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_B DATA FIRST_RESID 1 DATA SEQUENCE MYSFPNSFRF GWSQAGFQSE MGTPGSEDPN TDWYKWVHDP ENMAAGLVSG DATA SEQUENCE DLPENGPGYW GNYKTFHDNA QKMGLKIARL NVEWSRIFPN PLPRPXXFDE DATA SEQUENCE SKQDVTEVEI NENELKRLDE YANKDALNHY REIFKDLKSR GLYFILNMYH DATA SEQUENCE WPLPLWLHDP IRVRRGDFTG PSGWLSTRTV YEFARFSAYI AWKFDDLVDE DATA SEQUENCE YSTMNEPNVV GGLGYVGVKS GFPPGYLSFE LSRRAMYNII QAHARAYDGI DATA SEQUENCE KSVSKKPVGI IYANSSFQPL TDKDMEAVEM AENDNRWWFF DAIIRGEITX DATA SEQUENCE XXEKIVRDDL 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 0.000 175.929 176.300 -0.618 0.000 1.140 1 M CA 0.000 55.093 55.300 -0.346 0.000 0.988 1 M CB 0.000 32.501 32.600 -0.165 0.000 1.302 2 Y N 1.437 121.654 120.300 -0.138 0.000 2.447 2 Y HA 0.493 5.043 4.550 -0.000 0.000 0.325 2 Y C -0.098 175.672 175.900 -0.217 0.000 0.976 2 Y CA -0.533 57.311 58.100 -0.426 0.000 1.280 2 Y CB 1.964 40.078 38.460 -0.576 0.000 1.104 2 Y HN 0.424 nan 8.280 nan 0.000 0.486 3 S N 3.645 119.375 115.700 0.051 0.000 2.508 3 S HA 0.586 5.056 4.470 -0.000 0.000 0.284 3 S C -0.635 174.026 174.600 0.102 0.000 1.192 3 S CA -0.520 57.779 58.200 0.165 0.000 1.070 3 S CB 0.483 63.751 63.200 0.114 0.000 1.004 3 S HN 0.342 nan 8.310 nan 0.000 0.493 4 F N 2.354 122.393 119.950 0.149 0.000 2.408 4 F HA 0.477 5.004 4.527 -0.000 0.000 0.325 4 F C -1.777 174.032 175.800 0.016 0.000 1.082 4 F CA -2.045 55.943 58.000 -0.020 0.000 1.032 4 F CB 0.034 38.907 39.000 -0.211 0.000 1.259 4 F HN 0.331 nan 8.300 nan 0.000 0.503 5 P HA 0.058 nan 4.420 nan 0.000 0.268 5 P C 0.246 177.648 177.300 0.171 0.000 1.208 5 P CA -0.029 63.138 63.100 0.112 0.000 0.777 5 P CB 0.541 32.290 31.700 0.081 0.000 0.875 6 N N 0.246 119.012 118.700 0.110 0.000 2.364 6 N HA -0.115 4.625 4.740 -0.000 0.000 0.183 6 N C 1.246 176.810 175.510 0.089 0.000 1.022 6 N CA 1.465 54.577 53.050 0.104 0.000 0.883 6 N CB -0.288 38.236 38.487 0.063 0.000 0.965 6 N HN 0.487 nan 8.380 nan 0.000 0.438 7 S N -0.463 115.277 115.700 0.066 0.000 2.524 7 S HA 0.075 4.545 4.470 -0.000 0.000 0.216 7 S C 0.491 175.084 174.600 -0.011 0.000 0.987 7 S CA -0.618 57.581 58.200 -0.002 0.000 0.909 7 S CB -0.420 62.748 63.200 -0.053 0.000 0.781 7 S HN 0.177 nan 8.310 nan 0.000 0.521 8 F N 3.480 123.387 119.950 -0.070 0.000 2.572 8 F HA 0.368 4.895 4.527 -0.000 0.000 0.370 8 F C 0.699 176.394 175.800 -0.175 0.000 1.103 8 F CA -0.217 57.706 58.000 -0.128 0.000 1.286 8 F CB 0.491 39.459 39.000 -0.054 0.000 1.105 8 F HN 0.006 nan 8.300 nan 0.000 0.583 9 R N 5.362 125.467 120.500 -0.658 0.000 2.599 9 R HA 0.412 4.752 4.340 -0.000 0.000 0.295 9 R C -1.600 174.404 176.300 -0.495 0.000 0.963 9 R CA -0.880 54.997 56.100 -0.371 0.000 0.883 9 R CB 1.541 31.686 30.300 -0.258 0.000 1.171 9 R HN 0.483 nan 8.270 nan 0.000 0.450 10 F N 0.590 120.570 119.950 0.051 0.000 2.421 10 F HA 0.632 5.159 4.527 -0.000 0.000 0.337 10 F C 1.076 176.987 175.800 0.185 0.000 1.105 10 F CA 0.116 58.228 58.000 0.188 0.000 1.049 10 F CB 2.028 41.102 39.000 0.122 0.000 1.139 10 F HN 0.670 nan 8.300 nan 0.000 0.479 11 G N 1.711 110.819 108.800 0.513 0.000 2.726 11 G HA2 0.472 4.432 3.960 -0.000 0.000 0.198 11 G HA3 0.472 4.432 3.960 -0.000 0.000 0.198 11 G C -2.218 173.084 174.900 0.671 0.000 1.195 11 G CA -0.497 44.910 45.100 0.511 0.000 0.951 11 G HN 0.751 nan 8.290 nan 0.000 0.532 12 W N -0.409 121.017 121.300 0.209 0.000 3.074 12 W HA 0.826 5.486 4.660 -0.000 0.000 0.332 12 W C -1.171 175.407 176.519 0.098 0.000 1.253 12 W CA -0.881 56.562 57.345 0.163 0.000 1.180 12 W CB 1.251 30.797 29.460 0.144 0.000 1.445 12 W HN 0.597 nan 8.180 nan 0.000 0.573 13 S N 1.617 117.369 115.700 0.088 0.000 2.536 13 S HA 0.653 5.123 4.470 -0.000 0.000 0.298 13 S C -1.025 173.554 174.600 -0.035 0.000 1.083 13 S CA -0.848 57.353 58.200 0.002 0.000 0.995 13 S CB 1.825 65.216 63.200 0.319 0.000 1.058 13 S HN 0.557 nan 8.310 nan 0.000 0.488 14 Q N 0.579 120.357 119.800 -0.037 0.000 2.590 14 Q HA 0.831 5.171 4.340 -0.000 0.000 0.295 14 Q C -1.845 174.183 176.000 0.046 0.000 0.973 14 Q CA -1.292 54.418 55.803 -0.155 0.000 0.768 14 Q CB 1.583 30.257 28.738 -0.107 0.000 1.479 14 Q HN 0.652 nan 8.270 nan 0.000 0.419 15 A N 0.116 122.923 122.820 -0.021 0.000 2.374 15 A HA 0.746 5.066 4.320 -0.000 0.000 0.317 15 A C 0.668 178.250 177.584 -0.004 0.000 1.094 15 A CA -0.123 51.806 52.037 -0.180 0.000 0.765 15 A CB 1.300 19.869 19.000 -0.718 0.000 1.268 15 A HN 0.955 nan 8.150 nan 0.000 0.438 16 G N 0.181 109.065 108.800 0.141 0.000 2.433 16 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.216 16 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.216 16 G C 1.238 176.262 174.900 0.207 0.000 1.186 16 G CA 1.495 46.760 45.100 0.276 0.000 0.779 16 G HN 0.761 nan 8.290 nan 0.000 0.543 17 F N 1.332 121.300 119.950 0.030 0.000 2.234 17 F HA 0.005 4.532 4.527 -0.000 0.000 0.299 17 F C 2.876 178.568 175.800 -0.180 0.000 1.087 17 F CA 1.657 59.634 58.000 -0.038 0.000 1.340 17 F CB 0.018 39.012 39.000 -0.010 0.000 1.031 17 F HN 0.200 nan 8.300 nan 0.000 0.500 18 Q N -1.232 118.439 119.800 -0.216 0.000 2.212 18 Q HA -0.045 4.295 4.340 -0.000 0.000 0.199 18 Q C 1.887 177.844 176.000 -0.073 0.000 0.950 18 Q CA 1.481 57.116 55.803 -0.280 0.000 0.863 18 Q CB 0.073 28.640 28.738 -0.285 0.000 0.944 18 Q HN 0.284 nan 8.270 nan 0.000 0.465 19 S N -0.283 115.410 115.700 -0.012 0.000 2.554 19 S HA 0.063 4.533 4.470 -0.000 0.000 0.227 19 S C 1.253 175.946 174.600 0.156 0.000 1.050 19 S CA -0.215 58.039 58.200 0.090 0.000 0.927 19 S CB 0.455 63.665 63.200 0.016 0.000 0.859 19 S HN 0.250 nan 8.310 nan 0.000 0.494 20 E N 1.389 121.680 120.200 0.152 0.000 2.028 20 E HA 0.025 4.375 4.350 -0.000 0.000 0.191 20 E C 0.380 177.074 176.600 0.156 0.000 0.988 20 E CA 0.780 57.330 56.400 0.251 0.000 0.799 20 E CB -0.042 29.796 29.700 0.231 0.000 0.755 20 E HN 0.436 nan 8.360 nan 0.000 0.447 21 M N -0.878 118.734 119.600 0.019 0.000 2.228 21 M HA 0.192 4.672 4.480 -0.000 0.000 0.326 21 M C 0.972 177.310 176.300 0.064 0.000 1.122 21 M CA 0.944 56.237 55.300 -0.011 0.000 1.161 21 M CB 1.192 33.736 32.600 -0.094 0.000 1.437 21 M HN 0.361 nan 8.290 nan 0.000 0.465 22 G N -0.053 108.783 108.800 0.061 0.000 3.006 22 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.195 22 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.195 22 G C 0.027 174.974 174.900 0.079 0.000 1.034 22 G CA -0.102 45.047 45.100 0.081 0.000 0.807 22 G HN 0.758 nan 8.290 nan 0.000 0.469 23 T N 1.713 116.325 114.554 0.097 0.000 2.817 23 T HA 0.607 4.957 4.350 -0.000 0.000 0.293 23 T C -2.609 172.135 174.700 0.073 0.000 0.964 23 T CA -1.574 60.579 62.100 0.089 0.000 1.085 23 T CB 1.889 70.826 68.868 0.115 0.000 0.921 23 T HN 0.096 nan 8.240 nan 0.000 0.502 24 P HA 0.218 nan 4.420 nan 0.000 0.263 24 P C 1.207 178.541 177.300 0.055 0.000 1.175 24 P CA 1.200 64.326 63.100 0.043 0.000 0.761 24 P CB 0.065 31.786 31.700 0.034 0.000 0.794 25 G N 2.128 110.948 108.800 0.033 0.000 2.176 25 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.232 25 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.232 25 G C 0.936 175.833 174.900 -0.004 0.000 0.986 25 G CA 0.418 45.540 45.100 0.037 0.000 0.643 25 G HN 0.631 nan 8.290 nan 0.000 0.522 26 S N -0.378 115.286 115.700 -0.060 0.000 2.535 26 S HA 0.352 4.822 4.470 -0.000 0.000 0.214 26 S C 0.560 174.915 174.600 -0.408 0.000 0.980 26 S CA 0.313 58.303 58.200 -0.349 0.000 0.907 26 S CB 0.382 63.504 63.200 -0.131 0.000 0.790 26 S HN 0.462 nan 8.310 nan 0.000 0.510 27 E N 2.517 122.593 120.200 -0.207 0.000 2.529 27 E HA 0.003 4.353 4.350 -0.000 0.000 0.259 27 E C -1.070 175.379 176.600 -0.251 0.000 0.966 27 E CA 0.564 56.867 56.400 -0.162 0.000 0.937 27 E CB 0.403 30.052 29.700 -0.086 0.000 0.923 27 E HN 0.337 nan 8.360 nan 0.000 0.468 28 D N 4.978 125.232 120.400 -0.244 0.000 2.408 28 D HA 0.170 4.810 4.640 -0.000 0.000 0.261 28 D C -2.014 174.018 176.300 -0.447 0.000 1.190 28 D CA -2.009 51.839 54.000 -0.253 0.000 0.910 28 D CB 1.046 41.761 40.800 -0.142 0.000 1.097 28 D HN 0.111 nan 8.370 nan 0.000 0.522 29 P HA 0.096 nan 4.420 nan 0.000 0.249 29 P C -0.084 176.912 177.300 -0.506 0.000 1.229 29 P CA 0.025 62.365 63.100 -1.268 0.000 0.788 29 P CB 0.362 31.587 31.700 -0.792 0.000 1.072 30 N N 0.724 119.299 118.700 -0.208 0.000 2.455 30 N HA 0.069 4.809 4.740 -0.000 0.000 0.258 30 N C 0.395 175.926 175.510 0.036 0.000 1.158 30 N CA 0.342 53.370 53.050 -0.037 0.000 0.893 30 N CB 0.275 38.772 38.487 0.016 0.000 1.173 30 N HN 0.277 nan 8.380 nan 0.000 0.503 31 T N -3.042 111.577 114.554 0.107 0.000 2.930 31 T HA 0.240 4.590 4.350 -0.000 0.000 0.290 31 T C 1.031 175.816 174.700 0.140 0.000 1.052 31 T CA -0.787 61.392 62.100 0.132 0.000 1.017 31 T CB 1.953 70.959 68.868 0.229 0.000 1.137 31 T HN -0.069 nan 8.240 nan 0.000 0.511 32 D N 0.272 120.704 120.400 0.054 0.000 2.104 32 D HA -0.178 4.461 4.640 -0.000 0.000 0.194 32 D C 1.508 177.849 176.300 0.067 0.000 0.994 32 D CA 1.298 55.280 54.000 -0.029 0.000 0.830 32 D CB -0.728 39.975 40.800 -0.162 0.000 0.959 32 D HN 0.734 nan 8.370 nan 0.000 0.452 33 W N -0.031 121.273 121.300 0.008 0.000 2.358 33 W HA -0.142 4.518 4.660 -0.000 0.000 0.303 33 W C 2.455 179.155 176.519 0.302 0.000 1.208 33 W CA 1.045 58.384 57.345 -0.010 0.000 1.274 33 W CB -0.632 28.495 29.460 -0.555 0.000 1.138 33 W HN 0.000 nan 8.180 nan 0.000 0.515 34 Y N 1.271 121.877 120.300 0.510 0.000 2.128 34 Y HA -0.329 4.221 4.550 -0.000 0.000 0.284 34 Y C 2.586 178.768 175.900 0.470 0.000 1.154 34 Y CA 2.574 61.026 58.100 0.586 0.000 1.149 34 Y CB -0.598 38.096 38.460 0.389 0.000 0.976 34 Y HN -0.137 nan 8.280 nan 0.000 0.505 35 K N -0.269 120.422 120.400 0.486 0.000 2.057 35 K HA -0.254 4.066 4.320 -0.000 0.000 0.207 35 K C 2.299 179.051 176.600 0.253 0.000 1.049 35 K CA 1.670 58.141 56.287 0.307 0.000 0.931 35 K CB -0.832 31.781 32.500 0.188 0.000 0.714 35 K HN 0.615 nan 8.250 nan 0.000 0.440 36 W N 1.751 123.075 121.300 0.040 0.000 2.335 36 W HA -0.218 4.442 4.660 -0.000 0.000 0.311 36 W C 1.605 178.141 176.519 0.029 0.000 1.213 36 W CA 2.232 59.537 57.345 -0.067 0.000 1.274 36 W CB -0.115 29.158 29.460 -0.312 0.000 1.148 36 W HN 0.095 nan 8.180 nan 0.000 0.498 37 V N -1.938 118.140 119.914 0.274 0.000 3.129 37 V HA -0.113 4.007 4.120 -0.000 0.000 0.259 37 V C 1.437 177.468 176.094 -0.105 0.000 1.116 37 V CA 1.802 64.187 62.300 0.142 0.000 1.127 37 V CB -1.111 30.948 31.823 0.393 0.000 0.742 37 V HN 0.082 nan 8.190 nan 0.000 0.474 38 H N 0.232 119.257 119.070 -0.076 0.000 2.548 38 H HA 0.282 4.838 4.556 -0.000 0.000 0.265 38 H C 0.585 175.856 175.328 -0.096 0.000 0.969 38 H CA 0.280 56.265 56.048 -0.105 0.000 1.155 38 H CB -0.106 29.578 29.762 -0.130 0.000 1.394 38 H HN 0.558 nan 8.280 nan 0.000 0.570 39 D N 1.041 121.410 120.400 -0.052 0.000 2.401 39 D HA -0.022 4.618 4.640 -0.000 0.000 0.254 39 D C -1.475 174.747 176.300 -0.130 0.000 1.192 39 D CA -1.480 52.448 54.000 -0.120 0.000 0.885 39 D CB 1.230 41.876 40.800 -0.257 0.000 1.147 39 D HN 0.027 nan 8.370 nan 0.000 0.478 40 P HA -0.154 nan 4.420 nan 0.000 0.215 40 P C 0.701 177.944 177.300 -0.095 0.000 1.153 40 P CA 1.233 64.291 63.100 -0.071 0.000 0.853 40 P CB 0.191 31.865 31.700 -0.043 0.000 0.788 41 E N -0.870 119.260 120.200 -0.116 0.000 2.047 41 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 41 E C 1.914 178.413 176.600 -0.168 0.000 0.987 41 E CA 0.862 57.189 56.400 -0.122 0.000 0.799 41 E CB -0.516 29.116 29.700 -0.115 0.000 0.752 41 E HN 0.190 nan 8.360 nan 0.000 0.449 42 N N 0.533 119.069 118.700 -0.274 0.000 2.137 42 N HA -0.175 4.565 4.740 -0.000 0.000 0.190 42 N C 1.726 177.114 175.510 -0.202 0.000 1.017 42 N CA 1.244 54.085 53.050 -0.349 0.000 0.859 42 N CB -0.139 37.946 38.487 -0.669 0.000 1.002 42 N HN 0.193 nan 8.380 nan 0.000 0.428 43 M N 0.090 119.595 119.600 -0.160 0.000 2.099 43 M HA -0.047 4.433 4.480 -0.000 0.000 0.262 43 M C 2.120 178.381 176.300 -0.065 0.000 1.067 43 M CA 1.387 56.629 55.300 -0.096 0.000 1.124 43 M CB -0.151 32.400 32.600 -0.081 0.000 1.353 43 M HN 0.148 nan 8.290 nan 0.000 0.410 44 A N 0.012 122.792 122.820 -0.066 0.000 1.972 44 A HA -0.002 4.318 4.320 -0.000 0.000 0.219 44 A C 2.182 179.743 177.584 -0.038 0.000 1.169 44 A CA 1.727 53.737 52.037 -0.045 0.000 0.635 44 A CB -0.761 18.213 19.000 -0.043 0.000 0.810 44 A HN 0.519 nan 8.150 nan 0.000 0.446 45 A N -1.785 121.004 122.820 -0.051 0.000 2.167 45 A HA 0.386 4.706 4.320 -0.000 0.000 0.214 45 A C 1.911 179.487 177.584 -0.015 0.000 1.151 45 A CA 1.265 53.281 52.037 -0.034 0.000 0.735 45 A CB -0.917 18.055 19.000 -0.047 0.000 0.802 45 A HN 1.850 nan 8.150 nan 0.000 0.467 46 G N -1.001 107.788 108.800 -0.017 0.000 2.155 46 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.257 46 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.257 46 G C 0.796 175.717 174.900 0.035 0.000 0.983 46 G CA 0.598 45.703 45.100 0.008 0.000 0.676 46 G HN 0.439 nan 8.290 nan 0.000 0.528 47 L N -0.492 120.742 121.223 0.019 0.000 2.156 47 L HA 0.153 4.493 4.340 -0.000 0.000 0.208 47 L C 1.771 178.722 176.870 0.134 0.000 1.095 47 L CA 1.545 56.433 54.840 0.081 0.000 0.770 47 L CB -0.286 41.796 42.059 0.039 0.000 0.914 47 L HN 0.489 nan 8.230 nan 0.000 0.439 48 V N -4.887 115.056 119.914 0.048 0.000 2.919 48 V HA 0.355 4.475 4.120 -0.000 0.000 0.316 48 V C 1.085 177.210 176.094 0.051 0.000 1.077 48 V CA -0.222 62.136 62.300 0.098 0.000 0.977 48 V CB 1.599 33.458 31.823 0.061 0.000 1.039 48 V HN 0.154 nan 8.190 nan 0.000 0.441 49 S N 0.770 116.501 115.700 0.052 0.000 2.428 49 S HA 0.221 4.691 4.470 -0.000 0.000 0.230 49 S C 1.684 176.285 174.600 0.002 0.000 1.014 49 S CA 1.261 59.468 58.200 0.013 0.000 0.957 49 S CB -0.195 62.989 63.200 -0.026 0.000 0.784 49 S HN 2.706 nan 8.310 nan 0.000 0.499 50 G N 0.712 109.510 108.800 -0.003 0.000 2.234 50 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.235 50 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.235 50 G C -0.366 174.528 174.900 -0.011 0.000 0.997 50 G CA 0.046 45.132 45.100 -0.023 0.000 0.623 50 G HN 0.544 nan 8.290 nan 0.000 0.514 51 D N 0.570 120.989 120.400 0.031 0.000 2.362 51 D HA 0.586 5.226 4.640 -0.000 0.000 0.242 51 D C 0.736 177.089 176.300 0.087 0.000 1.132 51 D CA 0.340 54.402 54.000 0.104 0.000 0.907 51 D CB 0.957 41.805 40.800 0.080 0.000 1.195 51 D HN 0.355 nan 8.370 nan 0.000 0.429 52 L N 2.835 124.075 121.223 0.028 0.000 2.386 52 L HA 0.308 4.648 4.340 -0.000 0.000 0.271 52 L C -1.536 175.078 176.870 -0.428 0.000 0.993 52 L CA -1.734 52.940 54.840 -0.277 0.000 0.819 52 L CB 2.683 44.575 42.059 -0.279 0.000 1.294 52 L HN 0.197 nan 8.230 nan 0.000 0.414 53 P HA -0.156 nan 4.420 nan 0.000 0.223 53 P C 0.810 177.914 177.300 -0.326 0.000 1.151 53 P CA 0.982 63.445 63.100 -1.062 0.000 0.787 53 P CB 0.180 30.973 31.700 -1.512 0.000 0.788 54 E N 0.736 120.860 120.200 -0.126 0.000 2.472 54 E HA -0.148 4.202 4.350 -0.000 0.000 0.200 54 E C 0.403 177.013 176.600 0.017 0.000 1.046 54 E CA 0.748 57.152 56.400 0.007 0.000 0.871 54 E CB -1.316 28.453 29.700 0.115 0.000 0.806 54 E HN 0.408 nan 8.360 nan 0.000 0.533 55 N N 1.011 119.726 118.700 0.026 0.000 2.327 55 N HA 0.159 4.899 4.740 -0.000 0.000 0.231 55 N C 0.563 175.978 175.510 -0.158 0.000 1.130 55 N CA -0.011 53.017 53.050 -0.036 0.000 0.845 55 N CB 0.882 39.331 38.487 -0.064 0.000 1.073 55 N HN 0.193 nan 8.380 nan 0.000 0.496 56 G N 1.505 110.331 108.800 0.044 0.000 2.489 56 G HA2 0.092 4.052 3.960 -0.000 0.000 0.271 56 G HA3 0.092 4.052 3.960 -0.000 0.000 0.271 56 G C -1.358 173.727 174.900 0.309 0.000 1.427 56 G CA -0.622 44.576 45.100 0.164 0.000 1.057 56 G HN -0.043 nan 8.290 nan 0.000 0.532 57 P HA 0.077 nan 4.420 nan 0.000 0.231 57 P C 0.993 178.490 177.300 0.329 0.000 1.168 57 P CA 1.256 64.576 63.100 0.367 0.000 0.779 57 P CB 0.343 32.298 31.700 0.425 0.000 0.844 58 G N -0.045 108.919 108.800 0.273 0.000 2.212 58 G HA2 -0.338 3.621 3.960 -0.000 0.000 0.255 58 G HA3 -0.338 3.621 3.960 -0.000 0.000 0.255 58 G C 0.450 175.484 174.900 0.223 0.000 1.062 58 G CA 0.166 45.400 45.100 0.224 0.000 0.815 58 G HN 0.258 nan 8.290 nan 0.000 0.497 59 Y N -0.767 119.519 120.300 -0.024 0.000 2.241 59 Y HA -0.141 4.409 4.550 -0.000 0.000 0.286 59 Y C 2.383 178.296 175.900 0.023 0.000 1.166 59 Y CA 2.394 60.279 58.100 -0.359 0.000 1.203 59 Y CB -0.140 37.985 38.460 -0.559 0.000 0.977 59 Y HN 0.566 nan 8.280 nan 0.000 0.529 60 W N 0.593 121.859 121.300 -0.056 0.000 2.335 60 W HA -0.207 4.453 4.660 -0.000 0.000 0.311 60 W C 2.111 178.681 176.519 0.085 0.000 1.213 60 W CA 1.969 59.267 57.345 -0.078 0.000 1.274 60 W CB -0.714 28.660 29.460 -0.145 0.000 1.148 60 W HN 0.254 nan 8.180 nan 0.000 0.498 61 G N -0.637 108.266 108.800 0.172 0.000 2.539 61 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.215 61 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.215 61 G C 1.018 175.863 174.900 -0.092 0.000 1.141 61 G CA 0.408 45.548 45.100 0.066 0.000 0.806 61 G HN 0.124 nan 8.290 nan 0.000 0.533 62 N N 0.070 118.721 118.700 -0.083 0.000 2.214 62 N HA 0.093 4.833 4.740 -0.000 0.000 0.214 62 N C 1.419 176.802 175.510 -0.211 0.000 1.132 62 N CA -0.300 52.684 53.050 -0.111 0.000 0.856 62 N CB 0.131 38.692 38.487 0.124 0.000 1.020 62 N HN 0.580 nan 8.380 nan 0.000 0.509 63 Y N 0.938 120.945 120.300 -0.488 0.000 2.241 63 Y HA -0.112 4.438 4.550 -0.000 0.000 0.286 63 Y C 1.843 177.413 175.900 -0.550 0.000 1.166 63 Y CA 1.060 58.657 58.100 -0.839 0.000 1.203 63 Y CB -0.541 37.138 38.460 -1.303 0.000 0.977 63 Y HN -0.139 nan 8.280 nan 0.000 0.529 64 K N 0.249 120.191 120.400 -0.763 0.000 2.026 64 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 64 K C 2.060 178.602 176.600 -0.096 0.000 1.048 64 K CA 2.047 58.126 56.287 -0.348 0.000 0.929 64 K CB -0.500 31.762 32.500 -0.397 0.000 0.713 64 K HN 0.421 nan 8.250 nan 0.000 0.439 65 T N 1.245 115.755 114.554 -0.073 0.000 2.684 65 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 65 T C 1.648 176.404 174.700 0.094 0.000 1.036 65 T CA 1.472 63.583 62.100 0.017 0.000 1.148 65 T CB -0.385 68.487 68.868 0.007 0.000 0.863 65 T HN 0.053 nan 8.240 nan 0.000 0.436 66 F N 1.301 121.205 119.950 -0.076 0.000 2.095 66 F HA -0.095 4.432 4.527 -0.000 0.000 0.298 66 F C 2.444 178.259 175.800 0.025 0.000 1.104 66 F CA 1.238 59.215 58.000 -0.038 0.000 1.232 66 F CB -0.936 38.145 39.000 0.135 0.000 0.987 66 F HN 0.412 nan 8.300 nan 0.000 0.475 67 H N -1.789 117.485 119.070 0.339 0.000 2.423 67 H HA -0.152 4.404 4.556 -0.000 0.000 0.297 67 H C 1.944 177.363 175.328 0.153 0.000 1.075 67 H CA 0.717 56.928 56.048 0.273 0.000 1.342 67 H CB -0.074 29.865 29.762 0.296 0.000 1.395 67 H HN 0.152 nan 8.280 nan 0.000 0.530 68 D N 0.674 121.208 120.400 0.224 0.000 2.092 68 D HA -0.162 4.478 4.640 -0.000 0.000 0.193 68 D C 1.840 178.223 176.300 0.139 0.000 0.994 68 D CA 0.963 55.047 54.000 0.140 0.000 0.828 68 D CB -0.132 40.717 40.800 0.082 0.000 0.963 68 D HN 0.361 nan 8.370 nan 0.000 0.450 69 N N 0.433 119.200 118.700 0.113 0.000 2.120 69 N HA -0.130 4.610 4.740 -0.000 0.000 0.188 69 N C 1.826 177.373 175.510 0.061 0.000 1.024 69 N CA 1.128 54.264 53.050 0.144 0.000 0.852 69 N CB -0.205 38.273 38.487 -0.015 0.000 1.003 69 N HN 0.138 nan 8.380 nan 0.000 0.424 70 A N 1.209 124.003 122.820 -0.043 0.000 1.933 70 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 70 A C 2.203 179.848 177.584 0.102 0.000 1.175 70 A CA 1.449 53.452 52.037 -0.057 0.000 0.628 70 A CB -0.664 18.277 19.000 -0.098 0.000 0.814 70 A HN 0.374 nan 8.150 nan 0.000 0.444 71 Q N -0.256 119.632 119.800 0.146 0.000 2.046 71 Q HA -0.177 4.163 4.340 -0.000 0.000 0.200 71 Q C 1.939 178.020 176.000 0.135 0.000 0.975 71 Q CA 1.759 57.646 55.803 0.140 0.000 0.836 71 Q CB -0.134 28.683 28.738 0.132 0.000 0.896 71 Q HN 0.662 nan 8.270 nan 0.000 0.428 72 K N -0.040 120.462 120.400 0.171 0.000 2.211 72 K HA -0.144 4.176 4.320 -0.000 0.000 0.204 72 K C 1.856 178.623 176.600 0.277 0.000 1.047 72 K CA 1.307 57.713 56.287 0.198 0.000 0.935 72 K CB -0.095 32.543 32.500 0.231 0.000 0.728 72 K HN 0.316 nan 8.250 nan 0.000 0.452 73 M N -0.437 119.334 119.600 0.285 0.000 2.595 73 M HA 0.017 4.497 4.480 -0.000 0.000 0.248 73 M C 0.412 176.744 176.300 0.054 0.000 1.119 73 M CA 0.739 56.163 55.300 0.206 0.000 1.079 73 M CB 0.497 33.084 32.600 -0.022 0.000 1.472 73 M HN 0.372 nan 8.290 nan 0.000 0.501 74 G N 1.475 110.319 108.800 0.073 0.000 2.143 74 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.248 74 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.248 74 G C -0.064 174.863 174.900 0.046 0.000 0.991 74 G CA -0.056 45.072 45.100 0.047 0.000 0.689 74 G HN 0.446 nan 8.290 nan 0.000 0.522 75 L N -0.560 120.708 121.223 0.074 0.000 2.439 75 L HA 0.399 4.739 4.340 -0.000 0.000 0.269 75 L C 1.374 178.351 176.870 0.177 0.000 1.179 75 L CA 0.027 54.955 54.840 0.146 0.000 0.828 75 L CB 0.997 43.217 42.059 0.268 0.000 1.106 75 L HN 0.015 nan 8.230 nan 0.000 0.467 76 K N 2.734 123.238 120.400 0.174 0.000 2.483 76 K HA 0.439 4.759 4.320 -0.000 0.000 0.206 76 K C -0.276 176.391 176.600 0.111 0.000 1.086 76 K CA -0.172 56.192 56.287 0.128 0.000 1.052 76 K CB 0.715 33.271 32.500 0.093 0.000 0.904 76 K HN 0.575 nan 8.250 nan 0.000 0.557 77 I N -0.542 120.097 120.570 0.117 0.000 2.913 77 I HA 0.705 4.875 4.170 -0.000 0.000 0.302 77 I C -2.109 173.966 176.117 -0.071 0.000 1.246 77 I CA -1.051 60.276 61.300 0.045 0.000 1.010 77 I CB 2.111 40.101 38.000 -0.017 0.000 1.259 77 I HN 0.125 nan 8.210 nan 0.000 0.434 78 A N 5.977 128.658 122.820 -0.233 0.000 2.520 78 A HA 0.792 5.112 4.320 -0.000 0.000 0.298 78 A C -1.620 175.746 177.584 -0.362 0.000 1.051 78 A CA -0.655 51.019 52.037 -0.605 0.000 0.690 78 A CB 1.972 20.400 19.000 -0.953 0.000 1.281 78 A HN 0.609 nan 8.150 nan 0.000 0.402 79 R N 2.505 122.761 120.500 -0.406 0.000 2.476 79 R HA 0.724 5.064 4.340 -0.000 0.000 0.305 79 R C -1.970 174.256 176.300 -0.123 0.000 0.965 79 R CA -0.329 55.660 56.100 -0.183 0.000 0.867 79 R CB 0.520 30.757 30.300 -0.105 0.000 1.176 79 R HN 0.744 nan 8.270 nan 0.000 0.447 80 L N 3.130 124.366 121.223 0.022 0.000 2.277 80 L HA 0.595 4.935 4.340 -0.000 0.000 0.254 80 L C -0.041 176.932 176.870 0.172 0.000 1.044 80 L CA -1.204 53.710 54.840 0.124 0.000 0.842 80 L CB 1.928 44.129 42.059 0.237 0.000 1.422 80 L HN 0.644 nan 8.230 nan 0.000 0.422 81 N N -0.213 118.641 118.700 0.256 0.000 2.328 81 N HA 0.537 5.277 4.740 -0.000 0.000 0.299 81 N C -0.936 174.769 175.510 0.324 0.000 1.179 81 N CA -0.653 52.564 53.050 0.278 0.000 0.793 81 N CB 2.348 41.037 38.487 0.336 0.000 1.366 81 N HN 0.421 nan 8.380 nan 0.000 0.493 82 V N -1.627 118.425 119.914 0.229 0.000 2.546 82 V HA 0.404 4.524 4.120 -0.000 0.000 0.284 82 V C 0.250 176.605 176.094 0.435 0.000 1.050 82 V CA -0.647 61.683 62.300 0.049 0.000 0.981 82 V CB 0.893 32.651 31.823 -0.109 0.000 0.990 82 V HN 0.576 nan 8.190 nan 0.000 0.474 83 E N 4.117 124.648 120.200 0.553 0.000 2.105 83 E HA 0.043 4.393 4.350 -0.000 0.000 0.285 83 E C 0.313 177.266 176.600 0.588 0.000 1.055 83 E CA -0.285 56.453 56.400 0.563 0.000 0.843 83 E CB 0.899 30.896 29.700 0.495 0.000 1.067 83 E HN 1.011 nan 8.360 nan 0.000 0.398 84 W N 4.281 125.719 121.300 0.231 0.000 2.277 84 W HA -0.338 4.322 4.660 -0.000 0.000 0.327 84 W C 2.002 178.598 176.519 0.130 0.000 1.284 84 W CA 2.611 59.845 57.345 -0.186 0.000 1.277 84 W CB -0.836 28.344 29.460 -0.467 0.000 1.141 84 W HN 0.523 nan 8.180 nan 0.000 0.482 85 S N 0.093 115.998 115.700 0.342 0.000 2.419 85 S HA -0.205 4.265 4.470 -0.000 0.000 0.235 85 S C 1.948 176.709 174.600 0.268 0.000 1.019 85 S CA 1.441 59.776 58.200 0.225 0.000 0.982 85 S CB -0.619 62.665 63.200 0.139 0.000 0.789 85 S HN 0.419 nan 8.310 nan 0.000 0.490 86 R N 0.216 120.907 120.500 0.317 0.000 2.093 86 R HA 0.162 4.502 4.340 -0.000 0.000 0.224 86 R C 2.025 178.498 176.300 0.287 0.000 1.101 86 R CA 1.279 57.531 56.100 0.254 0.000 0.979 86 R CB -0.248 30.230 30.300 0.296 0.000 0.877 86 R HN 0.435 nan 8.270 nan 0.000 0.441 87 I N -0.475 120.324 120.570 0.382 0.000 2.400 87 I HA -0.066 4.104 4.170 -0.000 0.000 0.248 87 I C 0.469 176.468 176.117 -0.197 0.000 1.109 87 I CA 1.161 62.566 61.300 0.174 0.000 1.425 87 I CB -0.284 37.937 38.000 0.369 0.000 1.094 87 I HN -0.057 nan 8.210 nan 0.000 0.425 88 F N 2.767 122.995 119.950 0.462 0.000 2.449 88 F HA 0.363 4.890 4.527 -0.000 0.000 0.344 88 F C -1.562 174.469 175.800 0.386 0.000 1.180 88 F CA -1.962 56.277 58.000 0.398 0.000 1.209 88 F CB 0.293 39.602 39.000 0.515 0.000 1.440 88 F HN -0.101 nan 8.300 nan 0.000 0.526 89 P HA -0.068 nan 4.420 nan 0.000 0.229 89 P C -0.500 176.945 177.300 0.241 0.000 1.160 89 P CA 0.875 64.140 63.100 0.274 0.000 0.777 89 P CB 0.306 32.094 31.700 0.147 0.000 0.814 90 N N 0.756 119.498 118.700 0.071 0.000 2.370 90 N HA 0.328 5.068 4.740 -0.000 0.000 0.303 90 N C -2.729 172.263 175.510 -0.864 0.000 1.103 90 N CA -2.169 50.761 53.050 -0.200 0.000 0.848 90 N CB 1.022 39.478 38.487 -0.053 0.000 1.235 90 N HN -0.021 nan 8.380 nan 0.000 0.496 91 P HA 0.031 nan 4.420 nan 0.000 0.268 91 P C -0.792 175.813 177.300 -1.158 0.000 1.205 91 P CA 0.217 62.335 63.100 -1.637 0.000 0.771 91 P CB 0.822 32.164 31.700 -0.596 0.000 0.858 92 L N 4.247 124.658 121.223 -1.353 0.000 2.360 92 L HA 0.410 4.750 4.340 -0.000 0.000 0.271 92 L C -1.607 174.948 176.870 -0.526 0.000 1.057 92 L CA -2.356 51.941 54.840 -0.905 0.000 0.803 92 L CB 0.626 42.247 42.059 -0.730 0.000 1.207 92 L HN 0.263 nan 8.230 nan 0.000 0.445 93 P HA 0.049 nan 4.420 nan 0.000 0.265 93 P C -0.305 176.924 177.300 -0.120 0.000 1.193 93 P CA -0.216 62.774 63.100 -0.185 0.000 0.765 93 P CB 0.282 31.922 31.700 -0.100 0.000 0.823 94 R N 4.389 124.853 120.500 -0.061 0.000 2.537 94 R HA 0.162 4.502 4.340 -0.000 0.000 0.281 94 R C -1.347 174.930 176.300 -0.039 0.000 0.988 94 R CA -0.676 55.407 56.100 -0.029 0.000 1.077 94 R CB -2.022 nan 30.300 nan 0.000 0.932 94 R HN 0.554 nan 8.270 nan 0.000 0.409 99 D N 4.883 124.892 120.400 -0.652 0.000 2.412 99 D HA 0.241 4.881 4.640 -0.000 0.000 0.224 99 D C 0.705 176.588 176.300 -0.695 0.000 1.093 99 D CA 0.065 53.772 54.000 -0.490 0.000 0.850 99 D CB 1.147 41.771 40.800 -0.293 0.000 1.046 99 D HN 0.712 nan 8.370 nan 0.000 0.507 100 E N 1.359 121.296 120.200 -0.438 0.000 2.338 100 E HA -0.108 4.242 4.350 -0.000 0.000 0.197 100 E C 1.303 177.800 176.600 -0.171 0.000 1.007 100 E CA 0.575 56.809 56.400 -0.276 0.000 0.849 100 E CB 0.302 29.991 29.700 -0.017 0.000 0.774 100 E HN 0.548 nan 8.360 nan 0.000 0.506 101 S N -0.109 115.493 115.700 -0.164 0.000 2.528 101 S HA 0.045 4.515 4.470 -0.000 0.000 0.219 101 S C 1.083 175.620 174.600 -0.106 0.000 0.985 101 S CA 0.054 58.191 58.200 -0.105 0.000 0.914 101 S CB -0.194 62.957 63.200 -0.082 0.000 0.776 101 S HN 0.113 nan 8.310 nan 0.000 0.526 102 K N 1.670 121.976 120.400 -0.156 0.000 2.379 102 K HA 0.301 4.621 4.320 -0.000 0.000 0.284 102 K C 0.864 177.435 176.600 -0.049 0.000 1.044 102 K CA -0.239 55.980 56.287 -0.113 0.000 0.974 102 K CB -0.327 32.082 32.500 -0.151 0.000 0.962 102 K HN 0.486 nan 8.250 nan 0.000 0.474 103 Q N 0.342 120.141 119.800 -0.002 0.000 2.050 103 Q HA -0.104 4.235 4.340 -0.000 0.000 0.202 103 Q C -0.295 175.817 176.000 0.188 0.000 0.980 103 Q CA 1.495 57.340 55.803 0.070 0.000 0.840 103 Q CB 0.288 29.038 28.738 0.021 0.000 0.898 103 Q HN 0.861 nan 8.270 nan 0.000 0.424 104 D N -0.503 119.982 120.400 0.142 0.000 2.210 104 D HA 0.213 4.853 4.640 -0.000 0.000 0.249 104 D C -1.014 175.348 176.300 0.104 0.000 1.062 104 D CA -0.192 53.900 54.000 0.154 0.000 0.891 104 D CB 1.895 42.769 40.800 0.123 0.000 1.186 104 D HN -0.209 nan 8.370 nan 0.000 0.432 105 V N 2.228 122.208 119.914 0.111 0.000 2.284 105 V HA 0.162 4.282 4.120 -0.000 0.000 0.274 105 V C 1.261 177.408 176.094 0.088 0.000 1.023 105 V CA -0.452 61.935 62.300 0.146 0.000 0.808 105 V CB 0.831 32.792 31.823 0.230 0.000 1.035 105 V HN 0.773 nan 8.190 nan 0.000 0.445 106 T N 0.024 114.621 114.554 0.073 0.000 3.067 106 T HA 0.202 4.552 4.350 -0.000 0.000 0.257 106 T C 0.417 175.142 174.700 0.042 0.000 1.105 106 T CA 0.320 62.444 62.100 0.039 0.000 1.104 106 T CB 0.587 69.474 68.868 0.030 0.000 0.925 106 T HN 0.594 nan 8.240 nan 0.000 0.498 107 E N -0.048 120.197 120.200 0.075 0.000 2.335 107 E HA 0.531 4.881 4.350 -0.000 0.000 0.280 107 E C -2.214 174.455 176.600 0.115 0.000 0.918 107 E CA -0.796 55.645 56.400 0.068 0.000 0.765 107 E CB 2.611 32.344 29.700 0.054 0.000 1.218 107 E HN 0.025 nan 8.360 nan 0.000 0.425 108 V N 2.180 122.136 119.914 0.071 0.000 2.447 108 V HA 0.447 4.567 4.120 -0.000 0.000 0.292 108 V C -0.151 175.946 176.094 0.005 0.000 1.021 108 V CA -0.379 61.966 62.300 0.074 0.000 0.850 108 V CB 1.103 32.910 31.823 -0.027 0.000 1.005 108 V HN 0.807 nan 8.190 nan 0.000 0.426 109 E N 5.576 125.801 120.200 0.041 0.000 2.223 109 E HA 0.654 5.004 4.350 -0.000 0.000 0.282 109 E C -0.696 175.876 176.600 -0.046 0.000 1.046 109 E CA -0.047 56.355 56.400 0.002 0.000 0.857 109 E CB 0.993 nan 29.700 nan 0.000 1.055 109 E HN 0.688 nan 8.360 nan 0.000 0.409 110 I N 2.805 123.324 120.570 -0.085 0.000 2.498 110 I HA 0.481 4.651 4.170 -0.000 0.000 0.290 110 I C -0.323 175.715 176.117 -0.132 0.000 1.032 110 I CA -0.919 60.301 61.300 -0.133 0.000 1.073 110 I CB 2.179 40.072 38.000 -0.179 0.000 1.251 110 I HN 0.784 nan 8.210 nan 0.000 0.426 111 N N 2.627 121.239 118.700 -0.147 0.000 2.902 111 N HA 0.288 5.028 4.740 -0.000 0.000 0.268 111 N C 0.359 175.739 175.510 -0.217 0.000 1.450 111 N CA -0.912 52.049 53.050 -0.148 0.000 0.819 111 N CB 0.646 39.080 38.487 -0.088 0.000 1.540 111 N HN 0.473 nan 8.380 nan 0.000 0.545 112 E N 0.060 120.147 120.200 -0.188 0.000 2.086 112 E HA -0.268 4.082 4.350 -0.000 0.000 0.200 112 E C 0.739 177.227 176.600 -0.186 0.000 1.012 112 E CA 2.184 58.458 56.400 -0.209 0.000 0.812 112 E CB -0.271 29.389 29.700 -0.067 0.000 0.743 112 E HN 0.574 nan 8.360 nan 0.000 0.453 113 N N 0.041 118.681 118.700 -0.100 0.000 2.084 113 N HA -0.204 4.536 4.740 -0.000 0.000 0.190 113 N C 1.924 177.392 175.510 -0.070 0.000 1.030 113 N CA 1.369 54.385 53.050 -0.056 0.000 0.849 113 N CB -0.323 38.150 38.487 -0.024 0.000 1.012 113 N HN 0.338 nan 8.380 nan 0.000 0.423 114 E N 1.351 121.494 120.200 -0.095 0.000 2.085 114 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 114 E C 2.165 178.691 176.600 -0.124 0.000 0.994 114 E CA 0.682 57.030 56.400 -0.087 0.000 0.801 114 E CB 0.010 29.653 29.700 -0.095 0.000 0.743 114 E HN 0.274 nan 8.360 nan 0.000 0.453 115 L N 0.457 121.514 121.223 -0.276 0.000 2.083 115 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 115 L C 2.547 179.280 176.870 -0.228 0.000 1.083 115 L CA 1.275 55.858 54.840 -0.427 0.000 0.752 115 L CB -0.260 41.078 42.059 -1.203 0.000 0.899 115 L HN 0.045 nan 8.230 nan 0.000 0.433 116 K N -0.440 119.866 120.400 -0.157 0.000 2.148 116 K HA -0.117 4.203 4.320 -0.000 0.000 0.204 116 K C 2.264 178.959 176.600 0.158 0.000 1.050 116 K CA 0.918 57.281 56.287 0.127 0.000 0.942 116 K CB -0.016 32.559 32.500 0.124 0.000 0.724 116 K HN 0.265 nan 8.250 nan 0.000 0.446 117 R N 0.585 121.145 120.500 0.100 0.000 2.073 117 R HA -0.009 4.331 4.340 -0.000 0.000 0.229 117 R C 2.342 178.786 176.300 0.240 0.000 1.120 117 R CA 0.812 56.997 56.100 0.141 0.000 0.967 117 R CB -0.269 30.094 30.300 0.105 0.000 0.862 117 R HN 0.175 nan 8.270 nan 0.000 0.436 118 L N 0.843 122.184 121.223 0.197 0.000 2.042 118 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 118 L C 1.960 179.044 176.870 0.358 0.000 1.076 118 L CA 1.423 56.391 54.840 0.213 0.000 0.749 118 L CB -0.477 41.583 42.059 0.001 0.000 0.893 118 L HN 0.181 nan 8.230 nan 0.000 0.432 119 D N 0.304 120.962 120.400 0.430 0.000 2.203 119 D HA -0.247 4.393 4.640 -0.000 0.000 0.199 119 D C 2.089 178.575 176.300 0.311 0.000 0.997 119 D CA 1.669 55.982 54.000 0.520 0.000 0.863 119 D CB 0.267 41.406 40.800 0.564 0.000 0.928 119 D HN 0.453 nan 8.370 nan 0.000 0.458 120 E N -1.249 119.086 120.200 0.224 0.000 2.435 120 E HA -0.072 4.278 4.350 -0.000 0.000 0.195 120 E C 1.558 178.132 176.600 -0.045 0.000 1.029 120 E CA 0.533 56.963 56.400 0.049 0.000 0.865 120 E CB -0.886 nan 29.700 nan 0.000 0.833 120 E HN 0.546 nan 8.360 nan 0.000 0.510 121 Y N -0.082 120.317 120.300 0.165 0.000 2.510 121 Y HA 0.501 5.050 4.550 -0.000 0.000 0.273 121 Y C 1.773 177.756 175.900 0.138 0.000 1.119 121 Y CA 0.034 58.243 58.100 0.181 0.000 1.286 121 Y CB 0.439 39.045 38.460 0.243 0.000 1.061 121 Y HN 0.330 nan 8.280 nan 0.000 0.542 122 A N 1.177 124.097 122.820 0.167 0.000 2.462 122 A HA 0.025 4.345 4.320 -0.000 0.000 0.243 122 A C 0.315 177.869 177.584 -0.050 0.000 1.076 122 A CA -0.383 51.512 52.037 -0.238 0.000 0.773 122 A CB -0.053 18.854 19.000 -0.156 0.000 1.010 122 A HN 0.349 nan 8.150 nan 0.000 0.493 123 N N 1.642 120.302 118.700 -0.065 0.000 2.405 123 N HA 0.020 4.760 4.740 -0.000 0.000 0.260 123 N C 0.640 176.209 175.510 0.098 0.000 1.152 123 N CA -0.175 52.904 53.050 0.050 0.000 0.948 123 N CB 0.651 39.187 38.487 0.083 0.000 1.111 123 N HN 0.539 nan 8.380 nan 0.000 0.485 124 K N 2.635 123.090 120.400 0.092 0.000 2.155 124 K HA -0.070 4.250 4.320 -0.000 0.000 0.203 124 K C 0.675 177.345 176.600 0.117 0.000 1.052 124 K CA 0.827 57.174 56.287 0.100 0.000 0.948 124 K CB 0.186 32.728 32.500 0.071 0.000 0.728 124 K HN 0.587 nan 8.250 nan 0.000 0.448 125 D N 1.084 121.555 120.400 0.117 0.000 2.097 125 D HA -0.137 4.503 4.640 -0.000 0.000 0.195 125 D C 1.830 178.256 176.300 0.210 0.000 0.989 125 D CA 1.351 55.433 54.000 0.137 0.000 0.827 125 D CB -0.060 40.813 40.800 0.123 0.000 0.966 125 D HN 0.128 nan 8.370 nan 0.000 0.456 126 A N 0.777 123.752 122.820 0.258 0.000 1.902 126 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 126 A C 2.444 180.299 177.584 0.451 0.000 1.181 126 A CA 0.897 53.170 52.037 0.393 0.000 0.623 126 A CB -0.813 18.407 19.000 0.366 0.000 0.818 126 A HN 0.186 nan 8.150 nan 0.000 0.443 127 L N -0.605 120.849 121.223 0.385 0.000 2.046 127 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 127 L C 2.363 179.418 176.870 0.309 0.000 1.077 127 L CA 1.738 56.833 54.840 0.425 0.000 0.747 127 L CB -0.578 41.633 42.059 0.254 0.000 0.896 127 L HN 0.510 nan 8.230 nan 0.000 0.432 128 N N -1.517 117.284 118.700 0.168 0.000 2.142 128 N HA -0.227 4.513 4.740 -0.000 0.000 0.186 128 N C 1.825 177.321 175.510 -0.023 0.000 1.023 128 N CA 0.902 53.992 53.050 0.067 0.000 0.852 128 N CB -0.112 38.399 38.487 0.040 0.000 0.998 128 N HN 0.325 nan 8.380 nan 0.000 0.424 129 H N -0.377 118.607 119.070 -0.144 0.000 2.321 129 H HA -0.125 4.431 4.556 -0.000 0.000 0.300 129 H C 1.492 176.433 175.328 -0.646 0.000 1.087 129 H CA 1.769 57.535 56.048 -0.471 0.000 1.319 129 H CB -0.058 29.276 29.762 -0.714 0.000 1.379 129 H HN 0.234 nan 8.280 nan 0.000 0.501 130 Y N 0.553 120.665 120.300 -0.314 0.000 2.151 130 Y HA -0.254 4.296 4.550 -0.000 0.000 0.284 130 Y C 2.924 178.301 175.900 -0.872 0.000 1.166 130 Y CA 1.847 59.530 58.100 -0.695 0.000 1.163 130 Y CB -0.515 37.687 38.460 -0.431 0.000 0.974 130 Y HN 0.192 nan 8.280 nan 0.000 0.511 131 R N 0.557 121.040 120.500 -0.029 0.000 2.091 131 R HA -0.210 4.130 4.340 -0.000 0.000 0.238 131 R C 1.988 178.195 176.300 -0.155 0.000 1.136 131 R CA 2.051 58.212 56.100 0.102 0.000 0.959 131 R CB -0.230 30.187 30.300 0.194 0.000 0.856 131 R HN 0.412 nan 8.270 nan 0.000 0.437 132 E N 0.189 120.197 120.200 -0.320 0.000 2.077 132 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 132 E C 2.027 178.317 176.600 -0.517 0.000 0.989 132 E CA 1.682 57.855 56.400 -0.378 0.000 0.800 132 E CB -0.110 29.307 29.700 -0.472 0.000 0.746 132 E HN 0.415 nan 8.360 nan 0.000 0.452 133 I N 0.414 120.435 120.570 -0.916 0.000 2.127 133 I HA -0.269 3.901 4.170 -0.000 0.000 0.241 133 I C 1.975 177.948 176.117 -0.241 0.000 1.075 133 I CA 1.076 61.816 61.300 -0.935 0.000 1.334 133 I CB -0.318 37.069 38.000 -1.022 0.000 1.040 133 I HN 0.082 nan 8.210 nan 0.000 0.405 134 F N 1.198 120.984 119.950 -0.274 0.000 2.234 134 F HA -0.092 4.435 4.527 -0.000 0.000 0.299 134 F C 2.447 178.092 175.800 -0.259 0.000 1.087 134 F CA 0.823 58.601 58.000 -0.370 0.000 1.340 134 F CB -1.114 37.690 39.000 -0.326 0.000 1.031 134 F HN -0.026 nan 8.300 nan 0.000 0.500 135 K N 0.210 120.624 120.400 0.025 0.000 2.057 135 K HA -0.224 4.096 4.320 -0.000 0.000 0.207 135 K C 1.764 178.366 176.600 0.002 0.000 1.049 135 K CA 1.889 58.184 56.287 0.012 0.000 0.931 135 K CB -0.464 32.040 32.500 0.006 0.000 0.714 135 K HN 0.206 nan 8.250 nan 0.000 0.440 136 D N 0.629 121.049 120.400 0.034 0.000 2.144 136 D HA -0.157 4.483 4.640 -0.000 0.000 0.200 136 D C 1.893 178.213 176.300 0.033 0.000 0.978 136 D CA 0.495 54.568 54.000 0.122 0.000 0.833 136 D CB 0.112 41.108 40.800 0.326 0.000 0.961 136 D HN -0.015 nan 8.370 nan 0.000 0.470 137 L N 0.635 121.761 121.223 -0.162 0.000 1.989 137 L HA -0.162 4.178 4.340 -0.000 0.000 0.211 137 L C 1.921 178.656 176.870 -0.225 0.000 1.071 137 L CA 1.723 56.290 54.840 -0.455 0.000 0.749 137 L CB -0.422 41.297 42.059 -0.566 0.000 0.890 137 L HN -0.117 nan 8.230 nan 0.000 0.431 138 K N -0.187 120.113 120.400 -0.166 0.000 2.147 138 K HA -0.073 4.247 4.320 -0.000 0.000 0.205 138 K C 2.282 178.866 176.600 -0.027 0.000 1.049 138 K CA 1.364 57.600 56.287 -0.085 0.000 0.936 138 K CB -0.894 31.575 32.500 -0.052 0.000 0.722 138 K HN 0.627 nan 8.250 nan 0.000 0.446 139 S N 0.765 116.458 115.700 -0.012 0.000 2.515 139 S HA -0.033 4.437 4.470 -0.000 0.000 0.231 139 S C 1.296 175.914 174.600 0.030 0.000 0.987 139 S CA 0.261 58.471 58.200 0.016 0.000 0.936 139 S CB 0.023 63.239 63.200 0.027 0.000 0.766 139 S HN 0.116 nan 8.310 nan 0.000 0.528 140 R N 0.840 121.357 120.500 0.028 0.000 2.356 140 R HA 0.293 4.633 4.340 -0.000 0.000 0.234 140 R C 1.473 177.808 176.300 0.058 0.000 0.929 140 R CA 0.448 56.581 56.100 0.056 0.000 1.084 140 R CB -0.941 29.410 30.300 0.087 0.000 1.105 140 R HN 0.587 nan 8.270 nan 0.000 0.515 141 G N 1.536 110.361 108.800 0.043 0.000 2.160 141 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.251 141 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.251 141 G C 0.009 174.951 174.900 0.070 0.000 1.008 141 G CA -0.020 45.113 45.100 0.055 0.000 0.724 141 G HN 0.275 nan 8.290 nan 0.000 0.514 142 L N 0.162 121.414 121.223 0.048 0.000 2.313 142 L HA 0.427 4.767 4.340 -0.000 0.000 0.282 142 L C 0.870 177.778 176.870 0.063 0.000 1.092 142 L CA -1.240 53.634 54.840 0.056 0.000 0.831 142 L CB 0.606 42.669 42.059 0.006 0.000 1.159 142 L HN 0.220 nan 8.230 nan 0.000 0.442 143 Y N 4.084 124.358 120.300 -0.043 0.000 2.511 143 Y HA 0.081 4.631 4.550 -0.000 0.000 0.332 143 Y C -0.457 175.412 175.900 -0.051 0.000 1.177 143 Y CA 0.143 58.209 58.100 -0.056 0.000 1.422 143 Y CB 0.459 38.869 38.460 -0.083 0.000 1.271 143 Y HN 0.367 nan 8.280 nan 0.000 0.550 144 F N 8.092 127.738 119.950 -0.508 0.000 2.403 144 F HA 0.463 4.990 4.527 -0.000 0.000 0.355 144 F C -1.174 174.293 175.800 -0.555 0.000 1.119 144 F CA -2.077 55.634 58.000 -0.482 0.000 1.007 144 F CB 0.177 38.901 39.000 -0.460 0.000 1.194 144 F HN 0.325 nan 8.300 nan 0.000 0.443 145 I N 7.243 127.551 120.570 -0.436 0.000 2.304 145 I HA 0.200 4.370 4.170 -0.000 0.000 0.291 145 I C -0.854 174.828 176.117 -0.725 0.000 1.018 145 I CA -0.854 60.110 61.300 -0.561 0.000 1.260 145 I CB 1.322 39.105 38.000 -0.360 0.000 1.390 145 I HN 0.384 nan 8.210 nan 0.000 0.475 146 L N 7.727 128.391 121.223 -0.932 0.000 2.272 146 L HA 0.442 4.782 4.340 -0.000 0.000 0.289 146 L C -0.355 176.402 176.870 -0.189 0.000 1.032 146 L CA -0.051 54.324 54.840 -0.776 0.000 0.810 146 L CB 1.018 42.449 42.059 -1.047 0.000 1.205 146 L HN 0.496 nan 8.230 nan 0.000 0.422 147 N N 4.396 123.083 118.700 -0.021 0.000 2.456 147 N HA 0.299 5.039 4.740 -0.000 0.000 0.288 147 N C 0.543 176.200 175.510 0.246 0.000 1.059 147 N CA -0.432 52.713 53.050 0.158 0.000 0.946 147 N CB 1.050 39.655 38.487 0.197 0.000 1.150 147 N HN 0.575 nan 8.380 nan 0.000 0.479 148 M N 1.470 121.280 119.600 0.349 0.000 2.435 148 M HA 0.082 4.562 4.480 -0.000 0.000 0.265 148 M C -0.454 176.305 176.300 0.765 0.000 1.104 148 M CA 0.724 56.320 55.300 0.493 0.000 1.140 148 M CB -0.736 32.112 32.600 0.414 0.000 1.372 148 M HN 0.584 nan 8.290 nan 0.000 0.456 149 Y N -0.294 120.312 120.300 0.510 0.000 2.362 149 Y HA 0.335 4.885 4.550 -0.000 0.000 0.326 149 Y C -0.827 175.307 175.900 0.389 0.000 1.083 149 Y CA -1.339 57.053 58.100 0.487 0.000 1.073 149 Y CB 0.782 39.468 38.460 0.376 0.000 1.211 149 Y HN 0.231 nan 8.280 nan 0.000 0.433 150 H N 6.432 125.378 119.070 -0.208 0.000 2.779 150 H HA 0.255 4.811 4.556 -0.000 0.000 0.230 150 H C -0.725 174.352 175.328 -0.420 0.000 1.365 150 H CA -0.101 55.730 56.048 -0.362 0.000 1.086 150 H CB 0.099 29.781 29.762 -0.133 0.000 2.038 150 H HN 0.783 nan 8.280 nan 0.000 0.558 151 W N -3.182 117.606 121.300 -0.853 0.000 0.300 151 W HA -0.189 4.471 4.660 -0.000 0.000 0.214 151 W C -2.330 174.246 176.519 0.095 0.000 0.914 151 W CA 0.278 57.346 57.345 -0.463 0.000 0.325 151 W CB -2.596 26.595 29.460 -0.449 0.000 1.907 151 W HN 0.336 nan 8.180 nan 0.000 1.063 152 P HA 0.304 nan 4.420 nan 0.000 0.271 152 P C 0.162 177.716 177.300 0.425 0.000 1.220 152 P CA 0.601 63.948 63.100 0.413 0.000 0.768 152 P CB 0.365 32.203 31.700 0.230 0.000 0.848 153 L N 5.969 127.334 121.223 0.236 0.000 2.331 153 L HA 0.496 4.836 4.340 -0.000 0.000 0.275 153 L C -2.180 174.526 176.870 -0.273 0.000 1.022 153 L CA -2.772 52.010 54.840 -0.097 0.000 0.812 153 L CB 1.570 43.462 42.059 -0.278 0.000 1.257 153 L HN 0.147 nan 8.230 nan 0.000 0.435 154 P HA 0.003 nan 4.420 nan 0.000 0.266 154 P C 0.788 177.799 177.300 -0.483 0.000 1.195 154 P CA 0.086 62.844 63.100 -0.570 0.000 0.768 154 P CB 0.598 31.635 31.700 -1.105 0.000 0.838 155 L N 2.764 123.872 121.223 -0.192 0.000 2.127 155 L HA -0.147 4.193 4.340 -0.000 0.000 0.211 155 L C 2.103 178.919 176.870 -0.091 0.000 1.089 155 L CA 1.333 56.112 54.840 -0.102 0.000 0.757 155 L CB -0.611 41.450 42.059 0.004 0.000 0.899 155 L HN 0.654 nan 8.230 nan 0.000 0.434 156 W N -0.667 120.562 121.300 -0.119 0.000 2.525 156 W HA -0.098 4.562 4.660 -0.000 0.000 0.259 156 W C 1.298 177.731 176.519 -0.143 0.000 1.253 156 W CA 0.316 57.594 57.345 -0.111 0.000 1.262 156 W CB -0.590 28.811 29.460 -0.098 0.000 1.122 156 W HN 0.177 nan 8.180 nan 0.000 0.607 157 L N -0.474 120.317 121.223 -0.720 0.000 2.556 157 L HA 0.241 4.581 4.340 -0.000 0.000 0.226 157 L C 0.453 177.123 176.870 -0.332 0.000 1.089 157 L CA 0.562 54.996 54.840 -0.677 0.000 0.864 157 L CB -0.189 41.167 42.059 -1.171 0.000 1.067 157 L HN -0.010 nan 8.230 nan 0.000 0.477 158 H N -0.263 118.586 119.070 -0.369 0.000 3.149 158 H HA 0.118 4.674 4.556 -0.000 0.000 0.334 158 H C -1.571 173.667 175.328 -0.149 0.000 1.000 158 H CA -0.686 55.216 56.048 -0.243 0.000 1.415 158 H CB 1.660 31.253 29.762 -0.282 0.000 1.819 158 H HN -0.152 nan 8.280 nan 0.000 0.486 159 D N 7.437 127.737 120.400 -0.166 0.000 2.443 159 D HA 0.137 4.777 4.640 -0.000 0.000 0.221 159 D C -1.724 174.345 176.300 -0.385 0.000 1.097 159 D CA -2.473 51.389 54.000 -0.229 0.000 0.865 159 D CB 1.896 42.642 40.800 -0.089 0.000 1.034 159 D HN 0.350 nan 8.370 nan 0.000 0.511 160 P HA -0.052 nan 4.420 nan 0.000 0.224 160 P C 1.550 178.829 177.300 -0.036 0.000 1.157 160 P CA 0.198 63.005 63.100 -0.488 0.000 0.799 160 P CB 0.672 32.086 31.700 -0.477 0.000 0.809 161 I N 0.212 120.788 120.570 0.010 0.000 2.286 161 I HA -0.079 4.091 4.170 -0.000 0.000 0.245 161 I C 2.696 178.798 176.117 -0.025 0.000 1.104 161 I CA 0.941 62.263 61.300 0.036 0.000 1.397 161 I CB -1.426 36.569 38.000 -0.009 0.000 1.072 161 I HN -0.041 nan 8.210 nan 0.000 0.417 162 R N 0.573 121.030 120.500 -0.071 0.000 2.094 162 R HA -0.159 4.181 4.340 -0.000 0.000 0.239 162 R C 2.425 178.603 176.300 -0.204 0.000 1.137 162 R CA 1.742 57.774 56.100 -0.112 0.000 0.943 162 R CB -0.358 29.879 30.300 -0.105 0.000 0.850 162 R HN 0.182 nan 8.270 nan 0.000 0.433 163 V N 0.741 120.524 119.914 -0.220 0.000 2.295 163 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 163 V C 2.471 178.429 176.094 -0.225 0.000 1.049 163 V CA 1.932 64.002 62.300 -0.383 0.000 1.024 163 V CB -0.660 31.097 31.823 -0.110 0.000 0.648 163 V HN 0.378 nan 8.190 nan 0.000 0.447 164 R N 0.224 120.739 120.500 0.025 0.000 2.119 164 R HA -0.222 4.117 4.340 -0.000 0.000 0.246 164 R C 2.391 178.777 176.300 0.143 0.000 1.146 164 R CA 1.965 58.174 56.100 0.181 0.000 0.962 164 R CB -0.225 30.226 30.300 0.252 0.000 0.863 164 R HN 0.440 nan 8.270 nan 0.000 0.442 165 R N -1.145 119.367 120.500 0.019 0.000 2.339 165 R HA -0.003 4.337 4.340 -0.000 0.000 0.199 165 R C 1.037 177.333 176.300 -0.006 0.000 1.018 165 R CA 0.618 56.721 56.100 0.005 0.000 1.036 165 R CB 0.175 30.455 30.300 -0.034 0.000 0.899 165 R HN 0.584 nan 8.270 nan 0.000 0.473 166 G N 1.432 110.162 108.800 -0.116 0.000 2.132 166 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.234 166 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.234 166 G C -0.615 174.040 174.900 -0.408 0.000 0.989 166 G CA 0.113 45.108 45.100 -0.176 0.000 0.676 166 G HN 0.382 nan 8.290 nan 0.000 0.522 167 D N -0.314 119.766 120.400 -0.534 0.000 2.373 167 D HA 0.568 5.208 4.640 -0.000 0.000 0.227 167 D C 0.513 176.503 176.300 -0.516 0.000 1.091 167 D CA -0.970 52.824 54.000 -0.344 0.000 0.840 167 D CB 0.074 40.768 40.800 -0.176 0.000 1.060 167 D HN 0.032 nan 8.370 nan 0.000 0.502 168 F N 1.491 121.405 119.950 -0.060 0.000 2.639 168 F HA 0.101 4.628 4.527 -0.000 0.000 0.300 168 F C 2.187 177.970 175.800 -0.028 0.000 1.109 168 F CA -0.119 57.845 58.000 -0.060 0.000 1.335 168 F CB 0.342 39.287 39.000 -0.091 0.000 1.014 168 F HN 0.345 nan 8.300 nan 0.000 0.537 169 T N -3.187 111.413 114.554 0.077 0.000 3.081 169 T HA 0.302 4.652 4.350 -0.000 0.000 0.255 169 T C 1.224 175.948 174.700 0.041 0.000 1.113 169 T CA 0.385 62.520 62.100 0.058 0.000 1.082 169 T CB -0.108 68.782 68.868 0.037 0.000 0.939 169 T HN 0.173 nan 8.240 nan 0.000 0.506 170 G N 1.760 110.576 108.800 0.027 0.000 2.583 170 G HA2 0.600 4.560 3.960 -0.000 0.000 0.280 170 G HA3 0.600 4.560 3.960 -0.000 0.000 0.280 170 G C -2.818 172.107 174.900 0.043 0.000 1.376 170 G CA -1.900 43.215 45.100 0.024 0.000 1.043 170 G HN 0.131 nan 8.290 nan 0.000 0.538 171 P HA 0.168 nan 4.420 nan 0.000 0.271 171 P C 0.276 177.627 177.300 0.086 0.000 1.233 171 P CA 0.044 63.164 63.100 0.033 0.000 0.764 171 P CB 1.254 32.960 31.700 0.009 0.000 0.825 172 S N 1.936 117.666 115.700 0.051 0.000 2.663 172 S HA 0.430 4.900 4.470 -0.000 0.000 0.243 172 S C 1.144 175.635 174.600 -0.183 0.000 1.009 172 S CA 0.122 58.371 58.200 0.081 0.000 0.988 172 S CB -0.789 62.484 63.200 0.122 0.000 0.896 172 S HN 0.665 nan 8.310 nan 0.000 0.502 173 G N 1.887 110.456 108.800 -0.385 0.000 2.611 173 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.301 173 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.301 173 G C 0.325 174.905 174.900 -0.532 0.000 1.233 173 G CA 0.362 45.009 45.100 -0.756 0.000 0.993 173 G HN 0.591 nan 8.290 nan 0.000 0.553 174 W N 0.990 122.155 121.300 -0.224 0.000 2.848 174 W HA 0.335 4.995 4.660 -0.000 0.000 0.241 174 W C 2.328 178.803 176.519 -0.073 0.000 1.289 174 W CA 0.310 57.593 57.345 -0.103 0.000 1.396 174 W CB -0.215 29.212 29.460 -0.054 0.000 1.138 174 W HN 0.284 nan 8.180 nan 0.000 0.677 175 L N -0.036 121.227 121.223 0.067 0.000 2.599 175 L HA 0.068 4.408 4.340 -0.000 0.000 0.230 175 L C 1.210 178.108 176.870 0.046 0.000 1.141 175 L CA 0.332 55.188 54.840 0.028 0.000 0.877 175 L CB -0.443 41.615 42.059 -0.002 0.000 1.009 175 L HN -0.223 nan 8.230 nan 0.000 0.447 176 S N -1.006 114.723 115.700 0.048 0.000 2.519 176 S HA 0.221 4.691 4.470 -0.000 0.000 0.309 176 S C 1.143 175.821 174.600 0.129 0.000 1.100 176 S CA -0.325 57.915 58.200 0.066 0.000 1.059 176 S CB 1.446 64.663 63.200 0.028 0.000 1.008 176 S HN 0.291 nan 8.310 nan 0.000 0.478 177 T N 2.863 117.535 114.554 0.196 0.000 2.929 177 T HA -0.136 4.214 4.350 -0.000 0.000 0.271 177 T C 1.750 176.685 174.700 0.391 0.000 1.085 177 T CA 1.141 63.432 62.100 0.318 0.000 1.125 177 T CB -0.380 68.697 68.868 0.348 0.000 0.874 177 T HN 0.638 nan 8.240 nan 0.000 0.494 178 R N 1.633 122.315 120.500 0.304 0.000 2.103 178 R HA -0.089 4.250 4.340 -0.000 0.000 0.242 178 R C 2.314 178.666 176.300 0.087 0.000 1.142 178 R CA 2.180 58.373 56.100 0.156 0.000 0.960 178 R CB -1.284 29.092 30.300 0.128 0.000 0.858 178 R HN 0.452 nan 8.270 nan 0.000 0.439 179 T N -0.232 114.323 114.554 0.003 0.000 2.788 179 T HA -0.085 4.265 4.350 -0.000 0.000 0.268 179 T C 1.794 176.556 174.700 0.104 0.000 1.044 179 T CA 1.399 63.422 62.100 -0.129 0.000 1.139 179 T CB -0.230 68.342 68.868 -0.493 0.000 0.867 179 T HN 0.034 nan 8.240 nan 0.000 0.454 180 V N 0.674 120.729 119.914 0.234 0.000 2.287 180 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 180 V C 2.035 178.296 176.094 0.279 0.000 1.053 180 V CA 1.784 64.299 62.300 0.358 0.000 1.027 180 V CB -0.754 31.265 31.823 0.327 0.000 0.646 180 V HN 0.522 nan 8.190 nan 0.000 0.447 181 Y N 1.267 121.596 120.300 0.049 0.000 2.145 181 Y HA -0.201 4.349 4.550 -0.000 0.000 0.286 181 Y C 2.610 178.477 175.900 -0.055 0.000 1.145 181 Y CA 1.977 60.006 58.100 -0.118 0.000 1.148 181 Y CB -0.138 37.965 38.460 -0.595 0.000 0.981 181 Y HN 0.235 nan 8.280 nan 0.000 0.507 182 E N -0.345 119.881 120.200 0.043 0.000 2.150 182 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 182 E C 2.044 178.726 176.600 0.136 0.000 0.985 182 E CA 0.964 57.423 56.400 0.098 0.000 0.814 182 E CB -0.735 29.176 29.700 0.352 0.000 0.752 182 E HN 0.560 nan 8.360 nan 0.000 0.466 183 F N 1.819 121.797 119.950 0.047 0.000 2.146 183 F HA -0.105 4.422 4.527 -0.000 0.000 0.298 183 F C 2.256 177.950 175.800 -0.176 0.000 1.096 183 F CA 1.270 59.140 58.000 -0.217 0.000 1.275 183 F CB -0.449 38.563 39.000 0.020 0.000 1.008 183 F HN -0.024 nan 8.300 nan 0.000 0.480 184 A N 0.439 123.103 122.820 -0.260 0.000 1.908 184 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 184 A C 2.338 179.683 177.584 -0.397 0.000 1.181 184 A CA 1.931 53.755 52.037 -0.355 0.000 0.627 184 A CB -0.711 18.161 19.000 -0.214 0.000 0.818 184 A HN 0.451 nan 8.150 nan 0.000 0.445 185 R N -2.021 118.251 120.500 -0.381 0.000 2.066 185 R HA -0.038 4.302 4.340 -0.000 0.000 0.232 185 R C 1.984 178.149 176.300 -0.224 0.000 1.131 185 R CA 1.436 57.339 56.100 -0.329 0.000 0.955 185 R CB -0.510 29.552 30.300 -0.396 0.000 0.851 185 R HN 0.586 nan 8.270 nan 0.000 0.432 186 F N 1.397 121.094 119.950 -0.421 0.000 2.091 186 F HA -0.252 4.275 4.527 -0.000 0.000 0.299 186 F C 2.036 177.671 175.800 -0.275 0.000 1.103 186 F CA 1.793 59.571 58.000 -0.370 0.000 1.228 186 F CB -0.331 38.144 39.000 -0.875 0.000 0.984 186 F HN -0.118 nan 8.300 nan 0.000 0.477 187 S N 0.654 115.962 115.700 -0.653 0.000 2.355 187 S HA -0.109 4.361 4.470 -0.000 0.000 0.222 187 S C 2.362 176.686 174.600 -0.460 0.000 1.031 187 S CA 0.981 58.777 58.200 -0.674 0.000 0.993 187 S CB -1.007 61.756 63.200 -0.728 0.000 0.859 187 S HN 0.558 nan 8.310 nan 0.000 0.453 188 A N 0.825 123.430 122.820 -0.359 0.000 1.908 188 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 188 A C 1.970 179.486 177.584 -0.114 0.000 1.181 188 A CA 1.797 53.684 52.037 -0.251 0.000 0.627 188 A CB -1.077 17.783 19.000 -0.233 0.000 0.818 188 A HN 0.577 nan 8.150 nan 0.000 0.445 189 Y N 0.382 120.577 120.300 -0.175 0.000 2.165 189 Y HA -0.210 4.340 4.550 -0.000 0.000 0.286 189 Y C 2.075 178.027 175.900 0.088 0.000 1.155 189 Y CA 1.788 59.909 58.100 0.035 0.000 1.164 189 Y CB -0.061 38.475 38.460 0.127 0.000 0.978 189 Y HN 0.247 nan 8.280 nan 0.000 0.513 190 I N 0.146 120.674 120.570 -0.071 0.000 2.252 190 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 190 I C 2.655 178.812 176.117 0.068 0.000 1.102 190 I CA 1.422 62.714 61.300 -0.013 0.000 1.385 190 I CB -1.907 35.971 38.000 -0.204 0.000 1.064 190 I HN 0.351 nan 8.210 nan 0.000 0.414 191 A N -0.064 122.715 122.820 -0.069 0.000 1.940 191 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 191 A C 2.214 179.833 177.584 0.057 0.000 1.176 191 A CA 1.619 53.630 52.037 -0.044 0.000 0.631 191 A CB -1.208 17.537 19.000 -0.426 0.000 0.814 191 A HN 0.576 nan 8.150 nan 0.000 0.446 192 W N 0.978 122.152 121.300 -0.209 0.000 2.355 192 W HA -0.129 4.531 4.660 -0.000 0.000 0.309 192 W C 1.956 178.313 176.519 -0.270 0.000 1.206 192 W CA 1.971 59.182 57.345 -0.223 0.000 1.284 192 W CB 0.014 29.317 29.460 -0.263 0.000 1.145 192 W HN 0.128 nan 8.180 nan 0.000 0.502 193 K N -0.836 119.331 120.400 -0.389 0.000 2.103 193 K HA -0.079 4.241 4.320 -0.000 0.000 0.204 193 K C 1.444 177.663 176.600 -0.635 0.000 1.052 193 K CA 1.212 57.068 56.287 -0.719 0.000 0.945 193 K CB -0.747 31.200 32.500 -0.923 0.000 0.722 193 K HN 0.213 nan 8.250 nan 0.000 0.443 194 F N 0.094 120.024 119.950 -0.033 0.000 2.682 194 F HA 0.105 4.632 4.527 -0.000 0.000 0.308 194 F C 1.474 177.304 175.800 0.049 0.000 1.093 194 F CA -0.600 57.438 58.000 0.062 0.000 1.244 194 F CB 0.139 39.245 39.000 0.177 0.000 1.052 194 F HN -0.060 nan 8.300 nan 0.000 0.573 195 D N 1.178 121.678 120.400 0.166 0.000 2.190 195 D HA -0.226 4.414 4.640 -0.000 0.000 0.200 195 D C 1.940 178.274 176.300 0.056 0.000 0.992 195 D CA 1.914 55.998 54.000 0.140 0.000 0.854 195 D CB -0.010 40.861 40.800 0.119 0.000 0.936 195 D HN 0.342 nan 8.370 nan 0.000 0.462 196 D N -0.272 120.153 120.400 0.042 0.000 2.264 196 D HA -0.162 4.478 4.640 -0.000 0.000 0.208 196 D C 1.971 178.299 176.300 0.047 0.000 0.966 196 D CA 0.639 54.654 54.000 0.025 0.000 0.864 196 D CB -0.359 40.443 40.800 0.003 0.000 0.933 196 D HN 0.379 nan 8.370 nan 0.000 0.499 197 L N 0.158 121.446 121.223 0.108 0.000 2.515 197 L HA 0.163 4.503 4.340 -0.000 0.000 0.223 197 L C 0.701 177.626 176.870 0.092 0.000 1.079 197 L CA -0.094 54.832 54.840 0.142 0.000 0.857 197 L CB 0.590 42.824 42.059 0.293 0.000 1.050 197 L HN -0.183 nan 8.230 nan 0.000 0.476 198 V N 0.632 120.501 119.914 -0.075 0.000 2.607 198 V HA 0.068 4.188 4.120 -0.000 0.000 0.289 198 V C 0.518 176.331 176.094 -0.468 0.000 1.053 198 V CA -0.103 61.935 62.300 -0.437 0.000 0.996 198 V CB 1.706 33.057 31.823 -0.788 0.000 0.995 198 V HN 0.168 nan 8.190 nan 0.000 0.476 199 D N 1.728 121.750 120.400 -0.630 0.000 2.369 199 D HA 0.150 4.790 4.640 -0.000 0.000 0.231 199 D C 0.410 176.381 176.300 -0.549 0.000 0.967 199 D CA 0.679 54.285 54.000 -0.657 0.000 0.905 199 D CB 0.931 40.987 40.800 -1.240 0.000 1.044 199 D HN 0.688 nan 8.370 nan 0.000 0.487 200 E N -0.698 119.137 120.200 -0.608 0.000 2.416 200 E HA 0.434 4.784 4.350 -0.000 0.000 0.273 200 E C -1.348 175.020 176.600 -0.387 0.000 0.935 200 E CA -0.703 55.506 56.400 -0.319 0.000 0.784 200 E CB 2.161 31.768 29.700 -0.155 0.000 1.301 200 E HN -0.074 nan 8.360 nan 0.000 0.454 201 Y N 0.034 120.424 120.300 0.151 0.000 2.468 201 Y HA 0.453 5.003 4.550 -0.000 0.000 0.342 201 Y C 0.077 176.137 175.900 0.266 0.000 1.021 201 Y CA -0.624 57.527 58.100 0.086 0.000 1.079 201 Y CB 2.430 40.885 38.460 -0.010 0.000 1.226 201 Y HN 0.328 nan 8.280 nan 0.000 0.460 202 S N -0.126 115.768 115.700 0.323 0.000 2.500 202 S HA 0.319 4.789 4.470 -0.000 0.000 0.301 202 S C 0.712 175.436 174.600 0.207 0.000 1.092 202 S CA -0.124 58.179 58.200 0.172 0.000 1.030 202 S CB 0.936 64.231 63.200 0.157 0.000 1.031 202 S HN 0.837 nan 8.310 nan 0.000 0.483 203 T N 2.058 116.744 114.554 0.220 0.000 2.770 203 T HA 0.158 4.508 4.350 -0.000 0.000 0.263 203 T C 0.838 175.829 174.700 0.484 0.000 1.039 203 T CA 0.938 63.250 62.100 0.352 0.000 1.142 203 T CB -0.511 68.627 68.868 0.449 0.000 0.868 203 T HN 0.782 nan 8.240 nan 0.000 0.435 204 M N -0.219 119.587 119.600 0.342 0.000 2.578 204 M HA 0.612 5.092 4.480 -0.000 0.000 0.276 204 M C -1.906 174.483 176.300 0.148 0.000 1.245 204 M CA -1.065 54.435 55.300 0.333 0.000 0.871 204 M CB 2.019 34.832 32.600 0.354 0.000 1.722 204 M HN -0.050 nan 8.290 nan 0.000 0.473 205 N N 0.681 119.414 118.700 0.055 0.000 2.424 205 N HA 0.305 5.045 4.740 -0.000 0.000 0.271 205 N C -1.146 174.349 175.510 -0.026 0.000 0.985 205 N CA -0.038 52.928 53.050 -0.141 0.000 0.921 205 N CB 1.027 39.138 38.487 -0.626 0.000 1.149 205 N HN 0.851 nan 8.380 nan 0.000 0.492 206 E N 1.771 121.939 120.200 -0.054 0.000 2.197 206 E HA -0.174 4.176 4.350 -0.000 0.000 0.184 206 E C -1.758 174.741 176.600 -0.169 0.000 1.439 206 E CA 0.049 56.377 56.400 -0.120 0.000 0.688 206 E CB -0.617 29.108 29.700 0.041 0.000 1.090 206 E HN 0.674 nan 8.360 nan 0.000 0.341 207 P HA -0.220 nan 4.420 nan 0.000 0.220 207 P C 1.104 178.188 177.300 -0.360 0.000 1.148 207 P CA 1.441 64.383 63.100 -0.264 0.000 0.803 207 P CB 0.006 31.577 31.700 -0.214 0.000 0.782 208 N N 0.479 118.843 118.700 -0.560 0.000 2.223 208 N HA -0.093 4.647 4.740 -0.000 0.000 0.185 208 N C 1.567 176.865 175.510 -0.353 0.000 1.016 208 N CA 1.150 53.929 53.050 -0.452 0.000 0.863 208 N CB -1.608 36.467 38.487 -0.687 0.000 0.983 208 N HN 0.071 nan 8.380 nan 0.000 0.429 209 V N 0.771 120.428 119.914 -0.429 0.000 2.488 209 V HA -0.096 4.024 4.120 -0.000 0.000 0.246 209 V C 2.661 178.445 176.094 -0.517 0.000 1.046 209 V CA 0.737 62.755 62.300 -0.469 0.000 1.053 209 V CB -0.327 31.206 31.823 -0.484 0.000 0.679 209 V HN 0.093 nan 8.190 nan 0.000 0.458 210 V N 1.220 120.802 119.914 -0.554 0.000 2.255 210 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 210 V C 2.631 178.639 176.094 -0.142 0.000 1.051 210 V CA 2.507 64.563 62.300 -0.407 0.000 1.018 210 V CB -1.410 30.241 31.823 -0.287 0.000 0.641 210 V HN 0.601 nan 8.190 nan 0.000 0.445 211 G N -0.679 108.080 108.800 -0.067 0.000 2.403 211 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.216 211 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.216 211 G C 1.566 176.544 174.900 0.129 0.000 1.154 211 G CA 0.866 46.050 45.100 0.140 0.000 0.784 211 G HN 0.598 nan 8.290 nan 0.000 0.538 212 G N 0.929 109.710 108.800 -0.033 0.000 2.404 212 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.214 212 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.214 212 G C 1.750 176.586 174.900 -0.106 0.000 1.189 212 G CA 0.638 45.708 45.100 -0.051 0.000 0.789 212 G HN 0.388 nan 8.290 nan 0.000 0.533 213 L N 0.803 121.871 121.223 -0.259 0.000 2.179 213 L HA 0.128 4.468 4.340 -0.000 0.000 0.208 213 L C 3.131 179.863 176.870 -0.229 0.000 1.096 213 L CA 0.650 55.282 54.840 -0.346 0.000 0.779 213 L CB -0.653 40.915 42.059 -0.817 0.000 0.922 213 L HN 0.313 nan 8.230 nan 0.000 0.443 214 G N -0.317 108.342 108.800 -0.234 0.000 2.442 214 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.219 214 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.219 214 G C 1.048 175.596 174.900 -0.586 0.000 1.141 214 G CA 0.979 45.797 45.100 -0.470 0.000 0.763 214 G HN 0.424 nan 8.290 nan 0.000 0.554 215 Y N -2.131 118.175 120.300 0.010 0.000 2.610 215 Y HA 0.386 4.936 4.550 -0.000 0.000 0.254 215 Y C 1.727 177.655 175.900 0.048 0.000 1.110 215 Y CA -0.297 57.844 58.100 0.068 0.000 1.238 215 Y CB 0.873 39.399 38.460 0.111 0.000 1.322 215 Y HN 0.036 nan 8.280 nan 0.000 0.547 216 V N -1.735 118.260 119.914 0.134 0.000 3.161 216 V HA 0.266 4.386 4.120 -0.000 0.000 0.221 216 V C 1.675 177.789 176.094 0.033 0.000 1.296 216 V CA 0.698 63.063 62.300 0.110 0.000 1.306 216 V CB -0.373 31.557 31.823 0.178 0.000 1.171 216 V HN 0.211 nan 8.190 nan 0.000 0.513 217 G N 1.545 110.334 108.800 -0.017 0.000 3.284 217 G HA2 0.261 4.221 3.960 -0.000 0.000 0.251 217 G HA3 0.261 4.221 3.960 -0.000 0.000 0.251 217 G C 1.122 175.989 174.900 -0.055 0.000 0.913 217 G CA 0.658 45.727 45.100 -0.052 0.000 1.947 217 G HN 0.479 nan 8.290 nan 0.000 0.635 218 V N -1.243 118.662 119.914 -0.014 0.000 2.759 218 V HA -0.022 4.098 4.120 -0.000 0.000 0.256 218 V C 2.256 178.388 176.094 0.063 0.000 1.080 218 V CA 1.338 63.648 62.300 0.017 0.000 1.101 218 V CB -0.336 31.496 31.823 0.016 0.000 0.698 218 V HN 0.425 nan 8.190 nan 0.000 0.477 219 K N 1.090 121.518 120.400 0.047 0.000 2.362 219 K HA -0.018 4.302 4.320 -0.000 0.000 0.200 219 K C 2.257 178.925 176.600 0.113 0.000 1.046 219 K CA 1.287 57.620 56.287 0.076 0.000 0.952 219 K CB -0.270 32.266 32.500 0.060 0.000 0.753 219 K HN 0.527 nan 8.250 nan 0.000 0.466 220 S N 0.229 115.976 115.700 0.078 0.000 2.469 220 S HA -0.066 4.404 4.470 -0.000 0.000 0.238 220 S C 1.230 176.059 174.600 0.383 0.000 0.998 220 S CA 0.987 59.261 58.200 0.123 0.000 0.957 220 S CB -0.243 62.843 63.200 -0.190 0.000 0.764 220 S HN 0.628 nan 8.310 nan 0.000 0.514 221 G N 1.003 110.028 108.800 0.374 0.000 2.246 221 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.273 221 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.273 221 G C -0.216 175.087 174.900 0.673 0.000 1.055 221 G CA -0.247 45.179 45.100 0.544 0.000 0.851 221 G HN 0.343 nan 8.290 nan 0.000 0.500 222 F N 1.213 121.149 119.950 -0.024 0.000 2.399 222 F HA 0.527 5.054 4.527 -0.000 0.000 0.334 222 F C -1.187 173.923 175.800 -1.149 0.000 1.097 222 F CA -3.040 54.668 58.000 -0.486 0.000 1.076 222 F CB 1.559 40.365 39.000 -0.322 0.000 1.162 222 F HN -0.060 nan 8.300 nan 0.000 0.495 223 P HA 0.134 nan 4.420 nan 0.000 0.275 223 P C -2.401 174.319 177.300 -0.968 0.000 1.228 223 P CA -1.361 60.501 63.100 -2.064 0.000 0.786 223 P CB 0.960 31.530 31.700 -1.883 0.000 0.927 224 P HA 0.068 nan 4.420 nan 0.000 0.262 224 P C 0.797 177.892 177.300 -0.341 0.000 1.304 224 P CA 0.393 63.139 63.100 -0.589 0.000 0.859 224 P CB -0.234 31.408 31.700 -0.097 0.000 1.310 225 G N 0.246 108.819 108.800 -0.380 0.000 2.273 225 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.280 225 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.280 225 G C -0.569 174.399 174.900 0.112 0.000 1.047 225 G CA -0.049 45.040 45.100 -0.017 0.000 0.869 225 G HN 0.488 nan 8.290 nan 0.000 0.502 226 Y N -0.186 120.101 120.300 -0.021 0.000 2.342 226 Y HA 0.595 5.145 4.550 -0.000 0.000 0.338 226 Y C 0.225 176.227 175.900 0.170 0.000 0.965 226 Y CA -1.691 56.487 58.100 0.130 0.000 1.159 226 Y CB 1.049 39.666 38.460 0.262 0.000 1.157 226 Y HN 0.237 nan 8.280 nan 0.000 0.486 227 L N 6.327 127.387 121.223 -0.272 0.000 2.385 227 L HA 0.451 4.791 4.340 -0.000 0.000 0.281 227 L C -0.596 176.147 176.870 -0.213 0.000 1.106 227 L CA 0.466 55.198 54.840 -0.181 0.000 0.856 227 L CB 0.132 42.058 42.059 -0.221 0.000 1.186 227 L HN 0.602 nan 8.230 nan 0.000 0.453 228 S N 4.076 119.778 115.700 0.005 0.000 2.616 228 S HA 0.340 4.810 4.470 -0.000 0.000 0.276 228 S C 0.630 175.299 174.600 0.116 0.000 1.159 228 S CA -0.584 57.633 58.200 0.029 0.000 1.000 228 S CB 0.158 63.506 63.200 0.247 0.000 1.117 228 S HN 0.404 nan 8.310 nan 0.000 0.464 229 F N 2.767 122.725 119.950 0.013 0.000 2.134 229 F HA 0.016 4.543 4.527 -0.000 0.000 0.299 229 F C 2.435 178.208 175.800 -0.044 0.000 1.097 229 F CA 1.729 59.717 58.000 -0.020 0.000 1.264 229 F CB -0.629 38.345 39.000 -0.043 0.000 1.001 229 F HN 0.808 nan 8.300 nan 0.000 0.479 230 E N 0.514 120.803 120.200 0.148 0.000 2.031 230 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 230 E C 2.245 178.820 176.600 -0.041 0.000 0.994 230 E CA 1.313 57.730 56.400 0.027 0.000 0.800 230 E CB -0.285 29.414 29.700 -0.002 0.000 0.752 230 E HN 0.372 nan 8.360 nan 0.000 0.447 231 L N 0.395 121.584 121.223 -0.056 0.000 2.141 231 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 231 L C 2.742 179.389 176.870 -0.372 0.000 1.094 231 L CA 0.854 55.563 54.840 -0.218 0.000 0.763 231 L CB -0.385 41.557 42.059 -0.194 0.000 0.908 231 L HN 0.179 nan 8.230 nan 0.000 0.437 232 S N 0.067 115.670 115.700 -0.161 0.000 2.368 232 S HA -0.167 4.303 4.470 -0.000 0.000 0.225 232 S C 2.163 176.737 174.600 -0.044 0.000 1.030 232 S CA 1.202 59.360 58.200 -0.069 0.000 0.999 232 S CB -0.026 63.253 63.200 0.132 0.000 0.844 232 S HN 0.340 nan 8.310 nan 0.000 0.459 233 R N 0.506 120.983 120.500 -0.038 0.000 2.073 233 R HA -0.038 4.302 4.340 -0.000 0.000 0.234 233 R C 2.746 179.055 176.300 0.015 0.000 1.134 233 R CA 1.484 57.565 56.100 -0.031 0.000 0.952 233 R CB -0.413 29.841 30.300 -0.076 0.000 0.850 233 R HN 0.393 nan 8.270 nan 0.000 0.433 234 R N 0.852 121.326 120.500 -0.044 0.000 2.091 234 R HA -0.139 4.201 4.340 -0.000 0.000 0.238 234 R C 2.150 178.479 176.300 0.048 0.000 1.136 234 R CA 1.661 57.757 56.100 -0.007 0.000 0.959 234 R CB -0.263 29.990 30.300 -0.078 0.000 0.856 234 R HN 0.237 nan 8.270 nan 0.000 0.437 235 A N 0.856 123.641 122.820 -0.060 0.000 1.902 235 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 235 A C 2.140 179.759 177.584 0.059 0.000 1.181 235 A CA 1.406 53.450 52.037 0.013 0.000 0.623 235 A CB -0.313 18.648 19.000 -0.064 0.000 0.818 235 A HN 0.272 nan 8.150 nan 0.000 0.443 236 M N -2.148 117.514 119.600 0.103 0.000 2.156 236 M HA -0.040 4.440 4.480 -0.000 0.000 0.264 236 M C 2.108 178.541 176.300 0.222 0.000 1.067 236 M CA 1.136 56.554 55.300 0.197 0.000 1.131 236 M CB -1.526 31.313 32.600 0.397 0.000 1.368 236 M HN 0.600 nan 8.290 nan 0.000 0.416 237 Y N 2.075 122.446 120.300 0.119 0.000 2.097 237 Y HA -0.276 4.274 4.550 -0.000 0.000 0.282 237 Y C 2.160 178.091 175.900 0.052 0.000 1.152 237 Y CA 1.904 60.057 58.100 0.088 0.000 1.136 237 Y CB -0.447 38.048 38.460 0.058 0.000 0.975 237 Y HN 0.303 nan 8.280 nan 0.000 0.498 238 N N 0.317 119.083 118.700 0.110 0.000 2.120 238 N HA -0.203 4.537 4.740 -0.000 0.000 0.188 238 N C 1.965 177.469 175.510 -0.011 0.000 1.024 238 N CA 1.564 54.667 53.050 0.088 0.000 0.852 238 N CB -0.418 38.221 38.487 0.254 0.000 1.003 238 N HN 0.386 nan 8.380 nan 0.000 0.424 239 I N 1.001 121.469 120.570 -0.170 0.000 2.286 239 I HA -0.190 3.979 4.170 -0.000 0.000 0.248 239 I C 2.035 178.012 176.117 -0.234 0.000 1.115 239 I CA 0.766 61.787 61.300 -0.465 0.000 1.392 239 I CB -0.413 37.232 38.000 -0.592 0.000 1.065 239 I HN 0.073 nan 8.210 nan 0.000 0.418 240 I N 0.583 121.032 120.570 -0.201 0.000 2.127 240 I HA -0.361 3.809 4.170 -0.000 0.000 0.241 240 I C 2.669 178.649 176.117 -0.228 0.000 1.075 240 I CA 1.496 62.609 61.300 -0.311 0.000 1.334 240 I CB -0.294 37.443 38.000 -0.439 0.000 1.040 240 I HN 0.292 nan 8.210 nan 0.000 0.405 241 Q N 0.304 119.953 119.800 -0.252 0.000 2.124 241 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 241 Q C 2.412 178.399 176.000 -0.021 0.000 0.977 241 Q CA 1.656 57.361 55.803 -0.164 0.000 0.850 241 Q CB -0.350 28.286 28.738 -0.170 0.000 0.901 241 Q HN 0.603 nan 8.270 nan 0.000 0.429 242 A N 0.740 123.589 122.820 0.049 0.000 1.930 242 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 242 A C 1.812 179.531 177.584 0.225 0.000 1.175 242 A CA 1.799 53.968 52.037 0.220 0.000 0.627 242 A CB -0.720 18.482 19.000 0.336 0.000 0.815 242 A HN 0.488 nan 8.150 nan 0.000 0.443 243 H N 0.119 119.210 119.070 0.036 0.000 2.321 243 H HA 0.024 4.580 4.556 -0.000 0.000 0.300 243 H C 2.129 177.471 175.328 0.025 0.000 1.087 243 H CA 2.138 58.218 56.048 0.055 0.000 1.319 243 H CB -0.334 29.387 29.762 -0.069 0.000 1.379 243 H HN 0.353 nan 8.280 nan 0.000 0.501 244 A N 0.600 123.302 122.820 -0.197 0.000 1.902 244 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 244 A C 2.387 179.888 177.584 -0.138 0.000 1.181 244 A CA 1.722 53.621 52.037 -0.229 0.000 0.623 244 A CB -0.423 18.485 19.000 -0.152 0.000 0.818 244 A HN 0.311 nan 8.150 nan 0.000 0.443 245 R N -0.247 120.208 120.500 -0.075 0.000 2.092 245 R HA 0.077 4.417 4.340 -0.000 0.000 0.231 245 R C 2.308 178.541 176.300 -0.111 0.000 1.119 245 R CA 1.320 57.388 56.100 -0.054 0.000 0.970 245 R CB -1.244 29.055 30.300 -0.002 0.000 0.864 245 R HN 0.498 nan 8.270 nan 0.000 0.440 246 A N -0.728 122.013 122.820 -0.132 0.000 1.930 246 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 246 A C 2.071 179.510 177.584 -0.242 0.000 1.175 246 A CA 1.269 53.153 52.037 -0.254 0.000 0.627 246 A CB -0.774 18.074 19.000 -0.254 0.000 0.815 246 A HN 0.425 nan 8.150 nan 0.000 0.443 247 Y N 1.285 121.360 120.300 -0.375 0.000 2.097 247 Y HA -0.272 4.278 4.550 -0.000 0.000 0.282 247 Y C 1.936 177.700 175.900 -0.228 0.000 1.152 247 Y CA 2.285 60.189 58.100 -0.327 0.000 1.136 247 Y CB -0.221 37.996 38.460 -0.404 0.000 0.975 247 Y HN 0.356 nan 8.280 nan 0.000 0.498 248 D N -0.466 119.953 120.400 0.031 0.000 2.117 248 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 248 D C 2.381 178.600 176.300 -0.136 0.000 0.987 248 D CA 1.483 55.474 54.000 -0.016 0.000 0.829 248 D CB -0.989 39.813 40.800 0.003 0.000 0.961 248 D HN 0.540 nan 8.370 nan 0.000 0.460 249 G N 0.919 109.612 108.800 -0.177 0.000 2.446 249 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 249 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 249 G C 1.806 176.542 174.900 -0.273 0.000 1.168 249 G CA 0.541 45.506 45.100 -0.225 0.000 0.771 249 G HN 0.279 nan 8.290 nan 0.000 0.551 250 I N 0.269 120.626 120.570 -0.355 0.000 2.252 250 I HA -0.094 4.076 4.170 -0.000 0.000 0.245 250 I C 2.506 178.412 176.117 -0.351 0.000 1.102 250 I CA 0.889 61.923 61.300 -0.443 0.000 1.385 250 I CB -0.045 37.576 38.000 -0.633 0.000 1.064 250 I HN -0.031 nan 8.210 nan 0.000 0.414 251 K N 0.723 120.914 120.400 -0.349 0.000 2.362 251 K HA -0.071 4.249 4.320 -0.000 0.000 0.200 251 K C 2.112 178.623 176.600 -0.147 0.000 1.046 251 K CA 1.387 57.521 56.287 -0.255 0.000 0.952 251 K CB -0.491 31.841 32.500 -0.279 0.000 0.753 251 K HN 0.431 nan 8.250 nan 0.000 0.466 252 S N -0.668 114.945 115.700 -0.145 0.000 2.561 252 S HA -0.002 4.468 4.470 -0.000 0.000 0.225 252 S C 1.617 176.169 174.600 -0.079 0.000 0.977 252 S CA 0.400 58.539 58.200 -0.102 0.000 0.926 252 S CB 0.248 63.380 63.200 -0.114 0.000 0.769 252 S HN 0.002 nan 8.310 nan 0.000 0.533 253 V N -0.204 119.659 119.914 -0.085 0.000 3.426 253 V HA 0.434 4.554 4.120 -0.000 0.000 0.279 253 V C 0.186 176.279 176.094 -0.002 0.000 1.544 253 V CA 0.530 62.816 62.300 -0.023 0.000 1.017 253 V CB 0.978 32.785 31.823 -0.026 0.000 0.821 253 V HN 0.535 nan 8.190 nan 0.000 0.432 254 S N -0.964 114.711 115.700 -0.041 0.000 2.537 254 S HA 0.326 4.795 4.470 -0.000 0.000 0.270 254 S C 0.120 174.718 174.600 -0.003 0.000 1.142 254 S CA -0.272 57.932 58.200 0.007 0.000 0.870 254 S CB 2.279 65.511 63.200 0.053 0.000 1.112 254 S HN -0.106 nan 8.310 nan 0.000 0.466 255 K N 1.646 122.066 120.400 0.034 0.000 2.367 255 K HA 0.303 4.623 4.320 -0.000 0.000 0.194 255 K C 0.397 177.035 176.600 0.064 0.000 1.027 255 K CA 0.143 56.450 56.287 0.033 0.000 1.075 255 K CB -0.172 32.349 32.500 0.036 0.000 0.845 255 K HN 0.617 nan 8.250 nan 0.000 0.529 256 K N 1.584 122.047 120.400 0.106 0.000 2.219 256 K HA 0.174 4.494 4.320 -0.000 0.000 0.258 256 K C -2.668 174.050 176.600 0.198 0.000 1.008 256 K CA -1.958 54.412 56.287 0.139 0.000 0.928 256 K CB 0.214 32.784 32.500 0.116 0.000 0.983 256 K HN -0.050 nan 8.250 nan 0.000 0.484 257 P HA -0.007 nan 4.420 nan 0.000 0.268 257 P C -1.105 176.480 177.300 0.474 0.000 1.204 257 P CA -0.084 63.245 63.100 0.382 0.000 0.768 257 P CB 0.554 32.547 31.700 0.488 0.000 0.842 258 V N 3.614 123.737 119.914 0.349 0.000 2.409 258 V HA 0.709 4.829 4.120 -0.000 0.000 0.291 258 V C 0.779 176.905 176.094 0.053 0.000 1.020 258 V CA -0.127 62.305 62.300 0.219 0.000 0.848 258 V CB 1.397 33.134 31.823 -0.144 0.000 0.990 258 V HN 0.779 nan 8.190 nan 0.000 0.430 259 G N 3.598 112.157 108.800 -0.402 0.000 3.217 259 G HA2 0.873 4.833 3.960 -0.000 0.000 0.213 259 G HA3 0.873 4.833 3.960 -0.000 0.000 0.213 259 G C -1.271 173.277 174.900 -0.586 0.000 1.294 259 G CA -0.633 43.797 45.100 -1.118 0.000 0.987 259 G HN 0.615 nan 8.290 nan 0.000 0.584 260 I N -0.730 119.411 120.570 -0.714 0.000 2.841 260 I HA 0.488 4.658 4.170 -0.000 0.000 0.298 260 I C -1.520 174.460 176.117 -0.228 0.000 1.304 260 I CA -0.999 60.114 61.300 -0.312 0.000 1.019 260 I CB 2.456 40.283 38.000 -0.287 0.000 1.282 260 I HN 0.315 nan 8.210 nan 0.000 0.432 261 I N 6.307 126.846 120.570 -0.052 0.000 2.378 261 I HA 0.369 4.539 4.170 -0.000 0.000 0.291 261 I C -1.478 174.702 176.117 0.105 0.000 0.992 261 I CA -0.545 60.783 61.300 0.046 0.000 1.154 261 I CB 1.720 39.755 38.000 0.059 0.000 1.315 261 I HN 0.413 nan 8.210 nan 0.000 0.448 262 Y N 4.845 125.142 120.300 -0.005 0.000 2.512 262 Y HA 0.706 5.256 4.550 -0.000 0.000 0.348 262 Y C -0.283 175.620 175.900 0.004 0.000 0.990 262 Y CA -0.914 57.174 58.100 -0.020 0.000 1.033 262 Y CB 1.918 40.461 38.460 0.138 0.000 1.259 262 Y HN 0.583 nan 8.280 nan 0.000 0.461 263 A N 5.328 127.981 122.820 -0.278 0.000 2.354 263 A HA 0.427 4.747 4.320 -0.000 0.000 0.281 263 A C -0.855 176.725 177.584 -0.006 0.000 1.174 263 A CA -0.423 51.518 52.037 -0.161 0.000 0.828 263 A CB -0.160 18.687 19.000 -0.255 0.000 1.099 263 A HN 0.754 nan 8.150 nan 0.000 0.516 264 N N 1.277 120.033 118.700 0.093 0.000 2.269 264 N HA 0.461 5.201 4.740 -0.000 0.000 0.304 264 N C -0.964 174.568 175.510 0.037 0.000 1.072 264 N CA -0.350 52.801 53.050 0.169 0.000 0.802 264 N CB 2.099 40.770 38.487 0.306 0.000 1.348 264 N HN 0.485 nan 8.380 nan 0.000 0.484 265 S N -0.209 115.442 115.700 -0.082 0.000 2.578 265 S HA 0.363 4.833 4.470 -0.000 0.000 0.301 265 S C -0.297 174.158 174.600 -0.242 0.000 1.091 265 S CA -0.585 57.452 58.200 -0.272 0.000 1.032 265 S CB 1.373 64.161 63.200 -0.687 0.000 1.064 265 S HN 0.490 nan 8.310 nan 0.000 0.508 266 S N 2.450 118.148 115.700 -0.003 0.000 2.430 266 S HA 0.495 4.965 4.470 -0.000 0.000 0.289 266 S C -0.978 173.509 174.600 -0.188 0.000 1.143 266 S CA -0.526 57.693 58.200 0.032 0.000 1.067 266 S CB -0.495 62.887 63.200 0.304 0.000 0.964 266 S HN 0.421 nan 8.310 nan 0.000 0.485 267 F N 4.121 124.075 119.950 0.008 0.000 2.420 267 F HA 0.449 4.976 4.527 -0.000 0.000 0.352 267 F C 0.983 176.753 175.800 -0.049 0.000 1.108 267 F CA -0.247 57.719 58.000 -0.058 0.000 1.162 267 F CB 1.031 39.960 39.000 -0.117 0.000 1.118 267 F HN 0.395 nan 8.300 nan 0.000 0.510 268 Q N 4.936 124.759 119.800 0.038 0.000 2.347 268 Q HA 0.357 4.696 4.340 -0.000 0.000 0.271 268 Q C -2.737 173.231 176.000 -0.054 0.000 1.064 268 Q CA -2.239 53.550 55.803 -0.023 0.000 0.800 268 Q CB 2.551 31.198 28.738 -0.152 0.000 1.304 268 Q HN 0.266 nan 8.270 nan 0.000 0.438 269 P HA 0.056 nan 4.420 nan 0.000 0.281 269 P C 0.595 177.845 177.300 -0.084 0.000 1.252 269 P CA -0.390 62.686 63.100 -0.041 0.000 0.778 269 P CB 1.089 32.782 31.700 -0.011 0.000 0.895 270 L N 3.821 124.985 121.223 -0.098 0.000 1.989 270 L HA -0.056 4.284 4.340 -0.000 0.000 0.211 270 L C 1.073 177.909 176.870 -0.057 0.000 1.071 270 L CA 2.484 57.251 54.840 -0.122 0.000 0.749 270 L CB -0.955 41.052 42.059 -0.087 0.000 0.890 270 L HN 0.568 nan 8.230 nan 0.000 0.431 271 T N -4.312 110.228 114.554 -0.024 0.000 2.910 271 T HA 0.312 4.662 4.350 -0.000 0.000 0.287 271 T C 0.495 175.196 174.700 0.002 0.000 1.050 271 T CA -0.071 62.027 62.100 -0.003 0.000 1.011 271 T CB 1.122 69.995 68.868 0.007 0.000 1.195 271 T HN 0.314 nan 8.240 nan 0.000 0.540 272 D N -0.614 119.792 120.400 0.010 0.000 2.378 272 D HA -0.023 4.617 4.640 -0.000 0.000 0.227 272 D C 1.257 177.563 176.300 0.011 0.000 1.012 272 D CA 0.146 54.154 54.000 0.013 0.000 0.905 272 D CB -0.215 40.595 40.800 0.017 0.000 0.895 272 D HN 0.312 nan 8.370 nan 0.000 0.532 273 K N -0.026 120.379 120.400 0.009 0.000 2.444 273 K HA 0.060 4.380 4.320 -0.000 0.000 0.193 273 K C 0.375 176.980 176.600 0.007 0.000 1.024 273 K CA 0.292 56.584 56.287 0.009 0.000 1.077 273 K CB 0.022 32.529 32.500 0.010 0.000 0.833 273 K HN 0.356 nan 8.250 nan 0.000 0.517 274 D N -0.219 120.183 120.400 0.004 0.000 2.501 274 D HA 0.201 4.841 4.640 -0.000 0.000 0.224 274 D C 1.241 177.536 176.300 -0.008 0.000 1.202 274 D CA -0.042 53.958 54.000 0.000 0.000 0.829 274 D CB 0.442 41.240 40.800 -0.003 0.000 1.023 274 D HN 0.199 nan 8.370 nan 0.000 0.499 275 M N 0.067 119.665 119.600 -0.004 0.000 2.175 275 M HA -0.086 4.394 4.480 -0.000 0.000 0.264 275 M C 1.872 178.161 176.300 -0.019 0.000 1.063 275 M CA 1.161 56.459 55.300 -0.004 0.000 1.119 275 M CB -0.293 32.310 32.600 0.006 0.000 1.377 275 M HN 0.074 nan 8.290 nan 0.000 0.415 276 E N 0.380 120.569 120.200 -0.018 0.000 2.106 276 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 276 E C 2.054 178.616 176.600 -0.064 0.000 0.984 276 E CA 1.214 57.597 56.400 -0.028 0.000 0.806 276 E CB 0.059 29.752 29.700 -0.012 0.000 0.750 276 E HN 0.461 nan 8.360 nan 0.000 0.458 277 A N 0.787 123.572 122.820 -0.059 0.000 1.940 277 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 277 A C 2.457 179.873 177.584 -0.280 0.000 1.176 277 A CA 1.184 53.152 52.037 -0.115 0.000 0.631 277 A CB -0.633 18.359 19.000 -0.014 0.000 0.814 277 A HN 0.137 nan 8.150 nan 0.000 0.446 278 V N 0.007 119.822 119.914 -0.165 0.000 2.295 278 V HA -0.297 3.823 4.120 -0.000 0.000 0.246 278 V C 2.442 178.396 176.094 -0.233 0.000 1.049 278 V CA 2.448 64.653 62.300 -0.159 0.000 1.024 278 V CB -0.803 31.003 31.823 -0.028 0.000 0.648 278 V HN 0.674 nan 8.190 nan 0.000 0.447 279 E N -0.471 119.641 120.200 -0.146 0.000 2.051 279 E HA -0.225 4.125 4.350 -0.000 0.000 0.192 279 E C 2.239 178.740 176.600 -0.166 0.000 0.991 279 E CA 1.537 57.882 56.400 -0.093 0.000 0.799 279 E CB -0.250 29.438 29.700 -0.019 0.000 0.748 279 E HN 0.533 nan 8.360 nan 0.000 0.449 280 M N 0.550 120.011 119.600 -0.231 0.000 2.108 280 M HA -0.188 4.292 4.480 -0.000 0.000 0.261 280 M C 2.523 178.510 176.300 -0.521 0.000 1.066 280 M CA 1.578 56.722 55.300 -0.261 0.000 1.107 280 M CB -0.320 32.179 32.600 -0.169 0.000 1.356 280 M HN 0.145 nan 8.290 nan 0.000 0.406 281 A N 0.238 122.453 122.820 -1.009 0.000 1.902 281 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 281 A C 1.942 178.859 177.584 -1.111 0.000 1.181 281 A CA 1.862 53.121 52.037 -1.296 0.000 0.623 281 A CB -0.688 17.402 19.000 -1.516 0.000 0.818 281 A HN 0.546 nan 8.150 nan 0.000 0.443 282 E N -0.182 119.508 120.200 -0.850 0.000 2.072 282 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 282 E C 1.840 178.105 176.600 -0.559 0.000 0.985 282 E CA 1.001 56.956 56.400 -0.742 0.000 0.801 282 E CB -0.170 29.219 29.700 -0.519 0.000 0.750 282 E HN 0.539 nan 8.360 nan 0.000 0.452 283 N N 1.257 119.852 118.700 -0.174 0.000 2.043 283 N HA -0.157 4.583 4.740 -0.000 0.000 0.193 283 N C 1.317 176.926 175.510 0.165 0.000 1.037 283 N CA 1.383 54.509 53.050 0.128 0.000 0.851 283 N CB -0.344 38.219 38.487 0.126 0.000 1.027 283 N HN 0.143 nan 8.380 nan 0.000 0.422 284 D N 0.022 120.431 120.400 0.015 0.000 2.269 284 D HA 0.008 4.647 4.640 -0.000 0.000 0.208 284 D C 0.978 177.397 176.300 0.198 0.000 0.963 284 D CA 0.654 54.680 54.000 0.043 0.000 0.864 284 D CB -0.130 40.679 40.800 0.016 0.000 0.936 284 D HN 0.313 nan 8.370 nan 0.000 0.505 285 N N -0.485 118.296 118.700 0.135 0.000 2.227 285 N HA 0.099 4.839 4.740 -0.000 0.000 0.196 285 N C 1.375 177.093 175.510 0.348 0.000 1.142 285 N CA 0.060 53.266 53.050 0.261 0.000 0.887 285 N CB 1.786 40.373 38.487 0.166 0.000 1.022 285 N HN 0.134 nan 8.380 nan 0.000 0.500 286 R N -0.722 119.872 120.500 0.156 0.000 3.749 286 R HA 0.137 4.476 4.340 -0.000 0.000 0.142 286 R C 0.985 177.368 176.300 0.139 0.000 0.750 286 R CA -0.110 55.974 56.100 -0.027 0.000 1.004 286 R CB -0.283 29.674 30.300 -0.571 0.000 1.509 286 R HN -0.015 nan 8.270 nan 0.000 0.494 287 W N 1.811 123.220 121.300 0.181 0.000 2.381 287 W HA -0.172 4.488 4.660 -0.000 0.000 0.301 287 W C 2.096 178.731 176.519 0.193 0.000 1.205 287 W CA 0.385 57.849 57.345 0.198 0.000 1.285 287 W CB -0.365 29.161 29.460 0.110 0.000 1.133 287 W HN 0.398 nan 8.180 nan 0.000 0.521 288 W N 0.588 122.095 121.300 0.346 0.000 2.325 288 W HA -0.282 4.378 4.660 -0.000 0.000 0.299 288 W C 1.786 178.412 176.519 0.179 0.000 1.215 288 W CA 1.130 58.603 57.345 0.215 0.000 1.244 288 W CB -1.873 27.678 29.460 0.151 0.000 1.140 288 W HN 0.040 nan 8.180 nan 0.000 0.523 289 F N 0.760 119.970 119.950 -1.233 0.000 2.128 289 F HA -0.036 4.491 4.527 -0.000 0.000 0.295 289 F C 2.283 177.583 175.800 -0.833 0.000 1.100 289 F CA 1.850 58.979 58.000 -1.451 0.000 1.260 289 F CB -1.026 37.100 39.000 -1.456 0.000 1.009 289 F HN -0.278 nan 8.300 nan 0.000 0.476 290 F N 0.965 120.779 119.950 -0.226 0.000 2.186 290 F HA -0.151 4.376 4.527 -0.000 0.000 0.299 290 F C 2.202 177.819 175.800 -0.306 0.000 1.090 290 F CA 1.455 59.292 58.000 -0.271 0.000 1.307 290 F CB -0.781 38.148 39.000 -0.119 0.000 1.019 290 F HN -0.045 nan 8.300 nan 0.000 0.489 291 D N 0.142 120.598 120.400 0.093 0.000 2.182 291 D HA -0.162 4.478 4.640 -0.000 0.000 0.201 291 D C 2.307 178.556 176.300 -0.086 0.000 0.986 291 D CA 1.297 55.342 54.000 0.074 0.000 0.847 291 D CB -0.544 40.352 40.800 0.159 0.000 0.942 291 D HN 0.239 nan 8.370 nan 0.000 0.467 292 A N 1.032 123.722 122.820 -0.217 0.000 1.858 292 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 292 A C 2.254 179.633 177.584 -0.342 0.000 1.190 292 A CA 1.579 53.447 52.037 -0.281 0.000 0.617 292 A CB -0.767 17.991 19.000 -0.403 0.000 0.827 292 A HN 0.407 nan 8.150 nan 0.000 0.443 293 I N -3.916 116.351 120.570 -0.505 0.000 3.419 293 I HA 0.177 4.347 4.170 -0.000 0.000 0.286 293 I C 1.730 177.652 176.117 -0.325 0.000 1.268 293 I CA 0.720 61.757 61.300 -0.439 0.000 1.414 293 I CB -0.027 37.610 38.000 -0.605 0.000 1.074 293 I HN 0.200 nan 8.210 nan 0.000 0.457 294 I N 0.729 121.125 120.570 -0.290 0.000 2.947 294 I HA 0.095 4.264 4.170 -0.000 0.000 0.263 294 I C 2.259 178.295 176.117 -0.136 0.000 1.130 294 I CA 0.471 61.636 61.300 -0.224 0.000 1.448 294 I CB 0.071 37.891 38.000 -0.299 0.000 1.222 294 I HN -0.008 nan 8.210 nan 0.000 0.453 295 R N 0.498 120.939 120.500 -0.098 0.000 2.334 295 R HA 0.263 4.603 4.340 -0.000 0.000 0.212 295 R C 1.220 177.484 176.300 -0.060 0.000 0.897 295 R CA 0.601 56.672 56.100 -0.048 0.000 1.056 295 R CB 0.704 31.007 30.300 0.004 0.000 1.046 295 R HN 0.385 nan 8.270 nan 0.000 0.513 296 G N 1.642 110.385 108.800 -0.095 0.000 2.155 296 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.257 296 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.257 296 G C -0.352 174.522 174.900 -0.045 0.000 0.983 296 G CA 0.161 45.211 45.100 -0.083 0.000 0.676 296 G HN 0.397 nan 8.290 nan 0.000 0.528 297 E N -0.319 119.865 120.200 -0.026 0.000 2.223 297 E HA 0.682 5.032 4.350 -0.000 0.000 0.282 297 E C 0.177 176.805 176.600 0.047 0.000 1.046 297 E CA -0.153 56.257 56.400 0.016 0.000 0.857 297 E CB 1.604 31.324 29.700 0.033 0.000 1.055 297 E HN 0.470 nan 8.360 nan 0.000 0.409 298 I N 1.408 122.023 120.570 0.075 0.000 3.279 298 I HA 0.362 4.532 4.170 -0.000 0.000 0.315 298 I C -0.847 175.343 176.117 0.122 0.000 1.225 298 I CA -0.342 61.039 61.300 0.136 0.000 0.947 298 I CB 2.618 40.709 38.000 0.152 0.000 1.293 298 I HN 0.430 nan 8.210 nan 0.000 0.468 304 K N 1.592 121.993 120.400 0.001 0.000 2.231 304 K HA 0.728 5.048 4.320 -0.000 0.000 0.275 304 K C 0.253 176.863 176.600 0.017 0.000 1.105 304 K CA 0.142 56.439 56.287 0.016 0.000 0.931 304 K CB -0.913 nan 32.500 nan 0.000 1.296 304 K HN 1.370 nan 8.250 nan 0.000 0.446 305 I N -1.941 118.644 120.570 0.025 0.000 3.100 305 I HA 0.780 4.950 4.170 -0.000 0.000 0.312 305 I C -0.272 175.858 176.117 0.021 0.000 1.063 305 I CA -1.363 59.949 61.300 0.021 0.000 1.031 305 I CB 2.315 40.329 38.000 0.022 0.000 1.243 305 I HN 0.112 nan 8.210 nan 0.000 0.483 306 V N 2.308 122.228 119.914 0.011 0.000 2.384 306 V HA 0.480 4.600 4.120 -0.000 0.000 0.287 306 V C -0.077 176.016 176.094 -0.001 0.000 1.020 306 V CA -0.488 61.813 62.300 0.002 0.000 0.850 306 V CB 1.118 32.938 31.823 -0.005 0.000 0.987 306 V HN 0.608 nan 8.190 nan 0.000 0.436 307 R N 2.772 123.268 120.500 -0.008 0.000 2.229 307 R HA 0.318 4.658 4.340 -0.000 0.000 0.332 307 R C 0.196 176.478 176.300 -0.031 0.000 0.989 307 R CA -0.573 55.520 56.100 -0.012 0.000 0.842 307 R CB 1.173 31.469 30.300 -0.007 0.000 1.119 307 R HN 0.684 nan 8.270 nan 0.000 0.456 308 D N 1.705 122.090 120.400 -0.024 0.000 2.264 308 D HA -0.170 4.470 4.640 -0.000 0.000 0.208 308 D C 1.058 177.333 176.300 -0.041 0.000 0.966 308 D CA 1.242 55.224 54.000 -0.031 0.000 0.864 308 D CB 0.252 41.040 40.800 -0.019 0.000 0.933 308 D HN 0.664 nan 8.370 nan 0.000 0.499 309 D N 0.232 120.609 120.400 -0.038 0.000 2.347 309 D HA -0.096 4.544 4.640 -0.000 0.000 0.215 309 D C 1.949 178.199 176.300 -0.084 0.000 0.976 309 D CA 0.238 54.210 54.000 -0.047 0.000 0.884 309 D CB -0.043 40.740 40.800 -0.028 0.000 0.915 309 D HN 0.264 nan 8.370 nan 0.000 0.526 310 L N -0.198 120.966 121.223 -0.099 0.000 2.357 310 L HA 0.109 4.449 4.340 -0.000 0.000 0.211 310 L C 1.444 178.213 176.870 -0.169 0.000 1.075 310 L CA -0.165 54.587 54.840 -0.146 0.000 0.830 310 L CB -0.077 41.893 42.059 -0.148 0.000 0.996 310 L HN -0.136 nan 8.230 nan 0.000 0.467 311 K N 0.859 121.181 120.400 -0.129 0.000 2.484 311 K HA 0.104 4.424 4.320 -0.000 0.000 0.280 311 K C 0.962 177.467 176.600 -0.159 0.000 1.013 311 K CA 0.938 57.150 56.287 -0.125 0.000 1.029 311 K CB 0.350 32.802 32.500 -0.079 0.000 0.902 311 K HN 0.255 nan 8.250 nan 0.000 0.481 312 G N 3.413 112.109 108.800 -0.174 0.000 2.153 312 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.252 312 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.252 312 G C 0.064 174.744 174.900 -0.366 0.000 0.994 312 G CA 0.258 45.247 45.100 -0.186 0.000 0.698 312 G HN 0.605 nan 8.290 nan 0.000 0.521 313 R N -0.634 119.555 120.500 -0.519 0.000 4.680 313 R HA 0.692 5.032 4.340 -0.000 0.000 0.222 313 R C -0.265 175.511 176.300 -0.874 0.000 1.803 313 R CA -0.123 55.304 56.100 -1.121 0.000 1.560 313 R CB -0.128 29.716 30.300 -0.759 0.000 1.412 313 R HN 0.437 nan 8.270 nan 0.000 0.815 314 L N -0.563 120.354 121.223 -0.511 0.000 2.705 314 L HA 0.271 4.611 4.340 -0.000 0.000 0.260 314 L C -0.696 176.214 176.870 0.067 0.000 0.921 314 L CA 0.008 54.804 54.840 -0.075 0.000 0.948 314 L CB 2.147 44.129 42.059 -0.129 0.000 1.427 314 L HN 0.118 nan 8.230 nan 0.000 0.432 315 D N 3.085 123.592 120.400 0.179 0.000 2.380 315 D HA 0.157 4.797 4.640 -0.000 0.000 0.212 315 D C -0.470 175.903 176.300 0.122 0.000 1.021 315 D CA 0.882 55.021 54.000 0.232 0.000 0.884 315 D CB 0.522 41.563 40.800 0.400 0.000 1.001 315 D HN 0.488 nan 8.370 nan 0.000 0.506 316 W N 0.247 121.456 121.300 -0.151 0.000 3.066 316 W HA 0.552 5.212 4.660 -0.000 0.000 0.330 316 W C -2.057 174.361 176.519 -0.168 0.000 1.253 316 W CA -0.978 56.126 57.345 -0.401 0.000 1.187 316 W CB 0.302 29.258 29.460 -0.840 0.000 1.434 316 W HN -0.403 nan 8.180 nan 0.000 0.572 317 I N 2.244 122.849 120.570 0.060 0.000 2.389 317 I HA 0.440 4.610 4.170 -0.000 0.000 0.288 317 I C 0.703 176.917 176.117 0.162 0.000 0.999 317 I CA -0.702 60.533 61.300 -0.109 0.000 1.129 317 I CB 1.895 39.639 38.000 -0.426 0.000 1.288 317 I HN 0.602 nan 8.210 nan 0.000 0.444 318 G N 6.058 114.929 108.800 0.117 0.000 2.338 318 G HA2 0.458 4.418 3.960 -0.000 0.000 0.295 318 G HA3 0.458 4.418 3.960 -0.000 0.000 0.295 318 G C -0.448 174.524 174.900 0.120 0.000 1.132 318 G CA -0.240 45.053 45.100 0.322 0.000 0.922 318 G HN 0.359 nan 8.290 nan 0.000 0.427 319 V N 4.269 124.254 119.914 0.117 0.000 2.348 319 V HA 0.189 4.309 4.120 -0.000 0.000 0.270 319 V C -0.356 175.814 176.094 0.126 0.000 1.037 319 V CA -1.006 61.350 62.300 0.093 0.000 0.872 319 V CB 0.781 32.659 31.823 0.093 0.000 1.002 319 V HN 0.614 nan 8.190 nan 0.000 0.464 320 N N 3.945 122.708 118.700 0.104 0.000 2.430 320 N HA 0.554 5.294 4.740 -0.000 0.000 0.292 320 N C -1.082 174.436 175.510 0.013 0.000 1.051 320 N CA -0.332 52.714 53.050 -0.008 0.000 0.917 320 N CB 1.559 40.002 38.487 -0.073 0.000 1.164 320 N HN 0.706 nan 8.380 nan 0.000 0.484 321 Y N 1.625 121.748 120.300 -0.295 0.000 2.442 321 Y HA 0.310 4.860 4.550 -0.000 0.000 0.330 321 Y C -1.066 174.583 175.900 -0.417 0.000 1.100 321 Y CA -0.570 57.402 58.100 -0.213 0.000 1.034 321 Y CB 0.686 39.154 38.460 0.014 0.000 1.285 321 Y HN 0.548 nan 8.280 nan 0.000 0.440 322 Y N 2.043 121.867 120.300 -0.792 0.000 2.701 322 Y HA 0.411 4.961 4.550 -0.000 0.000 0.275 322 Y C 0.992 176.568 175.900 -0.541 0.000 1.133 322 Y CA 0.745 58.593 58.100 -0.420 0.000 1.241 322 Y CB 1.110 39.443 38.460 -0.211 0.000 1.389 322 Y HN 0.629 nan 8.280 nan 0.000 0.486 323 T N -0.417 113.675 114.554 -0.770 0.000 2.658 323 T HA 0.380 4.730 4.350 -0.000 0.000 0.305 323 T C -1.609 173.029 174.700 -0.104 0.000 1.551 323 T CA -0.989 61.021 62.100 -0.151 0.000 0.985 323 T CB 1.068 69.978 68.868 0.069 0.000 1.731 323 T HN 0.152 nan 8.240 nan 0.000 0.486 324 R N 0.402 120.912 120.500 0.016 0.000 2.608 324 R HA 0.790 5.130 4.340 -0.000 0.000 0.255 324 R C -1.160 174.980 176.300 -0.267 0.000 1.086 324 R CA -0.495 55.523 56.100 -0.136 0.000 1.125 324 R CB 0.819 30.820 30.300 -0.498 0.000 1.193 324 R HN 0.558 nan 8.270 nan 0.000 0.553 325 T N 0.996 115.334 114.554 -0.360 0.000 2.879 325 T HA 0.288 4.638 4.350 -0.000 0.000 0.290 325 T C -0.758 173.825 174.700 -0.196 0.000 0.993 325 T CA -0.617 61.307 62.100 -0.294 0.000 0.975 325 T CB 1.726 70.382 68.868 -0.353 0.000 0.981 325 T HN 0.360 nan 8.240 nan 0.000 0.439 326 V N 4.635 124.436 119.914 -0.189 0.000 2.432 326 V HA 0.566 4.686 4.120 -0.000 0.000 0.275 326 V C 0.350 176.400 176.094 -0.073 0.000 1.043 326 V CA -0.502 61.654 62.300 -0.240 0.000 0.925 326 V CB 1.100 32.556 31.823 -0.610 0.000 0.985 326 V HN 0.771 nan 8.190 nan 0.000 0.466 327 V N 2.998 122.901 119.914 -0.018 0.000 2.864 327 V HA 0.864 4.984 4.120 -0.000 0.000 0.314 327 V C -0.632 175.482 176.094 0.032 0.000 1.073 327 V CA -1.037 61.304 62.300 0.069 0.000 0.956 327 V CB 1.875 33.768 31.823 0.116 0.000 1.023 327 V HN 0.955 nan 8.190 nan 0.000 0.435 328 K N 1.504 121.949 120.400 0.075 0.000 2.385 328 K HA 0.770 5.090 4.320 -0.000 0.000 0.248 328 K C -0.604 176.050 176.600 0.089 0.000 0.955 328 K CA -1.075 55.244 56.287 0.054 0.000 0.816 328 K CB 2.245 34.766 32.500 0.035 0.000 1.250 328 K HN 0.631 nan 8.250 nan 0.000 0.434 329 R N 0.937 121.473 120.500 0.061 0.000 2.537 329 R HA 0.186 4.526 4.340 -0.000 0.000 0.280 329 R C -0.831 175.500 176.300 0.051 0.000 1.058 329 R CA 0.622 56.761 56.100 0.065 0.000 1.057 329 R CB 0.618 30.941 30.300 0.038 0.000 0.973 329 R HN 0.791 nan 8.270 nan 0.000 0.438 330 T N 2.733 117.316 114.554 0.048 0.000 2.926 330 T HA 0.394 4.744 4.350 -0.000 0.000 0.289 330 T C 1.038 175.745 174.700 0.012 0.000 1.054 330 T CA 0.002 62.113 62.100 0.019 0.000 1.015 330 T CB 1.639 70.504 68.868 -0.004 0.000 1.167 330 T HN 0.649 nan 8.240 nan 0.000 0.526 331 E N 0.759 120.960 120.200 0.002 0.000 2.038 331 E HA -0.104 4.246 4.350 -0.000 0.000 0.195 331 E C 2.172 178.768 176.600 -0.007 0.000 1.000 331 E CA 2.139 58.538 56.400 -0.001 0.000 0.803 331 E CB -1.228 nan 29.700 nan 0.000 0.750 331 E HN 0.705 nan 8.360 nan 0.000 0.448 332 K N -0.221 120.168 120.400 -0.019 0.000 2.486 332 K HA 0.482 4.802 4.320 -0.000 0.000 0.194 332 K C 1.652 178.230 176.600 -0.037 0.000 1.033 332 K CA 1.539 57.807 56.287 -0.032 0.000 1.004 332 K CB -0.195 nan 32.500 nan 0.000 0.798 332 K HN 1.198 nan 8.250 nan 0.000 0.495 333 G N -1.483 107.307 108.800 -0.016 0.000 2.060 333 G HA2 0.294 4.254 3.960 -0.000 0.000 0.060 333 G HA3 0.294 4.254 3.960 -0.000 0.000 0.060 333 G C -0.860 174.100 174.900 0.101 0.000 0.724 333 G CA 0.249 45.363 45.100 0.024 0.000 1.129 333 G HN 1.131 nan 8.290 nan 0.000 0.374 334 Y N -0.314 119.960 120.300 -0.043 0.000 2.581 334 Y HA 0.774 5.324 4.550 -0.000 0.000 0.337 334 Y C -0.672 175.211 175.900 -0.028 0.000 1.108 334 Y CA -0.993 57.085 58.100 -0.036 0.000 1.033 334 Y CB 1.593 40.024 38.460 -0.049 0.000 1.318 334 Y HN 1.257 nan 8.280 nan 0.000 0.459 335 V N -0.609 119.348 119.914 0.071 0.000 2.962 335 V HA 0.773 4.893 4.120 -0.000 0.000 0.313 335 V C -0.434 175.754 176.094 0.156 0.000 1.099 335 V CA -0.936 61.370 62.300 0.011 0.000 0.971 335 V CB 1.464 33.277 31.823 -0.018 0.000 1.028 335 V HN 0.928 nan 8.190 nan 0.000 0.430 336 S N 2.959 118.738 115.700 0.132 0.000 2.584 336 S HA 0.723 5.193 4.470 -0.000 0.000 0.273 336 S C -0.352 174.293 174.600 0.074 0.000 1.311 336 S CA -0.363 57.912 58.200 0.125 0.000 1.034 336 S CB 0.829 64.100 63.200 0.118 0.000 0.939 336 S HN 0.613 nan 8.310 nan 0.000 0.513 337 L N 2.133 123.402 121.223 0.076 0.000 2.307 337 L HA 0.533 4.873 4.340 -0.000 0.000 0.284 337 L C 0.997 177.954 176.870 0.144 0.000 1.023 337 L CA -0.403 54.513 54.840 0.127 0.000 0.810 337 L CB 1.033 43.206 42.059 0.190 0.000 1.231 337 L HN 0.757 nan 8.230 nan 0.000 0.423 338 G N 0.514 109.367 108.800 0.089 0.000 2.594 338 G HA2 0.416 4.376 3.960 -0.000 0.000 0.243 338 G HA3 0.416 4.376 3.960 -0.000 0.000 0.243 338 G C 0.858 175.756 174.900 -0.003 0.000 1.229 338 G CA 0.365 45.489 45.100 0.039 0.000 0.843 338 G HN 1.046 nan 8.290 nan 0.000 0.578 339 G N -0.894 107.855 108.800 -0.085 0.000 2.175 339 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.244 339 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.244 339 G C 0.049 174.653 174.900 -0.495 0.000 0.982 339 G CA 0.763 45.695 45.100 -0.280 0.000 0.641 339 G HN 0.851 nan 8.290 nan 0.000 0.527 340 Y N -0.914 119.368 120.300 -0.031 0.000 2.634 340 Y HA 0.594 5.144 4.550 -0.000 0.000 0.340 340 Y C 1.400 177.242 175.900 -0.096 0.000 1.058 340 Y CA 0.057 58.125 58.100 -0.052 0.000 1.081 340 Y CB 0.981 39.385 38.460 -0.095 0.000 1.295 340 Y HN 1.109 nan 8.280 nan 0.000 0.487 341 G N 1.063 109.920 108.800 0.096 0.000 2.651 341 G HA2 -0.444 3.516 3.960 -0.000 0.000 0.315 341 G HA3 -0.444 3.516 3.960 -0.000 0.000 0.315 341 G C 0.638 175.540 174.900 0.003 0.000 1.258 341 G CA 1.286 46.371 45.100 -0.025 0.000 1.002 341 G HN 1.257 nan 8.290 nan 0.000 0.551 342 H N 0.295 119.302 119.070 -0.105 0.000 2.539 342 H HA 0.462 5.017 4.556 -0.000 0.000 0.267 342 H C 1.803 177.177 175.328 0.077 0.000 0.982 342 H CA 1.102 57.060 56.048 -0.151 0.000 1.146 342 H CB -0.272 29.113 29.762 -0.629 0.000 1.382 342 H HN 0.794 nan 8.280 nan 0.000 0.577 343 G N 0.457 109.206 108.800 -0.083 0.000 3.949 343 G HA2 0.299 4.259 3.960 -0.000 0.000 0.295 343 G HA3 0.299 4.259 3.960 -0.000 0.000 0.295 343 G C -0.513 174.424 174.900 0.062 0.000 1.286 343 G CA -0.275 44.835 45.100 0.017 0.000 1.171 343 G HN 0.391 nan 8.290 nan 0.000 0.586 344 C N -0.440 118.937 119.300 0.128 0.000 2.423 344 C HA 0.522 4.982 4.460 -0.000 0.000 0.378 344 C C 0.554 175.615 174.990 0.119 0.000 1.244 344 C CA -1.015 58.062 59.018 0.099 0.000 1.978 344 C CB 1.681 29.490 27.740 0.114 0.000 2.252 344 C HN 0.529 nan 8.230 nan 0.000 0.526 345 E N 0.655 120.905 120.200 0.084 0.000 2.373 345 E HA 0.144 4.494 4.350 -0.000 0.000 0.267 345 E C -0.229 176.429 176.600 0.097 0.000 1.032 345 E CA 0.075 56.525 56.400 0.083 0.000 0.889 345 E CB 0.503 30.239 29.700 0.059 0.000 0.984 345 E HN 0.405 nan 8.360 nan 0.000 0.425 346 R N 2.212 122.764 120.500 0.086 0.000 2.537 346 R HA 0.013 4.353 4.340 -0.000 0.000 0.280 346 R C -0.160 176.172 176.300 0.054 0.000 1.058 346 R CA 0.060 56.200 56.100 0.065 0.000 1.057 346 R CB -0.115 30.207 30.300 0.037 0.000 0.973 346 R HN 0.637 nan 8.270 nan 0.000 0.438 347 N N 0.184 118.917 118.700 0.056 0.000 2.696 347 N HA -0.238 4.502 4.740 -0.000 0.000 0.256 347 N C -0.814 174.736 175.510 0.066 0.000 1.031 347 N CA 1.052 54.137 53.050 0.059 0.000 0.730 347 N CB -0.426 38.083 38.487 0.037 0.000 0.894 347 N HN 0.604 nan 8.380 nan 0.000 0.544 348 S N -1.391 114.364 115.700 0.092 0.000 3.287 348 S HA 0.807 5.277 4.470 -0.000 0.000 0.324 348 S C -1.384 173.291 174.600 0.126 0.000 1.205 348 S CA -0.070 58.192 58.200 0.104 0.000 1.020 348 S CB 0.955 64.205 63.200 0.084 0.000 1.398 348 S HN 0.575 nan 8.310 nan 0.000 0.679 349 V N 1.350 121.329 119.914 0.108 0.000 2.823 349 V HA 0.898 5.018 4.120 -0.000 0.000 0.312 349 V C 0.113 176.236 176.094 0.048 0.000 1.072 349 V CA -0.305 62.047 62.300 0.086 0.000 0.937 349 V CB 1.091 32.943 31.823 0.047 0.000 1.013 349 V HN 1.059 nan 8.190 nan 0.000 0.430 350 S N 2.907 118.636 115.700 0.048 0.000 2.634 350 S HA 0.398 4.868 4.470 -0.000 0.000 0.261 350 S C 1.037 175.566 174.600 -0.118 0.000 1.271 350 S CA -0.403 57.776 58.200 -0.035 0.000 0.985 350 S CB 0.490 63.705 63.200 0.025 0.000 0.968 350 S HN 0.817 nan 8.310 nan 0.000 0.568 351 L N 0.252 121.276 121.223 -0.333 0.000 2.261 351 L HA -0.087 4.253 4.340 -0.000 0.000 0.216 351 L C 2.566 179.383 176.870 -0.088 0.000 1.114 351 L CA 1.396 56.044 54.840 -0.319 0.000 0.777 351 L CB -0.860 40.825 42.059 -0.622 0.000 0.910 351 L HN 0.907 nan 8.230 nan 0.000 0.440 352 A N -0.576 122.262 122.820 0.030 0.000 2.278 352 A HA 0.364 4.684 4.320 -0.000 0.000 0.212 352 A C 1.699 179.347 177.584 0.107 0.000 1.213 352 A CA 0.602 52.738 52.037 0.166 0.000 0.840 352 A CB -0.292 18.883 19.000 0.291 0.000 0.866 352 A HN 0.490 nan 8.150 nan 0.000 0.489 353 G N -1.134 107.698 108.800 0.054 0.000 2.143 353 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.249 353 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.249 353 G C -0.006 174.931 174.900 0.062 0.000 0.981 353 G CA 0.389 45.508 45.100 0.032 0.000 0.665 353 G HN 0.448 nan 8.290 nan 0.000 0.528 354 L N 1.732 123.027 121.223 0.120 0.000 2.325 354 L HA 0.498 4.838 4.340 -0.000 0.000 0.279 354 L C -1.606 175.367 176.870 0.172 0.000 1.054 354 L CA -2.467 52.477 54.840 0.173 0.000 0.804 354 L CB 1.538 43.778 42.059 0.302 0.000 1.200 354 L HN -0.089 nan 8.230 nan 0.000 0.436 355 P HA 0.100 nan 4.420 nan 0.000 0.271 355 P C -0.687 176.764 177.300 0.252 0.000 1.218 355 P CA -0.280 62.910 63.100 0.151 0.000 0.780 355 P CB 0.846 32.583 31.700 0.060 0.000 0.901 356 T N -1.246 113.436 114.554 0.213 0.000 2.940 356 T HA 0.540 4.890 4.350 -0.000 0.000 0.288 356 T C 0.526 175.341 174.700 0.192 0.000 1.033 356 T CA -0.622 61.622 62.100 0.240 0.000 1.033 356 T CB 0.802 69.790 68.868 0.200 0.000 1.079 356 T HN 0.450 nan 8.240 nan 0.000 0.496 357 S N 0.759 116.563 115.700 0.173 0.000 2.652 357 S HA 0.228 4.698 4.470 -0.000 0.000 0.267 357 S C 0.512 175.092 174.600 -0.034 0.000 1.201 357 S CA -0.407 57.822 58.200 0.048 0.000 0.996 357 S CB 0.030 63.203 63.200 -0.045 0.000 1.054 357 S HN 0.679 nan 8.310 nan 0.000 0.561 358 D N -0.248 120.068 120.400 -0.139 0.000 2.263 358 D HA -0.001 4.639 4.640 -0.000 0.000 0.208 358 D C 0.863 177.045 176.300 -0.195 0.000 0.971 358 D CA 0.952 54.847 54.000 -0.175 0.000 0.867 358 D CB -0.324 40.319 40.800 -0.262 0.000 0.929 358 D HN 0.497 nan 8.370 nan 0.000 0.492 359 F N -0.085 119.599 119.950 -0.443 0.000 2.727 359 F HA 0.297 4.824 4.527 -0.000 0.000 0.302 359 F C 1.613 177.202 175.800 -0.351 0.000 1.097 359 F CA 0.052 57.707 58.000 -0.575 0.000 1.330 359 F CB 0.234 38.441 39.000 -1.323 0.000 1.084 359 F HN 0.038 nan 8.300 nan 0.000 0.578 360 G N -0.212 108.623 108.800 0.058 0.000 2.160 360 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.244 360 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.244 360 G C -0.367 174.777 174.900 0.407 0.000 1.022 360 G CA -0.138 45.085 45.100 0.205 0.000 0.741 360 G HN 0.135 nan 8.290 nan 0.000 0.508 361 W N 0.794 122.186 121.300 0.153 0.000 2.433 361 W HA 0.636 5.296 4.660 -0.000 0.000 0.315 361 W C 0.458 177.110 176.519 0.222 0.000 1.087 361 W CA -2.243 55.192 57.345 0.151 0.000 1.205 361 W CB 0.633 30.155 29.460 0.104 0.000 1.288 361 W HN 0.316 nan 8.180 nan 0.000 0.504 362 E N 2.371 122.832 120.200 0.435 0.000 2.360 362 E HA 0.054 4.404 4.350 -0.000 0.000 0.269 362 E C -0.852 176.072 176.600 0.541 0.000 1.022 362 E CA -0.529 56.118 56.400 0.411 0.000 0.887 362 E CB 0.576 30.457 29.700 0.302 0.000 0.990 362 E HN 0.267 nan 8.360 nan 0.000 0.426 363 F N 5.865 126.073 119.950 0.431 0.000 2.494 363 F HA 0.182 4.709 4.527 -0.000 0.000 0.369 363 F C -0.846 175.258 175.800 0.507 0.000 1.098 363 F CA 0.146 58.442 58.000 0.494 0.000 1.154 363 F CB 0.096 39.325 39.000 0.382 0.000 1.103 363 F HN 0.434 nan 8.300 nan 0.000 0.549 364 F N 9.783 129.772 119.950 0.064 0.000 2.883 364 F HA 0.333 4.860 4.527 -0.000 0.000 0.383 364 F C -2.104 173.715 175.800 0.030 0.000 1.342 364 F CA -1.730 56.341 58.000 0.118 0.000 1.150 364 F CB 0.457 39.592 39.000 0.226 0.000 2.189 364 F HN 0.234 nan 8.300 nan 0.000 0.593 365 P HA -0.155 nan 4.420 nan 0.000 0.220 365 P C 0.881 177.868 177.300 -0.521 0.000 1.148 365 P CA 1.405 64.021 63.100 -0.808 0.000 0.803 365 P CB 0.383 31.424 31.700 -1.099 0.000 0.782 366 E N 0.350 120.177 120.200 -0.622 0.000 2.160 366 E HA -0.124 4.226 4.350 -0.000 0.000 0.195 366 E C 2.413 178.833 176.600 -0.301 0.000 0.991 366 E CA 1.512 57.617 56.400 -0.491 0.000 0.810 366 E CB -1.370 27.943 29.700 -0.645 0.000 0.742 366 E HN 0.288 nan 8.360 nan 0.000 0.466 367 G N 1.075 109.727 108.800 -0.246 0.000 2.475 367 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.220 367 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.220 367 G C 1.483 176.121 174.900 -0.437 0.000 1.125 367 G CA 0.896 46.042 45.100 0.077 0.000 0.755 367 G HN 0.208 nan 8.290 nan 0.000 0.565 368 L N -0.667 120.100 121.223 -0.760 0.000 2.093 368 L HA 0.075 4.415 4.340 -0.000 0.000 0.208 368 L C 2.459 179.199 176.870 -0.217 0.000 1.085 368 L CA 1.591 56.012 54.840 -0.698 0.000 0.755 368 L CB -0.787 41.030 42.059 -0.402 0.000 0.904 368 L HN 0.357 nan 8.230 nan 0.000 0.435 369 Y N 0.335 120.495 120.300 -0.232 0.000 2.145 369 Y HA -0.284 4.266 4.550 -0.000 0.000 0.286 369 Y C 2.390 178.244 175.900 -0.077 0.000 1.145 369 Y CA 2.101 60.117 58.100 -0.140 0.000 1.148 369 Y CB -0.454 37.912 38.460 -0.157 0.000 0.981 369 Y HN 0.479 nan 8.280 nan 0.000 0.507 370 D N -0.411 119.997 120.400 0.014 0.000 2.106 370 D HA -0.209 4.431 4.640 -0.000 0.000 0.191 370 D C 2.064 178.322 176.300 -0.070 0.000 0.997 370 D CA 2.216 56.211 54.000 -0.008 0.000 0.834 370 D CB -0.391 40.472 40.800 0.106 0.000 0.956 370 D HN 0.255 nan 8.370 nan 0.000 0.448 371 V N 0.264 120.144 119.914 -0.056 0.000 2.323 371 V HA -0.168 3.952 4.120 -0.000 0.000 0.244 371 V C 2.700 178.859 176.094 0.107 0.000 1.041 371 V CA 1.255 63.567 62.300 0.020 0.000 1.025 371 V CB -0.531 31.338 31.823 0.076 0.000 0.656 371 V HN 0.308 nan 8.190 nan 0.000 0.451 372 L N 0.600 121.844 121.223 0.034 0.000 2.012 372 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 372 L C 2.773 179.667 176.870 0.039 0.000 1.073 372 L CA 2.292 57.171 54.840 0.065 0.000 0.748 372 L CB -1.065 40.981 42.059 -0.020 0.000 0.891 372 L HN 0.594 nan 8.230 nan 0.000 0.431 373 T N -3.551 110.907 114.554 -0.161 0.000 2.942 373 T HA -0.130 4.220 4.350 -0.000 0.000 0.265 373 T C 1.861 176.562 174.700 0.002 0.000 1.062 373 T CA 0.644 62.658 62.100 -0.143 0.000 1.139 373 T CB -0.107 68.488 68.868 -0.455 0.000 0.883 373 T HN 0.164 nan 8.240 nan 0.000 0.468 374 K N -0.020 120.386 120.400 0.011 0.000 2.057 374 K HA -0.031 4.289 4.320 -0.000 0.000 0.207 374 K C 2.065 178.736 176.600 0.118 0.000 1.049 374 K CA 1.404 57.739 56.287 0.079 0.000 0.931 374 K CB -0.364 32.235 32.500 0.165 0.000 0.714 374 K HN 0.337 nan 8.250 nan 0.000 0.440 375 Y N -0.168 120.243 120.300 0.184 0.000 2.181 375 Y HA -0.279 4.271 4.550 -0.000 0.000 0.288 375 Y C 2.155 178.060 175.900 0.008 0.000 1.146 375 Y CA 1.395 59.593 58.100 0.164 0.000 1.164 375 Y CB -0.366 38.173 38.460 0.133 0.000 0.982 375 Y HN 0.319 nan 8.280 nan 0.000 0.515 376 W N 1.310 122.611 121.300 0.001 0.000 2.358 376 W HA -0.245 4.415 4.660 -0.000 0.000 0.303 376 W C 1.279 177.486 176.519 -0.519 0.000 1.208 376 W CA 2.019 59.252 57.345 -0.188 0.000 1.274 376 W CB -0.542 28.832 29.460 -0.144 0.000 1.138 376 W HN 0.189 nan 8.180 nan 0.000 0.515 377 N N -0.069 118.383 118.700 -0.413 0.000 2.381 377 N HA -0.157 4.583 4.740 -0.000 0.000 0.182 377 N C 1.970 177.123 175.510 -0.594 0.000 1.025 377 N CA 0.704 53.436 53.050 -0.530 0.000 0.888 377 N CB -0.222 38.144 38.487 -0.202 0.000 0.965 377 N HN 0.156 nan 8.380 nan 0.000 0.438 378 R N -0.445 119.652 120.500 -0.670 0.000 2.105 378 R HA 0.019 4.359 4.340 -0.000 0.000 0.214 378 R C 0.757 176.595 176.300 -0.770 0.000 1.091 378 R CA 1.019 56.582 56.100 -0.895 0.000 1.007 378 R CB 0.249 29.630 30.300 -1.531 0.000 0.912 378 R HN 0.239 nan 8.270 nan 0.000 0.450 379 Y N -1.842 118.264 120.300 -0.325 0.000 2.467 379 Y HA 0.232 4.782 4.550 -0.000 0.000 0.259 379 Y C -0.173 175.611 175.900 -0.194 0.000 1.084 379 Y CA -0.211 57.781 58.100 -0.181 0.000 1.275 379 Y CB 0.245 38.655 38.460 -0.083 0.000 1.208 379 Y HN 0.132 nan 8.280 nan 0.000 0.511 380 H N -0.427 118.400 119.070 -0.405 0.000 2.820 380 H HA -0.155 4.401 4.556 -0.000 0.000 0.295 380 H C -0.670 174.521 175.328 -0.229 0.000 1.187 380 H CA 0.462 56.004 56.048 -0.844 0.000 1.144 380 H CB -2.048 27.238 29.762 -0.793 0.000 1.354 380 H HN 0.182 nan 8.280 nan 0.000 0.395 381 L N 0.965 122.265 121.223 0.129 0.000 2.325 381 L HA 0.304 4.644 4.340 -0.000 0.000 0.279 381 L C 1.028 178.166 176.870 0.447 0.000 1.054 381 L CA -1.285 53.708 54.840 0.255 0.000 0.804 381 L CB 0.553 42.675 42.059 0.106 0.000 1.200 381 L HN 0.242 nan 8.230 nan 0.000 0.436 382 Y N 1.400 121.929 120.300 0.381 0.000 2.426 382 Y HA 0.514 5.064 4.550 -0.000 0.000 0.344 382 Y C -0.360 175.642 175.900 0.170 0.000 1.256 382 Y CA -0.874 57.367 58.100 0.235 0.000 1.451 382 Y CB 0.461 38.968 38.460 0.079 0.000 1.342 382 Y HN 0.427 nan 8.280 nan 0.000 0.600 383 M N 2.658 122.330 119.600 0.121 0.000 2.572 383 M HA 0.429 4.909 4.480 -0.000 0.000 0.299 383 M C -1.725 174.510 176.300 -0.108 0.000 1.205 383 M CA -0.664 54.672 55.300 0.059 0.000 0.876 383 M CB 2.368 35.005 32.600 0.062 0.000 1.728 383 M HN 0.686 nan 8.290 nan 0.000 0.458 384 Y N -0.075 120.306 120.300 0.136 0.000 2.487 384 Y HA 0.541 5.091 4.550 -0.000 0.000 0.337 384 Y C -0.196 175.764 175.900 0.099 0.000 1.076 384 Y CA -0.926 57.198 58.100 0.040 0.000 1.115 384 Y CB 1.625 40.043 38.460 -0.071 0.000 1.235 384 Y HN 0.269 nan 8.280 nan 0.000 0.468 385 V N 2.526 122.596 119.914 0.260 0.000 2.372 385 V HA 0.059 4.179 4.120 -0.000 0.000 0.261 385 V C 0.573 176.741 176.094 0.124 0.000 1.055 385 V CA 0.251 62.673 62.300 0.204 0.000 0.930 385 V CB 0.238 32.228 31.823 0.279 0.000 1.031 385 V HN 1.064 nan 8.190 nan 0.000 0.479 386 T N 0.863 115.501 114.554 0.140 0.000 3.044 386 T HA 0.191 4.541 4.350 -0.000 0.000 0.250 386 T C 0.421 175.178 174.700 0.096 0.000 1.081 386 T CA 0.050 62.224 62.100 0.124 0.000 1.040 386 T CB 0.457 69.444 68.868 0.198 0.000 0.962 386 T HN 0.639 nan 8.240 nan 0.000 0.506 387 E N 0.782 121.002 120.200 0.034 0.000 2.347 387 E HA 0.350 4.700 4.350 -0.000 0.000 0.285 387 E C -1.983 174.530 176.600 -0.145 0.000 0.925 387 E CA -0.708 55.699 56.400 0.012 0.000 0.779 387 E CB 1.494 31.172 29.700 -0.035 0.000 1.233 387 E HN 0.234 nan 8.360 nan 0.000 0.414 388 N N 3.125 121.771 118.700 -0.090 0.000 2.666 388 N HA 0.483 5.223 4.740 -0.000 0.000 0.260 388 N C -1.313 174.248 175.510 0.085 0.000 1.077 388 N CA 0.103 53.131 53.050 -0.036 0.000 1.026 388 N CB 1.887 40.483 38.487 0.181 0.000 1.653 388 N HN 0.712 nan 8.380 nan 0.000 0.533 389 G N 1.738 110.786 108.800 0.414 0.000 2.321 389 G HA2 0.429 4.389 3.960 -0.000 0.000 0.296 389 G HA3 0.429 4.389 3.960 -0.000 0.000 0.296 389 G C -2.075 172.952 174.900 0.210 0.000 1.287 389 G CA -0.598 44.655 45.100 0.255 0.000 0.846 389 G HN 0.573 nan 8.290 nan 0.000 0.508 390 I N -0.301 120.332 120.570 0.106 0.000 2.752 390 I HA 0.669 4.839 4.170 -0.000 0.000 0.295 390 I C -0.102 175.632 176.117 -0.638 0.000 1.219 390 I CA -1.151 59.971 61.300 -0.296 0.000 1.030 390 I CB 2.006 39.675 38.000 -0.551 0.000 1.259 390 I HN 1.052 nan 8.210 nan 0.000 0.423 391 A N 4.597 126.726 122.820 -1.150 0.000 2.410 391 A HA 0.458 4.778 4.320 -0.000 0.000 0.292 391 A C -0.650 176.620 177.584 -0.524 0.000 1.232 391 A CA 0.263 51.584 52.037 -1.195 0.000 0.893 391 A CB -0.203 18.089 19.000 -1.179 0.000 1.131 391 A HN 0.607 nan 8.150 nan 0.000 0.530 392 D N 2.194 122.377 120.400 -0.363 0.000 2.474 392 D HA 0.092 4.732 4.640 -0.000 0.000 0.234 392 D C 0.153 176.342 176.300 -0.186 0.000 1.323 392 D CA -0.342 53.534 54.000 -0.207 0.000 0.915 392 D CB 0.759 41.496 40.800 -0.105 0.000 1.487 392 D HN 0.401 nan 8.370 nan 0.000 0.524 393 D N 2.007 122.288 120.400 -0.198 0.000 2.144 393 D HA -0.049 4.591 4.640 -0.000 0.000 0.200 393 D C 1.747 177.913 176.300 -0.224 0.000 0.978 393 D CA 1.423 55.319 54.000 -0.174 0.000 0.833 393 D CB 0.319 41.030 40.800 -0.148 0.000 0.961 393 D HN 0.382 nan 8.370 nan 0.000 0.470 394 A N -0.220 122.389 122.820 -0.353 0.000 2.119 394 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 394 A C 1.051 178.332 177.584 -0.504 0.000 1.153 394 A CA 1.316 52.995 52.037 -0.596 0.000 0.692 394 A CB -0.225 18.036 19.000 -1.230 0.000 0.799 394 A HN 0.284 nan 8.150 nan 0.000 0.458 395 D N -4.341 115.890 120.400 -0.281 0.000 3.076 395 D HA -0.211 4.429 4.640 -0.000 0.000 0.218 395 D C 0.319 176.667 176.300 0.079 0.000 1.156 395 D CA 1.136 55.092 54.000 -0.074 0.000 0.921 395 D CB -1.608 39.179 40.800 -0.021 0.000 1.113 395 D HN 0.500 nan 8.370 nan 0.000 0.418 396 Y N 0.053 120.407 120.300 0.090 0.000 2.145 396 Y HA -0.063 4.487 4.550 -0.000 0.000 0.286 396 Y C 2.586 178.620 175.900 0.223 0.000 1.145 396 Y CA 1.706 59.883 58.100 0.128 0.000 1.148 396 Y CB -0.594 37.914 38.460 0.081 0.000 0.981 396 Y HN 0.321 nan 8.280 nan 0.000 0.507 397 Q N -0.881 119.144 119.800 0.375 0.000 2.373 397 Q HA 0.016 4.356 4.340 -0.000 0.000 0.210 397 Q C 2.271 178.574 176.000 0.506 0.000 0.913 397 Q CA 0.043 56.099 55.803 0.422 0.000 0.911 397 Q CB 0.055 29.001 28.738 0.347 0.000 1.040 397 Q HN 0.353 nan 8.270 nan 0.000 0.521 398 R N 1.218 121.929 120.500 0.352 0.000 2.096 398 R HA -0.150 4.190 4.340 -0.000 0.000 0.240 398 R C -0.852 175.650 176.300 0.337 0.000 1.139 398 R CA 1.645 57.950 56.100 0.341 0.000 0.952 398 R CB -0.785 29.633 30.300 0.196 0.000 0.854 398 R HN 0.128 nan 8.270 nan 0.000 0.436 399 P HA -0.170 nan 4.420 nan 0.000 0.216 399 P C 0.527 177.876 177.300 0.081 0.000 1.153 399 P CA 1.530 64.666 63.100 0.061 0.000 0.858 399 P CB -0.143 31.501 31.700 -0.094 0.000 0.789 400 Y N -2.947 117.495 120.300 0.237 0.000 2.200 400 Y HA -0.185 4.365 4.550 -0.000 0.000 0.290 400 Y C 2.601 178.807 175.900 0.509 0.000 1.137 400 Y CA 1.196 59.463 58.100 0.278 0.000 1.163 400 Y CB -1.353 37.228 38.460 0.202 0.000 0.988 400 Y HN -0.065 nan 8.280 nan 0.000 0.518 401 Y N 0.213 120.940 120.300 0.711 0.000 2.145 401 Y HA -0.277 4.273 4.550 -0.000 0.000 0.286 401 Y C 2.388 178.634 175.900 0.576 0.000 1.145 401 Y CA 1.369 59.902 58.100 0.722 0.000 1.148 401 Y CB -0.656 38.163 38.460 0.599 0.000 0.981 401 Y HN 0.142 nan 8.280 nan 0.000 0.507 402 L N -0.556 121.028 121.223 0.601 0.000 1.970 402 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 402 L C 2.270 179.278 176.870 0.229 0.000 1.071 402 L CA 2.021 57.086 54.840 0.374 0.000 0.751 402 L CB -1.131 40.998 42.059 0.118 0.000 0.889 402 L HN 0.131 nan 8.230 nan 0.000 0.432 403 V N -0.765 119.254 119.914 0.175 0.000 2.343 403 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 403 V C 2.577 178.754 176.094 0.138 0.000 1.051 403 V CA 1.828 64.196 62.300 0.114 0.000 1.036 403 V CB -0.713 31.134 31.823 0.040 0.000 0.654 403 V HN 0.527 nan 8.190 nan 0.000 0.451 404 S N -0.876 114.924 115.700 0.167 0.000 2.368 404 S HA -0.227 4.243 4.470 -0.000 0.000 0.225 404 S C 1.868 176.447 174.600 -0.036 0.000 1.030 404 S CA 1.785 60.028 58.200 0.071 0.000 0.999 404 S CB -0.373 62.871 63.200 0.075 0.000 0.844 404 S HN 0.732 nan 8.310 nan 0.000 0.459 405 H N 0.120 119.192 119.070 0.003 0.000 2.428 405 H HA 0.119 4.675 4.556 -0.000 0.000 0.296 405 H C 2.046 177.408 175.328 0.057 0.000 1.062 405 H CA 1.057 57.119 56.048 0.023 0.000 1.350 405 H CB -0.258 29.558 29.762 0.090 0.000 1.403 405 H HN 0.131 nan 8.280 nan 0.000 0.533 406 V N 0.399 120.367 119.914 0.090 0.000 2.427 406 V HA -0.272 3.847 4.120 -0.000 0.000 0.248 406 V C 2.009 178.256 176.094 0.254 0.000 1.051 406 V CA 1.744 64.064 62.300 0.034 0.000 1.048 406 V CB -0.602 31.200 31.823 -0.036 0.000 0.666 406 V HN 0.470 nan 8.190 nan 0.000 0.456 407 Y N 1.277 121.600 120.300 0.038 0.000 2.128 407 Y HA -0.262 4.288 4.550 -0.000 0.000 0.284 407 Y C 2.650 178.500 175.900 -0.082 0.000 1.154 407 Y CA 1.839 59.872 58.100 -0.112 0.000 1.149 407 Y CB -0.280 38.026 38.460 -0.257 0.000 0.976 407 Y HN 0.230 nan 8.280 nan 0.000 0.505 408 Q N -0.148 119.539 119.800 -0.188 0.000 2.124 408 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 408 Q C 2.520 178.470 176.000 -0.084 0.000 0.977 408 Q CA 1.701 57.359 55.803 -0.241 0.000 0.850 408 Q CB -0.880 27.787 28.738 -0.119 0.000 0.901 408 Q HN 0.509 nan 8.270 nan 0.000 0.429 409 V N 0.985 120.940 119.914 0.068 0.000 2.287 409 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 409 V C 2.433 178.557 176.094 0.050 0.000 1.053 409 V CA 1.989 64.391 62.300 0.170 0.000 1.027 409 V CB -0.895 31.152 31.823 0.374 0.000 0.646 409 V HN 0.472 nan 8.190 nan 0.000 0.447 410 H N 0.519 119.501 119.070 -0.146 0.000 2.319 410 H HA -0.176 4.380 4.556 -0.000 0.000 0.297 410 H C 2.631 177.701 175.328 -0.431 0.000 1.097 410 H CA 2.095 57.818 56.048 -0.543 0.000 1.285 410 H CB 0.018 29.348 29.762 -0.721 0.000 1.368 410 H HN 0.247 nan 8.280 nan 0.000 0.495 411 R N 0.037 120.319 120.500 -0.363 0.000 2.091 411 R HA -0.111 4.229 4.340 -0.000 0.000 0.238 411 R C 2.475 178.768 176.300 -0.012 0.000 1.136 411 R CA 1.087 57.007 56.100 -0.300 0.000 0.959 411 R CB -0.393 29.612 30.300 -0.492 0.000 0.856 411 R HN 0.371 nan 8.270 nan 0.000 0.437 412 A N 0.959 123.812 122.820 0.056 0.000 1.898 412 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 412 A C 2.178 179.673 177.584 -0.148 0.000 1.181 412 A CA 1.098 53.133 52.037 -0.003 0.000 0.620 412 A CB -0.427 18.528 19.000 -0.075 0.000 0.819 412 A HN 0.210 nan 8.150 nan 0.000 0.442 413 I N 0.042 120.483 120.570 -0.215 0.000 2.179 413 I HA -0.287 3.883 4.170 -0.000 0.000 0.242 413 I C 2.501 178.448 176.117 -0.284 0.000 1.088 413 I CA 1.579 62.707 61.300 -0.287 0.000 1.357 413 I CB -0.496 37.301 38.000 -0.337 0.000 1.051 413 I HN 0.508 nan 8.210 nan 0.000 0.409 414 N N 0.919 119.432 118.700 -0.312 0.000 2.205 414 N HA -0.199 4.541 4.740 -0.000 0.000 0.186 414 N C 1.777 177.221 175.510 -0.110 0.000 1.015 414 N CA 1.797 54.712 53.050 -0.226 0.000 0.862 414 N CB 0.093 38.452 38.487 -0.213 0.000 0.986 414 N HN 0.397 nan 8.380 nan 0.000 0.429 415 S N -1.498 114.163 115.700 -0.065 0.000 2.603 415 S HA 0.267 4.737 4.470 -0.000 0.000 0.220 415 S C 1.319 175.892 174.600 -0.045 0.000 0.967 415 S CA 0.680 58.879 58.200 -0.001 0.000 0.920 415 S CB 0.488 63.753 63.200 0.109 0.000 0.773 415 S HN 0.504 nan 8.310 nan 0.000 0.529 416 G N 0.502 109.214 108.800 -0.147 0.000 2.284 416 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.201 416 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.201 416 G C 0.261 174.804 174.900 -0.595 0.000 0.998 416 G CA -0.274 44.712 45.100 -0.190 0.000 0.651 416 G HN 1.203 nan 8.290 nan 0.000 0.489 417 A N 0.636 122.990 122.820 -0.776 0.000 2.520 417 A HA 0.467 4.787 4.320 -0.000 0.000 0.245 417 A C 0.184 177.164 177.584 -1.006 0.000 1.072 417 A CA 0.778 52.021 52.037 -1.324 0.000 0.761 417 A CB 0.295 18.932 19.000 -0.604 0.000 1.004 417 A HN 0.326 nan 8.150 nan 0.000 0.499 418 D N 2.597 122.203 120.400 -1.325 0.000 2.422 418 D HA 0.379 5.019 4.640 -0.000 0.000 0.227 418 D C -0.799 175.362 176.300 -0.232 0.000 1.190 418 D CA 0.241 53.892 54.000 -0.583 0.000 0.905 418 D CB 0.227 40.796 40.800 -0.385 0.000 1.034 418 D HN 0.118 nan 8.370 nan 0.000 0.507 419 V N 5.319 125.145 119.914 -0.148 0.000 2.487 419 V HA 0.409 4.529 4.120 -0.000 0.000 0.298 419 V C 1.212 177.308 176.094 0.003 0.000 1.028 419 V CA -0.685 61.597 62.300 -0.029 0.000 0.860 419 V CB 1.916 33.800 31.823 0.102 0.000 0.991 419 V HN 0.410 nan 8.190 nan 0.000 0.427 420 R N 2.312 122.608 120.500 -0.340 0.000 2.437 420 R HA 0.503 4.843 4.340 -0.000 0.000 0.257 420 R C 0.605 176.378 176.300 -0.879 0.000 0.927 420 R CA 0.352 56.132 56.100 -0.533 0.000 1.078 420 R CB 1.424 31.277 30.300 -0.745 0.000 1.161 420 R HN 0.869 nan 8.270 nan 0.000 0.529 421 G N -0.300 107.946 108.800 -0.924 0.000 2.523 421 G HA2 0.257 4.217 3.960 -0.000 0.000 0.291 421 G HA3 0.257 4.217 3.960 -0.000 0.000 0.291 421 G C -2.405 172.247 174.900 -0.413 0.000 1.450 421 G CA -0.558 43.876 45.100 -1.110 0.000 0.790 421 G HN 0.053 nan 8.290 nan 0.000 0.496 422 Y N 0.405 120.470 120.300 -0.392 0.000 2.346 422 Y HA 0.740 5.290 4.550 -0.000 0.000 0.332 422 Y C -1.640 174.419 175.900 0.266 0.000 0.985 422 Y CA -1.141 57.036 58.100 0.129 0.000 1.112 422 Y CB 1.726 40.403 38.460 0.362 0.000 1.170 422 Y HN 0.424 nan 8.280 nan 0.000 0.447 423 L N 6.862 127.955 121.223 -0.216 0.000 2.342 423 L HA 0.338 4.678 4.340 -0.000 0.000 0.276 423 L C -0.614 176.185 176.870 -0.119 0.000 0.997 423 L CA -0.634 54.198 54.840 -0.013 0.000 0.838 423 L CB 1.081 43.148 42.059 0.013 0.000 1.224 423 L HN 0.709 nan 8.230 nan 0.000 0.416 424 H N 2.848 121.916 119.070 -0.004 0.000 2.652 424 H HA 0.106 4.662 4.556 -0.000 0.000 0.349 424 H C -1.055 174.414 175.328 0.235 0.000 1.099 424 H CA 0.154 56.223 56.048 0.036 0.000 1.417 424 H CB 0.807 30.604 29.762 0.058 0.000 1.457 424 H HN 0.594 nan 8.280 nan 0.000 0.568 425 W N 6.598 127.732 121.300 -0.276 0.000 2.311 425 W HA 0.409 5.069 4.660 -0.000 0.000 0.317 425 W C -1.038 175.487 176.519 0.011 0.000 1.065 425 W CA -0.270 57.047 57.345 -0.045 0.000 1.364 425 W CB 0.984 30.442 29.460 -0.003 0.000 1.233 425 W HN 0.520 nan 8.180 nan 0.000 0.409 426 S N 3.671 119.268 115.700 -0.173 0.000 2.732 426 S HA 0.313 4.783 4.470 -0.000 0.000 0.293 426 S C 0.365 174.911 174.600 -0.089 0.000 1.159 426 S CA -0.670 57.320 58.200 -0.349 0.000 0.847 426 S CB 1.264 63.856 63.200 -1.014 0.000 1.169 426 S HN 0.474 nan 8.310 nan 0.000 0.501 427 L N 2.156 123.244 121.223 -0.225 0.000 2.017 427 L HA 0.368 4.708 4.340 -0.000 0.000 0.208 427 L C 0.645 177.280 176.870 -0.392 0.000 1.073 427 L CA 2.422 56.966 54.840 -0.493 0.000 0.745 427 L CB -0.783 40.538 42.059 -1.231 0.000 0.894 427 L HN 0.728 nan 8.230 nan 0.000 0.432 428 A N -1.740 120.892 122.820 -0.313 0.000 2.479 428 A HA 0.528 4.848 4.320 -0.000 0.000 0.296 428 A C -1.004 176.515 177.584 -0.108 0.000 1.121 428 A CA -0.844 51.031 52.037 -0.270 0.000 0.743 428 A CB 0.461 19.199 19.000 -0.436 0.000 1.323 428 A HN 0.159 nan 8.150 nan 0.000 0.415 429 D N 0.865 121.233 120.400 -0.054 0.000 2.443 429 D HA 0.321 4.961 4.640 -0.000 0.000 0.234 429 D C 0.060 176.494 176.300 0.223 0.000 1.172 429 D CA 1.200 55.260 54.000 0.100 0.000 0.878 429 D CB 0.358 41.211 40.800 0.088 0.000 1.204 429 D HN 0.708 nan 8.370 nan 0.000 0.453 430 N N -1.103 117.803 118.700 0.342 0.000 3.277 430 N HA 0.164 4.904 4.740 -0.000 0.000 0.278 430 N C -1.657 174.060 175.510 0.345 0.000 1.544 430 N CA -0.924 52.348 53.050 0.371 0.000 0.869 430 N CB 0.309 38.894 38.487 0.163 0.000 1.584 430 N HN 0.278 nan 8.380 nan 0.000 0.564 431 Y N 0.452 120.738 120.300 -0.023 0.000 2.584 431 Y HA 0.274 4.824 4.550 -0.000 0.000 0.351 431 Y C 0.143 175.751 175.900 -0.487 0.000 1.030 431 Y CA -0.317 57.484 58.100 -0.499 0.000 1.332 431 Y CB 0.497 38.542 38.460 -0.693 0.000 1.148 431 Y HN 0.696 nan 8.280 nan 0.000 0.528 432 E N 6.801 126.651 120.200 -0.583 0.000 2.110 432 E HA 0.161 4.511 4.350 -0.000 0.000 0.300 432 E C -0.550 175.854 176.600 -0.326 0.000 1.278 432 E CA 0.060 56.264 56.400 -0.327 0.000 1.365 432 E CB -0.603 29.124 29.700 0.045 0.000 1.283 432 E HN 0.739 nan 8.360 nan 0.000 0.490 433 W N 0.937 121.996 121.300 -0.402 0.000 1.922 433 W HA -0.470 4.190 4.660 -0.000 0.000 0.275 433 W C 1.826 178.282 176.519 -0.105 0.000 1.129 433 W CA 0.805 57.982 57.345 -0.280 0.000 1.077 433 W CB -1.653 27.717 29.460 -0.150 0.000 0.883 433 W HN 0.326 nan 8.180 nan 0.000 0.546 434 A N -0.364 122.811 122.820 0.591 0.000 2.070 434 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 434 A C 1.769 179.479 177.584 0.209 0.000 1.159 434 A CA 2.345 54.672 52.037 0.483 0.000 0.656 434 A CB -0.918 18.462 19.000 0.634 0.000 0.800 434 A HN 0.444 nan 8.150 nan 0.000 0.453 435 S N -1.372 114.411 115.700 0.139 0.000 2.461 435 S HA 0.368 4.838 4.470 -0.000 0.000 0.228 435 S C 1.355 175.822 174.600 -0.222 0.000 1.005 435 S CA 0.813 59.002 58.200 -0.020 0.000 0.942 435 S CB -0.358 62.814 63.200 -0.047 0.000 0.776 435 S HN 1.552 nan 8.310 nan 0.000 0.514 436 G N 1.210 109.710 108.800 -0.500 0.000 2.542 436 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.235 436 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.235 436 G C 0.164 174.660 174.900 -0.673 0.000 1.286 436 G CA -0.004 44.648 45.100 -0.747 0.000 0.904 436 G HN 0.294 nan 8.290 nan 0.000 0.577 437 F N 2.094 121.927 119.950 -0.194 0.000 2.710 437 F HA 0.159 4.686 4.527 -0.000 0.000 0.298 437 F C 2.910 178.661 175.800 -0.081 0.000 1.137 437 F CA 1.433 59.338 58.000 -0.158 0.000 1.444 437 F CB 0.027 38.824 39.000 -0.339 0.000 1.111 437 F HN 0.525 nan 8.300 nan 0.000 0.580 438 S N -0.507 115.200 115.700 0.012 0.000 2.447 438 S HA -0.086 4.384 4.470 -0.000 0.000 0.233 438 S C 1.077 175.599 174.600 -0.131 0.000 1.006 438 S CA 0.608 58.782 58.200 -0.043 0.000 0.957 438 S CB -0.359 62.787 63.200 -0.091 0.000 0.773 438 S HN 0.065 nan 8.310 nan 0.000 0.507 439 M N 2.709 122.191 119.600 -0.196 0.000 2.094 439 M HA 0.377 4.857 4.480 -0.000 0.000 0.348 439 M C -0.340 175.929 176.300 -0.051 0.000 1.267 439 M CA 0.320 55.443 55.300 -0.296 0.000 1.125 439 M CB 0.313 32.591 32.600 -0.536 0.000 1.527 439 M HN 0.202 nan 8.290 nan 0.000 0.447 440 R N 2.391 122.805 120.500 -0.144 0.000 2.239 440 R HA 0.347 4.687 4.340 -0.000 0.000 0.332 440 R C -0.202 176.054 176.300 -0.074 0.000 0.988 440 R CA -0.143 55.955 56.100 -0.003 0.000 0.859 440 R CB 0.784 31.071 30.300 -0.021 0.000 1.148 440 R HN 0.509 nan 8.270 nan 0.000 0.482 441 F N 0.307 120.294 119.950 0.062 0.000 2.695 441 F HA 0.227 4.754 4.527 -0.000 0.000 0.303 441 F C 1.666 177.491 175.800 0.043 0.000 1.091 441 F CA -0.367 57.693 58.000 0.100 0.000 1.300 441 F CB 0.773 39.942 39.000 0.282 0.000 1.071 441 F HN 0.554 nan 8.300 nan 0.000 0.578 442 G N 0.430 109.309 108.800 0.131 0.000 2.441 442 G HA2 0.233 4.193 3.960 -0.000 0.000 0.243 442 G HA3 0.233 4.193 3.960 -0.000 0.000 0.243 442 G C 0.921 175.819 174.900 -0.003 0.000 1.281 442 G CA -0.392 44.715 45.100 0.011 0.000 0.854 442 G HN 0.273 nan 8.290 nan 0.000 0.560 443 L N 0.887 122.081 121.223 -0.048 0.000 2.201 443 L HA 0.091 4.431 4.340 -0.000 0.000 0.212 443 L C 0.888 177.624 176.870 -0.224 0.000 1.105 443 L CA 0.764 55.526 54.840 -0.130 0.000 0.775 443 L CB -0.357 41.590 42.059 -0.187 0.000 0.913 443 L HN 0.306 nan 8.230 nan 0.000 0.440 444 L N -0.033 121.025 121.223 -0.276 0.000 2.322 444 L HA 0.344 4.684 4.340 -0.000 0.000 0.281 444 L C -0.010 176.753 176.870 -0.177 0.000 1.014 444 L CA -0.514 54.154 54.840 -0.287 0.000 0.815 444 L CB 1.665 43.458 42.059 -0.444 0.000 1.247 444 L HN -0.084 nan 8.230 nan 0.000 0.421 445 K N 2.167 122.514 120.400 -0.088 0.000 2.249 445 K HA 0.471 4.791 4.320 -0.000 0.000 0.280 445 K C -1.076 175.472 176.600 -0.087 0.000 1.033 445 K CA -0.482 55.761 56.287 -0.074 0.000 0.946 445 K CB 1.369 33.837 32.500 -0.053 0.000 1.005 445 K HN 0.375 nan 8.250 nan 0.000 0.469 446 V N 4.093 123.870 119.914 -0.228 0.000 2.398 446 V HA 0.070 4.190 4.120 -0.000 0.000 0.286 446 V C -0.400 175.436 176.094 -0.431 0.000 1.026 446 V CA -0.799 61.261 62.300 -0.400 0.000 0.868 446 V CB 1.385 32.757 31.823 -0.752 0.000 0.982 446 V HN 0.818 nan 8.190 nan 0.000 0.443 447 D N 3.566 123.843 120.400 -0.205 0.000 2.339 447 D HA 0.153 4.793 4.640 -0.000 0.000 0.241 447 D C 0.376 176.552 176.300 -0.207 0.000 1.183 447 D CA -0.077 53.842 54.000 -0.134 0.000 0.859 447 D CB 0.905 41.748 40.800 0.072 0.000 1.067 447 D HN 0.480 nan 8.370 nan 0.000 0.484 448 Y N 2.651 122.894 120.300 -0.095 0.000 2.509 448 Y HA -0.061 4.489 4.550 -0.000 0.000 0.293 448 Y C 2.020 177.850 175.900 -0.118 0.000 1.133 448 Y CA 0.459 58.458 58.100 -0.169 0.000 1.283 448 Y CB -0.084 38.169 38.460 -0.346 0.000 1.001 448 Y HN 0.465 nan 8.280 nan 0.000 0.555 449 N N -0.775 117.951 118.700 0.043 0.000 2.216 449 N HA -0.108 4.632 4.740 -0.000 0.000 0.183 449 N C 1.748 177.267 175.510 0.015 0.000 1.017 449 N CA 2.038 55.102 53.050 0.023 0.000 0.861 449 N CB -0.409 38.088 38.487 0.017 0.000 0.986 449 N HN 0.446 nan 8.380 nan 0.000 0.428 450 T N -2.527 112.030 114.554 0.005 0.000 3.010 450 T HA 0.209 4.559 4.350 -0.000 0.000 0.257 450 T C 0.472 175.162 174.700 -0.017 0.000 1.020 450 T CA -0.219 61.879 62.100 -0.003 0.000 0.938 450 T CB 0.541 69.408 68.868 -0.001 0.000 1.049 450 T HN -0.105 nan 8.240 nan 0.000 0.522 451 K N 0.302 120.684 120.400 -0.031 0.000 3.349 451 K HA -0.194 4.126 4.320 -0.000 0.000 0.310 451 K C 0.281 176.829 176.600 -0.086 0.000 1.267 451 K CA 0.702 56.963 56.287 -0.043 0.000 0.920 451 K CB -1.993 30.522 32.500 0.026 0.000 1.240 451 K HN 0.676 nan 8.250 nan 0.000 0.453 452 R N 1.191 121.628 120.500 -0.104 0.000 2.543 452 R HA 0.314 4.654 4.340 -0.000 0.000 0.277 452 R C 0.035 176.184 176.300 -0.251 0.000 1.074 452 R CA -0.174 55.809 56.100 -0.194 0.000 1.076 452 R CB 0.425 30.585 30.300 -0.233 0.000 0.993 452 R HN 0.134 nan 8.270 nan 0.000 0.459 453 L N 4.921 125.951 121.223 -0.322 0.000 2.309 453 L HA 0.413 4.753 4.340 -0.000 0.000 0.282 453 L C -0.962 175.722 176.870 -0.310 0.000 1.036 453 L CA -0.793 53.875 54.840 -0.286 0.000 0.806 453 L CB 1.045 42.902 42.059 -0.335 0.000 1.220 453 L HN 0.604 nan 8.230 nan 0.000 0.429 454 Y N -0.251 120.006 120.300 -0.072 0.000 2.485 454 Y HA 0.353 4.903 4.550 -0.000 0.000 0.345 454 Y C -0.743 175.204 175.900 0.078 0.000 0.998 454 Y CA -0.627 57.501 58.100 0.047 0.000 1.059 454 Y CB 1.594 40.054 38.460 0.000 0.000 1.234 454 Y HN 0.408 nan 8.280 nan 0.000 0.461 455 W N 4.024 125.361 121.300 0.061 0.000 2.437 455 W HA 0.467 5.127 4.660 -0.000 0.000 0.312 455 W C 0.242 176.775 176.519 0.024 0.000 1.242 455 W CA -0.909 56.443 57.345 0.012 0.000 1.340 455 W CB 0.271 29.729 29.460 -0.004 0.000 1.327 455 W HN 0.290 nan 8.180 nan 0.000 0.476 456 R N 4.461 125.032 120.500 0.118 0.000 2.694 456 R HA 0.035 4.375 4.340 -0.000 0.000 0.268 456 R C -1.232 175.141 176.300 0.122 0.000 1.061 456 R CA -1.107 55.040 56.100 0.079 0.000 1.133 456 R CB 0.012 30.317 30.300 0.009 0.000 1.020 456 R HN 0.180 nan 8.270 nan 0.000 0.475 457 P HA -0.182 nan 4.420 nan 0.000 0.217 457 P C 0.808 178.171 177.300 0.104 0.000 1.151 457 P CA 1.411 64.579 63.100 0.113 0.000 0.849 457 P CB 0.204 31.957 31.700 0.089 0.000 0.787 458 S N -0.625 115.118 115.700 0.072 0.000 2.400 458 S HA -0.185 4.285 4.470 -0.000 0.000 0.232 458 S C 2.012 176.640 174.600 0.047 0.000 1.025 458 S CA 1.353 59.581 58.200 0.048 0.000 0.993 458 S CB -0.975 62.241 63.200 0.026 0.000 0.808 458 S HN 0.194 nan 8.310 nan 0.000 0.478 459 A N 1.382 124.224 122.820 0.037 0.000 1.933 459 A HA -0.011 4.309 4.320 -0.000 0.000 0.218 459 A C 2.068 179.785 177.584 0.221 0.000 1.175 459 A CA 1.121 53.150 52.037 -0.013 0.000 0.628 459 A CB -0.641 18.162 19.000 -0.329 0.000 0.814 459 A HN 0.477 nan 8.150 nan 0.000 0.444 460 L N -0.582 120.842 121.223 0.336 0.000 2.093 460 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 460 L C 2.454 179.435 176.870 0.186 0.000 1.085 460 L CA 0.889 55.916 54.840 0.313 0.000 0.755 460 L CB -0.613 41.575 42.059 0.214 0.000 0.904 460 L HN 0.226 nan 8.230 nan 0.000 0.435 461 V N -1.129 118.869 119.914 0.140 0.000 2.343 461 V HA -0.309 3.811 4.120 -0.000 0.000 0.247 461 V C 2.275 178.449 176.094 0.133 0.000 1.051 461 V CA 1.661 64.021 62.300 0.099 0.000 1.036 461 V CB -0.678 31.179 31.823 0.056 0.000 0.654 461 V HN 0.357 nan 8.190 nan 0.000 0.451 462 Y N 1.165 121.451 120.300 -0.023 0.000 2.242 462 Y HA -0.146 4.404 4.550 -0.000 0.000 0.291 462 Y C 2.724 178.600 175.900 -0.041 0.000 1.137 462 Y CA 1.698 59.758 58.100 -0.066 0.000 1.181 462 Y CB -0.495 37.915 38.460 -0.084 0.000 0.989 462 Y HN 0.140 nan 8.280 nan 0.000 0.527 463 R N 0.230 120.781 120.500 0.085 0.000 2.091 463 R HA -0.179 4.161 4.340 -0.000 0.000 0.238 463 R C 2.019 178.315 176.300 -0.007 0.000 1.136 463 R CA 1.831 57.959 56.100 0.046 0.000 0.959 463 R CB -0.085 30.348 30.300 0.222 0.000 0.856 463 R HN 0.225 nan 8.270 nan 0.000 0.437 464 E N 0.719 120.933 120.200 0.024 0.000 2.070 464 E HA -0.224 4.126 4.350 -0.000 0.000 0.197 464 E C 2.084 178.649 176.600 -0.058 0.000 1.004 464 E CA 1.561 57.961 56.400 0.001 0.000 0.805 464 E CB -0.313 29.401 29.700 0.024 0.000 0.744 464 E HN 0.490 nan 8.360 nan 0.000 0.451 465 I N 0.877 121.379 120.570 -0.114 0.000 2.179 465 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 465 I C 2.495 178.350 176.117 -0.436 0.000 1.088 465 I CA 1.255 62.391 61.300 -0.273 0.000 1.357 465 I CB -0.353 37.438 38.000 -0.349 0.000 1.051 465 I HN 0.014 nan 8.210 nan 0.000 0.409 466 A N 0.107 122.651 122.820 -0.461 0.000 1.872 466 A HA -0.156 4.164 4.320 -0.000 0.000 0.214 466 A C 2.373 179.914 177.584 -0.072 0.000 1.187 466 A CA 2.132 53.965 52.037 -0.340 0.000 0.614 466 A CB -1.051 17.713 19.000 -0.393 0.000 0.826 466 A HN 0.340 nan 8.150 nan 0.000 0.442 467 T N 0.703 115.223 114.554 -0.057 0.000 2.803 467 T HA -0.105 4.245 4.350 -0.000 0.000 0.269 467 T C 1.568 176.286 174.700 0.030 0.000 1.052 467 T CA 1.530 63.634 62.100 0.007 0.000 1.136 467 T CB -0.322 68.552 68.868 0.009 0.000 0.864 467 T HN 0.506 nan 8.240 nan 0.000 0.467 468 N N -0.001 118.709 118.700 0.017 0.000 2.325 468 N HA 0.107 4.847 4.740 -0.000 0.000 0.182 468 N C 1.339 176.914 175.510 0.109 0.000 1.088 468 N CA 0.593 53.674 53.050 0.051 0.000 0.879 468 N CB 0.468 38.977 38.487 0.036 0.000 0.983 468 N HN 0.477 nan 8.380 nan 0.000 0.471 469 G N 1.150 110.031 108.800 0.136 0.000 2.283 469 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.280 469 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.280 469 G C -0.049 175.087 174.900 0.393 0.000 1.029 469 G CA 0.669 45.959 45.100 0.318 0.000 0.840 469 G HN 0.661 nan 8.290 nan 0.000 0.505 470 A N -1.175 121.788 122.820 0.238 0.000 2.599 470 A HA 0.683 5.003 4.320 -0.000 0.000 0.294 470 A C -0.295 177.394 177.584 0.175 0.000 1.055 470 A CA -0.618 51.610 52.037 0.318 0.000 0.683 470 A CB 0.808 19.931 19.000 0.206 0.000 1.278 470 A HN 0.820 nan 8.150 nan 0.000 0.412 471 I N 2.924 123.652 120.570 0.263 0.000 2.406 471 I HA 0.187 4.357 4.170 -0.000 0.000 0.293 471 I C 1.235 177.418 176.117 0.110 0.000 1.101 471 I CA 0.149 61.557 61.300 0.180 0.000 1.334 471 I CB 0.658 38.832 38.000 0.290 0.000 1.421 471 I HN 0.753 nan 8.210 nan 0.000 0.513 472 T N 0.798 115.389 114.554 0.061 0.000 2.813 472 T HA 0.086 4.436 4.350 -0.000 0.000 0.297 472 T C 0.961 175.671 174.700 0.017 0.000 1.036 472 T CA -0.780 61.337 62.100 0.029 0.000 1.044 472 T CB 1.142 70.025 68.868 0.026 0.000 0.993 472 T HN 0.459 nan 8.240 nan 0.000 0.535 473 D N 0.933 121.326 120.400 -0.011 0.000 2.133 473 D HA -0.157 4.483 4.640 -0.000 0.000 0.195 473 D C 2.140 178.456 176.300 0.026 0.000 0.997 473 D CA 1.527 55.518 54.000 -0.016 0.000 0.840 473 D CB -0.114 40.669 40.800 -0.028 0.000 0.947 473 D HN 0.848 nan 8.370 nan 0.000 0.452 474 E N 0.906 121.127 120.200 0.035 0.000 2.338 474 E HA -0.133 4.217 4.350 -0.000 0.000 0.197 474 E C 2.102 178.783 176.600 0.134 0.000 1.007 474 E CA 0.569 57.003 56.400 0.057 0.000 0.849 474 E CB -0.438 29.283 29.700 0.035 0.000 0.774 474 E HN 0.549 nan 8.360 nan 0.000 0.506 475 I N -2.758 117.887 120.570 0.125 0.000 4.081 475 I HA 0.298 4.468 4.170 -0.000 0.000 0.333 475 I C 1.718 177.861 176.117 0.042 0.000 1.413 475 I CA -0.345 61.025 61.300 0.116 0.000 1.110 475 I CB 0.339 38.363 38.000 0.040 0.000 1.082 475 I HN -0.227 nan 8.210 nan 0.000 0.402 476 E N 2.053 122.321 120.200 0.114 0.000 2.265 476 E HA -0.233 4.117 4.350 -0.000 0.000 0.196 476 E C 1.948 178.584 176.600 0.059 0.000 0.996 476 E CA 1.273 57.723 56.400 0.084 0.000 0.832 476 E CB -0.082 29.665 29.700 0.078 0.000 0.756 476 E HN 0.759 nan 8.360 nan 0.000 0.491 477 H N -0.202 118.876 119.070 0.013 0.000 2.491 477 H HA -0.086 4.470 4.556 -0.000 0.000 0.290 477 H C 1.754 177.109 175.328 0.045 0.000 1.050 477 H CA 0.662 56.724 56.048 0.024 0.000 1.309 477 H CB -0.457 29.319 29.762 0.023 0.000 1.392 477 H HN 0.237 nan 8.280 nan 0.000 0.554 478 L N 1.054 121.900 121.223 -0.627 0.000 2.622 478 L HA -0.038 4.302 4.340 -0.000 0.000 0.233 478 L C 1.360 178.201 176.870 -0.049 0.000 1.156 478 L CA 0.310 54.872 54.840 -0.465 0.000 0.866 478 L CB -0.399 41.324 42.059 -0.560 0.000 0.980 478 L HN 0.321 nan 8.230 nan 0.000 0.448 479 N N 0.993 119.670 118.700 -0.038 0.000 3.245 479 N HA 0.049 4.789 4.740 -0.000 0.000 0.296 479 N C -0.630 174.889 175.510 0.014 0.000 1.254 479 N CA -0.017 53.016 53.050 -0.028 0.000 1.190 479 N CB 0.226 38.585 38.487 -0.213 0.000 1.460 479 N HN 0.217 nan 8.380 nan 0.000 0.538 480 S N -0.821 114.981 115.700 0.169 0.000 2.611 480 S HA 0.276 4.746 4.470 -0.000 0.000 0.268 480 S C -0.628 174.042 174.600 0.117 0.000 1.156 480 S CA -0.881 57.405 58.200 0.143 0.000 0.817 480 S CB 1.208 64.484 63.200 0.126 0.000 1.122 480 S HN -0.072 nan 8.310 nan 0.000 0.466 481 V N 2.453 122.309 119.914 -0.097 0.000 2.555 481 V HA 0.325 4.445 4.120 -0.000 0.000 0.286 481 V C -2.248 173.420 176.094 -0.710 0.000 1.044 481 V CA -1.276 60.706 62.300 -0.529 0.000 1.026 481 V CB 0.125 31.774 31.823 -0.291 0.000 0.981 481 V HN 0.745 nan 8.190 nan 0.000 0.480 482 P HA 0.116 nan 4.420 nan 0.000 0.261 482 P C -2.546 174.406 177.300 -0.580 0.000 1.183 482 P CA -0.809 61.611 63.100 -1.134 0.000 0.761 482 P CB -0.323 30.972 31.700 -0.675 0.000 0.785 483 P HA -0.086 nan 4.420 nan 0.000 0.263 483 P C 1.107 178.327 177.300 -0.133 0.000 1.195 483 P CA 0.236 63.214 63.100 -0.202 0.000 0.762 483 P CB 0.295 31.925 31.700 -0.117 0.000 0.799 484 V N 2.230 122.100 119.914 -0.074 0.000 2.788 484 V HA -0.107 4.013 4.120 -0.000 0.000 0.251 484 V C 2.043 178.225 176.094 0.148 0.000 1.068 484 V CA 1.103 63.414 62.300 0.019 0.000 1.090 484 V CB -0.991 30.835 31.823 0.006 0.000 0.710 484 V HN 0.355 nan 8.190 nan 0.000 0.467 485 K N 1.434 121.887 120.400 0.088 0.000 2.044 485 K HA -0.133 4.187 4.320 -0.000 0.000 0.210 485 K C 0.193 176.856 176.600 0.106 0.000 1.049 485 K CA 2.402 58.776 56.287 0.145 0.000 0.927 485 K CB -1.462 31.069 32.500 0.051 0.000 0.713 485 K HN 0.509 nan 8.250 nan 0.000 0.443 486 P HA 0.031 nan 4.420 nan 0.000 0.233 486 P C 0.234 177.455 177.300 -0.131 0.000 1.167 486 P CA 0.469 63.528 63.100 -0.070 0.000 0.770 486 P CB 0.144 31.788 31.700 -0.093 0.000 0.837 487 L N -0.585 120.581 121.223 -0.095 0.000 2.439 487 L HA 0.321 4.661 4.340 -0.000 0.000 0.259 487 L C 1.109 177.820 176.870 -0.265 0.000 1.129 487 L CA -1.192 53.575 54.840 -0.121 0.000 0.803 487 L CB 0.590 42.638 42.059 -0.018 0.000 1.161 487 L HN -0.170 nan 8.230 nan 0.000 0.462 488 R N 0.290 120.677 120.500 -0.188 0.000 2.570 488 R HA 0.123 4.463 4.340 -0.000 0.000 0.277 488 R C -0.793 175.393 176.300 -0.191 0.000 1.039 488 R CA 0.060 56.017 56.100 -0.238 0.000 1.065 488 R CB 0.312 30.565 30.300 -0.079 0.000 0.964 488 R HN 0.576 nan 8.270 nan 0.000 0.428 489 H N 0.000 119.073 119.070 0.005 0.000 2.539 489 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 489 H CA 0.000 56.053 56.048 0.008 0.000 1.023 489 H CB 0.000 29.763 29.762 0.002 0.000 1.292 489 H HN 0.000 nan 8.280 nan 0.000 0.496