.000 0.000 0.214 62 N C 1.434 176.800 175.510 -0.239 0.000 1.132 62 N CA -0.366 52.605 53.050 -0.133 0.000 0.856 62 N CB 0.068 38.617 38.487 0.104 0.000 1.020 62 N HN 0.580 nan 8.380 nan 0.000 0.509 63 Y N 0.786 120.777 120.300 -0.514 0.000 2.283 63 Y HA -0.144 4.406 4.550 -0.000 0.000 0.285 63 Y C 1.775 177.357 175.900 -0.529 0.000 1.176 63 Y CA 1.165 58.758 58.100 -0.845 0.000 1.229 63 Y CB -0.443 37.202 38.460 -1.358 0.000 0.975 63 Y HN -0.122 nan 8.280 nan 0.000 0.537 64 K N 0.119 120.077 120.400 -0.737 0.000 2.057 64 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 64 K C 2.072 178.627 176.600 -0.074 0.000 1.050 64 K CA 1.731 57.816 56.287 -0.337 0.000 0.935 64 K CB -0.372 31.877 32.500 -0.418 0.000 0.715 64 K HN 0.397 nan 8.250 nan 0.000 0.439 65 T N 1.198 115.717 114.554 -0.058 0.000 2.720 65 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 65 T C 1.596 176.367 174.700 0.118 0.000 1.037 65 T CA 1.372 63.494 62.100 0.036 0.000 1.144 65 T CB -0.309 68.573 68.868 0.025 0.000 0.864 65 T HN 0.055 nan 8.240 nan 0.000 0.444 66 F N 1.131 121.056 119.950 -0.040 0.000 2.095 66 F HA -0.067 4.460 4.527 -0.000 0.000 0.298 66 F C 2.417 178.248 175.800 0.050 0.000 1.104 66 F CA 1.077 59.073 58.000 -0.006 0.000 1.232 66 F CB -0.848 38.249 39.000 0.162 0.000 0.987 66 F HN 0.411 nan 8.300 nan 0.000 0.475 67 H N -1.433 117.824 119.070 0.312 0.000 2.428 67 H HA -0.133 4.423 4.556 -0.000 0.000 0.296 67 H C 1.732 177.139 175.328 0.132 0.000 1.062 67 H CA 0.699 56.897 56.048 0.249 0.000 1.350 67 H CB -0.006 29.929 29.762 0.289 0.000 1.403 67 H HN 0.113 nan 8.280 nan 0.000 0.533 68 D N 0.324 120.855 120.400 0.218 0.000 2.104 68 D HA -0.142 4.498 4.640 -0.000 0.000 0.194 68 D C 1.857 178.234 176.300 0.128 0.000 0.994 68 D CA 0.874 54.955 54.000 0.134 0.000 0.830 68 D CB -0.218 40.631 40.800 0.081 0.000 0.959 68 D HN 0.342 nan 8.370 nan 0.000 0.452 69 N N 0.283 119.042 118.700 0.099 0.000 2.216 69 N HA -0.052 4.688 4.740 -0.000 0.000 0.183 69 N C 1.744 177.261 175.510 0.012 0.000 1.017 69 N CA 0.971 54.094 53.050 0.122 0.000 0.861 69 N CB -0.119 38.360 38.487 -0.014 0.000 0.986 69 N HN 0.083 nan 8.380 nan 0.000 0.428 70 A N 1.202 123.962 122.820 -0.099 0.000 1.933 70 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 70 A C 2.182 179.796 177.584 0.049 0.000 1.175 70 A CA 1.476 53.431 52.037 -0.137 0.000 0.628 70 A CB -0.597 18.241 19.000 -0.270 0.000 0.814 70 A HN 0.394 nan 8.150 nan 0.000 0.444 71 Q N -0.442 119.423 119.800 0.108 0.000 2.083 71 Q HA -0.147 4.193 4.340 -0.000 0.000 0.198 71 Q C 1.989 178.062 176.000 0.122 0.000 0.969 71 Q CA 1.608 57.482 55.803 0.118 0.000 0.838 71 Q CB -0.143 28.666 28.738 0.117 0.000 0.900 71 Q HN 0.618 nan 8.270 nan 0.000 0.436 72 K N -0.028 120.469 120.400 0.162 0.000 2.160 72 K HA -0.143 4.177 4.320 -0.000 0.000 0.206 72 K C 1.796 178.567 176.600 0.285 0.000 1.047 72 K CA 1.585 58.000 56.287 0.215 0.000 0.930 72 K CB -0.042 32.644 32.500 0.309 0.000 0.720 72 K HN 0.284 nan 8.250 nan 0.000 0.450 73 M N -0.964 118.787 119.600 0.251 0.000 2.495 73 M HA 0.057 4.537 4.480 -0.000 0.000 0.237 73 M C 0.385 176.701 176.300 0.028 0.000 1.131 73 M CA 0.643 56.037 55.300 0.157 0.000 1.032 73 M CB 0.797 33.332 32.600 -0.108 0.000 1.513 73 M HN 0.363 nan 8.290 nan 0.000 0.488 74 G N 1.406 110.240 108.800 0.055 0.000 2.143 74 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.248 74 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.248 74 G C -0.020 174.900 174.900 0.034 0.000 0.991 74 G CA -0.097 45.025 45.100 0.036 0.000 0.689 74 G HN 0.434 nan 8.290 nan 0.000 0.522 75 L N -0.613 120.643 121.223 0.056 0.000 2.452 75 L HA 0.402 4.742 4.340 -0.000 0.000 0.267 75 L C 1.358 178.331 176.870 0.172 0.000 1.188 75 L CA 0.217 55.138 54.840 0.135 0.000 0.821 75 L CB 0.952 43.161 42.059 0.250 0.000 1.102 75 L HN 0.027 nan 8.230 nan 0.000 0.470 76 K N 2.436 122.939 120.400 0.172 0.000 2.554 76 K HA 0.432 4.752 4.320 -0.000 0.000 0.211 76 K C -0.289 176.372 176.600 0.101 0.000 1.226 76 K CA -0.191 56.169 56.287 0.122 0.000 1.025 76 K CB 0.839 33.391 32.500 0.086 0.000 1.021 76 K HN 0.577 nan 8.250 nan 0.000 0.600 77 I N -0.321 120.315 120.570 0.109 0.000 2.827 77 I HA 0.722 4.892 4.170 -0.000 0.000 0.298 77 I C -2.088 173.980 176.117 -0.081 0.000 1.235 77 I CA -1.079 60.243 61.300 0.036 0.000 1.021 77 I CB 2.128 40.109 38.000 -0.033 0.000 1.259 77 I HN 0.146 nan 8.210 nan 0.000 0.427 78 A N 6.327 129.000 122.820 -0.245 0.000 2.520 78 A HA 0.777 5.097 4.320 -0.000 0.000 0.298 78 A C -1.555 175.803 177.584 -0.376 0.000 1.051 78 A CA -0.675 50.977 52.037 -0.641 0.000 0.690 78 A CB 1.921 20.276 19.000 -1.074 0.000 1.281 78 A HN 0.666 nan 8.150 nan 0.000 0.402 79 R N 2.556 122.807 120.500 -0.415 0.000 2.476 79 R HA 0.713 5.053 4.340 -0.000 0.000 0.305 79 R C -2.385 173.845 176.300 -0.118 0.000 0.965 79 R CA -0.402 55.577 56.100 -0.202 0.000 0.867 79 R CB 0.951 31.165 30.300 -0.144 0.000 1.176 79 R HN 0.602 nan 8.270 nan 0.000 0.447 80 L N 3.322 124.556 121.223 0.018 0.000 2.309 80 L HA 0.522 4.862 4.340 -0.000 0.000 0.261 80 L C -0.514 176.459 176.870 0.171 0.000 1.021 80 L CA -0.684 54.237 54.840 0.135 0.000 0.823 80 L CB 2.140 44.352 42.059 0.254 0.000 1.366 80 L HN 0.797 nan 8.230 nan 0.000 0.423 81 N N 0.341 119.200 118.700 0.264 0.000 2.362 81 N HA 0.532 5.272 4.740 -0.000 0.000 0.299 81 N C -0.938 174.767 175.510 0.326 0.000 1.170 81 N CA -0.582 52.639 53.050 0.286 0.000 0.825 81 N CB 2.045 40.743 38.487 0.353 0.000 1.299 81 N HN 0.334 nan 8.380 nan 0.000 0.502 82 V N -1.536 118.515 119.914 0.229 0.000 2.546 82 V HA 0.390 4.510 4.120 -0.000 0.000 0.284 82 V C 0.258 176.618 176.094 0.444 0.000 1.050 82 V CA -0.681 61.649 62.300 0.050 0.000 0.981 82 V CB 0.855 32.590 31.823 -0.148 0.000 0.990 82 V HN 0.576 nan 8.190 nan 0.000 0.474 83 E N 4.200 124.737 120.200 0.563 0.000 2.129 83 E HA 0.035 4.385 4.350 -0.000 0.000 0.283 83 E C 0.301 177.261 176.600 0.600 0.000 1.080 83 E CA -0.269 56.477 56.400 0.576 0.000 0.867 83 E CB 0.938 30.937 29.700 0.499 0.000 1.056 83 E HN 1.017 nan 8.360 nan 0.000 0.404 84 W N 4.442 125.906 121.300 0.274 0.000 2.290 84 W HA -0.322 4.338 4.660 -0.000 0.000 0.318 84 W C 1.966 178.529 176.519 0.073 0.000 1.248 84 W CA 2.469 59.707 57.345 -0.178 0.000 1.263 84 W CB -0.729 28.469 29.460 -0.438 0.000 1.147 84 W HN 0.519 nan 8.180 nan 0.000 0.494 85 S N 0.412 116.302 115.700 0.317 0.000 2.400 85 S HA -0.209 4.261 4.470 -0.000 0.000 0.232 85 S C 1.864 176.607 174.600 0.239 0.000 1.025 85 S CA 1.489 59.810 58.200 0.202 0.000 0.993 85 S CB -0.700 62.578 63.200 0.132 0.000 0.808 85 S HN 0.454 nan 8.310 nan 0.000 0.478 86 R N 0.309 120.975 120.500 0.278 0.000 2.148 86 R HA 0.174 4.514 4.340 -0.000 0.000 0.223 86 R C 1.780 178.229 176.300 0.248 0.000 1.088 86 R CA 1.019 57.249 56.100 0.217 0.000 0.985 86 R CB -0.324 30.102 30.300 0.211 0.000 0.880 86 R HN 0.409 nan 8.270 nan 0.000 0.451 87 I N -0.270 120.482 120.570 0.304 0.000 2.494 87 I HA -0.029 4.141 4.170 -0.000 0.000 0.250 87 I C 0.501 176.433 176.117 -0.307 0.000 1.112 87 I CA 1.000 62.337 61.300 0.061 0.000 1.438 87 I CB -0.307 37.815 38.000 0.204 0.000 1.111 87 I HN -0.058 nan 8.210 nan 0.000 0.431 88 F N 2.714 122.952 119.950 0.480 0.000 2.449 88 F HA 0.375 4.902 4.527 -0.000 0.000 0.329 88 F C -1.551 174.492 175.800 0.406 0.000 1.245 88 F CA -2.333 55.921 58.000 0.423 0.000 1.193 88 F CB 0.126 39.462 39.000 0.559 0.000 1.425 88 F HN -0.074 nan 8.300 nan 0.000 0.544 89 P HA -0.077 nan 4.420 nan 0.000 0.223 89 P C -0.281 177.157 177.300 0.230 0.000 1.151 89 P CA 0.964 64.229 63.100 0.275 0.000 0.787 89 P CB 0.377 32.165 31.700 0.146 0.000 0.788 90 N N -0.221 118.514 118.700 0.059 0.000 2.404 90 N HA 0.377 5.117 4.740 -0.000 0.000 0.297 90 N C -2.778 172.170 175.510 -0.937 0.000 1.163 90 N CA -2.137 50.769 53.050 -0.241 0.000 0.864 90 N CB 0.865 39.293 38.487 -0.099 0.000 1.247 90 N HN -0.111 nan 8.380 nan 0.000 0.510 91 P HA 0.139 nan 4.420 nan 0.000 0.272 91 P C -0.823 175.755 177.300 -1.203 0.000 1.223 91 P CA -0.056 61.963 63.100 -1.802 0.000 0.784 91 P CB 0.669 31.910 31.700 -0.765 0.000 0.923 92 L N 2.865 123.328 121.223 -1.267 0.000 2.375 92 L HA 0.480 4.820 4.340 -0.000 0.000 0.268 92 L C -1.756 174.791 176.870 -0.538 0.000 1.058 92 L CA -2.232 52.115 54.840 -0.822 0.000 0.803 92 L CB 0.127 41.807 42.059 -0.631 0.000 1.212 92 L HN 0.288 nan 8.230 nan 0.000 0.451 93 P HA 0.068 nan 4.420 nan 0.000 0.265 93 P C -0.396 176.796 177.300 -0.179 0.000 1.193 93 P CA -0.208 62.732 63.100 -0.267 0.000 0.765 93 P CB 0.253 31.827 31.700 -0.211 0.000 0.823 94 R N 4.478 124.906 120.500 -0.120 0.000 2.538 94 R HA 0.204 4.544 4.340 -0.000 0.000 0.282 94 R C -1.774 174.463 176.300 -0.104 0.000 1.009 94 R CA -0.799 55.246 56.100 -0.091 0.000 1.063 94 R CB -1.795 28.479 30.300 -0.044 0.000 0.945 94 R HN 0.530 nan 8.270 nan 0.000 0.414 95 P HA 0.387 nan 4.420 nan 0.000 0.276 95 P C -0.292 176.957 177.300 -0.085 0.000 1.244 95 P CA -0.222 62.773 63.100 -0.174 0.000 0.801 95 P CB 0.747 32.157 31.700 -0.482 0.000 1.006 96 Q N -0.575 119.215 119.800 -0.017 0.000 2.373 96 Q HA 0.408 4.748 4.340 -0.000 0.000 0.255 96 Q C 1.008 177.043 176.000 0.059 0.000 0.980 96 Q CA 0.266 56.083 55.803 0.023 0.000 0.882 96 Q CB -1.531 nan 28.738 nan 0.000 1.249 96 Q HN 0.903 nan 8.270 nan 0.000 0.438 97 N N -0.288 118.451 118.700 0.065 0.000 2.671 97 N HA 0.053 4.793 4.740 -0.000 0.000 0.261 97 N C -0.482 175.124 175.510 0.159 0.000 1.053 97 N CA 1.098 54.200 53.050 0.087 0.000 0.732 97 N CB -1.952 nan 38.487 nan 0.000 0.887 97 N HN 1.764 nan 8.380 nan 0.000 0.546 98 F N 0.652 120.549 119.950 -0.088 0.000 2.689 98 F HA 0.492 5.019 4.527 -0.000 0.000 0.332 98 F C -1.170 174.574 175.800 -0.093 0.000 1.209 98 F CA -1.232 56.689 58.000 -0.131 0.000 1.028 98 F CB 2.065 40.861 39.000 -0.340 0.000 1.291 98 F HN 0.256 nan 8.300 nan 0.000 0.500 99 D N 4.798 124.796 120.400 -0.669 0.000 2.412 99 D HA 0.280 4.920 4.640 -0.000 0.000 0.224 99 D C 0.967 176.812 176.300 -0.759 0.000 1.093 99 D CA 0.585 54.274 54.000 -0.517 0.000 0.850 99 D CB 1.666 42.292 40.800 -0.291 0.000 1.046 99 D HN 0.840 nan 8.370 nan 0.000 0.507 100 E N 1.808 121.686 120.200 -0.535 0.000 2.333 100 E HA -0.147 4.203 4.350 -0.000 0.000 0.198 100 E C 1.633 178.115 176.600 -0.196 0.000 1.007 100 E CA 1.419 57.615 56.400 -0.339 0.000 0.845 100 E CB -0.532 nan 29.700 nan 0.000 0.766 100 E HN 0.528 nan 8.360 nan 0.000 0.507 101 S N -0.660 114.930 115.700 -0.183 0.000 2.501 101 S HA 0.061 4.531 4.470 -0.000 0.000 0.220 101 S C 1.130 175.666 174.600 -0.106 0.000 0.997 101 S CA 0.240 58.372 58.200 -0.113 0.000 0.919 101 S CB 0.018 63.163 63.200 -0.091 0.000 0.778 101 S HN 0.207 nan 8.310 nan 0.000 0.523 102 K N 2.236 122.547 120.400 -0.148 0.000 2.379 102 K HA 0.236 4.556 4.320 -0.000 0.000 0.284 102 K C 1.143 177.721 176.600 -0.036 0.000 1.044 102 K CA -0.163 56.065 56.287 -0.097 0.000 0.974 102 K CB 0.752 33.179 32.500 -0.121 0.000 0.962 102 K HN 0.496 nan 8.250 nan 0.000 0.474 103 Q N 0.802 120.601 119.800 -0.002 0.000 2.084 103 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 103 Q C -0.192 175.910 176.000 0.171 0.000 0.978 103 Q CA 1.541 57.374 55.803 0.051 0.000 0.844 103 Q CB 0.192 28.926 28.738 -0.007 0.000 0.898 103 Q HN 0.622 nan 8.270 nan 0.000 0.426 104 D N -0.566 119.919 120.400 0.142 0.000 2.175 104 D HA 0.220 4.860 4.640 -0.000 0.000 0.248 104 D C -1.078 175.297 176.300 0.125 0.000 1.047 104 D CA -0.205 53.897 54.000 0.169 0.000 0.883 104 D CB 1.920 42.800 40.800 0.132 0.000 1.180 104 D HN -0.198 nan 8.370 nan 0.000 0.438 105 V N 2.362 122.358 119.914 0.136 0.000 2.284 105 V HA 0.157 4.277 4.120 -0.000 0.000 0.274 105 V C 1.312 177.462 176.094 0.093 0.000 1.023 105 V CA -0.436 61.961 62.300 0.160 0.000 0.808 105 V CB 0.803 32.770 31.823 0.241 0.000 1.035 105 V HN 0.759 nan 8.190 nan 0.000 0.445 106 T N 0.105 114.704 114.554 0.076 0.000 3.054 106 T HA 0.197 4.547 4.350 -0.000 0.000 0.259 106 T C 0.444 175.165 174.700 0.034 0.000 1.092 106 T CA 0.362 62.484 62.100 0.037 0.000 1.121 106 T CB 0.672 69.558 68.868 0.029 0.000 0.912 106 T HN 0.583 nan 8.240 nan 0.000 0.489 107 E N -0.201 120.037 120.200 0.063 0.000 2.372 107 E HA 0.549 4.899 4.350 -0.000 0.000 0.279 107 E C -2.213 174.434 176.600 0.078 0.000 0.946 107 E CA -0.841 55.587 56.400 0.048 0.000 0.769 107 E CB 2.743 32.466 29.700 0.040 0.000 1.230 107 E HN 0.016 nan 8.360 nan 0.000 0.442 108 V N 3.350 123.271 119.914 0.013 0.000 2.462 108 V HA 0.219 4.339 4.120 -0.000 0.000 0.288 108 V C -0.480 175.569 176.094 -0.076 0.000 1.020 108 V CA -0.726 61.549 62.300 -0.040 0.000 0.857 108 V CB 1.571 33.266 31.823 -0.213 0.000 1.013 108 V HN 0.657 nan 8.190 nan 0.000 0.431 109 E N 4.814 125.001 120.200 -0.023 0.000 2.257 109 E HA 0.487 4.837 4.350 -0.000 0.000 0.278 109 E C -1.196 175.355 176.600 -0.081 0.000 1.049 109 E CA -0.147 56.230 56.400 -0.038 0.000 0.876 109 E CB 0.844 30.545 29.700 0.001 0.000 1.035 109 E HN 0.592 nan 8.360 nan 0.000 0.419 110 I N 4.496 125.000 120.570 -0.109 0.000 2.533 110 I HA 0.269 4.439 4.170 -0.000 0.000 0.290 110 I C -0.460 175.577 176.117 -0.134 0.000 1.056 110 I CA -0.828 60.389 61.300 -0.139 0.000 1.057 110 I CB 1.791 39.682 38.000 -0.182 0.000 1.240 110 I HN 0.496 nan 8.210 nan 0.000 0.423 111 N N 3.076 121.691 118.700 -0.141 0.000 2.761 111 N HA 0.348 5.088 4.740 -0.000 0.000 0.283 111 N C 0.235 175.618 175.510 -0.211 0.000 1.377 111 N CA -0.899 52.066 53.050 -0.142 0.000 0.791 111 N CB 0.827 39.261 38.487 -0.088 0.000 1.540 111 N HN 0.418 nan 8.380 nan 0.000 0.539 112 E N -0.504 119.580 120.200 -0.194 0.000 2.118 112 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 112 E C 0.543 177.013 176.600 -0.217 0.000 0.992 112 E CA 1.178 57.426 56.400 -0.253 0.000 0.804 112 E CB -0.169 29.464 29.700 -0.113 0.000 0.741 112 E HN 0.471 nan 8.360 nan 0.000 0.458 113 N N 0.586 119.214 118.700 -0.119 0.000 2.084 113 N HA -0.183 4.557 4.740 -0.000 0.000 0.190 113 N C 2.039 177.500 175.510 -0.082 0.000 1.030 113 N CA 1.802 54.809 53.050 -0.071 0.000 0.849 113 N CB -0.648 37.818 38.487 -0.035 0.000 1.012 113 N HN 0.387 nan 8.380 nan 0.000 0.423 114 E N 1.749 121.889 120.200 -0.099 0.000 2.085 114 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 114 E C 2.305 178.830 176.600 -0.125 0.000 0.994 114 E CA 1.195 57.542 56.400 -0.088 0.000 0.801 114 E CB -0.964 28.683 29.700 -0.088 0.000 0.743 114 E HN 0.342 nan 8.360 nan 0.000 0.453 115 L N -0.524 120.538 121.223 -0.268 0.000 2.046 115 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 115 L C 2.876 179.601 176.870 -0.240 0.000 1.077 115 L CA 1.926 56.523 54.840 -0.404 0.000 0.747 115 L CB -0.203 41.180 42.059 -1.127 0.000 0.896 115 L HN 0.242 nan 8.230 nan 0.000 0.432 116 K N -0.660 119.622 120.400 -0.196 0.000 2.097 116 K HA -0.112 4.208 4.320 -0.000 0.000 0.205 116 K C 2.306 178.971 176.600 0.107 0.000 1.050 116 K CA 0.836 57.163 56.287 0.067 0.000 0.938 116 K CB 0.052 32.597 32.500 0.075 0.000 0.718 116 K HN 0.160 nan 8.250 nan 0.000 0.442 117 R N 0.741 121.277 120.500 0.060 0.000 2.073 117 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 117 R C 2.314 178.727 176.300 0.188 0.000 1.134 117 R CA 1.144 57.306 56.100 0.103 0.000 0.952 117 R CB -0.894 29.465 30.300 0.098 0.000 0.850 117 R HN 0.244 nan 8.270 nan 0.000 0.433 118 L N 0.861 122.168 121.223 0.140 0.000 2.042 118 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 118 L C 2.093 179.085 176.870 0.204 0.000 1.076 118 L CA 1.486 56.390 54.840 0.106 0.000 0.749 118 L CB -0.503 41.491 42.059 -0.109 0.000 0.893 118 L HN 0.129 nan 8.230 nan 0.000 0.432 119 D N 0.062 120.636 120.400 0.290 0.000 2.221 119 D HA -0.212 4.428 4.640 -0.000 0.000 0.204 119 D C 1.978 178.426 176.300 0.246 0.000 0.982 119 D CA 1.079 55.337 54.000 0.429 0.000 0.857 119 D CB 0.145 41.303 40.800 0.597 0.000 0.934 119 D HN 0.349 nan 8.370 nan 0.000 0.475 120 E N -1.421 118.839 120.200 0.100 0.000 2.204 120 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 120 E C 1.208 177.681 176.600 -0.212 0.000 0.989 120 E CA 0.681 57.003 56.400 -0.130 0.000 0.824 120 E CB -0.044 29.439 29.700 -0.361 0.000 0.756 120 E HN 0.518 nan 8.360 nan 0.000 0.477 121 Y N 0.098 120.501 120.300 0.172 0.000 2.500 121 Y HA 0.268 4.818 4.550 -0.000 0.000 0.270 121 Y C 0.930 177.023 175.900 0.321 0.000 1.134 121 Y CA -0.160 58.068 58.100 0.213 0.000 1.293 121 Y CB 0.268 38.824 38.460 0.160 0.000 1.063 121 Y HN -0.105 nan 8.280 nan 0.000 0.534 122 A N 1.075 124.144 122.820 0.414 0.000 2.425 122 A HA 0.094 4.414 4.320 -0.000 0.000 0.249 122 A C 0.301 177.933 177.584 0.080 0.000 1.084 122 A CA -0.476 51.591 52.037 0.050 0.000 0.781 122 A CB -0.003 19.003 19.000 0.010 0.000 1.019 122 A HN 0.315 nan 8.150 nan 0.000 0.490 123 N N 1.308 120.025 118.700 0.028 0.000 2.431 123 N HA 0.025 4.765 4.740 -0.000 0.000 0.265 123 N C 0.470 176.055 175.510 0.125 0.000 1.184 123 N CA -0.217 52.889 53.050 0.092 0.000 0.943 123 N CB 0.744 39.291 38.487 0.100 0.000 1.080 123 N HN 0.470 nan 8.380 nan 0.000 0.477 124 K N 2.708 123.177 120.400 0.115 0.000 2.167 124 K HA -0.026 4.294 4.320 -0.000 0.000 0.203 124 K C 0.865 177.539 176.600 0.123 0.000 1.052 124 K CA 0.800 57.156 56.287 0.114 0.000 0.956 124 K CB -0.019 32.531 32.500 0.083 0.000 0.735 124 K HN 0.546 nan 8.250 nan 0.000 0.451 125 D N 1.097 121.570 120.400 0.120 0.000 2.097 125 D HA -0.112 4.528 4.640 -0.000 0.000 0.195 125 D C 1.775 178.196 176.300 0.201 0.000 0.989 125 D CA 1.493 55.574 54.000 0.135 0.000 0.827 125 D CB -0.047 40.824 40.800 0.119 0.000 0.966 125 D HN 0.135 nan 8.370 nan 0.000 0.456 126 A N 0.538 123.501 122.820 0.238 0.000 1.877 126 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 126 A C 2.431 180.256 177.584 0.403 0.000 1.186 126 A CA 0.954 53.203 52.037 0.353 0.000 0.620 126 A CB -0.819 18.382 19.000 0.335 0.000 0.822 126 A HN 0.213 nan 8.150 nan 0.000 0.443 127 L N -0.692 120.744 121.223 0.354 0.000 2.017 127 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 127 L C 2.381 179.426 176.870 0.292 0.000 1.073 127 L CA 1.839 56.918 54.840 0.397 0.000 0.745 127 L CB -0.586 41.618 42.059 0.242 0.000 0.894 127 L HN 0.497 nan 8.230 nan 0.000 0.432 128 N N -1.522 117.271 118.700 0.156 0.000 2.188 128 N HA -0.227 4.513 4.740 -0.000 0.000 0.184 128 N C 1.829 177.328 175.510 -0.018 0.000 1.018 128 N CA 0.891 53.977 53.050 0.061 0.000 0.858 128 N CB -0.130 38.378 38.487 0.036 0.000 0.989 128 N HN 0.312 nan 8.380 nan 0.000 0.426 129 H N -0.671 118.316 119.070 -0.139 0.000 2.353 129 H HA -0.118 4.438 4.556 -0.000 0.000 0.300 129 H C 1.405 176.351 175.328 -0.636 0.000 1.090 129 H CA 1.709 57.490 56.048 -0.445 0.000 1.327 129 H CB 0.000 29.389 29.762 -0.622 0.000 1.383 129 H HN 0.262 nan 8.280 nan 0.000 0.508 130 Y N 0.383 120.487 120.300 -0.328 0.000 2.224 130 Y HA -0.170 4.380 4.550 -0.000 0.000 0.289 130 Y C 2.853 178.230 175.900 -0.872 0.000 1.146 130 Y CA 1.618 59.287 58.100 -0.718 0.000 1.182 130 Y CB -0.385 37.764 38.460 -0.517 0.000 0.983 130 Y HN 0.177 nan 8.280 nan 0.000 0.524 131 R N 0.546 121.025 120.500 -0.036 0.000 2.081 131 R HA -0.189 4.151 4.340 -0.000 0.000 0.235 131 R C 2.001 178.219 176.300 -0.137 0.000 1.131 131 R CA 1.995 58.151 56.100 0.094 0.000 0.960 131 R CB -0.225 30.163 30.300 0.147 0.000 0.856 131 R HN 0.376 nan 8.270 nan 0.000 0.436 132 E N 0.159 120.183 120.200 -0.293 0.000 2.077 132 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 132 E C 2.036 178.365 176.600 -0.450 0.000 0.989 132 E CA 1.590 57.788 56.400 -0.337 0.000 0.800 132 E CB -0.094 29.347 29.700 -0.432 0.000 0.746 132 E HN 0.404 nan 8.360 nan 0.000 0.452 133 I N 0.497 120.566 120.570 -0.834 0.000 2.127 133 I HA -0.282 3.888 4.170 -0.000 0.000 0.241 133 I C 2.033 178.090 176.117 -0.100 0.000 1.075 133 I CA 1.050 61.850 61.300 -0.833 0.000 1.334 133 I CB -0.277 37.167 38.000 -0.925 0.000 1.040 133 I HN 0.085 nan 8.210 nan 0.000 0.405 134 F N 1.173 120.974 119.950 -0.248 0.000 2.186 134 F HA -0.129 4.398 4.527 -0.000 0.000 0.299 134 F C 2.462 178.121 175.800 -0.236 0.000 1.090 134 F CA 0.971 58.764 58.000 -0.346 0.000 1.307 134 F CB -1.198 37.613 39.000 -0.315 0.000 1.019 134 F HN -0.002 nan 8.300 nan 0.000 0.489 135 K N 0.222 120.659 120.400 0.061 0.000 2.026 135 K HA -0.236 4.084 4.320 -0.000 0.000 0.208 135 K C 1.800 178.413 176.600 0.023 0.000 1.048 135 K CA 1.927 58.232 56.287 0.030 0.000 0.929 135 K CB -0.454 32.057 32.500 0.018 0.000 0.713 135 K HN 0.200 nan 8.250 nan 0.000 0.439 136 D N 0.390 120.829 120.400 0.064 0.000 2.144 136 D HA -0.169 4.471 4.640 -0.000 0.000 0.199 136 D C 1.869 178.208 176.300 0.066 0.000 0.984 136 D CA 0.547 54.635 54.000 0.147 0.000 0.834 136 D CB 0.117 41.125 40.800 0.346 0.000 0.955 136 D HN -0.008 nan 8.370 nan 0.000 0.465 137 L N 0.728 121.903 121.223 -0.080 0.000 1.994 137 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 137 L C 1.906 178.652 176.870 -0.208 0.000 1.071 137 L CA 1.740 56.345 54.840 -0.392 0.000 0.745 137 L CB -0.495 41.270 42.059 -0.491 0.000 0.892 137 L HN -0.110 nan 8.230 nan 0.000 0.431 138 K N -0.200 120.109 120.400 -0.152 0.000 2.209 138 K HA -0.081 4.239 4.320 -0.000 0.000 0.204 138 K C 2.276 178.862 176.600 -0.024 0.000 1.048 138 K CA 1.338 57.578 56.287 -0.079 0.000 0.940 138 K CB -0.840 31.627 32.500 -0.055 0.000 0.729 138 K HN 0.630 nan 8.250 nan 0.000 0.451 139 S N 0.873 116.568 115.700 -0.009 0.000 2.474 139 S HA -0.055 4.415 4.470 -0.000 0.000 0.235 139 S C 1.399 176.015 174.600 0.028 0.000 0.997 139 S CA 0.349 58.559 58.200 0.017 0.000 0.949 139 S CB 0.021 63.239 63.200 0.030 0.000 0.766 139 S HN 0.128 nan 8.310 nan 0.000 0.517 140 R N 0.915 121.429 120.500 0.024 0.000 2.356 140 R HA 0.294 4.634 4.340 -0.000 0.000 0.234 140 R C 1.539 177.869 176.300 0.051 0.000 0.929 140 R CA 0.458 56.587 56.100 0.048 0.000 1.084 140 R CB -1.137 29.205 30.300 0.069 0.000 1.105 140 R HN 0.605 nan 8.270 nan 0.000 0.515 141 G N 1.493 110.315 108.800 0.037 0.000 2.153 141 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.252 141 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.252 141 G C -0.024 174.914 174.900 0.064 0.000 0.994 141 G CA 0.026 45.156 45.100 0.050 0.000 0.698 141 G HN 0.266 nan 8.290 nan 0.000 0.521 142 L N -0.028 121.222 121.223 0.045 0.000 2.319 142 L HA 0.477 4.817 4.340 -0.000 0.000 0.280 142 L C 0.841 177.753 176.870 0.070 0.000 1.099 142 L CA -1.200 53.675 54.840 0.057 0.000 0.828 142 L CB 0.595 42.664 42.059 0.017 0.000 1.150 142 L HN 0.208 nan 8.230 nan 0.000 0.442 143 Y N 3.647 123.919 120.300 -0.046 0.000 2.411 143 Y HA 0.174 4.724 4.550 -0.000 0.000 0.333 143 Y C -0.508 175.358 175.900 -0.056 0.000 1.186 143 Y CA 0.028 58.092 58.100 -0.059 0.000 1.381 143 Y CB 0.581 38.989 38.460 -0.087 0.000 1.273 143 Y HN 0.386 nan 8.280 nan 0.000 0.546 144 F N 7.766 127.433 119.950 -0.471 0.000 2.427 144 F HA 0.474 5.001 4.527 -0.000 0.000 0.348 144 F C -1.208 174.256 175.800 -0.561 0.000 1.125 144 F CA -2.002 55.711 58.000 -0.479 0.000 0.989 144 F CB 0.326 39.046 39.000 -0.468 0.000 1.165 144 F HN 0.319 nan 8.300 nan 0.000 0.442 145 I N 7.453 127.690 120.570 -0.555 0.000 2.312 145 I HA 0.207 4.377 4.170 -0.000 0.000 0.290 145 I C -0.938 174.633 176.117 -0.910 0.000 1.008 145 I CA -0.980 59.917 61.300 -0.671 0.000 1.226 145 I CB 1.441 39.187 38.000 -0.423 0.000 1.371 145 I HN 0.369 nan 8.210 nan 0.000 0.468 146 L N 7.710 128.270 121.223 -1.105 0.000 2.272 146 L HA 0.426 4.766 4.340 -0.000 0.000 0.289 146 L C -0.336 176.376 176.870 -0.263 0.000 1.032 146 L CA 0.018 54.309 54.840 -0.914 0.000 0.810 146 L CB 1.005 42.428 42.059 -1.061 0.000 1.205 146 L HN 0.509 nan 8.230 nan 0.000 0.422 147 N N 4.387 123.046 118.700 -0.069 0.000 2.430 147 N HA 0.308 5.048 4.740 -0.000 0.000 0.292 147 N C 0.511 176.161 175.510 0.232 0.000 1.051 147 N CA -0.475 52.653 53.050 0.130 0.000 0.917 147 N CB 1.091 39.678 38.487 0.166 0.000 1.164 147 N HN 0.566 nan 8.380 nan 0.000 0.484 148 M N 1.453 121.257 119.600 0.340 0.000 2.334 148 M HA 0.098 4.578 4.480 -0.000 0.000 0.266 148 M C -0.458 176.309 176.300 0.779 0.000 1.082 148 M CA 0.802 56.380 55.300 0.464 0.000 1.141 148 M CB -0.788 32.028 32.600 0.360 0.000 1.380 148 M HN 0.611 nan 8.290 nan 0.000 0.440 149 Y N -0.486 120.145 120.300 0.552 0.000 2.396 149 Y HA 0.337 4.887 4.550 -0.000 0.000 0.332 149 Y C -0.782 175.374 175.900 0.426 0.000 1.034 149 Y CA -1.343 57.085 58.100 0.547 0.000 1.057 149 Y CB 0.873 39.615 38.460 0.471 0.000 1.220 149 Y HN 0.243 nan 8.280 nan 0.000 0.440 150 H N 6.413 125.374 119.070 -0.183 0.000 2.779 150 H HA 0.245 4.801 4.556 -0.000 0.000 0.230 150 H C -0.766 174.322 175.328 -0.399 0.000 1.365 150 H CA -0.157 55.681 56.048 -0.351 0.000 1.086 150 H CB 0.121 29.806 29.762 -0.129 0.000 2.038 150 H HN 0.793 nan 8.280 nan 0.000 0.558 151 W N -3.021 117.784 121.300 -0.825 0.000 0.243 151 W HA -0.190 4.470 4.660 -0.000 0.000 0.214 151 W C -2.302 174.301 176.519 0.140 0.000 0.913 151 W CA 0.301 57.385 57.345 -0.435 0.000 0.324 151 W CB -2.640 26.575 29.460 -0.408 0.000 1.905 151 W HN 0.316 nan 8.180 nan 0.000 1.026 152 P HA 0.219 nan 4.420 nan 0.000 0.263 152 P C 0.164 177.728 177.300 0.439 0.000 1.195 152 P CA 0.849 64.204 63.100 0.425 0.000 0.762 152 P CB 0.175 32.007 31.700 0.219 0.000 0.799 153 L N 6.426 127.789 121.223 0.235 0.000 2.334 153 L HA 0.476 4.816 4.340 -0.000 0.000 0.275 153 L C -2.118 174.562 176.870 -0.316 0.000 1.036 153 L CA -2.751 52.001 54.840 -0.147 0.000 0.807 153 L CB 1.214 43.067 42.059 -0.345 0.000 1.231 153 L HN 0.147 nan 8.230 nan 0.000 0.438 154 P HA 0.014 nan 4.420 nan 0.000 0.265 154 P C 0.744 177.741 177.300 -0.505 0.000 1.193 154 P CA 0.077 62.825 63.100 -0.586 0.000 0.765 154 P CB 0.577 31.637 31.700 -1.066 0.000 0.823 155 L N 2.983 124.086 121.223 -0.200 0.000 2.129 155 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 155 L C 2.119 178.932 176.870 -0.095 0.000 1.087 155 L CA 1.359 56.132 54.840 -0.111 0.000 0.757 155 L CB -0.713 41.344 42.059 -0.003 0.000 0.896 155 L HN 0.646 nan 8.230 nan 0.000 0.434 156 W N -0.922 120.307 121.300 -0.118 0.000 2.538 156 W HA -0.108 4.552 4.660 -0.000 0.000 0.254 156 W C 1.346 177.781 176.519 -0.140 0.000 1.249 156 W CA 0.392 57.671 57.345 -0.111 0.000 1.253 156 W CB -0.668 28.732 29.460 -0.100 0.000 1.130 156 W HN 0.210 nan 8.180 nan 0.000 0.618 157 L N -0.656 120.180 121.223 -0.646 0.000 2.556 157 L HA 0.242 4.582 4.340 -0.000 0.000 0.226 157 L C 0.351 177.034 176.870 -0.312 0.000 1.089 157 L CA 0.558 55.018 54.840 -0.633 0.000 0.864 157 L CB -0.130 41.239 42.059 -1.151 0.000 1.067 157 L HN -0.015 nan 8.230 nan 0.000 0.477 158 H N -0.143 118.711 119.070 -0.360 0.000 3.224 158 H HA 0.100 4.656 4.556 -0.000 0.000 0.331 158 H C -1.571 173.662 175.328 -0.158 0.000 1.002 158 H CA -0.636 55.264 56.048 -0.247 0.000 1.473 158 H CB 1.612 31.200 29.762 -0.290 0.000 1.830 158 H HN -0.142 nan 8.280 nan 0.000 0.485 159 D N 7.532 127.851 120.400 -0.135 0.000 2.443 159 D HA 0.127 4.767 4.640 -0.000 0.000 0.221 159 D C -1.783 174.314 176.300 -0.338 0.000 1.097 159 D CA -2.366 51.513 54.000 -0.201 0.000 0.865 159 D CB 1.895 42.645 40.800 -0.084 0.000 1.034 159 D HN 0.360 nan 8.370 nan 0.000 0.511 160 P HA -0.061 nan 4.420 nan 0.000 0.222 160 P C 1.650 178.911 177.300 -0.065 0.000 1.153 160 P CA 0.169 62.973 63.100 -0.493 0.000 0.798 160 P CB 0.727 32.109 31.700 -0.529 0.000 0.796 161 I N 0.314 120.881 120.570 -0.005 0.000 2.286 161 I HA -0.104 4.066 4.170 -0.000 0.000 0.245 161 I C 2.774 178.871 176.117 -0.034 0.000 1.104 161 I CA 1.050 62.366 61.300 0.026 0.000 1.397 161 I CB -1.436 36.558 38.000 -0.009 0.000 1.072 161 I HN -0.027 nan 8.210 nan 0.000 0.417 162 R N 0.650 121.103 120.500 -0.079 0.000 2.083 162 R HA -0.148 4.192 4.340 -0.000 0.000 0.237 162 R C 2.381 178.550 176.300 -0.219 0.000 1.137 162 R CA 1.582 57.609 56.100 -0.121 0.000 0.951 162 R CB -0.097 30.136 30.300 -0.112 0.000 0.851 162 R HN 0.161 nan 8.270 nan 0.000 0.434 163 V N 0.919 120.693 119.914 -0.233 0.000 2.358 163 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 163 V C 2.550 178.491 176.094 -0.254 0.000 1.047 163 V CA 1.688 63.741 62.300 -0.412 0.000 1.035 163 V CB -0.687 31.034 31.823 -0.170 0.000 0.658 163 V HN 0.382 nan 8.190 nan 0.000 0.452 164 R N 0.720 121.217 120.500 -0.006 0.000 2.119 164 R HA -0.214 4.126 4.340 -0.000 0.000 0.246 164 R C 2.270 178.648 176.300 0.130 0.000 1.146 164 R CA 1.943 58.138 56.100 0.157 0.000 0.962 164 R CB -0.309 30.129 30.300 0.230 0.000 0.863 164 R HN 0.427 nan 8.270 nan 0.000 0.442 165 R N -1.202 119.302 120.500 0.007 0.000 2.323 165 R HA 0.009 4.349 4.340 -0.000 0.000 0.198 165 R C 1.024 177.321 176.300 -0.006 0.000 0.988 165 R CA 0.607 56.709 56.100 0.003 0.000 1.041 165 R CB 0.114 30.393 30.300 -0.035 0.000 0.926 165 R HN 0.576 nan 8.270 nan 0.000 0.476 166 G N 1.312 110.042 108.800 -0.117 0.000 2.132 166 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.228 166 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.228 166 G C -0.629 174.063 174.900 -0.348 0.000 1.000 166 G CA 0.084 45.087 45.100 -0.162 0.000 0.693 166 G HN 0.356 nan 8.290 nan 0.000 0.515 167 D N -0.275 119.821 120.400 -0.508 0.000 2.412 167 D HA 0.547 5.187 4.640 -0.000 0.000 0.224 167 D C 0.529 176.525 176.300 -0.508 0.000 1.093 167 D CA -0.890 52.916 54.000 -0.324 0.000 0.850 167 D CB 0.042 40.737 40.800 -0.176 0.000 1.046 167 D HN 0.046 nan 8.370 nan 0.000 0.507 168 F N 1.408 121.319 119.950 -0.065 0.000 2.645 168 F HA 0.079 4.606 4.527 -0.000 0.000 0.300 168 F C 2.264 178.045 175.800 -0.031 0.000 1.115 168 F CA -0.088 57.875 58.000 -0.062 0.000 1.355 168 F CB 0.293 39.240 39.000 -0.088 0.000 1.026 168 F HN 0.317 nan 8.300 nan 0.000 0.536 169 T N -3.187 111.404 114.554 0.061 0.000 3.081 169 T HA 0.285 4.635 4.350 -0.000 0.000 0.255 169 T C 1.232 175.952 174.700 0.033 0.000 1.113 169 T CA 0.454 62.584 62.100 0.049 0.000 1.082 169 T CB -0.133 68.752 68.868 0.029 0.000 0.939 169 T HN 0.182 nan 8.240 nan 0.000 0.506 170 G N 1.579 110.388 108.800 0.015 0.000 2.702 170 G HA2 0.605 4.565 3.960 -0.000 0.000 0.254 170 G HA3 0.605 4.565 3.960 -0.000 0.000 0.254 170 G C -2.872 172.047 174.900 0.031 0.000 1.380 170 G CA -1.973 43.136 45.100 0.014 0.000 1.042 170 G HN 0.113 nan 8.290 nan 0.000 0.557 171 P HA 0.163 nan 4.420 nan 0.000 0.270 171 P C 0.285 177.626 177.300 0.069 0.000 1.242 171 P CA 0.102 63.216 63.100 0.023 0.000 0.768 171 P CB 1.163 32.865 31.700 0.004 0.000 0.820 172 S N 2.012 117.734 115.700 0.037 0.000 2.602 172 S HA 0.446 4.916 4.470 -0.000 0.000 0.240 172 S C 1.158 175.639 174.600 -0.199 0.000 0.992 172 S CA 0.075 58.313 58.200 0.065 0.000 0.971 172 S CB -0.682 62.592 63.200 0.122 0.000 0.855 172 S HN 0.655 nan 8.310 nan 0.000 0.481 173 G N 1.920 110.474 108.800 -0.409 0.000 2.583 173 G HA2 -0.352 3.607 3.960 -0.000 0.000 0.292 173 G HA3 -0.352 3.607 3.960 -0.000 0.000 0.292 173 G C 0.300 174.871 174.900 -0.548 0.000 1.203 173 G CA 0.237 44.857 45.100 -0.800 0.000 0.987 173 G HN 0.557 nan 8.290 nan 0.000 0.554 174 W N 1.217 122.372 121.300 -0.241 0.000 2.848 174 W HA 0.345 5.005 4.660 0.000 0.000 0.241 174 W C 2.372 178.842 176.519 -0.081 0.000 1.289 174 W CA 0.331 57.611 57.345 -0.108 0.000 1.396 174 W CB -0.201 29.227 29.460 -0.054 0.000 1.138 174 W HN 0.304 nan 8.180 nan 0.000 0.677 175 L N -0.113 121.144 121.223 0.057 0.000 2.552 175 L HA 0.041 4.381 4.340 -0.000 0.000 0.227 175 L C 1.230 178.129 176.870 0.048 0.000 1.146 175 L CA 0.424 55.280 54.840 0.027 0.000 0.858 175 L CB -0.547 41.524 42.059 0.019 0.000 0.969 175 L HN -0.225 nan 8.230 nan 0.000 0.451 176 S N -0.786 114.942 115.700 0.047 0.000 2.473 176 S HA 0.223 4.693 4.470 -0.000 0.000 0.307 176 S C 1.187 175.871 174.600 0.140 0.000 1.094 176 S CA -0.365 57.877 58.200 0.072 0.000 1.070 176 S CB 1.436 64.654 63.200 0.030 0.000 1.019 176 S HN 0.309 nan 8.310 nan 0.000 0.480 177 T N 2.884 117.564 114.554 0.210 0.000 2.897 177 T HA -0.145 4.205 4.350 -0.000 0.000 0.271 177 T C 1.750 176.702 174.700 0.419 0.000 1.084 177 T CA 1.158 63.461 62.100 0.338 0.000 1.123 177 T CB -0.355 68.732 68.868 0.366 0.000 0.865 177 T HN 0.615 nan 8.240 nan 0.000 0.496 178 R N 1.685 122.376 120.500 0.317 0.000 2.091 178 R HA -0.065 4.275 4.340 -0.000 0.000 0.238 178 R C 2.294 178.641 176.300 0.079 0.000 1.136 178 R CA 2.146 58.323 56.100 0.128 0.000 0.959 178 R CB -1.329 29.033 30.300 0.103 0.000 0.856 178 R HN 0.444 nan 8.270 nan 0.000 0.437 179 T N -0.245 114.319 114.554 0.016 0.000 2.821 179 T HA -0.062 4.288 4.350 -0.000 0.000 0.267 179 T C 1.771 176.545 174.700 0.124 0.000 1.046 179 T CA 1.337 63.365 62.100 -0.120 0.000 1.139 179 T CB -0.190 68.370 68.868 -0.514 0.000 0.871 179 T HN 0.027 nan 8.240 nan 0.000 0.454 180 V N 0.531 120.603 119.914 0.263 0.000 2.295 180 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 180 V C 2.006 178.285 176.094 0.309 0.000 1.049 180 V CA 1.595 64.132 62.300 0.395 0.000 1.024 180 V CB -0.707 31.332 31.823 0.360 0.000 0.648 180 V HN 0.506 nan 8.190 nan 0.000 0.447 181 Y N 1.131 121.481 120.300 0.083 0.000 2.145 181 Y HA -0.206 4.344 4.550 0.000 0.000 0.286 181 Y C 2.655 178.548 175.900 -0.012 0.000 1.145 181 Y CA 1.993 60.050 58.100 -0.072 0.000 1.148 181 Y CB -0.023 38.131 38.460 -0.510 0.000 0.981 181 Y HN 0.233 nan 8.280 nan 0.000 0.507 182 E N -0.443 119.900 120.200 0.239 0.000 2.107 182 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 182 E C 2.068 178.823 176.600 0.258 0.000 0.982 182 E CA 0.942 57.517 56.400 0.291 0.000 0.809 182 E CB -0.756 29.219 29.700 0.459 0.000 0.756 182 E HN 0.520 nan 8.360 nan 0.000 0.459 183 F N 2.017 122.037 119.950 0.117 0.000 2.095 183 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 183 F C 2.290 178.024 175.800 -0.111 0.000 1.104 183 F CA 1.328 59.229 58.000 -0.166 0.000 1.232 183 F CB -0.598 38.456 39.000 0.090 0.000 0.987 183 F HN -0.020 nan 8.300 nan 0.000 0.475 184 A N 0.535 123.263 122.820 -0.153 0.000 1.892 184 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 184 A C 2.375 179.762 177.584 -0.329 0.000 1.188 184 A CA 2.202 54.063 52.037 -0.294 0.000 0.631 184 A CB -0.833 18.035 19.000 -0.220 0.000 0.822 184 A HN 0.473 nan 8.150 nan 0.000 0.447 185 R N -2.134 118.196 120.500 -0.282 0.000 2.075 185 R HA -0.079 4.261 4.340 -0.000 0.000 0.232 185 R C 2.032 178.271 176.300 -0.102 0.000 1.126 185 R CA 1.492 57.462 56.100 -0.216 0.000 0.963 185 R CB -0.511 29.663 30.300 -0.211 0.000 0.858 185 R HN 0.604 nan 8.270 nan 0.000 0.435 186 F N 1.474 121.261 119.950 -0.272 0.000 2.095 186 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 186 F C 2.120 177.817 175.800 -0.172 0.000 1.104 186 F CA 1.677 59.552 58.000 -0.209 0.000 1.232 186 F CB -0.356 38.236 39.000 -0.679 0.000 0.987 186 F HN -0.139 nan 8.300 nan 0.000 0.475 187 S N 0.657 115.986 115.700 -0.617 0.000 2.356 187 S HA -0.151 4.319 4.470 -0.000 0.000 0.223 187 S C 2.358 176.705 174.600 -0.423 0.000 1.032 187 S CA 1.101 58.915 58.200 -0.642 0.000 1.005 187 S CB -1.021 61.750 63.200 -0.715 0.000 0.867 187 S HN 0.562 nan 8.310 nan 0.000 0.449 188 A N 0.765 123.391 122.820 -0.322 0.000 1.883 188 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 188 A C 1.969 179.506 177.584 -0.079 0.000 1.186 188 A CA 1.856 53.763 52.037 -0.217 0.000 0.624 188 A CB -1.090 17.791 19.000 -0.199 0.000 0.822 188 A HN 0.583 nan 8.150 nan 0.000 0.444 189 Y N 0.590 120.818 120.300 -0.120 0.000 2.128 189 Y HA -0.224 4.326 4.550 0.000 0.000 0.284 189 Y C 2.090 178.065 175.900 0.126 0.000 1.154 189 Y CA 1.833 59.984 58.100 0.085 0.000 1.149 189 Y CB -0.128 38.449 38.460 0.195 0.000 0.976 189 Y HN 0.250 nan 8.280 nan 0.000 0.505 190 I N 0.257 120.754 120.570 -0.120 0.000 2.252 190 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 190 I C 2.658 178.817 176.117 0.071 0.000 1.102 190 I CA 1.438 62.704 61.300 -0.058 0.000 1.385 190 I CB -1.894 35.972 38.000 -0.222 0.000 1.064 190 I HN 0.376 nan 8.210 nan 0.000 0.414 191 A N 0.063 122.856 122.820 -0.046 0.000 1.908 191 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 191 A C 2.211 179.833 177.584 0.062 0.000 1.181 191 A CA 1.686 53.709 52.037 -0.023 0.000 0.627 191 A CB -1.257 17.518 19.000 -0.376 0.000 0.818 191 A HN 0.593 nan 8.150 nan 0.000 0.445 192 W N 1.036 122.223 121.300 -0.189 0.000 2.363 192 W HA -0.131 4.529 4.660 -0.000 0.000 0.296 192 W C 1.834 178.211 176.519 -0.236 0.000 1.212 192 W CA 1.986 59.217 57.345 -0.190 0.000 1.260 192 W CB 0.117 29.461 29.460 -0.193 0.000 1.131 192 W HN 0.143 nan 8.180 nan 0.000 0.530 193 K N -0.871 119.306 120.400 -0.372 0.000 2.167 193 K HA -0.029 4.291 4.320 -0.000 0.000 0.203 193 K C 1.316 177.545 176.600 -0.620 0.000 1.052 193 K CA 1.087 56.948 56.287 -0.709 0.000 0.956 193 K CB -0.737 31.217 32.500 -0.911 0.000 0.735 193 K HN 0.226 nan 8.250 nan 0.000 0.451 194 F N 0.270 120.183 119.950 -0.062 0.000 2.706 194 F HA 0.119 4.646 4.527 -0.000 0.000 0.313 194 F C 1.476 177.307 175.800 0.052 0.000 1.096 194 F CA -0.558 57.471 58.000 0.048 0.000 1.219 194 F CB 0.218 39.325 39.000 0.178 0.000 1.051 194 F HN -0.067 nan 8.300 nan 0.000 0.568 195 D N 1.086 121.589 120.400 0.171 0.000 2.228 195 D HA -0.217 4.423 4.640 -0.000 0.000 0.203 195 D C 1.967 178.307 176.300 0.067 0.000 0.988 195 D CA 1.796 55.889 54.000 0.155 0.000 0.864 195 D CB -0.019 40.863 40.800 0.137 0.000 0.928 195 D HN 0.346 nan 8.370 nan 0.000 0.469 196 D N -0.198 120.226 120.400 0.041 0.000 2.310 196 D HA -0.165 4.475 4.640 -0.000 0.000 0.212 196 D C 1.863 178.190 176.300 0.045 0.000 0.965 196 D CA 0.635 54.648 54.000 0.022 0.000 0.879 196 D CB -0.260 40.537 40.800 -0.005 0.000 0.921 196 D HN 0.381 nan 8.370 nan 0.000 0.510 197 L N 0.160 121.448 121.223 0.107 0.000 2.609 197 L HA 0.183 4.523 4.340 -0.000 0.000 0.230 197 L C 0.574 177.506 176.870 0.103 0.000 1.087 197 L CA -0.130 54.792 54.840 0.137 0.000 0.874 197 L CB 0.884 43.108 42.059 0.276 0.000 1.114 197 L HN -0.184 nan 8.230 nan 0.000 0.488 198 V N 0.616 120.506 119.914 -0.039 0.000 2.509 198 V HA 0.097 4.217 4.120 -0.000 0.000 0.284 198 V C 0.495 176.338 176.094 -0.419 0.000 1.047 198 V CA -0.215 61.871 62.300 -0.357 0.000 0.952 198 V CB 1.772 33.160 31.823 -0.725 0.000 0.988 198 V HN 0.161 nan 8.190 nan 0.000 0.469 199 D N 2.177 122.222 120.400 -0.591 0.000 2.269 199 D HA 0.134 4.774 4.640 -0.000 0.000 0.220 199 D C 0.415 176.379 176.300 -0.559 0.000 0.962 199 D CA 0.741 54.342 54.000 -0.665 0.000 0.884 199 D CB 0.969 40.995 40.800 -1.291 0.000 1.023 199 D HN 0.652 nan 8.370 nan 0.000 0.484 200 E N -0.885 118.935 120.200 -0.632 0.000 2.408 200 E HA 0.404 4.754 4.350 -0.000 0.000 0.275 200 E C -1.434 174.930 176.600 -0.394 0.000 0.935 200 E CA -0.648 55.554 56.400 -0.330 0.000 0.775 200 E CB 2.328 31.906 29.700 -0.203 0.000 1.277 200 E HN -0.080 nan 8.360 nan 0.000 0.455 201 Y N 0.102 120.485 120.300 0.138 0.000 2.468 201 Y HA 0.424 4.974 4.550 -0.000 0.000 0.342 201 Y C 0.115 176.176 175.900 0.267 0.000 1.021 201 Y CA -0.551 57.597 58.100 0.080 0.000 1.079 201 Y CB 2.350 40.804 38.460 -0.009 0.000 1.226 201 Y HN 0.293 nan 8.280 nan 0.000 0.460 202 S N 0.106 115.992 115.700 0.310 0.000 2.482 202 S HA 0.293 4.763 4.470 -0.000 0.000 0.303 202 S C 0.809 175.530 174.600 0.202 0.000 1.091 202 S CA -0.130 58.168 58.200 0.164 0.000 1.057 202 S CB 0.907 64.189 63.200 0.138 0.000 1.031 202 S HN 0.843 nan 8.310 nan 0.000 0.485 203 T N 2.770 117.456 114.554 0.219 0.000 2.770 203 T HA 0.255 4.605 4.350 -0.000 0.000 0.263 203 T C 0.690 175.698 174.700 0.513 0.000 1.039 203 T CA 0.712 63.026 62.100 0.357 0.000 1.142 203 T CB -0.218 68.929 68.868 0.464 0.000 0.868 203 T HN 0.582 nan 8.240 nan 0.000 0.435 204 M N 0.849 120.663 119.600 0.357 0.000 2.520 204 M HA 0.414 4.894 4.480 -0.000 0.000 0.283 204 M C -1.687 174.697 176.300 0.139 0.000 1.237 204 M CA -0.753 54.750 55.300 0.338 0.000 0.885 204 M CB 2.748 35.511 32.600 0.272 0.000 1.727 204 M HN 0.091 nan 8.290 nan 0.000 0.468 205 N N 1.089 119.816 118.700 0.045 0.000 2.424 205 N HA 0.248 4.988 4.740 -0.000 0.000 0.271 205 N C -1.121 174.371 175.510 -0.030 0.000 0.985 205 N CA -0.062 52.889 53.050 -0.165 0.000 0.921 205 N CB 0.890 38.959 38.487 -0.696 0.000 1.149 205 N HN 0.664 nan 8.380 nan 0.000 0.492 206 E N 1.824 121.988 120.200 -0.060 0.000 2.210 206 E HA -0.172 4.178 4.350 -0.000 0.000 0.201 206 E C -1.738 174.777 176.600 -0.142 0.000 1.339 206 E CA 0.057 56.391 56.400 -0.111 0.000 0.699 206 E CB -0.619 29.112 29.700 0.051 0.000 1.126 206 E HN 0.681 nan 8.360 nan 0.000 0.355 207 P HA -0.233 nan 4.420 nan 0.000 0.218 207 P C 1.093 178.217 177.300 -0.292 0.000 1.148 207 P CA 1.600 64.570 63.100 -0.216 0.000 0.822 207 P CB -0.005 31.580 31.700 -0.192 0.000 0.784 208 N N 0.355 118.785 118.700 -0.450 0.000 2.289 208 N HA -0.088 4.652 4.740 -0.000 0.000 0.184 208 N C 1.617 176.952 175.510 -0.291 0.000 1.016 208 N CA 1.042 53.889 53.050 -0.338 0.000 0.872 208 N CB -1.672 36.523 38.487 -0.487 0.000 0.973 208 N HN 0.076 nan 8.380 nan 0.000 0.433 209 V N 0.788 120.473 119.914 -0.382 0.000 2.379 209 V HA -0.118 4.002 4.120 -0.000 0.000 0.245 209 V C 2.631 178.429 176.094 -0.494 0.000 1.044 209 V CA 0.836 62.864 62.300 -0.453 0.000 1.036 209 V CB -0.390 31.148 31.823 -0.475 0.000 0.664 209 V HN 0.102 nan 8.190 nan 0.000 0.453 210 V N 1.155 120.770 119.914 -0.498 0.000 2.233 210 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 210 V C 2.633 178.683 176.094 -0.073 0.000 1.050 210 V CA 2.518 64.619 62.300 -0.332 0.000 1.010 210 V CB -1.462 30.239 31.823 -0.203 0.000 0.637 210 V HN 0.599 nan 8.190 nan 0.000 0.444 211 G N -0.541 108.252 108.800 -0.013 0.000 2.404 211 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.215 211 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.215 211 G C 1.606 176.603 174.900 0.161 0.000 1.174 211 G CA 0.914 46.115 45.100 0.169 0.000 0.780 211 G HN 0.600 nan 8.290 nan 0.000 0.537 212 G N 0.969 109.771 108.800 0.004 0.000 2.453 212 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.215 212 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.215 212 G C 1.786 176.635 174.900 -0.085 0.000 1.201 212 G CA 0.792 45.877 45.100 -0.026 0.000 0.784 212 G HN 0.379 nan 8.290 nan 0.000 0.545 213 L N 0.845 121.921 121.223 -0.245 0.000 2.093 213 L HA 0.043 4.383 4.340 -0.000 0.000 0.208 213 L C 3.177 179.922 176.870 -0.208 0.000 1.085 213 L CA 0.873 55.506 54.840 -0.344 0.000 0.755 213 L CB -0.819 40.722 42.059 -0.863 0.000 0.904 213 L HN 0.354 nan 8.230 nan 0.000 0.435 214 G N -0.773 107.913 108.800 -0.191 0.000 2.450 214 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.220 214 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.220 214 G C 1.052 175.617 174.900 -0.558 0.000 1.130 214 G CA 0.875 45.727 45.100 -0.412 0.000 0.760 214 G HN 0.408 nan 8.290 nan 0.000 0.557 215 Y N -2.205 118.105 120.300 0.017 0.000 2.540 215 Y HA 0.364 4.914 4.550 -0.000 0.000 0.257 215 Y C 1.777 177.700 175.900 0.039 0.000 1.090 215 Y CA -0.256 57.886 58.100 0.069 0.000 1.242 215 Y CB 0.935 39.462 38.460 0.111 0.000 1.325 215 Y HN 0.035 nan 8.280 nan 0.000 0.544 216 V N -1.848 118.139 119.914 0.123 0.000 3.161 216 V HA 0.271 4.391 4.120 -0.000 0.000 0.221 216 V C 1.639 177.745 176.094 0.020 0.000 1.296 216 V CA 0.677 63.032 62.300 0.092 0.000 1.306 216 V CB -0.390 31.541 31.823 0.180 0.000 1.171 216 V HN 0.198 nan 8.190 nan 0.000 0.513 217 G N 1.596 110.386 108.800 -0.017 0.000 3.197 217 G HA2 0.269 4.229 3.960 -0.000 0.000 0.257 217 G HA3 0.269 4.229 3.960 -0.000 0.000 0.257 217 G C 1.115 175.987 174.900 -0.048 0.000 0.835 217 G CA 0.655 45.726 45.100 -0.048 0.000 2.001 217 G HN 0.466 nan 8.290 nan 0.000 0.625 218 V N -0.952 118.953 119.914 -0.015 0.000 2.759 218 V HA -0.045 4.075 4.120 -0.000 0.000 0.256 218 V C 2.295 178.429 176.094 0.066 0.000 1.080 218 V CA 1.355 63.667 62.300 0.019 0.000 1.101 218 V CB -0.371 31.457 31.823 0.008 0.000 0.698 218 V HN 0.434 nan 8.190 nan 0.000 0.477 219 K N 1.123 121.552 120.400 0.048 0.000 2.360 219 K HA -0.020 4.300 4.320 -0.000 0.000 0.201 219 K C 2.151 178.821 176.600 0.115 0.000 1.046 219 K CA 1.312 57.643 56.287 0.075 0.000 0.945 219 K CB -0.256 32.279 32.500 0.058 0.000 0.750 219 K HN 0.525 nan 8.250 nan 0.000 0.464 220 S N 0.122 115.879 115.700 0.095 0.000 2.555 220 S HA 0.004 4.474 4.470 -0.000 0.000 0.230 220 S C 1.076 175.911 174.600 0.392 0.000 0.978 220 S CA 0.735 59.026 58.200 0.151 0.000 0.934 220 S CB 0.051 63.191 63.200 -0.101 0.000 0.766 220 S HN 0.603 nan 8.310 nan 0.000 0.533 221 G N 1.343 110.371 108.800 0.380 0.000 2.295 221 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.287 221 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.287 221 G C -0.236 175.107 174.900 0.738 0.000 1.055 221 G CA -0.207 45.225 45.100 0.554 0.000 0.922 221 G HN 0.348 nan 8.290 nan 0.000 0.503 222 F N 1.057 121.032 119.950 0.041 0.000 2.399 222 F HA 0.554 5.081 4.527 -0.000 0.000 0.334 222 F C -1.273 173.822 175.800 -1.176 0.000 1.097 222 F CA -2.893 54.831 58.000 -0.460 0.000 1.076 222 F CB 1.749 40.568 39.000 -0.303 0.000 1.162 222 F HN -0.046 nan 8.300 nan 0.000 0.495 223 P HA 0.162 nan 4.420 nan 0.000 0.275 223 P C -2.430 174.279 177.300 -0.985 0.000 1.228 223 P CA -1.478 60.329 63.100 -2.155 0.000 0.786 223 P CB 1.018 31.510 31.700 -2.012 0.000 0.927 224 P HA 0.054 nan 4.420 nan 0.000 0.257 224 P C 0.781 177.870 177.300 -0.351 0.000 1.281 224 P CA 0.369 63.097 63.100 -0.619 0.000 0.826 224 P CB -0.284 31.324 31.700 -0.152 0.000 1.237 225 G N 0.444 109.014 108.800 -0.384 0.000 2.323 225 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.292 225 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.292 225 G C -0.605 174.347 174.900 0.088 0.000 1.040 225 G CA -0.024 45.066 45.100 -0.016 0.000 0.942 225 G HN 0.491 nan 8.290 nan 0.000 0.506 226 Y N -0.093 120.163 120.300 -0.074 0.000 2.342 226 Y HA 0.589 5.139 4.550 -0.000 0.000 0.338 226 Y C 0.160 176.132 175.900 0.119 0.000 0.965 226 Y CA -1.813 56.334 58.100 0.078 0.000 1.159 226 Y CB 1.126 39.706 38.460 0.201 0.000 1.157 226 Y HN 0.246 nan 8.280 nan 0.000 0.486 227 L N 6.331 127.338 121.223 -0.360 0.000 2.385 227 L HA 0.444 4.784 4.340 -0.000 0.000 0.281 227 L C -0.585 176.125 176.870 -0.266 0.000 1.106 227 L CA 0.451 55.144 54.840 -0.246 0.000 0.856 227 L CB 0.029 41.929 42.059 -0.265 0.000 1.186 227 L HN 0.614 nan 8.230 nan 0.000 0.453 228 S N 4.145 119.823 115.700 -0.036 0.000 2.584 228 S HA 0.323 4.793 4.470 -0.000 0.000 0.282 228 S C 0.637 175.303 174.600 0.109 0.000 1.138 228 S CA -0.583 57.627 58.200 0.018 0.000 0.987 228 S CB 0.085 63.439 63.200 0.258 0.000 1.137 228 S HN 0.396 nan 8.310 nan 0.000 0.457 229 F N 2.668 122.629 119.950 0.019 0.000 2.095 229 F HA 0.009 4.536 4.527 -0.000 0.000 0.298 229 F C 2.502 178.283 175.800 -0.032 0.000 1.104 229 F CA 1.739 59.731 58.000 -0.013 0.000 1.232 229 F CB -0.541 38.436 39.000 -0.038 0.000 0.987 229 F HN 0.766 nan 8.300 nan 0.000 0.475 230 E N 0.414 120.713 120.200 0.165 0.000 2.058 230 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 230 E C 2.274 178.863 176.600 -0.019 0.000 0.997 230 E CA 1.198 57.624 56.400 0.043 0.000 0.801 230 E CB -0.251 29.456 29.700 0.011 0.000 0.746 230 E HN 0.358 nan 8.360 nan 0.000 0.450 231 L N 0.192 121.406 121.223 -0.015 0.000 2.217 231 L HA -0.101 4.239 4.340 -0.000 0.000 0.211 231 L C 2.699 179.371 176.870 -0.330 0.000 1.107 231 L CA 0.604 55.349 54.840 -0.158 0.000 0.783 231 L CB -0.326 41.683 42.059 -0.082 0.000 0.919 231 L HN 0.121 nan 8.230 nan 0.000 0.442 232 S N 0.114 115.744 115.700 -0.115 0.000 2.368 232 S HA -0.155 4.315 4.470 -0.000 0.000 0.225 232 S C 2.163 176.733 174.600 -0.050 0.000 1.030 232 S CA 1.164 59.327 58.200 -0.062 0.000 0.999 232 S CB -0.009 63.277 63.200 0.143 0.000 0.844 232 S HN 0.335 nan 8.310 nan 0.000 0.459 233 R N 0.365 120.845 120.500 -0.033 0.000 2.081 233 R HA -0.028 4.312 4.340 -0.000 0.000 0.235 233 R C 2.711 179.024 176.300 0.022 0.000 1.131 233 R CA 1.584 57.672 56.100 -0.020 0.000 0.960 233 R CB -0.333 29.931 30.300 -0.059 0.000 0.856 233 R HN 0.412 nan 8.270 nan 0.000 0.436 234 R N 0.716 121.190 120.500 -0.043 0.000 2.073 234 R HA -0.125 4.215 4.340 -0.000 0.000 0.234 234 R C 2.156 178.475 176.300 0.032 0.000 1.134 234 R CA 1.644 57.733 56.100 -0.018 0.000 0.952 234 R CB -0.301 29.946 30.300 -0.088 0.000 0.850 234 R HN 0.212 nan 8.270 nan 0.000 0.433 235 A N 0.946 123.711 122.820 -0.091 0.000 1.908 235 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 235 A C 2.163 179.780 177.584 0.055 0.000 1.181 235 A CA 1.612 53.634 52.037 -0.025 0.000 0.627 235 A CB -0.394 18.495 19.000 -0.185 0.000 0.818 235 A HN 0.320 nan 8.150 nan 0.000 0.445 236 M N -2.161 117.499 119.600 0.101 0.000 2.132 236 M HA -0.078 4.402 4.480 -0.000 0.000 0.263 236 M C 2.131 178.563 176.300 0.219 0.000 1.065 236 M CA 1.269 56.695 55.300 0.209 0.000 1.122 236 M CB -1.553 31.297 32.600 0.417 0.000 1.365 236 M HN 0.599 nan 8.290 nan 0.000 0.411 237 Y N 1.997 122.365 120.300 0.113 0.000 2.114 237 Y HA -0.287 4.263 4.550 -0.000 0.000 0.282 237 Y C 2.183 178.111 175.900 0.046 0.000 1.165 237 Y CA 1.928 60.075 58.100 0.079 0.000 1.148 237 Y CB -0.332 38.161 38.460 0.055 0.000 0.972 237 Y HN 0.316 nan 8.280 nan 0.000 0.504 238 N N 0.279 119.094 118.700 0.191 0.000 2.188 238 N HA -0.178 4.562 4.740 -0.000 0.000 0.184 238 N C 1.994 177.529 175.510 0.042 0.000 1.018 238 N CA 1.567 54.714 53.050 0.162 0.000 0.858 238 N CB -0.462 38.197 38.487 0.287 0.000 0.989 238 N HN 0.471 nan 8.380 nan 0.000 0.426 239 I N 0.631 121.126 120.570 -0.124 0.000 2.315 239 I HA -0.163 4.007 4.170 -0.000 0.000 0.248 239 I C 1.861 177.851 176.117 -0.212 0.000 1.117 239 I CA 0.603 61.646 61.300 -0.429 0.000 1.404 239 I CB 0.092 37.704 38.000 -0.648 0.000 1.071 239 I HN 0.030 nan 8.210 nan 0.000 0.419 240 I N 0.633 121.091 120.570 -0.188 0.000 2.142 240 I HA -0.368 3.802 4.170 -0.000 0.000 0.240 240 I C 2.656 178.635 176.117 -0.229 0.000 1.078 240 I CA 1.819 62.923 61.300 -0.327 0.000 1.343 240 I CB -0.426 37.286 38.000 -0.480 0.000 1.046 240 I HN 0.375 nan 8.210 nan 0.000 0.405 241 Q N 1.086 120.748 119.800 -0.230 0.000 2.224 241 Q HA -0.162 4.178 4.340 -0.000 0.000 0.203 241 Q C 2.162 178.159 176.000 -0.006 0.000 0.970 241 Q CA 1.499 57.217 55.803 -0.142 0.000 0.865 241 Q CB -0.454 28.186 28.738 -0.162 0.000 0.922 241 Q HN 0.482 nan 8.270 nan 0.000 0.445 242 A N 1.453 124.314 122.820 0.069 0.000 1.898 242 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 242 A C 1.935 179.661 177.584 0.237 0.000 1.181 242 A CA 1.655 53.832 52.037 0.234 0.000 0.620 242 A CB -0.923 18.282 19.000 0.341 0.000 0.819 242 A HN 0.685 nan 8.150 nan 0.000 0.442 243 H N 0.140 119.246 119.070 0.059 0.000 2.293 243 H HA 0.020 4.576 4.556 -0.000 0.000 0.300 243 H C 2.127 177.466 175.328 0.019 0.000 1.082 243 H CA 2.180 58.269 56.048 0.069 0.000 1.308 243 H CB -0.396 29.328 29.762 -0.063 0.000 1.375 243 H HN 0.351 nan 8.280 nan 0.000 0.495 244 A N 0.539 123.207 122.820 -0.253 0.000 1.883 244 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 244 A C 2.444 179.929 177.584 -0.164 0.000 1.186 244 A CA 1.953 53.830 52.037 -0.267 0.000 0.624 244 A CB -0.553 18.347 19.000 -0.167 0.000 0.822 244 A HN 0.397 nan 8.150 nan 0.000 0.444 245 R N -0.394 120.050 120.500 -0.093 0.000 2.092 245 R HA 0.060 4.400 4.340 -0.000 0.000 0.231 245 R C 2.312 178.538 176.300 -0.124 0.000 1.119 245 R CA 1.458 57.515 56.100 -0.071 0.000 0.970 245 R CB -0.799 29.492 30.300 -0.015 0.000 0.864 245 R HN 0.492 nan 8.270 nan 0.000 0.440 246 A N -0.814 121.920 122.820 -0.143 0.000 1.930 246 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 246 A C 2.032 179.469 177.584 -0.244 0.000 1.175 246 A CA 1.337 53.216 52.037 -0.262 0.000 0.627 246 A CB -0.788 18.027 19.000 -0.307 0.000 0.815 246 A HN 0.483 nan 8.150 nan 0.000 0.443 247 Y N 1.350 121.423 120.300 -0.378 0.000 2.114 247 Y HA -0.240 4.310 4.550 -0.000 0.000 0.284 247 Y C 1.871 177.630 175.900 -0.236 0.000 1.143 247 Y CA 2.140 60.043 58.100 -0.327 0.000 1.135 247 Y CB -0.274 37.947 38.460 -0.398 0.000 0.980 247 Y HN 0.354 nan 8.280 nan 0.000 0.499 248 D N -0.236 120.182 120.400 0.031 0.000 2.123 248 D HA -0.168 4.472 4.640 -0.000 0.000 0.196 248 D C 2.386 178.595 176.300 -0.152 0.000 0.992 248 D CA 1.593 55.570 54.000 -0.038 0.000 0.833 248 D CB -1.014 39.774 40.800 -0.019 0.000 0.954 248 D HN 0.546 nan 8.370 nan 0.000 0.455 249 G N 0.722 109.409 108.800 -0.189 0.000 2.446 249 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 249 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 249 G C 1.802 176.540 174.900 -0.271 0.000 1.168 249 G CA 0.542 45.506 45.100 -0.227 0.000 0.771 249 G HN 0.281 nan 8.290 nan 0.000 0.551 250 I N 0.301 120.657 120.570 -0.356 0.000 2.252 250 I HA -0.098 4.072 4.170 -0.000 0.000 0.245 250 I C 2.541 178.430 176.117 -0.381 0.000 1.102 250 I CA 0.901 61.929 61.300 -0.454 0.000 1.385 250 I CB -0.032 37.582 38.000 -0.643 0.000 1.064 250 I HN -0.045 nan 8.210 nan 0.000 0.414 251 K N 0.691 120.860 120.400 -0.384 0.000 2.283 251 K HA -0.075 4.245 4.320 -0.000 0.000 0.202 251 K C 2.166 178.663 176.600 -0.171 0.000 1.048 251 K CA 1.470 57.579 56.287 -0.297 0.000 0.948 251 K CB -0.548 31.753 32.500 -0.332 0.000 0.742 251 K HN 0.439 nan 8.250 nan 0.000 0.458 252 S N -0.621 114.983 115.700 -0.161 0.000 2.515 252 S HA -0.011 4.459 4.470 -0.000 0.000 0.231 252 S C 1.668 176.217 174.600 -0.086 0.000 0.987 252 S CA 0.504 58.637 58.200 -0.111 0.000 0.936 252 S CB 0.220 63.349 63.200 -0.118 0.000 0.766 252 S HN 0.002 nan 8.310 nan 0.000 0.528 253 V N -0.407 119.451 119.914 -0.093 0.000 3.426 253 V HA 0.431 4.551 4.120 -0.000 0.000 0.279 253 V C 0.264 176.351 176.094 -0.011 0.000 1.544 253 V CA 0.399 62.685 62.300 -0.024 0.000 1.017 253 V CB 1.047 32.864 31.823 -0.010 0.000 0.821 253 V HN 0.479 nan 8.190 nan 0.000 0.432 254 S N -1.079 114.582 115.700 -0.065 0.000 2.546 254 S HA 0.345 4.815 4.470 -0.000 0.000 0.274 254 S C 0.365 174.946 174.600 -0.031 0.000 1.121 254 S CA -0.354 57.829 58.200 -0.028 0.000 0.887 254 S CB 2.265 65.437 63.200 -0.046 0.000 1.094 254 S HN -0.053 nan 8.310 nan 0.000 0.474 255 K N 1.566 121.976 120.400 0.017 0.000 2.361 255 K HA 0.255 4.575 4.320 -0.000 0.000 0.194 255 K C 0.370 177.002 176.600 0.054 0.000 1.032 255 K CA 0.243 56.542 56.287 0.021 0.000 1.048 255 K CB -0.108 32.411 32.500 0.030 0.000 0.842 255 K HN 0.605 nan 8.250 nan 0.000 0.526 256 K N 1.523 121.981 120.400 0.096 0.000 2.180 256 K HA 0.174 4.494 4.320 -0.000 0.000 0.251 256 K C -2.670 174.048 176.600 0.196 0.000 1.014 256 K CA -1.737 54.638 56.287 0.148 0.000 0.913 256 K CB -0.111 32.488 32.500 0.166 0.000 1.008 256 K HN -0.027 nan 8.250 nan 0.000 0.490 257 P HA 0.059 nan 4.420 nan 0.000 0.271 257 P C -0.988 176.606 177.300 0.489 0.000 1.216 257 P CA -0.214 63.121 63.100 0.391 0.000 0.771 257 P CB 0.619 32.620 31.700 0.502 0.000 0.864 258 V N 3.374 123.520 119.914 0.386 0.000 2.443 258 V HA 0.693 4.813 4.120 -0.000 0.000 0.293 258 V C 0.705 176.853 176.094 0.090 0.000 1.021 258 V CA -0.200 62.258 62.300 0.264 0.000 0.848 258 V CB 1.413 33.198 31.823 -0.064 0.000 0.998 258 V HN 0.775 nan 8.190 nan 0.000 0.424 259 G N 3.559 112.122 108.800 -0.395 0.000 3.209 259 G HA2 0.875 4.835 3.960 -0.000 0.000 0.236 259 G HA3 0.875 4.835 3.960 -0.000 0.000 0.236 259 G C -1.278 173.261 174.900 -0.602 0.000 1.329 259 G CA -0.649 43.777 45.100 -1.123 0.000 1.015 259 G HN 0.604 nan 8.290 nan 0.000 0.571 260 I N -0.798 119.349 120.570 -0.705 0.000 2.894 260 I HA 0.538 4.708 4.170 -0.000 0.000 0.302 260 I C -1.380 174.582 176.117 -0.258 0.000 1.188 260 I CA -1.120 59.980 61.300 -0.334 0.000 1.014 260 I CB 2.516 40.325 38.000 -0.318 0.000 1.242 260 I HN 0.294 nan 8.210 nan 0.000 0.430 261 I N 5.942 126.465 120.570 -0.079 0.000 2.404 261 I HA 0.379 4.549 4.170 -0.000 0.000 0.293 261 I C -1.525 174.639 176.117 0.079 0.000 0.992 261 I CA -0.592 60.719 61.300 0.019 0.000 1.149 261 I CB 1.813 39.829 38.000 0.027 0.000 1.315 261 I HN 0.417 nan 8.210 nan 0.000 0.446 262 Y N 4.734 125.013 120.300 -0.035 0.000 2.524 262 Y HA 0.706 5.256 4.550 -0.000 0.000 0.347 262 Y C -0.487 175.408 175.900 -0.007 0.000 1.005 262 Y CA -0.925 57.145 58.100 -0.049 0.000 1.025 262 Y CB 1.911 40.434 38.460 0.105 0.000 1.275 262 Y HN 0.581 nan 8.280 nan 0.000 0.460 263 A N 5.041 127.589 122.820 -0.455 0.000 2.320 263 A HA 0.496 4.816 4.320 -0.000 0.000 0.287 263 A C -0.883 176.626 177.584 -0.126 0.000 1.181 263 A CA -0.456 51.425 52.037 -0.260 0.000 0.831 263 A CB -0.059 18.758 19.000 -0.305 0.000 1.102 263 A HN 0.728 nan 8.150 nan 0.000 0.513 264 N N 0.936 119.658 118.700 0.036 0.000 2.269 264 N HA 0.571 5.311 4.740 -0.000 0.000 0.304 264 N C -0.645 174.879 175.510 0.023 0.000 1.072 264 N CA -0.211 52.928 53.050 0.148 0.000 0.802 264 N CB 2.186 40.861 38.487 0.313 0.000 1.348 264 N HN 0.758 nan 8.380 nan 0.000 0.484 265 S N -0.438 115.202 115.700 -0.101 0.000 2.638 265 S HA 0.477 4.947 4.470 -0.000 0.000 0.302 265 S C -0.431 173.975 174.600 -0.323 0.000 1.096 265 S CA -0.708 57.341 58.200 -0.252 0.000 0.953 265 S CB 1.852 64.792 63.200 -0.433 0.000 1.107 265 S HN 0.284 nan 8.310 nan 0.000 0.503 266 S N 1.159 116.807 115.700 -0.087 0.000 2.430 266 S HA 0.520 4.990 4.470 -0.000 0.000 0.289 266 S C -1.128 173.310 174.600 -0.271 0.000 1.143 266 S CA -0.677 57.511 58.200 -0.020 0.000 1.067 266 S CB -0.907 62.475 63.200 0.303 0.000 0.964 266 S HN 0.456 nan 8.310 nan 0.000 0.485 267 F N 4.118 124.063 119.950 -0.008 0.000 2.438 267 F HA 0.425 4.952 4.527 -0.000 0.000 0.356 267 F C 1.012 176.772 175.800 -0.067 0.000 1.099 267 F CA -0.289 57.665 58.000 -0.076 0.000 1.185 267 F CB 0.849 39.769 39.000 -0.133 0.000 1.115 267 F HN 0.336 nan 8.300 nan 0.000 0.526 268 Q N 4.791 124.604 119.800 0.021 0.000 2.375 268 Q HA 0.382 4.722 4.340 -0.000 0.000 0.271 268 Q C -2.725 173.234 176.000 -0.068 0.000 1.074 268 Q CA -2.236 53.543 55.803 -0.040 0.000 0.808 268 Q CB 2.550 31.187 28.738 -0.168 0.000 1.327 268 Q HN 0.255 nan 8.270 nan 0.000 0.441 269 P HA 0.076 nan 4.420 nan 0.000 0.286 269 P C 0.527 177.772 177.300 -0.092 0.000 1.269 269 P CA -0.453 62.616 63.100 -0.050 0.000 0.787 269 P CB 1.094 32.783 31.700 -0.018 0.000 0.920 270 L N 3.647 124.808 121.223 -0.103 0.000 1.994 270 L HA -0.023 4.317 4.340 -0.000 0.000 0.208 270 L C 1.010 177.844 176.870 -0.060 0.000 1.071 270 L CA 2.487 57.250 54.840 -0.128 0.000 0.745 270 L CB -1.068 40.941 42.059 -0.083 0.000 0.892 270 L HN 0.572 nan 8.230 nan 0.000 0.431 271 T N -3.793 110.745 114.554 -0.026 0.000 2.927 271 T HA 0.299 4.649 4.350 -0.000 0.000 0.286 271 T C 0.522 175.221 174.700 -0.001 0.000 1.040 271 T CA -0.081 62.016 62.100 -0.004 0.000 1.010 271 T CB 1.125 69.997 68.868 0.007 0.000 1.177 271 T HN 0.360 nan 8.240 nan 0.000 0.546 272 D N -0.452 119.953 120.400 0.008 0.000 2.378 272 D HA -0.020 4.620 4.640 -0.000 0.000 0.227 272 D C 1.089 177.394 176.300 0.009 0.000 1.012 272 D CA 0.100 54.106 54.000 0.010 0.000 0.905 272 D CB -0.249 40.560 40.800 0.015 0.000 0.895 272 D HN 0.356 nan 8.370 nan 0.000 0.532 273 K N 0.149 120.553 120.400 0.008 0.000 2.437 273 K HA 0.088 4.408 4.320 -0.000 0.000 0.198 273 K C 0.274 176.877 176.600 0.006 0.000 1.024 273 K CA 0.087 56.379 56.287 0.008 0.000 1.148 273 K CB 0.106 32.612 32.500 0.010 0.000 0.860 273 K HN 0.334 nan 8.250 nan 0.000 0.515 274 D N -0.136 120.265 120.400 0.002 0.000 2.501 274 D HA 0.238 4.878 4.640 -0.000 0.000 0.224 274 D C 1.130 177.423 176.300 -0.012 0.000 1.202 274 D CA -0.043 53.955 54.000 -0.003 0.000 0.829 274 D CB 0.425 41.221 40.800 -0.007 0.000 1.023 274 D HN 0.210 nan 8.370 nan 0.000 0.499 275 M N 0.073 119.670 119.600 -0.006 0.000 2.229 275 M HA -0.079 4.401 4.480 -0.000 0.000 0.264 275 M C 1.968 178.255 176.300 -0.020 0.000 1.063 275 M CA 1.089 56.385 55.300 -0.007 0.000 1.114 275 M CB -0.012 32.591 32.600 0.005 0.000 1.387 275 M HN 0.045 nan 8.290 nan 0.000 0.420 276 E N 0.541 120.729 120.200 -0.019 0.000 2.107 276 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 276 E C 1.956 178.520 176.600 -0.060 0.000 0.982 276 E CA 0.970 57.355 56.400 -0.027 0.000 0.809 276 E CB 0.161 29.856 29.700 -0.010 0.000 0.756 276 E HN 0.427 nan 8.360 nan 0.000 0.459 277 A N 0.674 123.460 122.820 -0.057 0.000 1.908 277 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 277 A C 2.393 179.808 177.584 -0.282 0.000 1.181 277 A CA 1.489 53.462 52.037 -0.107 0.000 0.627 277 A CB -0.714 18.272 19.000 -0.023 0.000 0.818 277 A HN 0.211 nan 8.150 nan 0.000 0.445 278 V N -0.241 119.565 119.914 -0.180 0.000 2.343 278 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 278 V C 2.431 178.372 176.094 -0.254 0.000 1.051 278 V CA 2.322 64.509 62.300 -0.189 0.000 1.036 278 V CB -0.751 31.047 31.823 -0.041 0.000 0.654 278 V HN 0.650 nan 8.190 nan 0.000 0.451 279 E N -0.453 119.655 120.200 -0.152 0.000 2.077 279 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 279 E C 2.255 178.760 176.600 -0.160 0.000 0.989 279 E CA 1.517 57.862 56.400 -0.092 0.000 0.800 279 E CB -0.204 29.486 29.700 -0.017 0.000 0.746 279 E HN 0.542 nan 8.360 nan 0.000 0.452 280 M N 0.268 119.735 119.600 -0.221 0.000 2.117 280 M HA -0.173 4.307 4.480 -0.000 0.000 0.262 280 M C 2.484 178.496 176.300 -0.480 0.000 1.065 280 M CA 1.522 56.684 55.300 -0.230 0.000 1.114 280 M CB -0.248 32.281 32.600 -0.119 0.000 1.361 280 M HN 0.126 nan 8.290 nan 0.000 0.408 281 A N 0.425 122.642 122.820 -1.005 0.000 1.902 281 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 281 A C 1.945 178.867 177.584 -1.105 0.000 1.181 281 A CA 1.877 53.116 52.037 -1.329 0.000 0.623 281 A CB -0.714 17.309 19.000 -1.628 0.000 0.818 281 A HN 0.547 nan 8.150 nan 0.000 0.443 282 E N -0.096 119.584 120.200 -0.865 0.000 2.110 282 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 282 E C 1.837 178.129 176.600 -0.515 0.000 0.988 282 E CA 1.050 57.032 56.400 -0.697 0.000 0.804 282 E CB -0.200 29.210 29.700 -0.484 0.000 0.745 282 E HN 0.541 nan 8.360 nan 0.000 0.458 283 N N 1.252 119.856 118.700 -0.161 0.000 2.043 283 N HA -0.156 4.584 4.740 -0.000 0.000 0.193 283 N C 1.320 176.936 175.510 0.177 0.000 1.037 283 N CA 1.375 54.503 53.050 0.129 0.000 0.851 283 N CB -0.345 38.221 38.487 0.133 0.000 1.027 283 N HN 0.136 nan 8.380 nan 0.000 0.422 284 D N -0.044 120.370 120.400 0.024 0.000 2.269 284 D HA 0.020 4.660 4.640 -0.000 0.000 0.208 284 D C 0.950 177.349 176.300 0.166 0.000 0.963 284 D CA 0.643 54.656 54.000 0.023 0.000 0.864 284 D CB -0.096 40.709 40.800 0.008 0.000 0.936 284 D HN 0.325 nan 8.370 nan 0.000 0.505 285 N N -0.618 118.191 118.700 0.182 0.000 2.210 285 N HA 0.117 4.857 4.740 -0.000 0.000 0.203 285 N C 1.381 177.150 175.510 0.431 0.000 1.175 285 N CA 0.069 53.315 53.050 0.326 0.000 0.894 285 N CB 1.775 40.396 38.487 0.224 0.000 1.041 285 N HN 0.081 nan 8.380 nan 0.000 0.506 286 R N -0.736 119.904 120.500 0.234 0.000 3.372 286 R HA 0.171 4.511 4.340 -0.000 0.000 0.150 286 R C 1.023 177.409 176.300 0.144 0.000 0.739 286 R CA -0.053 56.071 56.100 0.039 0.000 1.041 286 R CB -0.216 29.801 30.300 -0.472 0.000 1.530 286 R HN -0.019 nan 8.270 nan 0.000 0.534 287 W N 1.625 123.052 121.300 0.211 0.000 2.381 287 W HA -0.158 4.502 4.660 -0.000 0.000 0.301 287 W C 2.030 178.669 176.519 0.200 0.000 1.205 287 W CA 0.447 57.915 57.345 0.205 0.000 1.285 287 W CB -0.410 29.120 29.460 0.116 0.000 1.133 287 W HN 0.353 nan 8.180 nan 0.000 0.521 288 W N 0.713 122.221 121.300 0.346 0.000 2.305 288 W HA -0.326 4.334 4.660 -0.000 0.000 0.308 288 W C 1.789 178.416 176.519 0.180 0.000 1.226 288 W CA 1.318 58.792 57.345 0.215 0.000 1.253 288 W CB -1.966 27.585 29.460 0.153 0.000 1.146 288 W HN 0.053 nan 8.180 nan 0.000 0.507 289 F N 0.587 119.777 119.950 -1.267 0.000 2.084 289 F HA -0.065 4.462 4.527 -0.000 0.000 0.296 289 F C 2.312 177.645 175.800 -0.779 0.000 1.111 289 F CA 2.158 59.309 58.000 -1.414 0.000 1.224 289 F CB -0.957 37.167 39.000 -1.460 0.000 0.991 289 F HN -0.269 nan 8.300 nan 0.000 0.471 290 F N 0.610 120.437 119.950 -0.205 0.000 2.293 290 F HA -0.103 4.424 4.527 0.000 0.000 0.297 290 F C 2.098 177.734 175.800 -0.273 0.000 1.089 290 F CA 1.024 58.883 58.000 -0.236 0.000 1.377 290 F CB -0.605 38.362 39.000 -0.054 0.000 1.051 290 F HN -0.070 nan 8.300 nan 0.000 0.511 291 D N 0.236 120.702 120.400 0.110 0.000 2.218 291 D HA -0.144 4.496 4.640 -0.000 0.000 0.204 291 D C 2.280 178.523 176.300 -0.096 0.000 0.976 291 D CA 1.199 55.233 54.000 0.056 0.000 0.853 291 D CB -0.446 40.442 40.800 0.145 0.000 0.939 291 D HN 0.250 nan 8.370 nan 0.000 0.481 292 A N 0.987 123.675 122.820 -0.221 0.000 1.855 292 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 292 A C 2.205 179.580 177.584 -0.349 0.000 1.191 292 A CA 1.311 53.173 52.037 -0.292 0.000 0.613 292 A CB -0.652 18.095 19.000 -0.421 0.000 0.829 292 A HN 0.391 nan 8.150 nan 0.000 0.442 293 I N -4.108 116.168 120.570 -0.490 0.000 3.728 293 I HA 0.247 4.417 4.170 -0.000 0.000 0.307 293 I C 1.549 177.470 176.117 -0.325 0.000 1.276 293 I CA 0.626 61.666 61.300 -0.432 0.000 1.285 293 I CB 0.098 37.739 38.000 -0.598 0.000 1.038 293 I HN 0.185 nan 8.210 nan 0.000 0.445 294 I N 0.488 120.881 120.570 -0.295 0.000 3.300 294 I HA 0.151 4.321 4.170 -0.000 0.000 0.279 294 I C 2.203 178.221 176.117 -0.165 0.000 1.172 294 I CA 0.306 61.457 61.300 -0.248 0.000 1.431 294 I CB 0.100 37.893 38.000 -0.345 0.000 1.240 294 I HN -0.005 nan 8.210 nan 0.000 0.453 295 R N 0.522 120.944 120.500 -0.131 0.000 2.404 295 R HA 0.290 4.630 4.340 -0.000 0.000 0.237 295 R C 1.185 177.439 176.300 -0.075 0.000 0.907 295 R CA 0.610 56.666 56.100 -0.073 0.000 1.063 295 R CB 0.908 31.195 30.300 -0.021 0.000 1.134 295 R HN 0.366 nan 8.270 nan 0.000 0.529 296 G N 1.746 110.479 108.800 -0.110 0.000 2.162 296 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.260 296 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.260 296 G C -0.251 174.610 174.900 -0.065 0.000 0.976 296 G CA 0.086 45.125 45.100 -0.101 0.000 0.655 296 G HN 0.374 nan 8.290 nan 0.000 0.533 297 E N -0.368 119.804 120.200 -0.046 0.000 2.259 297 E HA 0.703 5.053 4.350 -0.000 0.000 0.281 297 E C 0.121 176.736 176.600 0.024 0.000 1.037 297 E CA -0.152 56.248 56.400 0.000 0.000 0.854 297 E CB 1.489 31.204 29.700 0.024 0.000 1.051 297 E HN 0.451 nan 8.360 nan 0.000 0.409 298 I N 1.184 121.788 120.570 0.057 0.000 3.181 298 I HA 0.256 4.426 4.170 -0.000 0.000 0.311 298 I C -1.247 174.950 176.117 0.133 0.000 1.287 298 I CA -0.401 60.969 61.300 0.117 0.000 0.958 298 I CB 2.687 40.745 38.000 0.098 0.000 1.294 298 I HN 0.335 nan 8.210 nan 0.000 0.467 299 T N 4.010 118.666 114.554 0.171 0.000 2.792 299 T HA 0.455 4.805 4.350 -0.000 0.000 0.280 299 T C -0.719 174.044 174.700 0.106 0.000 0.990 299 T CA -0.434 61.730 62.100 0.108 0.000 0.960 299 T CB 0.988 69.894 68.868 0.064 0.000 0.939 299 T HN 0.436 nan 8.240 nan 0.000 0.439 300 R N 2.371 122.889 120.500 0.031 0.000 2.407 300 R HA 0.506 4.846 4.340 -0.000 0.000 0.298 300 R C 0.941 177.175 176.300 -0.109 0.000 1.166 300 R CA 0.394 56.440 56.100 -0.090 0.000 1.006 300 R CB -0.026 30.255 30.300 -0.031 0.000 1.145 300 R HN 0.980 nan 8.270 nan 0.000 0.538 301 G N 2.344 111.062 108.800 -0.137 0.000 5.347 301 G HA2 -0.475 3.485 3.960 -0.000 0.000 0.299 301 G HA3 -0.475 3.485 3.960 -0.000 0.000 0.299 301 G C 0.438 175.296 174.900 -0.070 0.000 1.492 301 G CA 0.559 45.597 45.100 -0.104 0.000 0.991 301 G HN 0.710 nan 8.290 nan 0.000 0.749 302 N N 0.941 119.611 118.700 -0.050 0.000 2.116 302 N HA 0.533 5.273 4.740 -0.000 0.000 0.230 302 N C 0.143 175.639 175.510 -0.023 0.000 1.326 302 N CA 1.233 54.260 53.050 -0.037 0.000 0.867 302 N CB 0.512 nan 38.487 nan 0.000 1.174 302 N HN 0.886 nan 8.380 nan 0.000 0.506 303 E N -0.197 119.994 120.200 -0.016 0.000 2.266 303 E HA 0.615 4.965 4.350 -0.000 0.000 0.268 303 E C -0.509 176.099 176.600 0.013 0.000 0.879 303 E CA -0.811 55.587 56.400 -0.003 0.000 0.762 303 E CB 1.627 31.325 29.700 -0.004 0.000 1.199 303 E HN 0.307 nan 8.360 nan 0.000 0.422 304 K N 3.297 123.707 120.400 0.016 0.000 2.250 304 K HA 0.416 4.736 4.320 -0.000 0.000 0.280 304 K C -0.093 176.523 176.600 0.026 0.000 1.098 304 K CA -0.363 55.941 56.287 0.029 0.000 0.916 304 K CB -0.523 nan 32.500 nan 0.000 1.209 304 K HN 0.603 nan 8.250 nan 0.000 0.461 305 I N -1.768 118.823 120.570 0.035 0.000 2.982 305 I HA 0.796 4.966 4.170 -0.000 0.000 0.312 305 I C -0.650 175.480 176.117 0.022 0.000 1.041 305 I CA -1.210 60.106 61.300 0.027 0.000 1.053 305 I CB 2.311 40.331 38.000 0.034 0.000 1.248 305 I HN 0.150 nan 8.210 nan 0.000 0.471 306 V N 3.419 123.338 119.914 0.009 0.000 2.409 306 V HA 0.489 4.609 4.120 -0.000 0.000 0.291 306 V C -0.071 176.018 176.094 -0.008 0.000 1.020 306 V CA -0.551 61.746 62.300 -0.004 0.000 0.848 306 V CB 1.379 33.196 31.823 -0.010 0.000 0.990 306 V HN 0.671 nan 8.190 nan 0.000 0.430 307 R N 2.816 123.303 120.500 -0.021 0.000 2.265 307 R HA 0.327 4.667 4.340 -0.000 0.000 0.328 307 R C 0.130 176.404 176.300 -0.044 0.000 0.969 307 R CA -0.579 55.505 56.100 -0.027 0.000 0.832 307 R CB 1.230 31.511 30.300 -0.032 0.000 1.139 307 R HN 0.694 nan 8.270 nan 0.000 0.457 308 D N 1.778 122.158 120.400 -0.034 0.000 2.264 308 D HA -0.178 4.462 4.640 -0.000 0.000 0.208 308 D C 1.072 177.343 176.300 -0.049 0.000 0.966 308 D CA 1.262 55.239 54.000 -0.039 0.000 0.864 308 D CB 0.241 41.026 40.800 -0.025 0.000 0.933 308 D HN 0.658 nan 8.370 nan 0.000 0.499 309 D N 0.475 120.846 120.400 -0.048 0.000 2.347 309 D HA -0.088 4.552 4.640 -0.000 0.000 0.213 309 D C 2.012 178.255 176.300 -0.094 0.000 0.985 309 D CA 0.190 54.156 54.000 -0.056 0.000 0.879 309 D CB -0.073 40.705 40.800 -0.036 0.000 0.919 309 D HN 0.261 nan 8.370 nan 0.000 0.526 310 L N -0.143 121.012 121.223 -0.113 0.000 2.253 310 L HA 0.113 4.453 4.340 -0.000 0.000 0.205 310 L C 1.502 178.265 176.870 -0.178 0.000 1.078 310 L CA -0.101 54.642 54.840 -0.161 0.000 0.805 310 L CB -0.245 41.707 42.059 -0.179 0.000 0.963 310 L HN -0.187 nan 8.230 nan 0.000 0.459 311 K N 1.001 121.318 120.400 -0.139 0.000 2.511 311 K HA 0.077 4.397 4.320 -0.000 0.000 0.280 311 K C 0.992 177.495 176.600 -0.161 0.000 1.008 311 K CA 0.943 57.150 56.287 -0.133 0.000 1.050 311 K CB 0.232 32.679 32.500 -0.088 0.000 0.889 311 K HN 0.292 nan 8.250 nan 0.000 0.484 312 G N 3.406 112.097 108.800 -0.180 0.000 2.148 312 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.254 312 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.254 312 G C 0.101 174.782 174.900 -0.365 0.000 0.981 312 G CA 0.205 45.188 45.100 -0.195 0.000 0.670 312 G HN 0.607 nan 8.290 nan 0.000 0.528 313 R N -0.637 119.571 120.500 -0.486 0.000 4.680 313 R HA 0.680 5.020 4.340 -0.000 0.000 0.222 313 R C -0.295 175.520 176.300 -0.807 0.000 1.803 313 R CA -0.022 55.489 56.100 -0.982 0.000 1.560 313 R CB -0.018 29.879 30.300 -0.671 0.000 1.412 313 R HN 0.365 nan 8.270 nan 0.000 0.815 314 L N -0.576 120.316 121.223 -0.553 0.000 2.611 314 L HA 0.279 4.619 4.340 -0.000 0.000 0.260 314 L C -0.713 176.162 176.870 0.008 0.000 0.924 314 L CA -0.026 54.719 54.840 -0.158 0.000 0.901 314 L CB 2.241 44.204 42.059 -0.160 0.000 1.369 314 L HN 0.112 nan 8.230 nan 0.000 0.415 315 D N 2.903 123.386 120.400 0.138 0.000 2.422 315 D HA 0.168 4.808 4.640 -0.000 0.000 0.218 315 D C -0.553 175.809 176.300 0.103 0.000 1.047 315 D CA 0.883 55.014 54.000 0.219 0.000 0.885 315 D CB 0.582 41.626 40.800 0.406 0.000 1.035 315 D HN 0.484 nan 8.370 nan 0.000 0.502 316 W N 0.283 121.477 121.300 -0.178 0.000 3.146 316 W HA 0.515 5.175 4.660 -0.000 0.000 0.319 316 W C -2.146 174.270 176.519 -0.171 0.000 1.258 316 W CA -0.910 56.177 57.345 -0.430 0.000 1.189 316 W CB 0.307 29.229 29.460 -0.897 0.000 1.412 316 W HN -0.409 nan 8.180 nan 0.000 0.567 317 I N 2.300 122.919 120.570 0.081 0.000 2.406 317 I HA 0.456 4.626 4.170 -0.000 0.000 0.290 317 I C 0.609 176.836 176.117 0.185 0.000 0.999 317 I CA -0.772 60.475 61.300 -0.088 0.000 1.124 317 I CB 1.998 39.778 38.000 -0.366 0.000 1.289 317 I HN 0.621 nan 8.210 nan 0.000 0.441 318 G N 5.920 114.784 108.800 0.108 0.000 2.329 318 G HA2 0.483 4.443 3.960 -0.000 0.000 0.309 318 G HA3 0.483 4.443 3.960 -0.000 0.000 0.309 318 G C -0.499 174.480 174.900 0.132 0.000 1.110 318 G CA -0.253 45.046 45.100 0.331 0.000 0.923 318 G HN 0.351 nan 8.290 nan 0.000 0.430 319 V N 3.948 123.941 119.914 0.132 0.000 2.364 319 V HA 0.212 4.332 4.120 -0.000 0.000 0.272 319 V C -0.316 175.850 176.094 0.121 0.000 1.036 319 V CA -1.014 61.346 62.300 0.100 0.000 0.880 319 V CB 0.826 32.715 31.823 0.110 0.000 0.991 319 V HN 0.604 nan 8.190 nan 0.000 0.460 320 N N 3.712 122.472 118.700 0.099 0.000 2.430 320 N HA 0.572 5.312 4.740 -0.000 0.000 0.292 320 N C -1.152 174.364 175.510 0.009 0.000 1.051 320 N CA -0.355 52.687 53.050 -0.013 0.000 0.917 320 N CB 1.604 40.049 38.487 -0.070 0.000 1.164 320 N HN 0.713 nan 8.380 nan 0.000 0.484 321 Y N 1.807 121.925 120.300 -0.303 0.000 2.442 321 Y HA 0.308 4.858 4.550 -0.000 0.000 0.330 321 Y C -1.065 174.596 175.900 -0.399 0.000 1.100 321 Y CA -0.550 57.425 58.100 -0.210 0.000 1.034 321 Y CB 0.653 39.120 38.460 0.011 0.000 1.285 321 Y HN 0.572 nan 8.280 nan 0.000 0.440 322 Y N 2.046 121.887 120.300 -0.765 0.000 2.701 322 Y HA 0.404 4.954 4.550 -0.000 0.000 0.275 322 Y C 1.025 176.590 175.900 -0.558 0.000 1.133 322 Y CA 0.757 58.606 58.100 -0.418 0.000 1.241 322 Y CB 1.108 39.440 38.460 -0.213 0.000 1.389 322 Y HN 0.615 nan 8.280 nan 0.000 0.486 323 T N -0.474 113.644 114.554 -0.727 0.000 2.661 323 T HA 0.446 4.796 4.350 -0.000 0.000 0.305 323 T C -1.535 173.079 174.700 -0.144 0.000 1.441 323 T CA -0.959 61.037 62.100 -0.174 0.000 0.999 323 T CB 1.030 69.931 68.868 0.054 0.000 1.650 323 T HN 0.188 nan 8.240 nan 0.000 0.489 324 R N 0.091 120.575 120.500 -0.025 0.000 2.608 324 R HA 0.843 5.183 4.340 -0.000 0.000 0.255 324 R C -0.971 175.143 176.300 -0.310 0.000 1.086 324 R CA -0.647 55.347 56.100 -0.176 0.000 1.125 324 R CB 0.747 30.750 30.300 -0.495 0.000 1.193 324 R HN 0.460 nan 8.270 nan 0.000 0.553 325 T N 0.806 115.127 114.554 -0.389 0.000 2.879 325 T HA 0.309 4.659 4.350 -0.000 0.000 0.290 325 T C -0.899 173.683 174.700 -0.197 0.000 0.993 325 T CA -0.692 61.223 62.100 -0.309 0.000 0.975 325 T CB 1.762 70.435 68.868 -0.326 0.000 0.981 325 T HN 0.334 nan 8.240 nan 0.000 0.439 326 V N 4.653 124.452 119.914 -0.193 0.000 2.432 326 V HA 0.579 4.699 4.120 -0.000 0.000 0.275 326 V C 0.264 176.312 176.094 -0.077 0.000 1.043 326 V CA -0.503 61.648 62.300 -0.248 0.000 0.925 326 V CB 1.157 32.589 31.823 -0.652 0.000 0.985 326 V HN 0.766 nan 8.190 nan 0.000 0.466 327 V N 2.983 122.880 119.914 -0.028 0.000 2.864 327 V HA 0.862 4.982 4.120 -0.000 0.000 0.314 327 V C -0.646 175.463 176.094 0.026 0.000 1.073 327 V CA -1.045 61.288 62.300 0.056 0.000 0.956 327 V CB 1.840 33.706 31.823 0.071 0.000 1.023 327 V HN 0.955 nan 8.190 nan 0.000 0.435 328 K N 1.101 121.545 120.400 0.073 0.000 2.435 328 K HA 0.907 5.227 4.320 -0.000 0.000 0.251 328 K C -0.243 176.409 176.600 0.086 0.000 0.954 328 K CA -0.622 55.696 56.287 0.052 0.000 0.820 328 K CB 1.963 34.486 32.500 0.038 0.000 1.292 328 K HN 1.102 nan 8.250 nan 0.000 0.436 329 R N 1.154 121.690 120.500 0.059 0.000 2.537 329 R HA 0.298 4.638 4.340 -0.000 0.000 0.280 329 R C -0.281 176.049 176.300 0.050 0.000 1.058 329 R CA 0.235 56.373 56.100 0.064 0.000 1.057 329 R CB -0.156 nan 30.300 nan 0.000 0.973 329 R HN 0.740 nan 8.270 nan 0.000 0.438 330 T N 0.919 115.500 114.554 0.045 0.000 2.927 330 T HA 0.554 4.904 4.350 -0.000 0.000 0.286 330 T C 1.867 176.573 174.700 0.009 0.000 1.040 330 T CA 0.095 62.205 62.100 0.016 0.000 1.010 330 T CB 1.600 70.464 68.868 -0.007 0.000 1.177 330 T HN 0.828 nan 8.240 nan 0.000 0.546 331 E N 0.654 120.854 120.200 -0.000 0.000 2.031 331 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 331 E C 2.230 178.824 176.600 -0.011 0.000 0.994 331 E CA 2.075 58.473 56.400 -0.003 0.000 0.800 331 E CB -1.335 nan 29.700 nan 0.000 0.752 331 E HN 0.709 nan 8.360 nan 0.000 0.447 332 K N -0.158 120.228 120.400 -0.023 0.000 2.504 332 K HA 0.446 4.766 4.320 -0.000 0.000 0.195 332 K C 1.694 178.265 176.600 -0.048 0.000 1.036 332 K CA 1.634 57.898 56.287 -0.039 0.000 0.984 332 K CB -0.357 nan 32.500 nan 0.000 0.788 332 K HN 1.245 nan 8.250 nan 0.000 0.488 333 G N -1.612 107.173 108.800 -0.026 0.000 1.876 333 G HA2 0.276 4.236 3.960 -0.000 0.000 0.059 333 G HA3 0.276 4.236 3.960 -0.000 0.000 0.059 333 G C -0.711 174.239 174.900 0.085 0.000 0.755 333 G CA 0.278 45.383 45.100 0.007 0.000 1.092 333 G HN 1.176 nan 8.290 nan 0.000 0.322 334 Y N -0.293 119.978 120.300 -0.047 0.000 2.609 334 Y HA 0.781 5.331 4.550 -0.000 0.000 0.336 334 Y C -0.668 175.212 175.900 -0.034 0.000 1.129 334 Y CA -0.977 57.098 58.100 -0.042 0.000 1.040 334 Y CB 1.553 39.978 38.460 -0.058 0.000 1.310 334 Y HN 1.274 nan 8.280 nan 0.000 0.460 335 V N -0.787 119.184 119.914 0.095 0.000 3.007 335 V HA 0.783 4.903 4.120 -0.000 0.000 0.311 335 V C -0.474 175.727 176.094 0.178 0.000 1.120 335 V CA -0.987 61.332 62.300 0.031 0.000 0.980 335 V CB 1.427 33.245 31.823 -0.007 0.000 1.033 335 V HN 0.938 nan 8.190 nan 0.000 0.429 336 S N 2.882 118.672 115.700 0.150 0.000 2.601 336 S HA 0.730 5.200 4.470 -0.000 0.000 0.271 336 S C -0.302 174.352 174.600 0.089 0.000 1.305 336 S CA -0.483 57.798 58.200 0.136 0.000 1.022 336 S CB 0.852 64.127 63.200 0.124 0.000 0.940 336 S HN 0.635 nan 8.310 nan 0.000 0.525 337 L N 1.802 123.080 121.223 0.091 0.000 2.317 337 L HA 0.570 4.910 4.340 -0.000 0.000 0.281 337 L C 0.993 177.952 176.870 0.148 0.000 1.024 337 L CA -0.754 54.169 54.840 0.138 0.000 0.810 337 L CB 1.140 43.326 42.059 0.211 0.000 1.240 337 L HN 0.764 nan 8.230 nan 0.000 0.427 338 G N 0.126 108.985 108.800 0.100 0.000 2.569 338 G HA2 0.420 4.380 3.960 -0.000 0.000 0.249 338 G HA3 0.420 4.380 3.960 -0.000 0.000 0.249 338 G C 0.845 175.748 174.900 0.005 0.000 1.216 338 G CA 0.406 45.539 45.100 0.054 0.000 0.845 338 G HN 1.017 nan 8.290 nan 0.000 0.568 339 G N -1.078 107.686 108.800 -0.059 0.000 2.176 339 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.253 339 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.253 339 G C 0.043 174.686 174.900 -0.429 0.000 0.979 339 G CA 0.841 45.803 45.100 -0.229 0.000 0.641 339 G HN 0.830 nan 8.290 nan 0.000 0.530 340 Y N -0.822 119.463 120.300 -0.025 0.000 2.605 340 Y HA 0.597 5.147 4.550 -0.000 0.000 0.343 340 Y C 1.351 177.191 175.900 -0.099 0.000 1.036 340 Y CA 0.078 58.145 58.100 -0.054 0.000 1.065 340 Y CB 1.201 39.601 38.460 -0.100 0.000 1.288 340 Y HN 1.115 nan 8.280 nan 0.000 0.481 341 G N 1.124 109.971 108.800 0.079 0.000 2.622 341 G HA2 -0.426 3.534 3.960 -0.000 0.000 0.307 341 G HA3 -0.426 3.534 3.960 -0.000 0.000 0.307 341 G C 0.519 175.406 174.900 -0.021 0.000 1.226 341 G CA 1.133 46.198 45.100 -0.059 0.000 0.997 341 G HN 1.244 nan 8.290 nan 0.000 0.551 342 H N 0.424 119.442 119.070 -0.086 0.000 2.539 342 H HA 0.483 5.039 4.556 -0.000 0.000 0.267 342 H C 1.763 177.152 175.328 0.102 0.000 0.982 342 H CA 1.055 57.029 56.048 -0.123 0.000 1.146 342 H CB -0.283 29.114 29.762 -0.608 0.000 1.382 342 H HN 0.842 nan 8.280 nan 0.000 0.577 343 G N 0.430 109.255 108.800 0.042 0.000 3.949 343 G HA2 0.295 4.255 3.960 -0.000 0.000 0.295 343 G HA3 0.295 4.255 3.960 -0.000 0.000 0.295 343 G C -0.457 174.506 174.900 0.106 0.000 1.286 343 G CA -0.247 44.920 45.100 0.111 0.000 1.171 343 G HN 0.396 nan 8.290 nan 0.000 0.586 344 C N -0.476 118.918 119.300 0.156 0.000 2.407 344 C HA 0.531 4.991 4.460 -0.000 0.000 0.366 344 C C 0.599 175.670 174.990 0.134 0.000 1.213 344 C CA -1.053 58.035 59.018 0.116 0.000 2.011 344 C CB 1.574 29.386 27.740 0.120 0.000 2.306 344 C HN 0.517 nan 8.230 nan 0.000 0.527 345 E N 0.424 120.681 120.200 0.096 0.000 2.398 345 E HA 0.156 4.506 4.350 -0.000 0.000 0.263 345 E C -0.181 176.483 176.600 0.106 0.000 1.046 345 E CA 0.128 56.583 56.400 0.092 0.000 0.908 345 E CB 0.515 30.255 29.700 0.067 0.000 0.963 345 E HN 0.415 nan 8.360 nan 0.000 0.431 346 R N 1.967 122.522 120.500 0.092 0.000 2.543 346 R HA 0.072 4.412 4.340 -0.000 0.000 0.277 346 R C -0.147 176.192 176.300 0.065 0.000 1.074 346 R CA -0.085 56.059 56.100 0.073 0.000 1.076 346 R CB 0.021 30.343 30.300 0.037 0.000 0.993 346 R HN 0.618 nan 8.270 nan 0.000 0.459 347 N N 0.010 118.751 118.700 0.069 0.000 2.688 347 N HA -0.243 4.497 4.740 -0.000 0.000 0.258 347 N C -0.862 174.702 175.510 0.090 0.000 1.016 347 N CA 0.970 54.067 53.050 0.078 0.000 0.747 347 N CB -0.432 38.090 38.487 0.059 0.000 0.895 347 N HN 0.563 nan 8.380 nan 0.000 0.543 348 S N -1.459 114.306 115.700 0.107 0.000 3.341 348 S HA 0.778 5.248 4.470 -0.000 0.000 0.326 348 S C -1.330 173.338 174.600 0.114 0.000 1.178 348 S CA -0.484 57.785 58.200 0.114 0.000 1.002 348 S CB 1.584 64.839 63.200 0.092 0.000 1.385 348 S HN 0.022 nan 8.310 nan 0.000 0.710 349 V N 2.047 122.012 119.914 0.085 0.000 2.876 349 V HA 0.648 4.768 4.120 -0.000 0.000 0.312 349 V C 0.077 176.188 176.094 0.030 0.000 1.085 349 V CA -0.329 62.000 62.300 0.050 0.000 0.945 349 V CB 2.008 33.817 31.823 -0.023 0.000 1.017 349 V HN 1.035 nan 8.190 nan 0.000 0.428 350 S N 4.165 119.885 115.700 0.033 0.000 2.634 350 S HA 0.387 4.857 4.470 -0.000 0.000 0.261 350 S C 1.087 175.618 174.600 -0.115 0.000 1.271 350 S CA -0.457 57.722 58.200 -0.035 0.000 0.985 350 S CB 0.515 63.726 63.200 0.019 0.000 0.968 350 S HN 0.557 nan 8.310 nan 0.000 0.568 351 L N 0.227 121.267 121.223 -0.305 0.000 2.349 351 L HA -0.052 4.288 4.340 -0.000 0.000 0.220 351 L C 2.470 179.267 176.870 -0.121 0.000 1.130 351 L CA 1.264 55.922 54.840 -0.305 0.000 0.791 351 L CB -0.813 40.901 42.059 -0.575 0.000 0.918 351 L HN 0.904 nan 8.230 nan 0.000 0.444 352 A N -0.473 122.340 122.820 -0.011 0.000 2.307 352 A HA 0.376 4.696 4.320 -0.000 0.000 0.218 352 A C 1.671 179.307 177.584 0.087 0.000 1.228 352 A CA 0.538 52.660 52.037 0.140 0.000 0.857 352 A CB -0.359 18.812 19.000 0.284 0.000 0.897 352 A HN 0.471 nan 8.150 nan 0.000 0.495 353 G N -0.925 107.893 108.800 0.030 0.000 2.153 353 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.252 353 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.252 353 G C -0.003 174.915 174.900 0.030 0.000 0.994 353 G CA 0.509 45.610 45.100 0.002 0.000 0.698 353 G HN 0.467 nan 8.290 nan 0.000 0.521 354 L N 1.512 122.792 121.223 0.095 0.000 2.325 354 L HA 0.511 4.851 4.340 -0.000 0.000 0.279 354 L C -1.562 175.394 176.870 0.145 0.000 1.054 354 L CA -2.473 52.455 54.840 0.147 0.000 0.804 354 L CB 1.502 43.730 42.059 0.281 0.000 1.200 354 L HN -0.080 nan 8.230 nan 0.000 0.436 355 P HA 0.111 nan 4.420 nan 0.000 0.275 355 P C -0.715 176.733 177.300 0.246 0.000 1.227 355 P CA -0.311 62.865 63.100 0.128 0.000 0.781 355 P CB 0.929 32.649 31.700 0.035 0.000 0.906 356 T N -0.918 113.763 114.554 0.212 0.000 2.952 356 T HA 0.546 4.896 4.350 -0.000 0.000 0.286 356 T C 0.518 175.343 174.700 0.208 0.000 1.024 356 T CA -0.610 61.638 62.100 0.246 0.000 1.029 356 T CB 0.783 69.773 68.868 0.205 0.000 1.094 356 T HN 0.457 nan 8.240 nan 0.000 0.515 357 S N 0.527 116.346 115.700 0.198 0.000 2.671 357 S HA 0.273 4.743 4.470 -0.000 0.000 0.272 357 S C 0.499 175.096 174.600 -0.005 0.000 1.174 357 S CA -0.489 57.762 58.200 0.085 0.000 1.004 357 S CB 0.251 63.466 63.200 0.026 0.000 1.077 357 S HN 0.663 nan 8.310 nan 0.000 0.553 358 D N -0.243 120.092 120.400 -0.108 0.000 2.265 358 D HA -0.006 4.634 4.640 -0.000 0.000 0.208 358 D C 0.806 176.991 176.300 -0.192 0.000 0.977 358 D CA 0.999 54.904 54.000 -0.158 0.000 0.871 358 D CB -0.301 40.349 40.800 -0.250 0.000 0.925 358 D HN 0.502 nan 8.370 nan 0.000 0.485 359 F N -0.332 119.361 119.950 -0.427 0.000 2.721 359 F HA 0.304 4.831 4.527 -0.000 0.000 0.301 359 F C 1.620 177.190 175.800 -0.382 0.000 1.096 359 F CA 0.181 57.822 58.000 -0.599 0.000 1.308 359 F CB 0.438 38.605 39.000 -1.389 0.000 1.086 359 F HN 0.031 nan 8.300 nan 0.000 0.587 360 G N -0.271 108.565 108.800 0.061 0.000 2.149 360 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.235 360 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.235 360 G C -0.414 174.743 174.900 0.429 0.000 1.018 360 G CA -0.249 44.982 45.100 0.218 0.000 0.728 360 G HN 0.104 nan 8.290 nan 0.000 0.508 361 W N 0.923 122.324 121.300 0.169 0.000 2.433 361 W HA 0.634 5.294 4.660 -0.000 0.000 0.315 361 W C 0.452 177.109 176.519 0.230 0.000 1.087 361 W CA -2.153 55.290 57.345 0.163 0.000 1.205 361 W CB 0.719 30.249 29.460 0.118 0.000 1.288 361 W HN 0.331 nan 8.180 nan 0.000 0.504 362 E N 2.623 123.082 120.200 0.432 0.000 2.316 362 E HA 0.078 4.428 4.350 -0.000 0.000 0.275 362 E C -0.858 176.059 176.600 0.528 0.000 1.029 362 E CA -0.567 56.076 56.400 0.404 0.000 0.871 362 E CB 0.547 30.420 29.700 0.289 0.000 1.022 362 E HN 0.260 nan 8.360 nan 0.000 0.418 363 F N 5.912 126.114 119.950 0.421 0.000 2.533 363 F HA 0.171 4.697 4.527 -0.000 0.000 0.378 363 F C -0.852 175.237 175.800 0.482 0.000 1.070 363 F CA 0.196 58.480 58.000 0.473 0.000 1.172 363 F CB 0.108 39.323 39.000 0.358 0.000 1.085 363 F HN 0.459 nan 8.300 nan 0.000 0.552 364 F N 9.754 129.741 119.950 0.061 0.000 2.824 364 F HA 0.358 4.885 4.527 -0.000 0.000 0.368 364 F C -2.133 173.672 175.800 0.008 0.000 1.398 364 F CA -1.877 56.188 58.000 0.109 0.000 1.142 364 F CB 0.390 39.514 39.000 0.207 0.000 1.997 364 F HN 0.217 nan 8.300 nan 0.000 0.598 365 P HA -0.197 nan 4.420 nan 0.000 0.220 365 P C 1.223 178.199 177.300 -0.539 0.000 1.148 365 P CA 1.413 64.006 63.100 -0.846 0.000 0.803 365 P CB 0.145 31.235 31.700 -1.016 0.000 0.782 366 E N 0.029 119.834 120.200 -0.659 0.000 2.268 366 E HA -0.089 4.261 4.350 -0.000 0.000 0.195 366 E C 2.204 178.634 176.600 -0.284 0.000 0.995 366 E CA 1.343 57.456 56.400 -0.479 0.000 0.836 366 E CB -1.720 27.671 29.700 -0.514 0.000 0.763 366 E HN 0.252 nan 8.360 nan 0.000 0.491 367 G N 1.787 110.456 108.800 -0.219 0.000 2.450 367 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.220 367 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.220 367 G C 1.534 176.174 174.900 -0.433 0.000 1.130 367 G CA 0.876 46.032 45.100 0.094 0.000 0.760 367 G HN 0.265 nan 8.290 nan 0.000 0.557 368 L N -0.304 120.440 121.223 -0.798 0.000 2.017 368 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 368 L C 2.480 179.217 176.870 -0.223 0.000 1.073 368 L CA 1.778 56.197 54.840 -0.702 0.000 0.745 368 L CB -1.023 40.817 42.059 -0.364 0.000 0.894 368 L HN 0.374 nan 8.230 nan 0.000 0.432 369 Y N 0.451 120.614 120.300 -0.228 0.000 2.128 369 Y HA -0.324 4.226 4.550 -0.000 0.000 0.284 369 Y C 2.441 178.294 175.900 -0.078 0.000 1.154 369 Y CA 2.237 60.254 58.100 -0.139 0.000 1.149 369 Y CB -0.510 37.855 38.460 -0.157 0.000 0.976 369 Y HN 0.509 nan 8.280 nan 0.000 0.505 370 D N -0.509 119.912 120.400 0.035 0.000 2.116 370 D HA -0.201 4.439 4.640 -0.000 0.000 0.193 370 D C 2.032 178.300 176.300 -0.053 0.000 0.998 370 D CA 2.084 56.092 54.000 0.013 0.000 0.836 370 D CB -0.350 40.520 40.800 0.117 0.000 0.951 370 D HN 0.267 nan 8.370 nan 0.000 0.449 371 V N 0.194 120.079 119.914 -0.048 0.000 2.323 371 V HA -0.152 3.968 4.120 -0.000 0.000 0.244 371 V C 2.655 178.817 176.094 0.114 0.000 1.041 371 V CA 1.202 63.518 62.300 0.027 0.000 1.025 371 V CB -0.494 31.381 31.823 0.087 0.000 0.656 371 V HN 0.303 nan 8.190 nan 0.000 0.451 372 L N 0.612 121.859 121.223 0.040 0.000 2.046 372 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 372 L C 2.786 179.684 176.870 0.047 0.000 1.077 372 L CA 2.215 57.100 54.840 0.076 0.000 0.747 372 L CB -1.010 41.042 42.059 -0.012 0.000 0.896 372 L HN 0.596 nan 8.230 nan 0.000 0.432 373 T N -3.515 110.950 114.554 -0.148 0.000 2.942 373 T HA -0.135 4.215 4.350 -0.000 0.000 0.265 373 T C 1.880 176.578 174.700 -0.004 0.000 1.062 373 T CA 0.731 62.748 62.100 -0.138 0.000 1.139 373 T CB -0.067 68.546 68.868 -0.425 0.000 0.883 373 T HN 0.077 nan 8.240 nan 0.000 0.468 374 K N 0.035 120.438 120.400 0.004 0.000 2.057 374 K HA 0.022 4.342 4.320 -0.000 0.000 0.207 374 K C 1.994 178.642 176.600 0.080 0.000 1.049 374 K CA 1.312 57.633 56.287 0.058 0.000 0.931 374 K CB -0.462 32.113 32.500 0.124 0.000 0.714 374 K HN 0.362 nan 8.250 nan 0.000 0.440 375 Y N -0.396 120.004 120.300 0.166 0.000 2.181 375 Y HA -0.269 4.281 4.550 -0.000 0.000 0.288 375 Y C 2.151 178.033 175.900 -0.030 0.000 1.146 375 Y CA 1.434 59.610 58.100 0.127 0.000 1.164 375 Y CB -0.421 38.116 38.460 0.128 0.000 0.982 375 Y HN 0.294 nan 8.280 nan 0.000 0.515 376 W N 1.212 122.502 121.300 -0.018 0.000 2.333 376 W HA -0.281 4.379 4.660 -0.000 0.000 0.316 376 W C 1.379 177.586 176.519 -0.520 0.000 1.215 376 W CA 1.920 59.146 57.345 -0.197 0.000 1.278 376 W CB -0.395 28.971 29.460 -0.157 0.000 1.154 376 W HN 0.122 nan 8.180 nan 0.000 0.486 377 N N 0.383 118.829 118.700 -0.423 0.000 2.381 377 N HA -0.149 4.591 4.740 -0.000 0.000 0.182 377 N C 1.812 176.963 175.510 -0.598 0.000 1.025 377 N CA 1.251 53.969 53.050 -0.554 0.000 0.888 377 N CB -0.634 37.720 38.487 -0.222 0.000 0.965 377 N HN 0.320 nan 8.380 nan 0.000 0.438 378 R N -0.929 119.163 120.500 -0.680 0.000 2.090 378 R HA 0.020 4.360 4.340 -0.000 0.000 0.219 378 R C 0.774 176.645 176.300 -0.715 0.000 1.100 378 R CA 1.014 56.579 56.100 -0.892 0.000 0.991 378 R CB 0.180 29.532 30.300 -1.579 0.000 0.893 378 R HN 0.177 nan 8.270 nan 0.000 0.443 379 Y N -1.988 118.127 120.300 -0.308 0.000 2.452 379 Y HA 0.225 4.775 4.550 -0.000 0.000 0.262 379 Y C -0.185 175.614 175.900 -0.168 0.000 1.089 379 Y CA -0.355 57.644 58.100 -0.168 0.000 1.262 379 Y CB 0.172 38.578 38.460 -0.090 0.000 1.236 379 Y HN 0.116 nan 8.280 nan 0.000 0.512 380 H N -0.434 118.406 119.070 -0.384 0.000 2.741 380 H HA -0.158 4.398 4.556 -0.000 0.000 0.305 380 H C -0.745 174.442 175.328 -0.235 0.000 1.169 380 H CA 0.490 56.057 56.048 -0.801 0.000 1.144 380 H CB -2.132 27.175 29.762 -0.758 0.000 1.397 380 H HN 0.175 nan 8.280 nan 0.000 0.409 381 L N 0.902 122.202 121.223 0.129 0.000 2.322 381 L HA 0.319 4.659 4.340 -0.000 0.000 0.279 381 L C 0.940 178.084 176.870 0.456 0.000 1.036 381 L CA -1.391 53.606 54.840 0.263 0.000 0.807 381 L CB 0.597 42.726 42.059 0.116 0.000 1.226 381 L HN 0.237 nan 8.230 nan 0.000 0.433 382 Y N 1.903 122.442 120.300 0.398 0.000 2.550 382 Y HA 0.442 4.992 4.550 -0.000 0.000 0.343 382 Y C -0.046 175.980 175.900 0.209 0.000 1.245 382 Y CA -1.018 57.243 58.100 0.269 0.000 1.462 382 Y CB 0.369 38.895 38.460 0.110 0.000 1.340 382 Y HN 0.512 nan 8.280 nan 0.000 0.604 383 M N 1.880 121.587 119.600 0.178 0.000 2.667 383 M HA 0.602 5.082 4.480 -0.000 0.000 0.286 383 M C -2.224 174.051 176.300 -0.042 0.000 1.270 383 M CA -1.059 54.311 55.300 0.117 0.000 0.826 383 M CB 2.379 35.040 32.600 0.101 0.000 1.743 383 M HN 0.714 nan 8.290 nan 0.000 0.460 384 Y N -0.328 120.057 120.300 0.141 0.000 2.499 384 Y HA 0.568 5.118 4.550 -0.000 0.000 0.347 384 Y C -0.428 175.527 175.900 0.091 0.000 0.987 384 Y CA -0.870 57.250 58.100 0.033 0.000 1.044 384 Y CB 2.421 40.833 38.460 -0.081 0.000 1.245 384 Y HN 0.464 nan 8.280 nan 0.000 0.461 385 V N 2.817 122.880 119.914 0.248 0.000 2.356 385 V HA 0.069 4.189 4.120 -0.000 0.000 0.258 385 V C 0.586 176.739 176.094 0.098 0.000 1.065 385 V CA 0.308 62.721 62.300 0.188 0.000 0.935 385 V CB 0.204 32.183 31.823 0.260 0.000 1.061 385 V HN 1.056 nan 8.190 nan 0.000 0.484 386 T N 0.817 115.442 114.554 0.119 0.000 3.057 386 T HA 0.188 4.538 4.350 -0.000 0.000 0.254 386 T C 0.463 175.202 174.700 0.064 0.000 1.094 386 T CA 0.093 62.251 62.100 0.096 0.000 1.088 386 T CB 0.513 69.482 68.868 0.168 0.000 0.934 386 T HN 0.593 nan 8.240 nan 0.000 0.497 387 E N 0.887 121.088 120.200 0.001 0.000 2.307 387 E HA 0.343 4.693 4.350 -0.000 0.000 0.280 387 E C -1.880 174.610 176.600 -0.185 0.000 0.900 387 E CA -0.588 55.795 56.400 -0.028 0.000 0.790 387 E CB 1.292 30.938 29.700 -0.090 0.000 1.261 387 E HN 0.250 nan 8.360 nan 0.000 0.405 388 N N 3.145 121.772 118.700 -0.121 0.000 2.452 388 N HA 0.546 5.286 4.740 -0.000 0.000 0.277 388 N C -1.188 174.382 175.510 0.100 0.000 1.078 388 N CA -0.005 53.009 53.050 -0.061 0.000 0.947 388 N CB 2.028 40.611 38.487 0.160 0.000 1.655 388 N HN 0.680 nan 8.380 nan 0.000 0.490 389 G N 1.734 110.752 108.800 0.363 0.000 2.321 389 G HA2 0.386 4.346 3.960 -0.000 0.000 0.296 389 G HA3 0.386 4.346 3.960 -0.000 0.000 0.296 389 G C -2.072 172.954 174.900 0.209 0.000 1.287 389 G CA -0.610 44.631 45.100 0.235 0.000 0.846 389 G HN 0.573 nan 8.290 nan 0.000 0.508 390 I N -0.364 120.254 120.570 0.081 0.000 2.752 390 I HA 0.693 4.863 4.170 -0.000 0.000 0.295 390 I C -0.191 175.556 176.117 -0.617 0.000 1.219 390 I CA -1.209 59.922 61.300 -0.280 0.000 1.030 390 I CB 2.042 39.725 38.000 -0.527 0.000 1.259 390 I HN 1.065 nan 8.210 nan 0.000 0.423 391 A N 4.449 126.650 122.820 -1.031 0.000 2.350 391 A HA 0.505 4.825 4.320 -0.000 0.000 0.293 391 A C -0.744 176.545 177.584 -0.491 0.000 1.231 391 A CA 0.150 51.507 52.037 -1.132 0.000 0.883 391 A CB -0.113 18.217 19.000 -1.118 0.000 1.133 391 A HN 0.610 nan 8.150 nan 0.000 0.533 392 D N 2.192 122.386 120.400 -0.343 0.000 2.474 392 D HA 0.091 4.731 4.640 -0.000 0.000 0.234 392 D C 0.105 176.305 176.300 -0.167 0.000 1.323 392 D CA -0.321 53.569 54.000 -0.185 0.000 0.915 392 D CB 0.791 41.541 40.800 -0.084 0.000 1.487 392 D HN 0.397 nan 8.370 nan 0.000 0.524 393 D N 1.968 122.261 120.400 -0.179 0.000 2.144 393 D HA -0.032 4.608 4.640 -0.000 0.000 0.200 393 D C 1.748 177.924 176.300 -0.206 0.000 0.978 393 D CA 1.371 55.277 54.000 -0.156 0.000 0.833 393 D CB 0.318 41.038 40.800 -0.133 0.000 0.961 393 D HN 0.385 nan 8.370 nan 0.000 0.470 394 A N -0.209 122.413 122.820 -0.330 0.000 2.168 394 A HA 0.004 4.324 4.320 -0.000 0.000 0.215 394 A C 1.003 178.293 177.584 -0.490 0.000 1.152 394 A CA 1.274 52.969 52.037 -0.569 0.000 0.716 394 A CB -0.208 18.056 19.000 -1.227 0.000 0.794 394 A HN 0.272 nan 8.150 nan 0.000 0.465 395 D N -4.279 115.963 120.400 -0.264 0.000 3.041 395 D HA -0.212 4.428 4.640 -0.000 0.000 0.220 395 D C 0.311 176.657 176.300 0.077 0.000 1.157 395 D CA 1.132 55.092 54.000 -0.068 0.000 0.876 395 D CB -1.621 39.168 40.800 -0.018 0.000 1.107 395 D HN 0.496 nan 8.370 nan 0.000 0.422 396 Y N 0.073 120.434 120.300 0.101 0.000 2.133 396 Y HA -0.055 4.495 4.550 -0.000 0.000 0.287 396 Y C 2.614 178.654 175.900 0.235 0.000 1.134 396 Y CA 1.717 59.900 58.100 0.139 0.000 1.133 396 Y CB -0.585 37.931 38.460 0.094 0.000 0.987 396 Y HN 0.309 nan 8.280 nan 0.000 0.502 397 Q N -0.885 119.150 119.800 0.392 0.000 2.339 397 Q HA 0.003 4.343 4.340 -0.000 0.000 0.205 397 Q C 2.293 178.610 176.000 0.527 0.000 0.925 397 Q CA 0.076 56.141 55.803 0.437 0.000 0.898 397 Q CB 0.047 29.002 28.738 0.363 0.000 1.013 397 Q HN 0.347 nan 8.270 nan 0.000 0.504 398 R N 1.177 121.898 120.500 0.369 0.000 2.103 398 R HA -0.148 4.192 4.340 -0.000 0.000 0.242 398 R C -0.868 175.637 176.300 0.342 0.000 1.142 398 R CA 1.594 57.906 56.100 0.353 0.000 0.960 398 R CB -0.775 29.647 30.300 0.204 0.000 0.858 398 R HN 0.129 nan 8.270 nan 0.000 0.439 399 P HA -0.163 nan 4.420 nan 0.000 0.216 399 P C 0.471 177.804 177.300 0.055 0.000 1.153 399 P CA 1.488 64.619 63.100 0.052 0.000 0.858 399 P CB -0.124 31.521 31.700 -0.092 0.000 0.789 400 Y N -3.089 117.352 120.300 0.235 0.000 2.263 400 Y HA -0.161 4.389 4.550 -0.000 0.000 0.292 400 Y C 2.567 178.777 175.900 0.517 0.000 1.130 400 Y CA 1.083 59.350 58.100 0.279 0.000 1.179 400 Y CB -1.278 37.296 38.460 0.190 0.000 0.998 400 Y HN -0.066 nan 8.280 nan 0.000 0.532 401 Y N 0.170 120.900 120.300 0.718 0.000 2.145 401 Y HA -0.262 4.288 4.550 -0.000 0.000 0.286 401 Y C 2.369 178.593 175.900 0.540 0.000 1.145 401 Y CA 1.336 59.856 58.100 0.700 0.000 1.148 401 Y CB -0.612 38.206 38.460 0.595 0.000 0.981 401 Y HN 0.140 nan 8.280 nan 0.000 0.507 402 L N -0.596 120.970 121.223 0.572 0.000 1.976 402 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 402 L C 2.270 179.257 176.870 0.195 0.000 1.071 402 L CA 1.972 57.011 54.840 0.331 0.000 0.746 402 L CB -1.132 40.971 42.059 0.073 0.000 0.890 402 L HN 0.118 nan 8.230 nan 0.000 0.432 403 V N -0.549 119.454 119.914 0.147 0.000 2.332 403 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 403 V C 2.561 178.724 176.094 0.115 0.000 1.055 403 V CA 1.919 64.272 62.300 0.090 0.000 1.038 403 V CB -0.914 30.921 31.823 0.021 0.000 0.651 403 V HN 0.549 nan 8.190 nan 0.000 0.450 404 S N -0.897 114.892 115.700 0.149 0.000 2.368 404 S HA -0.220 4.250 4.470 -0.000 0.000 0.225 404 S C 1.870 176.458 174.600 -0.021 0.000 1.030 404 S CA 1.725 59.967 58.200 0.069 0.000 0.999 404 S CB -0.405 62.845 63.200 0.083 0.000 0.844 404 S HN 0.726 nan 8.310 nan 0.000 0.459 405 H N 0.255 119.319 119.070 -0.011 0.000 2.428 405 H HA 0.129 4.685 4.556 -0.000 0.000 0.296 405 H C 2.043 177.387 175.328 0.027 0.000 1.062 405 H CA 0.998 57.050 56.048 0.006 0.000 1.350 405 H CB -0.235 29.579 29.762 0.087 0.000 1.403 405 H HN 0.124 nan 8.280 nan 0.000 0.533 406 V N 0.391 120.339 119.914 0.057 0.000 2.427 406 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 406 V C 2.000 178.226 176.094 0.219 0.000 1.051 406 V CA 1.811 64.111 62.300 -0.000 0.000 1.048 406 V CB -0.608 31.183 31.823 -0.054 0.000 0.666 406 V HN 0.495 nan 8.190 nan 0.000 0.456 407 Y N 1.163 121.465 120.300 0.003 0.000 2.207 407 Y HA -0.252 4.298 4.550 -0.000 0.000 0.287 407 Y C 2.580 178.419 175.900 -0.102 0.000 1.156 407 Y CA 1.777 59.776 58.100 -0.168 0.000 1.182 407 Y CB -0.167 38.083 38.460 -0.351 0.000 0.979 407 Y HN 0.240 nan 8.280 nan 0.000 0.521 408 Q N -0.358 119.337 119.800 -0.174 0.000 2.224 408 Q HA -0.097 4.243 4.340 -0.000 0.000 0.203 408 Q C 2.458 178.414 176.000 -0.074 0.000 0.970 408 Q CA 1.433 57.104 55.803 -0.221 0.000 0.865 408 Q CB -0.455 28.219 28.738 -0.107 0.000 0.922 408 Q HN 0.509 nan 8.270 nan 0.000 0.445 409 V N 0.032 119.981 119.914 0.059 0.000 2.379 409 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 409 V C 2.219 178.339 176.094 0.044 0.000 1.044 409 V CA 1.998 64.389 62.300 0.153 0.000 1.036 409 V CB -0.718 31.316 31.823 0.352 0.000 0.664 409 V HN 0.399 nan 8.190 nan 0.000 0.453 410 H N 0.768 119.748 119.070 -0.150 0.000 2.353 410 H HA -0.205 4.351 4.556 -0.000 0.000 0.300 410 H C 2.464 177.535 175.328 -0.429 0.000 1.090 410 H CA 2.262 57.983 56.048 -0.545 0.000 1.327 410 H CB -0.014 29.283 29.762 -0.776 0.000 1.383 410 H HN 0.290 nan 8.280 nan 0.000 0.508 411 R N 0.125 120.406 120.500 -0.365 0.000 2.081 411 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 411 R C 2.414 178.695 176.300 -0.031 0.000 1.131 411 R CA 1.293 57.218 56.100 -0.291 0.000 0.960 411 R CB -0.471 29.520 30.300 -0.515 0.000 0.856 411 R HN 0.406 nan 8.270 nan 0.000 0.436 412 A N 0.962 123.797 122.820 0.025 0.000 1.908 412 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 412 A C 2.169 179.638 177.584 -0.191 0.000 1.181 412 A CA 1.629 53.621 52.037 -0.075 0.000 0.627 412 A CB -0.552 18.380 19.000 -0.114 0.000 0.818 412 A HN 0.392 nan 8.150 nan 0.000 0.445 413 I N -0.375 120.049 120.570 -0.242 0.000 2.142 413 I HA -0.279 3.891 4.170 -0.000 0.000 0.240 413 I C 2.449 178.388 176.117 -0.298 0.000 1.078 413 I CA 1.375 62.494 61.300 -0.302 0.000 1.343 413 I CB -0.539 37.262 38.000 -0.333 0.000 1.046 413 I HN 0.420 nan 8.210 nan 0.000 0.405 414 N N 0.651 119.143 118.700 -0.346 0.000 2.133 414 N HA -0.197 4.543 4.740 -0.000 0.000 0.193 414 N C 1.673 177.106 175.510 -0.129 0.000 1.012 414 N CA 1.816 54.714 53.050 -0.252 0.000 0.871 414 N CB -0.004 38.327 38.487 -0.260 0.000 1.011 414 N HN 0.255 nan 8.380 nan 0.000 0.435 415 S N -0.897 114.752 115.700 -0.085 0.000 2.607 415 S HA 0.162 4.632 4.470 -0.000 0.000 0.224 415 S C 1.331 175.892 174.600 -0.065 0.000 0.969 415 S CA 0.639 58.826 58.200 -0.021 0.000 0.927 415 S CB 0.409 63.649 63.200 0.066 0.000 0.772 415 S HN 0.671 nan 8.310 nan 0.000 0.533 416 G N 0.845 109.548 108.800 -0.161 0.000 2.218 416 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.216 416 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.216 416 G C 0.203 174.734 174.900 -0.615 0.000 0.994 416 G CA -0.296 44.687 45.100 -0.196 0.000 0.637 416 G HN 0.805 nan 8.290 nan 0.000 0.505 417 A N 0.592 122.923 122.820 -0.814 0.000 2.520 417 A HA 0.464 4.784 4.320 -0.000 0.000 0.245 417 A C 0.229 177.166 177.584 -1.079 0.000 1.072 417 A CA 0.663 51.872 52.037 -1.380 0.000 0.761 417 A CB 0.286 18.902 19.000 -0.640 0.000 1.004 417 A HN 0.293 nan 8.150 nan 0.000 0.499 418 D N 2.514 122.034 120.400 -1.466 0.000 2.402 418 D HA 0.374 5.014 4.640 -0.000 0.000 0.235 418 D C -0.824 175.326 176.300 -0.249 0.000 1.226 418 D CA 0.347 53.976 54.000 -0.619 0.000 0.918 418 D CB 0.267 40.850 40.800 -0.360 0.000 1.043 418 D HN 0.128 nan 8.370 nan 0.000 0.506 419 V N 5.626 125.445 119.914 -0.158 0.000 2.531 419 V HA 0.394 4.514 4.120 -0.000 0.000 0.301 419 V C 1.095 177.177 176.094 -0.019 0.000 1.034 419 V CA -0.736 61.540 62.300 -0.040 0.000 0.865 419 V CB 1.955 33.833 31.823 0.090 0.000 0.995 419 V HN 0.410 nan 8.190 nan 0.000 0.424 420 R N 2.599 122.850 120.500 -0.415 0.000 2.437 420 R HA 0.507 4.847 4.340 -0.000 0.000 0.257 420 R C 0.619 176.296 176.300 -1.038 0.000 0.927 420 R CA 0.354 56.063 56.100 -0.652 0.000 1.078 420 R CB 1.542 31.331 30.300 -0.851 0.000 1.161 420 R HN 0.812 nan 8.270 nan 0.000 0.529 421 G N 0.267 108.416 108.800 -1.086 0.000 2.523 421 G HA2 0.304 4.264 3.960 -0.000 0.000 0.291 421 G HA3 0.304 4.264 3.960 -0.000 0.000 0.291 421 G C -2.389 172.224 174.900 -0.480 0.000 1.450 421 G CA -0.587 43.784 45.100 -1.216 0.000 0.790 421 G HN 0.067 nan 8.290 nan 0.000 0.496 422 Y N 0.078 120.124 120.300 -0.422 0.000 2.373 422 Y HA 0.748 5.298 4.550 0.000 0.000 0.336 422 Y C -1.596 174.455 175.900 0.252 0.000 0.979 422 Y CA -1.105 57.057 58.100 0.104 0.000 1.080 422 Y CB 1.857 40.517 38.460 0.334 0.000 1.190 422 Y HN 0.433 nan 8.280 nan 0.000 0.446 423 L N 6.667 127.746 121.223 -0.240 0.000 2.372 423 L HA 0.317 4.657 4.340 -0.000 0.000 0.273 423 L C -0.751 176.057 176.870 -0.104 0.000 0.989 423 L CA -0.637 54.200 54.840 -0.005 0.000 0.841 423 L CB 1.117 43.185 42.059 0.015 0.000 1.225 423 L HN 0.704 nan 8.230 nan 0.000 0.414 424 H N 2.877 121.966 119.070 0.032 0.000 2.764 424 H HA 0.092 4.648 4.556 -0.000 0.000 0.341 424 H C -1.023 174.451 175.328 0.243 0.000 1.072 424 H CA 0.208 56.295 56.048 0.066 0.000 1.444 424 H CB 0.764 30.555 29.762 0.048 0.000 1.458 424 H HN 0.588 nan 8.280 nan 0.000 0.572 425 W N 6.694 127.826 121.300 -0.280 0.000 2.311 425 W HA 0.402 5.062 4.660 -0.000 0.000 0.317 425 W C -0.949 175.525 176.519 -0.074 0.000 1.065 425 W CA -0.203 57.096 57.345 -0.078 0.000 1.364 425 W CB 0.834 30.293 29.460 -0.001 0.000 1.233 425 W HN 0.538 nan 8.180 nan 0.000 0.409 426 S N 3.742 119.299 115.700 -0.238 0.000 2.794 426 S HA 0.294 4.764 4.470 -0.000 0.000 0.299 426 S C 0.282 174.820 174.600 -0.103 0.000 1.179 426 S CA -0.656 57.310 58.200 -0.390 0.000 0.838 426 S CB 1.124 63.621 63.200 -1.172 0.000 1.206 426 S HN 0.432 nan 8.310 nan 0.000 0.523 427 L N 2.086 123.201 121.223 -0.180 0.000 2.012 427 L HA 0.391 4.731 4.340 -0.000 0.000 0.210 427 L C 0.668 177.333 176.870 -0.342 0.000 1.073 427 L CA 2.473 57.061 54.840 -0.420 0.000 0.748 427 L CB -0.818 40.603 42.059 -1.063 0.000 0.891 427 L HN 0.760 nan 8.230 nan 0.000 0.431 428 A N -1.891 120.767 122.820 -0.270 0.000 2.527 428 A HA 0.529 4.849 4.320 -0.000 0.000 0.293 428 A C -1.044 176.485 177.584 -0.091 0.000 1.117 428 A CA -0.845 51.049 52.037 -0.237 0.000 0.723 428 A CB 0.494 19.264 19.000 -0.384 0.000 1.313 428 A HN 0.120 nan 8.150 nan 0.000 0.411 429 D N 0.751 121.130 120.400 -0.035 0.000 2.419 429 D HA 0.347 4.987 4.640 -0.000 0.000 0.236 429 D C 0.142 176.574 176.300 0.221 0.000 1.165 429 D CA 1.062 55.127 54.000 0.109 0.000 0.882 429 D CB 0.458 41.316 40.800 0.098 0.000 1.201 429 D HN 0.706 nan 8.370 nan 0.000 0.443 430 N N -1.070 117.828 118.700 0.329 0.000 3.344 430 N HA 0.193 4.933 4.740 -0.000 0.000 0.296 430 N C -1.566 174.165 175.510 0.369 0.000 1.571 430 N CA -0.928 52.348 53.050 0.378 0.000 0.844 430 N CB 0.432 39.020 38.487 0.169 0.000 1.718 430 N HN 0.302 nan 8.380 nan 0.000 0.589 431 Y N 0.443 120.739 120.300 -0.006 0.000 2.539 431 Y HA 0.261 4.811 4.550 -0.000 0.000 0.352 431 Y C 0.085 175.708 175.900 -0.462 0.000 1.004 431 Y CA -0.293 57.537 58.100 -0.449 0.000 1.278 431 Y CB 0.609 38.649 38.460 -0.700 0.000 1.136 431 Y HN 0.684 nan 8.280 nan 0.000 0.528 432 E N 6.789 126.650 120.200 -0.565 0.000 2.261 432 E HA 0.170 4.520 4.350 -0.000 0.000 0.308 432 E C -0.602 175.852 176.600 -0.242 0.000 1.400 432 E CA 0.030 56.261 56.400 -0.282 0.000 1.542 432 E CB -0.555 29.200 29.700 0.093 0.000 1.369 432 E HN 0.760 nan 8.360 nan 0.000 0.493 433 W N 0.715 121.799 121.300 -0.360 0.000 2.034 433 W HA -0.466 4.194 4.660 -0.000 0.000 0.277 433 W C 1.766 178.255 176.519 -0.050 0.000 1.199 433 W CA 0.672 57.883 57.345 -0.224 0.000 1.148 433 W CB -1.667 27.734 29.460 -0.099 0.000 0.887 433 W HN 0.298 nan 8.180 nan 0.000 0.537 434 A N -0.229 122.962 122.820 0.617 0.000 2.125 434 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 434 A C 1.700 179.412 177.584 0.213 0.000 1.156 434 A CA 2.178 54.508 52.037 0.489 0.000 0.671 434 A CB -0.836 18.540 19.000 0.627 0.000 0.794 434 A HN 0.438 nan 8.150 nan 0.000 0.459 435 S N -1.272 114.509 115.700 0.134 0.000 2.501 435 S HA 0.386 4.856 4.470 -0.000 0.000 0.220 435 S C 1.354 175.829 174.600 -0.208 0.000 0.997 435 S CA 0.662 58.854 58.200 -0.014 0.000 0.919 435 S CB -0.308 62.866 63.200 -0.045 0.000 0.778 435 S HN 1.503 nan 8.310 nan 0.000 0.523 436 G N 1.499 110.015 108.800 -0.473 0.000 2.562 436 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.250 436 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.250 436 G C 0.186 174.710 174.900 -0.627 0.000 1.269 436 G CA 0.086 44.735 45.100 -0.753 0.000 0.919 436 G HN 0.299 nan 8.290 nan 0.000 0.574 437 F N 2.038 121.851 119.950 -0.228 0.000 2.710 437 F HA 0.143 4.670 4.527 -0.000 0.000 0.298 437 F C 2.922 178.672 175.800 -0.083 0.000 1.137 437 F CA 1.480 59.377 58.000 -0.173 0.000 1.444 437 F CB -0.027 38.762 39.000 -0.353 0.000 1.111 437 F HN 0.511 nan 8.300 nan 0.000 0.580 438 S N -0.790 114.917 115.700 0.013 0.000 2.474 438 S HA -0.054 4.416 4.470 -0.000 0.000 0.235 438 S C 1.010 175.541 174.600 -0.114 0.000 0.997 438 S CA 0.506 58.686 58.200 -0.033 0.000 0.949 438 S CB -0.335 62.819 63.200 -0.077 0.000 0.766 438 S HN 0.051 nan 8.310 nan 0.000 0.517 439 M N 2.789 122.292 119.600 -0.162 0.000 2.094 439 M HA 0.392 4.872 4.480 -0.000 0.000 0.348 439 M C -0.404 175.892 176.300 -0.005 0.000 1.267 439 M CA 0.281 55.431 55.300 -0.250 0.000 1.125 439 M CB 0.539 32.878 32.600 -0.435 0.000 1.527 439 M HN 0.198 nan 8.290 nan 0.000 0.447 440 R N 2.528 122.963 120.500 -0.109 0.000 2.288 440 R HA 0.370 4.710 4.340 -0.000 0.000 0.326 440 R C -0.294 175.979 176.300 -0.046 0.000 0.959 440 R CA -0.187 55.930 56.100 0.028 0.000 0.834 440 R CB 0.968 31.275 30.300 0.011 0.000 1.157 440 R HN 0.511 nan 8.270 nan 0.000 0.470 441 F N 0.320 120.315 119.950 0.074 0.000 2.678 441 F HA 0.242 4.769 4.527 -0.000 0.000 0.305 441 F C 1.584 177.408 175.800 0.041 0.000 1.090 441 F CA -0.365 57.699 58.000 0.107 0.000 1.272 441 F CB 0.927 40.103 39.000 0.293 0.000 1.060 441 F HN 0.567 nan 8.300 nan 0.000 0.576 442 G N 0.240 109.120 108.800 0.133 0.000 2.483 442 G HA2 0.297 4.257 3.960 -0.000 0.000 0.248 442 G HA3 0.297 4.257 3.960 -0.000 0.000 0.248 442 G C 0.878 175.791 174.900 0.020 0.000 1.248 442 G CA -0.410 44.705 45.100 0.025 0.000 0.838 442 G HN 0.240 nan 8.290 nan 0.000 0.566 443 L N 0.599 121.811 121.223 -0.018 0.000 2.201 443 L HA 0.102 4.442 4.340 -0.000 0.000 0.212 443 L C 0.943 177.700 176.870 -0.187 0.000 1.105 443 L CA 0.769 55.552 54.840 -0.096 0.000 0.775 443 L CB -0.368 41.600 42.059 -0.151 0.000 0.913 443 L HN 0.288 nan 8.230 nan 0.000 0.440 444 L N -0.032 121.046 121.223 -0.242 0.000 2.317 444 L HA 0.334 4.674 4.340 -0.000 0.000 0.281 444 L C 0.010 176.794 176.870 -0.143 0.000 1.024 444 L CA -0.518 54.173 54.840 -0.248 0.000 0.810 444 L CB 1.585 43.403 42.059 -0.402 0.000 1.240 444 L HN -0.073 nan 8.230 nan 0.000 0.427 445 K N 1.908 122.276 120.400 -0.053 0.000 2.205 445 K HA 0.461 4.781 4.320 -0.000 0.000 0.279 445 K C -1.061 175.505 176.600 -0.057 0.000 1.027 445 K CA -0.507 55.755 56.287 -0.041 0.000 0.932 445 K CB 1.377 33.868 32.500 -0.014 0.000 1.032 445 K HN 0.363 nan 8.250 nan 0.000 0.466 446 V N 4.039 123.837 119.914 -0.193 0.000 2.394 446 V HA 0.073 4.193 4.120 -0.000 0.000 0.282 446 V C -0.312 175.547 176.094 -0.392 0.000 1.031 446 V CA -0.779 61.303 62.300 -0.363 0.000 0.881 446 V CB 1.363 32.778 31.823 -0.680 0.000 0.982 446 V HN 0.802 nan 8.190 nan 0.000 0.451 447 D N 3.398 123.686 120.400 -0.186 0.000 2.339 447 D HA 0.165 4.805 4.640 -0.000 0.000 0.241 447 D C 0.336 176.510 176.300 -0.210 0.000 1.183 447 D CA -0.108 53.813 54.000 -0.131 0.000 0.859 447 D CB 0.932 41.769 40.800 0.062 0.000 1.067 447 D HN 0.492 nan 8.370 nan 0.000 0.484 448 Y N 2.643 122.884 120.300 -0.099 0.000 2.571 448 Y HA -0.020 4.530 4.550 -0.000 0.000 0.294 448 Y C 1.857 177.685 175.900 -0.121 0.000 1.141 448 Y CA 0.590 58.583 58.100 -0.178 0.000 1.308 448 Y CB -0.170 38.061 38.460 -0.382 0.000 1.002 448 Y HN 0.490 nan 8.280 nan 0.000 0.551 449 N N -1.053 117.670 118.700 0.039 0.000 2.173 449 N HA -0.121 4.619 4.740 -0.000 0.000 0.184 449 N C 1.757 177.278 175.510 0.018 0.000 1.025 449 N CA 1.767 54.832 53.050 0.025 0.000 0.852 449 N CB -0.127 38.370 38.487 0.018 0.000 0.998 449 N HN 0.283 nan 8.380 nan 0.000 0.427 450 T N -2.295 112.265 114.554 0.011 0.000 3.022 450 T HA 0.213 4.563 4.350 -0.000 0.000 0.250 450 T C 0.471 175.168 174.700 -0.005 0.000 1.060 450 T CA -0.079 62.026 62.100 0.007 0.000 1.013 450 T CB 0.328 69.204 68.868 0.014 0.000 0.982 450 T HN -0.078 nan 8.240 nan 0.000 0.508 451 K N 0.176 120.562 120.400 -0.022 0.000 3.407 451 K HA -0.147 4.173 4.320 -0.000 0.000 0.312 451 K C 0.069 176.628 176.600 -0.068 0.000 1.302 451 K CA 0.541 56.808 56.287 -0.034 0.000 0.931 451 K CB -2.034 30.484 32.500 0.030 0.000 1.257 451 K HN 0.560 nan 8.250 nan 0.000 0.454 452 R N 0.623 121.075 120.500 -0.080 0.000 2.537 452 R HA 0.295 4.635 4.340 -0.000 0.000 0.280 452 R C 0.555 176.710 176.300 -0.241 0.000 1.058 452 R CA -0.102 55.892 56.100 -0.177 0.000 1.057 452 R CB 0.363 30.537 30.300 -0.210 0.000 0.973 452 R HN 0.069 nan 8.270 nan 0.000 0.438 453 L N 3.848 124.867 121.223 -0.340 0.000 2.325 453 L HA 0.419 4.759 4.340 -0.000 0.000 0.279 453 L C -0.819 175.831 176.870 -0.367 0.000 1.054 453 L CA -0.654 54.004 54.840 -0.304 0.000 0.804 453 L CB 0.761 42.612 42.059 -0.346 0.000 1.200 453 L HN 0.491 nan 8.230 nan 0.000 0.436 454 Y N -0.310 119.959 120.300 -0.050 0.000 2.462 454 Y HA 0.342 4.892 4.550 -0.000 0.000 0.346 454 Y C -0.768 175.205 175.900 0.122 0.000 0.976 454 Y CA -0.544 57.594 58.100 0.063 0.000 1.044 454 Y CB 1.774 40.236 38.460 0.003 0.000 1.230 454 Y HN 0.407 nan 8.280 nan 0.000 0.455 455 W N 4.017 125.349 121.300 0.054 0.000 2.358 455 W HA 0.486 5.146 4.660 -0.000 0.000 0.307 455 W C 0.201 176.737 176.519 0.029 0.000 1.203 455 W CA -0.959 56.392 57.345 0.011 0.000 1.279 455 W CB 0.361 29.817 29.460 -0.006 0.000 1.264 455 W HN 0.292 nan 8.180 nan 0.000 0.474 456 R N 4.402 124.985 120.500 0.139 0.000 2.582 456 R HA 0.079 4.419 4.340 -0.000 0.000 0.271 456 R C -1.277 175.101 176.300 0.130 0.000 1.078 456 R CA -1.219 54.938 56.100 0.095 0.000 1.127 456 R CB 0.150 30.465 30.300 0.025 0.000 1.038 456 R HN 0.178 nan 8.270 nan 0.000 0.500 457 P HA -0.188 nan 4.420 nan 0.000 0.216 457 P C 1.016 178.378 177.300 0.105 0.000 1.150 457 P CA 1.360 64.530 63.100 0.117 0.000 0.843 457 P CB 0.210 31.966 31.700 0.093 0.000 0.787 458 S N -1.158 114.586 115.700 0.074 0.000 2.402 458 S HA -0.218 4.252 4.470 -0.000 0.000 0.233 458 S C 1.911 176.536 174.600 0.042 0.000 1.030 458 S CA 1.358 59.586 58.200 0.046 0.000 1.003 458 S CB -0.868 62.348 63.200 0.026 0.000 0.813 458 S HN 0.152 nan 8.310 nan 0.000 0.477 459 A N 0.876 123.718 122.820 0.038 0.000 1.930 459 A HA 0.049 4.369 4.320 -0.000 0.000 0.217 459 A C 2.038 179.721 177.584 0.165 0.000 1.175 459 A CA 0.985 53.003 52.037 -0.032 0.000 0.627 459 A CB -0.538 18.269 19.000 -0.321 0.000 0.815 459 A HN 0.500 nan 8.150 nan 0.000 0.443 460 L N -0.590 120.816 121.223 0.305 0.000 2.083 460 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 460 L C 2.478 179.454 176.870 0.176 0.000 1.083 460 L CA 0.918 55.939 54.840 0.302 0.000 0.752 460 L CB -0.598 41.597 42.059 0.226 0.000 0.899 460 L HN 0.225 nan 8.230 nan 0.000 0.433 461 V N -1.119 118.873 119.914 0.130 0.000 2.343 461 V HA -0.319 3.801 4.120 -0.000 0.000 0.247 461 V C 2.281 178.446 176.094 0.119 0.000 1.051 461 V CA 1.714 64.068 62.300 0.091 0.000 1.036 461 V CB -0.642 31.211 31.823 0.050 0.000 0.654 461 V HN 0.360 nan 8.190 nan 0.000 0.451 462 Y N 1.011 121.287 120.300 -0.041 0.000 2.224 462 Y HA -0.164 4.386 4.550 -0.000 0.000 0.289 462 Y C 2.748 178.613 175.900 -0.058 0.000 1.146 462 Y CA 1.697 59.746 58.100 -0.084 0.000 1.182 462 Y CB -0.458 37.940 38.460 -0.102 0.000 0.983 462 Y HN 0.107 nan 8.280 nan 0.000 0.524 463 R N 0.327 120.860 120.500 0.055 0.000 2.081 463 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 463 R C 1.910 178.199 176.300 -0.018 0.000 1.131 463 R CA 1.701 57.816 56.100 0.025 0.000 0.960 463 R CB -0.084 30.341 30.300 0.209 0.000 0.856 463 R HN 0.274 nan 8.270 nan 0.000 0.436 464 E N 0.896 121.105 120.200 0.015 0.000 2.070 464 E HA -0.215 4.135 4.350 -0.000 0.000 0.197 464 E C 2.109 178.671 176.600 -0.063 0.000 1.004 464 E CA 1.438 57.835 56.400 -0.005 0.000 0.805 464 E CB -0.355 29.357 29.700 0.020 0.000 0.744 464 E HN 0.475 nan 8.360 nan 0.000 0.451 465 I N 0.808 121.305 120.570 -0.123 0.000 2.127 465 I HA -0.275 3.895 4.170 -0.000 0.000 0.241 465 I C 2.495 178.358 176.117 -0.422 0.000 1.075 465 I CA 1.319 62.448 61.300 -0.285 0.000 1.334 465 I CB -0.518 37.257 38.000 -0.376 0.000 1.040 465 I HN 0.015 nan 8.210 nan 0.000 0.405 466 A N 1.119 123.672 122.820 -0.445 0.000 1.872 466 A HA -0.176 4.144 4.320 -0.000 0.000 0.214 466 A C 2.434 179.974 177.584 -0.072 0.000 1.187 466 A CA 2.183 54.026 52.037 -0.324 0.000 0.614 466 A CB -1.186 17.599 19.000 -0.359 0.000 0.826 466 A HN 0.528 nan 8.150 nan 0.000 0.442 467 T N -1.924 112.596 114.554 -0.057 0.000 2.881 467 T HA -0.107 4.243 4.350 -0.000 0.000 0.270 467 T C 1.415 176.133 174.700 0.029 0.000 1.068 467 T CA 1.481 63.585 62.100 0.007 0.000 1.131 467 T CB -0.405 68.471 68.868 0.013 0.000 0.871 467 T HN 0.443 nan 8.240 nan 0.000 0.479 468 N N 1.008 119.718 118.700 0.016 0.000 2.356 468 N HA 0.161 4.901 4.740 -0.000 0.000 0.178 468 N C 1.465 177.040 175.510 0.107 0.000 1.075 468 N CA 0.754 53.835 53.050 0.051 0.000 0.889 468 N CB 0.264 38.773 38.487 0.036 0.000 0.999 468 N HN 0.662 nan 8.380 nan 0.000 0.464 469 G N 1.040 109.920 108.800 0.133 0.000 2.249 469 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.273 469 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.273 469 G C -0.075 175.062 174.900 0.395 0.000 1.036 469 G CA 0.577 45.866 45.100 0.315 0.000 0.824 469 G HN 0.674 nan 8.290 nan 0.000 0.504 470 A N -1.146 121.819 122.820 0.240 0.000 2.599 470 A HA 0.689 5.009 4.320 -0.000 0.000 0.294 470 A C -0.324 177.365 177.584 0.175 0.000 1.055 470 A CA -0.599 51.627 52.037 0.315 0.000 0.683 470 A CB 0.819 19.938 19.000 0.198 0.000 1.278 470 A HN 0.848 nan 8.150 nan 0.000 0.412 471 I N 2.939 123.667 120.570 0.264 0.000 2.406 471 I HA 0.193 4.363 4.170 -0.000 0.000 0.293 471 I C 1.250 177.438 176.117 0.117 0.000 1.101 471 I CA 0.147 61.558 61.300 0.184 0.000 1.334 471 I CB 0.716 38.898 38.000 0.304 0.000 1.421 471 I HN 0.754 nan 8.210 nan 0.000 0.513 472 T N 0.784 115.377 114.554 0.065 0.000 2.813 472 T HA 0.078 4.428 4.350 -0.000 0.000 0.297 472 T C 0.978 175.690 174.700 0.021 0.000 1.036 472 T CA -0.769 61.351 62.100 0.032 0.000 1.044 472 T CB 1.105 69.990 68.868 0.028 0.000 0.993 472 T HN 0.463 nan 8.240 nan 0.000 0.535 473 D N 0.862 121.257 120.400 -0.010 0.000 2.190 473 D HA -0.137 4.503 4.640 -0.000 0.000 0.200 473 D C 2.073 178.389 176.300 0.027 0.000 0.992 473 D CA 1.274 55.265 54.000 -0.016 0.000 0.854 473 D CB -0.009 40.771 40.800 -0.033 0.000 0.936 473 D HN 0.794 nan 8.370 nan 0.000 0.462 474 E N 0.792 121.014 120.200 0.036 0.000 2.268 474 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 474 E C 2.160 178.841 176.600 0.135 0.000 0.995 474 E CA 0.506 56.938 56.400 0.053 0.000 0.836 474 E CB -0.340 29.381 29.700 0.034 0.000 0.763 474 E HN 0.537 nan 8.360 nan 0.000 0.491 475 I N -2.461 118.192 120.570 0.138 0.000 4.081 475 I HA 0.282 4.452 4.170 -0.000 0.000 0.333 475 I C 1.805 177.966 176.117 0.073 0.000 1.413 475 I CA -0.282 61.105 61.300 0.145 0.000 1.110 475 I CB 0.333 38.363 38.000 0.050 0.000 1.082 475 I HN -0.212 nan 8.210 nan 0.000 0.402 476 E N 2.206 122.488 120.200 0.137 0.000 2.333 476 E HA -0.259 4.091 4.350 -0.000 0.000 0.198 476 E C 1.834 178.481 176.600 0.077 0.000 1.007 476 E CA 1.575 58.037 56.400 0.104 0.000 0.845 476 E CB -0.209 29.545 29.700 0.090 0.000 0.766 476 E HN 0.899 nan 8.360 nan 0.000 0.507 477 H N -1.286 117.790 119.070 0.011 0.000 2.521 477 H HA -0.010 4.546 4.556 -0.000 0.000 0.286 477 H C 1.804 177.154 175.328 0.037 0.000 1.034 477 H CA 0.587 56.647 56.048 0.020 0.000 1.278 477 H CB -0.201 29.572 29.762 0.018 0.000 1.386 477 H HN 0.150 nan 8.280 nan 0.000 0.567 478 L N 0.777 121.638 121.223 -0.603 0.000 2.551 478 L HA -0.086 4.254 4.340 -0.000 0.000 0.228 478 L C 1.275 178.111 176.870 -0.056 0.000 1.153 478 L CA 0.354 54.921 54.840 -0.455 0.000 0.851 478 L CB -0.315 41.421 42.059 -0.538 0.000 0.959 478 L HN 0.509 nan 8.230 nan 0.000 0.451 479 N N 0.964 119.637 118.700 -0.045 0.000 3.193 479 N HA 0.004 4.744 4.740 -0.000 0.000 0.312 479 N C -0.539 174.973 175.510 0.004 0.000 1.261 479 N CA -0.016 53.010 53.050 -0.040 0.000 1.208 479 N CB 0.138 38.500 38.487 -0.209 0.000 1.471 479 N HN 0.257 nan 8.380 nan 0.000 0.548 480 S N -1.222 114.569 115.700 0.152 0.000 2.643 480 S HA 0.303 4.773 4.470 -0.000 0.000 0.270 480 S C -0.637 174.019 174.600 0.092 0.000 1.166 480 S CA -0.905 57.371 58.200 0.126 0.000 0.815 480 S CB 1.298 64.566 63.200 0.113 0.000 1.139 480 S HN -0.093 nan 8.310 nan 0.000 0.472 481 V N 2.378 122.214 119.914 -0.130 0.000 2.530 481 V HA 0.372 4.492 4.120 -0.000 0.000 0.282 481 V C -2.314 173.343 176.094 -0.727 0.000 1.048 481 V CA -1.501 60.471 62.300 -0.546 0.000 0.997 481 V CB 0.299 31.946 31.823 -0.294 0.000 0.987 481 V HN 0.744 nan 8.190 nan 0.000 0.477 482 P HA 0.130 nan 4.420 nan 0.000 0.261 482 P C -2.555 174.376 177.300 -0.616 0.000 1.183 482 P CA -0.832 61.547 63.100 -1.201 0.000 0.761 482 P CB -0.326 30.939 31.700 -0.725 0.000 0.785 483 P HA -0.095 nan 4.420 nan 0.000 0.261 483 P C 1.116 178.321 177.300 -0.159 0.000 1.183 483 P CA 0.257 63.224 63.100 -0.221 0.000 0.761 483 P CB 0.337 31.960 31.700 -0.129 0.000 0.785 484 V N 1.990 121.838 119.914 -0.110 0.000 2.649 484 V HA -0.123 3.997 4.120 -0.000 0.000 0.248 484 V C 2.168 178.300 176.094 0.064 0.000 1.054 484 V CA 1.360 63.628 62.300 -0.052 0.000 1.073 484 V CB -0.962 30.797 31.823 -0.106 0.000 0.699 484 V HN 0.293 nan 8.190 nan 0.000 0.463 485 K N 1.420 121.847 120.400 0.044 0.000 2.044 485 K HA -0.085 4.235 4.320 -0.000 0.000 0.210 485 K C 0.378 177.037 176.600 0.098 0.000 1.049 485 K CA 2.321 58.680 56.287 0.120 0.000 0.927 485 K CB -2.032 30.495 32.500 0.045 0.000 0.713 485 K HN 0.777 nan 8.250 nan 0.000 0.443 486 P HA 0.127 nan 4.420 nan 0.000 0.233 486 P C 0.114 177.366 177.300 -0.081 0.000 1.167 486 P CA 0.506 63.575 63.100 -0.051 0.000 0.770 486 P CB 0.003 31.651 31.700 -0.085 0.000 0.837 487 L N -0.647 120.565 121.223 -0.018 0.000 2.439 487 L HA 0.327 4.667 4.340 -0.000 0.000 0.259 487 L C 1.108 177.972 176.870 -0.009 0.000 1.129 487 L CA -1.219 53.614 54.840 -0.011 0.000 0.803 487 L CB 0.535 42.617 42.059 0.039 0.000 1.161 487 L HN -0.187 nan 8.230 nan 0.000 0.462 488 R N 0.274 120.771 120.500 -0.006 0.000 2.570 488 R HA 0.124 4.464 4.340 -0.000 0.000 0.277 488 R C -0.743 175.614 176.300 0.094 0.000 1.039 488 R CA 0.091 56.163 56.100 -0.046 0.000 1.065 488 R CB 0.279 30.581 30.300 0.005 0.000 0.964 488 R HN 0.594 nan 8.270 nan 0.000 0.428 489 H N 0.000 119.073 119.070 0.006 0.000 2.539 489 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 489 H CA 0.000 56.053 56.048 0.009 0.000 1.023 489 H CB 0.000 29.764 29.762 0.004 0.000 1.292 489 H HN 0.000 nan 8.280 nan 0.000 0.496