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 1uwi_1_C DATA FIRST_RESID 1 DATA SEQUENCE MYSFPNSFRF GWSQAGFQSE MGTPGSEDLN TDWYKWVHDP ENMAAGLVSG DATA SEQUENCE DLPENGPGYW GNYKTFHNNA QKMGLKIARL NSEWSRQFPN PLPRPQNFDE DATA SEQUENCE SKQDVTEVEI NENELKRLDE YANKDALNHY REIFKDLKSR GLYFIQNMYH DATA SEQUENCE WPLPLWLHDP IRVRRGDFTG PSGWLSTRTV YEFARFSAYT AWKFDDLVDE DATA SEQUENCE YSTMNEPNVV GGLGYVGVKS GFPPGYLSFE LSRRAMYNII QAHARAYDGI DATA SEQUENCE KSVSKKPVGI IYANSSFQPL TDKDMEAVEM AENDNRWWFF DAIIRGEITR DATA SEQUENCE GNEKIVRDDL KGRLDWIGVN YYTRTVVKRT GKGYVSLGGY GHGCERNSVS DATA SEQUENCE LAGLPTSDFG WEFFPEGLYD VLTKYWNRYH LYMYVTENGI ADDADYQRPY DATA SEQUENCE YLVSHVYQVH RAINSGADVR GYLHWSLADN YEWASGFSMR FGLLKVDYNT DATA SEQUENCE KRLYWRPSSL 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 0.000 175.886 176.300 -0.691 0.000 1.140 1 M CA 0.000 54.995 55.300 -0.508 0.000 0.988 1 M CB 0.000 32.473 32.600 -0.212 0.000 1.302 2 Y N 1.097 121.273 120.300 -0.207 0.000 2.854 2 Y HA 0.518 5.068 4.550 -0.000 0.000 0.330 2 Y C -0.252 175.422 175.900 -0.376 0.000 1.037 2 Y CA -0.552 57.187 58.100 -0.602 0.000 1.263 2 Y CB 1.142 39.193 38.460 -0.680 0.000 1.120 2 Y HN 0.409 nan 8.280 nan 0.000 0.532 3 S N 2.539 118.197 115.700 -0.071 0.000 2.578 3 S HA 0.612 5.082 4.470 -0.000 0.000 0.283 3 S C -0.560 174.066 174.600 0.043 0.000 1.195 3 S CA -0.623 57.636 58.200 0.099 0.000 1.050 3 S CB 0.869 64.121 63.200 0.086 0.000 1.012 3 S HN 0.348 nan 8.310 nan 0.000 0.511 4 F N 1.454 121.457 119.950 0.089 0.000 2.450 4 F HA 0.459 4.986 4.527 -0.000 0.000 0.328 4 F C -1.905 173.891 175.800 -0.008 0.000 1.068 4 F CA -2.224 55.736 58.000 -0.067 0.000 1.007 4 F CB 0.231 39.002 39.000 -0.383 0.000 1.251 4 F HN 0.312 nan 8.300 nan 0.000 0.492 5 P HA 0.013 nan 4.420 nan 0.000 0.266 5 P C 0.191 177.597 177.300 0.177 0.000 1.193 5 P CA 0.118 63.290 63.100 0.119 0.000 0.770 5 P CB 0.530 32.293 31.700 0.105 0.000 0.836 6 N N 0.589 119.356 118.700 0.111 0.000 2.149 6 N HA -0.138 4.601 4.740 -0.000 0.000 0.188 6 N C 1.391 176.958 175.510 0.095 0.000 1.019 6 N CA 1.859 54.970 53.050 0.102 0.000 0.857 6 N CB -0.560 37.963 38.487 0.060 0.000 0.997 6 N HN 0.485 nan 8.380 nan 0.000 0.426 7 S N -0.394 115.343 115.700 0.063 0.000 2.562 7 S HA 0.034 4.503 4.470 -0.000 0.000 0.221 7 S C 0.562 175.155 174.600 -0.012 0.000 0.975 7 S CA -0.453 57.745 58.200 -0.004 0.000 0.918 7 S CB -0.546 62.618 63.200 -0.060 0.000 0.772 7 S HN 0.212 nan 8.310 nan 0.000 0.531 8 F N 3.490 123.401 119.950 -0.065 0.000 2.538 8 F HA 0.389 4.916 4.527 -0.000 0.000 0.371 8 F C 0.662 176.367 175.800 -0.159 0.000 1.087 8 F CA -0.462 57.473 58.000 -0.107 0.000 1.250 8 F CB 0.461 39.447 39.000 -0.023 0.000 1.110 8 F HN -0.022 nan 8.300 nan 0.000 0.570 9 R N 5.300 125.412 120.500 -0.646 0.000 2.637 9 R HA 0.449 4.789 4.340 -0.000 0.000 0.291 9 R C -1.656 174.350 176.300 -0.491 0.000 0.963 9 R CA -0.883 54.991 56.100 -0.377 0.000 0.901 9 R CB 1.590 31.725 30.300 -0.275 0.000 1.160 9 R HN 0.494 nan 8.270 nan 0.000 0.457 10 F N 0.526 120.497 119.950 0.035 0.000 2.436 10 F HA 0.634 5.161 4.527 -0.000 0.000 0.340 10 F C 0.927 176.833 175.800 0.178 0.000 1.113 10 F CA 0.022 58.126 58.000 0.173 0.000 1.022 10 F CB 2.141 41.200 39.000 0.099 0.000 1.128 10 F HN 0.671 nan 8.300 nan 0.000 0.466 11 G N 1.906 111.014 108.800 0.514 0.000 2.827 11 G HA2 0.497 4.457 3.960 -0.000 0.000 0.202 11 G HA3 0.497 4.457 3.960 -0.000 0.000 0.202 11 G C -2.221 173.077 174.900 0.664 0.000 1.185 11 G CA -0.543 44.859 45.100 0.503 0.000 0.920 11 G HN 0.725 nan 8.290 nan 0.000 0.550 12 W N -0.391 121.028 121.300 0.199 0.000 3.074 12 W HA 0.827 5.486 4.660 -0.000 0.000 0.332 12 W C -1.016 175.559 176.519 0.094 0.000 1.253 12 W CA -0.877 56.562 57.345 0.155 0.000 1.180 12 W CB 1.243 30.781 29.460 0.130 0.000 1.445 12 W HN 0.581 nan 8.180 nan 0.000 0.573 13 S N 1.459 117.185 115.700 0.042 0.000 2.607 13 S HA 0.675 5.145 4.470 -0.000 0.000 0.303 13 S C -1.340 173.232 174.600 -0.047 0.000 1.086 13 S CA -0.739 57.452 58.200 -0.015 0.000 0.995 13 S CB 1.837 65.227 63.200 0.317 0.000 1.084 13 S HN 0.563 nan 8.310 nan 0.000 0.507 14 Q N 0.104 119.926 119.800 0.038 0.000 2.527 14 Q HA 0.662 5.002 4.340 -0.000 0.000 0.280 14 Q C -2.157 173.932 176.000 0.149 0.000 0.977 14 Q CA -0.734 55.049 55.803 -0.034 0.000 0.837 14 Q CB 1.706 30.455 28.738 0.018 0.000 1.454 14 Q HN 0.793 nan 8.270 nan 0.000 0.387 15 A N 0.773 123.654 122.820 0.101 0.000 2.355 15 A HA 0.726 5.046 4.320 -0.000 0.000 0.324 15 A C 0.620 178.225 177.584 0.034 0.000 1.117 15 A CA 0.110 52.078 52.037 -0.115 0.000 0.785 15 A CB 1.259 19.865 19.000 -0.656 0.000 1.254 15 A HN 0.916 nan 8.150 nan 0.000 0.453 16 G N 0.304 109.199 108.800 0.158 0.000 2.453 16 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.215 16 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.215 16 G C 1.265 176.303 174.900 0.231 0.000 1.201 16 G CA 1.449 46.728 45.100 0.298 0.000 0.784 16 G HN 0.765 nan 8.290 nan 0.000 0.545 17 F N 1.609 121.586 119.950 0.045 0.000 2.161 17 F HA -0.087 4.440 4.527 -0.000 0.000 0.300 17 F C 2.935 178.627 175.800 -0.181 0.000 1.089 17 F CA 1.964 59.940 58.000 -0.039 0.000 1.282 17 F CB -0.069 38.912 39.000 -0.033 0.000 1.010 17 F HN 0.226 nan 8.300 nan 0.000 0.485 18 Q N -1.341 118.327 119.800 -0.220 0.000 2.245 18 Q HA -0.051 4.289 4.340 -0.000 0.000 0.201 18 Q C 1.910 177.881 176.000 -0.048 0.000 0.955 18 Q CA 1.465 57.103 55.803 -0.275 0.000 0.870 18 Q CB 0.027 28.610 28.738 -0.257 0.000 0.945 18 Q HN 0.303 nan 8.270 nan 0.000 0.461 19 S N -0.260 115.453 115.700 0.022 0.000 2.575 19 S HA 0.050 4.520 4.470 -0.000 0.000 0.230 19 S C 1.304 176.011 174.600 0.178 0.000 1.062 19 S CA -0.244 58.029 58.200 0.121 0.000 0.913 19 S CB 0.454 63.697 63.200 0.071 0.000 0.837 19 S HN 0.263 nan 8.310 nan 0.000 0.487 20 E N 1.627 121.946 120.200 0.197 0.000 2.023 20 E HA -0.052 4.297 4.350 -0.000 0.000 0.196 20 E C 0.366 177.072 176.600 0.175 0.000 1.003 20 E CA 0.825 57.399 56.400 0.290 0.000 0.809 20 E CB -0.178 29.701 29.700 0.298 0.000 0.755 20 E HN 0.433 nan 8.360 nan 0.000 0.449 21 M N -0.636 118.981 119.600 0.028 0.000 2.240 21 M HA 0.091 4.571 4.480 -0.000 0.000 0.317 21 M C 1.030 177.369 176.300 0.065 0.000 1.087 21 M CA 1.217 56.513 55.300 -0.007 0.000 1.176 21 M CB 0.819 33.370 32.600 -0.081 0.000 1.439 21 M HN 0.429 nan 8.290 nan 0.000 0.452 22 G N 0.042 108.879 108.800 0.062 0.000 3.110 22 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.205 22 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.205 22 G C 0.017 174.964 174.900 0.077 0.000 1.019 22 G CA -0.039 45.112 45.100 0.085 0.000 0.826 22 G HN 0.780 nan 8.290 nan 0.000 0.481 23 T N 1.189 115.796 114.554 0.089 0.000 2.929 23 T HA 0.701 5.051 4.350 -0.000 0.000 0.284 23 T C -2.738 172.001 174.700 0.065 0.000 1.014 23 T CA -1.789 60.359 62.100 0.081 0.000 1.051 23 T CB 2.505 71.436 68.868 0.104 0.000 1.028 23 T HN 0.175 nan 8.240 nan 0.000 0.485 24 P HA 0.233 nan 4.420 nan 0.000 0.264 24 P C 1.015 178.338 177.300 0.038 0.000 1.193 24 P CA 0.739 63.859 63.100 0.033 0.000 0.763 24 P CB 0.396 32.111 31.700 0.025 0.000 0.810 25 G N 2.741 111.549 108.800 0.012 0.000 2.175 25 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.244 25 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.244 25 G C 0.862 175.732 174.900 -0.049 0.000 0.982 25 G CA 0.419 45.521 45.100 0.002 0.000 0.641 25 G HN 0.674 nan 8.290 nan 0.000 0.527 26 S N -0.298 115.348 115.700 -0.089 0.000 2.548 26 S HA 0.371 4.841 4.470 -0.000 0.000 0.215 26 S C 0.560 174.929 174.600 -0.384 0.000 0.976 26 S CA 0.671 58.651 58.200 -0.367 0.000 0.908 26 S CB 0.423 63.517 63.200 -0.178 0.000 0.781 26 S HN 0.438 nan 8.310 nan 0.000 0.519 27 E N 2.707 122.784 120.200 -0.204 0.000 2.529 27 E HA 0.291 4.641 4.350 -0.000 0.000 0.259 27 E C -0.570 175.886 176.600 -0.241 0.000 0.966 27 E CA 0.474 56.775 56.400 -0.167 0.000 0.937 27 E CB 0.199 29.835 29.700 -0.107 0.000 0.923 27 E HN 0.294 nan 8.360 nan 0.000 0.468 28 D N 3.157 123.421 120.400 -0.227 0.000 2.421 28 D HA 0.159 4.799 4.640 -0.000 0.000 0.254 28 D C -0.263 175.805 176.300 -0.387 0.000 1.238 28 D CA -0.403 53.466 54.000 -0.219 0.000 0.919 28 D CB 0.408 41.144 40.800 -0.107 0.000 1.152 28 D HN 0.357 nan 8.370 nan 0.000 0.552 29 L N 2.266 123.159 121.223 -0.550 0.000 2.592 29 L HA 0.303 4.643 4.340 -0.000 0.000 0.227 29 L C 0.661 177.300 176.870 -0.385 0.000 1.127 29 L CA 0.027 54.289 54.840 -0.962 0.000 0.884 29 L CB -0.284 41.332 42.059 -0.738 0.000 1.065 29 L HN 0.179 nan 8.230 nan 0.000 0.457 30 N N 0.573 119.181 118.700 -0.153 0.000 2.466 30 N HA 0.046 4.786 4.740 -0.000 0.000 0.251 30 N C 0.096 175.626 175.510 0.033 0.000 1.164 30 N CA -0.088 52.951 53.050 -0.018 0.000 0.888 30 N CB 0.329 38.836 38.487 0.033 0.000 1.177 30 N HN 0.269 nan 8.380 nan 0.000 0.498 31 T N -3.348 111.265 114.554 0.098 0.000 2.924 31 T HA 0.192 4.542 4.350 -0.000 0.000 0.291 31 T C 0.776 175.560 174.700 0.140 0.000 1.045 31 T CA -0.953 61.221 62.100 0.123 0.000 1.015 31 T CB 1.717 70.712 68.868 0.211 0.000 1.103 31 T HN -0.006 nan 8.240 nan 0.000 0.496 32 D N 0.367 120.801 120.400 0.055 0.000 2.144 32 D HA -0.134 4.506 4.640 -0.000 0.000 0.199 32 D C 1.423 177.756 176.300 0.055 0.000 0.984 32 D CA 1.066 55.041 54.000 -0.042 0.000 0.834 32 D CB -0.587 40.077 40.800 -0.225 0.000 0.955 32 D HN 0.723 nan 8.370 nan 0.000 0.465 33 W N 0.035 121.336 121.300 0.002 0.000 2.358 33 W HA -0.119 4.541 4.660 -0.000 0.000 0.303 33 W C 2.371 179.057 176.519 0.279 0.000 1.208 33 W CA 0.912 58.264 57.345 0.011 0.000 1.274 33 W CB -0.611 28.584 29.460 -0.441 0.000 1.138 33 W HN -0.004 nan 8.180 nan 0.000 0.515 34 Y N 1.329 121.901 120.300 0.452 0.000 2.145 34 Y HA -0.272 4.278 4.550 -0.000 0.000 0.286 34 Y C 2.534 178.701 175.900 0.445 0.000 1.145 34 Y CA 2.434 60.867 58.100 0.555 0.000 1.148 34 Y CB -0.648 38.039 38.460 0.379 0.000 0.981 34 Y HN -0.151 nan 8.280 nan 0.000 0.507 35 K N -0.265 120.427 120.400 0.488 0.000 2.097 35 K HA -0.244 4.076 4.320 -0.000 0.000 0.206 35 K C 2.284 179.031 176.600 0.245 0.000 1.049 35 K CA 1.549 58.024 56.287 0.314 0.000 0.933 35 K CB -0.768 31.850 32.500 0.197 0.000 0.717 35 K HN 0.622 nan 8.250 nan 0.000 0.442 36 W N 1.751 123.074 121.300 0.038 0.000 2.355 36 W HA -0.204 4.456 4.660 -0.000 0.000 0.309 36 W C 1.561 178.089 176.519 0.014 0.000 1.206 36 W CA 2.126 59.431 57.345 -0.067 0.000 1.284 36 W CB -0.119 29.163 29.460 -0.297 0.000 1.145 36 W HN 0.047 nan 8.180 nan 0.000 0.502 37 V N -1.835 118.248 119.914 0.280 0.000 3.380 37 V HA -0.094 4.025 4.120 -0.000 0.000 0.268 37 V C 1.247 177.268 176.094 -0.121 0.000 1.168 37 V CA 1.756 64.136 62.300 0.134 0.000 1.156 37 V CB -1.099 30.953 31.823 0.380 0.000 0.785 37 V HN 0.102 nan 8.190 nan 0.000 0.487 38 H N -0.188 118.827 119.070 -0.091 0.000 2.622 38 H HA 0.317 4.872 4.556 -0.000 0.000 0.269 38 H C 0.566 175.834 175.328 -0.101 0.000 0.977 38 H CA 0.060 56.039 56.048 -0.116 0.000 1.179 38 H CB 0.157 29.835 29.762 -0.140 0.000 1.458 38 H HN 0.531 nan 8.280 nan 0.000 0.531 39 D N 0.932 121.295 120.400 -0.061 0.000 2.450 39 D HA -0.028 4.612 4.640 -0.000 0.000 0.247 39 D C -1.525 174.690 176.300 -0.143 0.000 1.162 39 D CA -1.362 52.561 54.000 -0.129 0.000 0.879 39 D CB 1.283 41.917 40.800 -0.278 0.000 1.163 39 D HN 0.047 nan 8.370 nan 0.000 0.472 40 P HA -0.138 nan 4.420 nan 0.000 0.215 40 P C 0.642 177.880 177.300 -0.104 0.000 1.153 40 P CA 1.194 64.247 63.100 -0.079 0.000 0.853 40 P CB 0.189 31.860 31.700 -0.049 0.000 0.788 41 E N -1.043 119.081 120.200 -0.127 0.000 2.107 41 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 41 E C 1.807 178.300 176.600 -0.179 0.000 0.982 41 E CA 0.737 57.057 56.400 -0.132 0.000 0.809 41 E CB -0.452 29.174 29.700 -0.125 0.000 0.756 41 E HN 0.214 nan 8.360 nan 0.000 0.459 42 N N 0.613 119.143 118.700 -0.285 0.000 2.166 42 N HA -0.122 4.618 4.740 -0.000 0.000 0.186 42 N C 1.763 177.144 175.510 -0.215 0.000 1.019 42 N CA 1.162 53.996 53.050 -0.361 0.000 0.856 42 N CB -0.101 37.972 38.487 -0.690 0.000 0.993 42 N HN 0.194 nan 8.380 nan 0.000 0.426 43 M N 0.304 119.799 119.600 -0.175 0.000 2.099 43 M HA -0.050 4.430 4.480 -0.000 0.000 0.262 43 M C 2.257 178.512 176.300 -0.075 0.000 1.067 43 M CA 1.449 56.685 55.300 -0.108 0.000 1.124 43 M CB -0.300 32.244 32.600 -0.094 0.000 1.353 43 M HN 0.118 nan 8.290 nan 0.000 0.410 44 A N 0.479 123.253 122.820 -0.076 0.000 1.908 44 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 44 A C 2.290 179.846 177.584 -0.046 0.000 1.181 44 A CA 2.000 54.005 52.037 -0.053 0.000 0.627 44 A CB -0.934 18.035 19.000 -0.052 0.000 0.818 44 A HN 0.525 nan 8.150 nan 0.000 0.445 45 A N -1.945 120.838 122.820 -0.061 0.000 2.168 45 A HA 0.372 4.692 4.320 -0.000 0.000 0.215 45 A C 1.924 179.493 177.584 -0.024 0.000 1.152 45 A CA 1.336 53.347 52.037 -0.044 0.000 0.716 45 A CB -0.995 17.970 19.000 -0.057 0.000 0.794 45 A HN 1.974 nan 8.150 nan 0.000 0.465 46 G N -1.239 107.544 108.800 -0.028 0.000 2.143 46 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.248 46 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.248 46 G C 0.733 175.648 174.900 0.024 0.000 0.991 46 G CA 0.518 45.617 45.100 -0.001 0.000 0.689 46 G HN 0.435 nan 8.290 nan 0.000 0.522 47 L N -0.543 120.683 121.223 0.005 0.000 2.156 47 L HA 0.180 4.520 4.340 -0.000 0.000 0.208 47 L C 1.615 178.558 176.870 0.122 0.000 1.095 47 L CA 1.516 56.396 54.840 0.066 0.000 0.770 47 L CB -0.158 41.913 42.059 0.019 0.000 0.914 47 L HN 0.487 nan 8.230 nan 0.000 0.439 48 V N -5.101 114.840 119.914 0.044 0.000 2.769 48 V HA 0.359 4.479 4.120 -0.000 0.000 0.312 48 V C 1.068 177.185 176.094 0.038 0.000 1.061 48 V CA -0.279 62.072 62.300 0.086 0.000 0.931 48 V CB 1.580 33.428 31.823 0.040 0.000 1.010 48 V HN 0.139 nan 8.190 nan 0.000 0.433 49 S N 1.539 117.262 115.700 0.038 0.000 2.399 49 S HA 0.145 4.615 4.470 -0.000 0.000 0.231 49 S C 1.682 176.275 174.600 -0.011 0.000 1.022 49 S CA 1.873 60.073 58.200 0.000 0.000 0.983 49 S CB -0.393 62.780 63.200 -0.045 0.000 0.803 49 S HN 2.762 nan 8.310 nan 0.000 0.480 50 G N 0.556 109.346 108.800 -0.017 0.000 2.253 50 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.209 50 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.209 50 G C -0.426 174.458 174.900 -0.028 0.000 0.997 50 G CA 0.010 45.088 45.100 -0.035 0.000 0.640 50 G HN 0.551 nan 8.290 nan 0.000 0.496 51 D N 0.807 121.215 120.400 0.013 0.000 2.362 51 D HA 0.568 5.208 4.640 -0.000 0.000 0.242 51 D C 0.757 177.081 176.300 0.040 0.000 1.132 51 D CA 0.334 54.381 54.000 0.077 0.000 0.907 51 D CB 1.081 41.922 40.800 0.069 0.000 1.195 51 D HN 0.370 nan 8.370 nan 0.000 0.429 52 L N 2.194 123.401 121.223 -0.026 0.000 2.346 52 L HA 0.280 4.620 4.340 -0.000 0.000 0.276 52 L C -1.654 174.954 176.870 -0.436 0.000 1.006 52 L CA -1.957 52.711 54.840 -0.287 0.000 0.817 52 L CB 2.199 44.118 42.059 -0.234 0.000 1.272 52 L HN 0.090 nan 8.230 nan 0.000 0.421 53 P HA -0.171 nan 4.420 nan 0.000 0.217 53 P C 0.767 177.905 177.300 -0.270 0.000 1.148 53 P CA 1.104 63.645 63.100 -0.931 0.000 0.828 53 P CB 0.282 31.349 31.700 -1.055 0.000 0.783 54 E N -0.621 119.532 120.200 -0.078 0.000 2.333 54 E HA -0.173 4.177 4.350 -0.000 0.000 0.200 54 E C 0.747 177.369 176.600 0.036 0.000 1.010 54 E CA 1.063 57.486 56.400 0.037 0.000 0.841 54 E CB -1.095 28.676 29.700 0.118 0.000 0.757 54 E HN 0.504 nan 8.360 nan 0.000 0.508 55 N N 0.230 118.962 118.700 0.053 0.000 2.279 55 N HA 0.150 4.889 4.740 -0.000 0.000 0.226 55 N C 0.539 176.002 175.510 -0.078 0.000 1.126 55 N CA -0.166 52.888 53.050 0.006 0.000 0.846 55 N CB 0.880 39.356 38.487 -0.018 0.000 1.050 55 N HN 0.095 nan 8.380 nan 0.000 0.502 56 G N 1.666 110.531 108.800 0.108 0.000 2.525 56 G HA2 0.045 4.004 3.960 -0.000 0.000 0.276 56 G HA3 0.045 4.004 3.960 -0.000 0.000 0.276 56 G C -1.450 173.633 174.900 0.305 0.000 1.388 56 G CA -0.664 44.577 45.100 0.236 0.000 1.050 56 G HN -0.066 nan 8.290 nan 0.000 0.520 57 P HA 0.043 nan 4.420 nan 0.000 0.220 57 P C 1.062 178.538 177.300 0.292 0.000 1.148 57 P CA 1.676 64.969 63.100 0.323 0.000 0.803 57 P CB 0.133 32.099 31.700 0.444 0.000 0.782 58 G N -1.684 107.256 108.800 0.233 0.000 2.212 58 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.255 58 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.255 58 G C 0.516 175.500 174.900 0.139 0.000 1.062 58 G CA 0.160 45.370 45.100 0.184 0.000 0.815 58 G HN 0.265 nan 8.290 nan 0.000 0.497 59 Y N -0.698 119.536 120.300 -0.109 0.000 2.274 59 Y HA -0.076 4.474 4.550 -0.000 0.000 0.290 59 Y C 2.360 178.223 175.900 -0.062 0.000 1.145 59 Y CA 2.194 60.007 58.100 -0.478 0.000 1.203 59 Y CB -0.183 37.940 38.460 -0.562 0.000 0.984 59 Y HN 0.534 nan 8.280 nan 0.000 0.533 60 W N 0.761 121.998 121.300 -0.104 0.000 2.325 60 W HA -0.202 4.458 4.660 -0.000 0.000 0.299 60 W C 1.810 178.349 176.519 0.034 0.000 1.215 60 W CA 1.995 59.287 57.345 -0.088 0.000 1.244 60 W CB -0.568 28.849 29.460 -0.072 0.000 1.140 60 W HN 0.283 nan 8.180 nan 0.000 0.523 61 G N -0.988 107.890 108.800 0.128 0.000 2.709 61 G HA2 -0.117 3.842 3.960 -0.000 0.000 0.208 61 G HA3 -0.117 3.842 3.960 -0.000 0.000 0.208 61 G C 0.858 175.708 174.900 -0.083 0.000 1.129 61 G CA 0.038 45.168 45.100 0.050 0.000 0.793 61 G HN 0.077 nan 8.290 nan 0.000 0.524 62 N N 0.538 119.175 118.700 -0.106 0.000 2.273 62 N HA 0.107 4.847 4.740 -0.000 0.000 0.231 62 N C 1.334 176.691 175.510 -0.255 0.000 1.134 62 N CA -0.405 52.559 53.050 -0.144 0.000 0.856 62 N CB 0.128 38.670 38.487 0.092 0.000 1.068 62 N HN 0.565 nan 8.380 nan 0.000 0.510 63 Y N 0.997 120.944 120.300 -0.588 0.000 2.151 63 Y HA -0.112 4.438 4.550 -0.000 0.000 0.284 63 Y C 1.882 177.444 175.900 -0.563 0.000 1.166 63 Y CA 1.092 58.653 58.100 -0.898 0.000 1.163 63 Y CB -0.587 37.048 38.460 -1.375 0.000 0.974 63 Y HN -0.143 nan 8.280 nan 0.000 0.511 64 K N 0.025 119.886 120.400 -0.897 0.000 2.103 64 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 64 K C 2.038 178.561 176.600 -0.129 0.000 1.048 64 K CA 1.975 57.995 56.287 -0.446 0.000 0.930 64 K CB -0.384 31.814 32.500 -0.503 0.000 0.716 64 K HN 0.425 nan 8.250 nan 0.000 0.444 65 T N 0.745 115.251 114.554 -0.079 0.000 2.821 65 T HA -0.078 4.271 4.350 -0.000 0.000 0.267 65 T C 1.478 176.257 174.700 0.130 0.000 1.046 65 T CA 1.019 63.140 62.100 0.034 0.000 1.139 65 T CB -0.211 68.680 68.868 0.038 0.000 0.871 65 T HN 0.040 nan 8.240 nan 0.000 0.454 66 F N 1.532 121.454 119.950 -0.047 0.000 2.051 66 F HA -0.057 4.470 4.527 -0.000 0.000 0.296 66 F C 2.438 178.277 175.800 0.064 0.000 1.122 66 F CA 1.088 59.094 58.000 0.011 0.000 1.201 66 F CB -1.083 38.044 39.000 0.211 0.000 0.978 66 F HN 0.378 nan 8.300 nan 0.000 0.472 67 H N -1.462 117.807 119.070 0.330 0.000 2.352 67 H HA -0.214 4.342 4.556 -0.000 0.000 0.299 67 H C 1.999 177.401 175.328 0.124 0.000 1.097 67 H CA 1.140 57.336 56.048 0.246 0.000 1.311 67 H CB -0.301 29.632 29.762 0.286 0.000 1.377 67 H HN 0.180 nan 8.280 nan 0.000 0.504 68 N N 0.707 119.538 118.700 0.218 0.000 2.120 68 N HA -0.150 4.590 4.740 -0.000 0.000 0.188 68 N C 1.597 177.179 175.510 0.120 0.000 1.024 68 N CA 1.170 54.299 53.050 0.131 0.000 0.852 68 N CB -0.106 38.426 38.487 0.075 0.000 1.003 68 N HN 0.246 nan 8.380 nan 0.000 0.424 69 N N 0.051 118.808 118.700 0.095 0.000 2.188 69 N HA -0.064 4.676 4.740 -0.000 0.000 0.184 69 N C 1.502 177.030 175.510 0.029 0.000 1.018 69 N CA 1.143 54.270 53.050 0.128 0.000 0.858 69 N CB -0.372 38.112 38.487 -0.006 0.000 0.989 69 N HN 0.369 nan 8.380 nan 0.000 0.426 70 A N 1.171 123.933 122.820 -0.097 0.000 1.933 70 A HA -0.200 4.119 4.320 -0.000 0.000 0.218 70 A C 2.189 179.796 177.584 0.038 0.000 1.175 70 A CA 1.384 53.330 52.037 -0.151 0.000 0.628 70 A CB -0.651 18.180 19.000 -0.283 0.000 0.814 70 A HN 0.363 nan 8.150 nan 0.000 0.444 71 Q N -0.244 119.615 119.800 0.098 0.000 2.050 71 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 71 Q C 1.901 177.969 176.000 0.112 0.000 0.980 71 Q CA 1.898 57.767 55.803 0.111 0.000 0.840 71 Q CB -0.127 28.678 28.738 0.112 0.000 0.898 71 Q HN 0.664 nan 8.270 nan 0.000 0.424 72 K N -0.134 120.357 120.400 0.151 0.000 2.280 72 K HA -0.099 4.221 4.320 -0.000 0.000 0.202 72 K C 1.774 178.535 176.600 0.270 0.000 1.047 72 K CA 1.089 57.486 56.287 0.183 0.000 0.942 72 K CB -0.037 32.590 32.500 0.211 0.000 0.739 72 K HN 0.291 nan 8.250 nan 0.000 0.457 73 M N -0.484 119.272 119.600 0.261 0.000 2.561 73 M HA 0.040 4.519 4.480 -0.000 0.000 0.238 73 M C 0.383 176.691 176.300 0.013 0.000 1.131 73 M CA 0.619 56.019 55.300 0.167 0.000 1.046 73 M CB 0.525 33.075 32.600 -0.083 0.000 1.532 73 M HN 0.376 nan 8.290 nan 0.000 0.497 74 G N 1.439 110.263 108.800 0.040 0.000 2.143 74 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.248 74 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.248 74 G C -0.027 174.883 174.900 0.018 0.000 0.991 74 G CA -0.036 45.074 45.100 0.017 0.000 0.689 74 G HN 0.450 nan 8.290 nan 0.000 0.522 75 L N -0.668 120.579 121.223 0.041 0.000 2.439 75 L HA 0.396 4.735 4.340 -0.000 0.000 0.269 75 L C 1.349 178.324 176.870 0.176 0.000 1.179 75 L CA 0.275 55.192 54.840 0.129 0.000 0.828 75 L CB 0.780 42.986 42.059 0.247 0.000 1.106 75 L HN 0.098 nan 8.230 nan 0.000 0.467 76 K N 3.521 124.028 120.400 0.180 0.000 2.564 76 K HA 0.453 4.773 4.320 -0.000 0.000 0.201 76 K C -0.603 176.073 176.600 0.127 0.000 1.086 76 K CA -0.034 56.338 56.287 0.141 0.000 1.062 76 K CB 1.227 33.788 32.500 0.103 0.000 0.849 76 K HN 0.487 nan 8.250 nan 0.000 0.529 77 I N -0.105 120.546 120.570 0.135 0.000 2.842 77 I HA 0.523 4.692 4.170 -0.000 0.000 0.297 77 I C -2.229 173.847 176.117 -0.068 0.000 1.380 77 I CA -0.748 60.585 61.300 0.055 0.000 1.018 77 I CB 2.059 40.040 38.000 -0.031 0.000 1.311 77 I HN -0.007 nan 8.210 nan 0.000 0.439 78 A N 6.459 129.143 122.820 -0.226 0.000 2.520 78 A HA 0.775 5.094 4.320 -0.000 0.000 0.298 78 A C -1.579 175.792 177.584 -0.355 0.000 1.051 78 A CA -0.682 50.981 52.037 -0.623 0.000 0.690 78 A CB 1.972 20.338 19.000 -1.057 0.000 1.281 78 A HN 0.675 nan 8.150 nan 0.000 0.402 79 R N 2.592 122.846 120.500 -0.410 0.000 2.451 79 R HA 0.658 4.998 4.340 -0.000 0.000 0.307 79 R C -2.101 174.143 176.300 -0.093 0.000 0.965 79 R CA -0.339 55.652 56.100 -0.182 0.000 0.865 79 R CB 0.581 30.811 30.300 -0.117 0.000 1.174 79 R HN 0.560 nan 8.270 nan 0.000 0.455 80 L N 2.935 124.198 121.223 0.067 0.000 2.230 80 L HA 0.588 4.928 4.340 -0.000 0.000 0.255 80 L C -0.122 176.879 176.870 0.218 0.000 1.039 80 L CA -0.894 54.054 54.840 0.181 0.000 0.846 80 L CB 1.519 43.770 42.059 0.321 0.000 1.419 80 L HN 0.763 nan 8.230 nan 0.000 0.435 81 N N -1.473 117.411 118.700 0.306 0.000 2.357 81 N HA 0.447 5.187 4.740 -0.000 0.000 0.284 81 N C -1.510 174.213 175.510 0.355 0.000 1.236 81 N CA -0.478 52.757 53.050 0.309 0.000 0.774 81 N CB 1.967 40.670 38.487 0.359 0.000 1.534 81 N HN 0.398 nan 8.380 nan 0.000 0.478 82 S N 0.152 116.012 115.700 0.268 0.000 2.541 82 S HA 0.219 4.689 4.470 -0.000 0.000 0.283 82 S C -0.491 174.375 174.600 0.444 0.000 1.196 82 S CA -0.628 57.619 58.200 0.078 0.000 1.062 82 S CB 0.860 64.002 63.200 -0.096 0.000 1.009 82 S HN 0.409 nan 8.310 nan 0.000 0.502 83 E N 2.341 122.869 120.200 0.547 0.000 2.052 83 E HA 0.003 4.353 4.350 -0.000 0.000 0.283 83 E C 0.400 177.373 176.600 0.622 0.000 1.071 83 E CA -0.265 56.486 56.400 0.586 0.000 0.851 83 E CB 0.432 30.448 29.700 0.527 0.000 1.066 83 E HN 0.780 nan 8.360 nan 0.000 0.396 84 W N 4.449 125.935 121.300 0.310 0.000 2.290 84 W HA -0.320 4.339 4.660 -0.000 0.000 0.318 84 W C 1.924 178.529 176.519 0.143 0.000 1.248 84 W CA 2.405 59.694 57.345 -0.092 0.000 1.263 84 W CB -0.705 28.471 29.460 -0.474 0.000 1.147 84 W HN 0.505 nan 8.180 nan 0.000 0.494 85 S N 0.376 116.280 115.700 0.340 0.000 2.400 85 S HA -0.214 4.256 4.470 -0.000 0.000 0.232 85 S C 1.901 176.665 174.600 0.274 0.000 1.025 85 S CA 1.479 59.807 58.200 0.213 0.000 0.993 85 S CB -0.666 62.619 63.200 0.142 0.000 0.808 85 S HN 0.457 nan 8.310 nan 0.000 0.478 86 R N 0.511 121.211 120.500 0.333 0.000 2.115 86 R HA 0.097 4.437 4.340 -0.000 0.000 0.226 86 R C 2.565 179.049 176.300 0.307 0.000 1.100 86 R CA 1.218 57.489 56.100 0.285 0.000 0.980 86 R CB -0.330 30.178 30.300 0.346 0.000 0.875 86 R HN 0.370 nan 8.270 nan 0.000 0.445 87 Q N -0.149 119.885 119.800 0.390 0.000 2.049 87 Q HA 0.019 4.359 4.340 -0.000 0.000 0.198 87 Q C -0.115 175.719 176.000 -0.276 0.000 0.971 87 Q CA 1.287 57.169 55.803 0.131 0.000 0.833 87 Q CB 0.349 29.288 28.738 0.334 0.000 0.896 87 Q HN 0.161 nan 8.270 nan 0.000 0.434 88 F N 0.291 120.528 119.950 0.478 0.000 2.531 88 F HA 0.308 4.835 4.527 -0.000 0.000 0.333 88 F C -1.775 174.268 175.800 0.404 0.000 1.292 88 F CA -1.991 56.257 58.000 0.413 0.000 1.184 88 F CB 1.558 40.884 39.000 0.543 0.000 1.426 88 F HN 0.041 nan 8.300 nan 0.000 0.559 89 P HA -0.078 nan 4.420 nan 0.000 0.225 89 P C -0.401 177.042 177.300 0.239 0.000 1.156 89 P CA 0.891 64.159 63.100 0.281 0.000 0.787 89 P CB 0.345 32.137 31.700 0.153 0.000 0.802 90 N N 0.610 119.361 118.700 0.085 0.000 2.466 90 N HA 0.340 5.080 4.740 -0.000 0.000 0.294 90 N C -2.761 172.288 175.510 -0.768 0.000 1.129 90 N CA -2.068 50.890 53.050 -0.154 0.000 0.931 90 N CB 0.312 38.777 38.487 -0.037 0.000 1.193 90 N HN -0.073 nan 8.380 nan 0.000 0.500 91 P HA 0.034 nan 4.420 nan 0.000 0.268 91 P C -0.727 175.933 177.300 -1.065 0.000 1.204 91 P CA 0.293 62.604 63.100 -1.315 0.000 0.768 91 P CB 0.580 32.003 31.700 -0.461 0.000 0.842 92 L N 5.569 125.965 121.223 -1.379 0.000 2.379 92 L HA 0.436 4.776 4.340 -0.000 0.000 0.269 92 L C -1.870 174.687 176.870 -0.522 0.000 1.084 92 L CA -2.237 52.060 54.840 -0.905 0.000 0.802 92 L CB 0.493 42.101 42.059 -0.752 0.000 1.175 92 L HN 0.203 nan 8.230 nan 0.000 0.448 93 P HA 0.087 nan 4.420 nan 0.000 0.268 93 P C -0.450 176.768 177.300 -0.138 0.000 1.204 93 P CA -0.293 62.691 63.100 -0.195 0.000 0.768 93 P CB 0.426 32.055 31.700 -0.118 0.000 0.842 94 R N 3.879 124.331 120.500 -0.079 0.000 2.697 94 R HA 0.048 4.388 4.340 -0.000 0.000 0.265 94 R C -1.995 174.259 176.300 -0.077 0.000 1.009 94 R CA -0.916 55.151 56.100 -0.055 0.000 1.099 94 R CB -0.390 29.897 30.300 -0.022 0.000 0.965 94 R HN 0.367 nan 8.270 nan 0.000 0.428 95 P HA -0.012 nan 4.420 nan 0.000 0.271 95 P C -0.389 176.863 177.300 -0.080 0.000 1.216 95 P CA -0.112 62.870 63.100 -0.196 0.000 0.776 95 P CB 0.876 32.146 31.700 -0.716 0.000 0.881 96 Q N 3.155 122.938 119.800 -0.028 0.000 2.033 96 Q HA -0.108 4.232 4.340 -0.000 0.000 0.196 96 Q C 0.783 176.795 176.000 0.019 0.000 0.970 96 Q CA 1.044 56.848 55.803 0.002 0.000 0.828 96 Q CB -0.112 28.634 28.738 0.013 0.000 0.895 96 Q HN 0.466 nan 8.270 nan 0.000 0.440 97 N N 0.174 118.896 118.700 0.036 0.000 2.843 97 N HA 0.012 4.752 4.740 -0.000 0.000 0.284 97 N C -1.361 174.210 175.510 0.102 0.000 1.274 97 N CA 0.008 53.091 53.050 0.056 0.000 1.045 97 N CB -0.124 38.404 38.487 0.069 0.000 1.370 97 N HN 0.073 nan 8.380 nan 0.000 0.525 98 F N 0.877 120.740 119.950 -0.146 0.000 2.536 98 F HA 0.274 4.801 4.527 -0.000 0.000 0.322 98 F C -1.003 174.726 175.800 -0.118 0.000 1.144 98 F CA -1.434 56.454 58.000 -0.187 0.000 0.924 98 F CB 1.695 40.444 39.000 -0.418 0.000 1.181 98 F HN -0.067 nan 8.300 nan 0.000 0.438 99 D N 4.537 124.650 120.400 -0.479 0.000 2.412 99 D HA 0.173 4.812 4.640 -0.000 0.000 0.224 99 D C 0.713 176.731 176.300 -0.470 0.000 1.093 99 D CA 0.083 53.882 54.000 -0.335 0.000 0.850 99 D CB 0.867 41.530 40.800 -0.230 0.000 1.046 99 D HN 0.689 nan 8.370 nan 0.000 0.507 100 E N 1.258 121.309 120.200 -0.248 0.000 2.338 100 E HA -0.136 4.214 4.350 -0.000 0.000 0.197 100 E C 1.563 178.097 176.600 -0.110 0.000 1.007 100 E CA 0.756 57.075 56.400 -0.135 0.000 0.849 100 E CB 0.212 29.938 29.700 0.042 0.000 0.774 100 E HN 0.568 nan 8.360 nan 0.000 0.506 101 S N 0.710 116.342 115.700 -0.114 0.000 2.461 101 S HA -0.073 4.396 4.470 -0.000 0.000 0.228 101 S C 1.036 175.579 174.600 -0.096 0.000 1.005 101 S CA 0.145 58.295 58.200 -0.084 0.000 0.942 101 S CB -0.031 63.127 63.200 -0.071 0.000 0.776 101 S HN -0.053 nan 8.310 nan 0.000 0.514 102 K N 2.096 122.410 120.400 -0.144 0.000 2.451 102 K HA 0.076 4.396 4.320 -0.000 0.000 0.280 102 K C 1.255 177.810 176.600 -0.074 0.000 1.020 102 K CA -0.005 56.207 56.287 -0.125 0.000 1.008 102 K CB 0.476 32.863 32.500 -0.190 0.000 0.917 102 K HN 0.345 nan 8.250 nan 0.000 0.478 103 Q N 2.229 122.010 119.800 -0.033 0.000 2.083 103 Q HA -0.090 4.250 4.340 -0.000 0.000 0.198 103 Q C -0.460 175.616 176.000 0.126 0.000 0.969 103 Q CA 1.220 57.034 55.803 0.019 0.000 0.838 103 Q CB 0.393 29.115 28.738 -0.026 0.000 0.900 103 Q HN 0.632 nan 8.270 nan 0.000 0.436 104 D N -0.280 120.179 120.400 0.099 0.000 2.181 104 D HA 0.271 4.911 4.640 -0.000 0.000 0.248 104 D C -1.154 175.190 176.300 0.072 0.000 1.020 104 D CA -0.345 53.734 54.000 0.131 0.000 0.891 104 D CB 2.156 43.023 40.800 0.113 0.000 1.187 104 D HN -0.126 nan 8.370 nan 0.000 0.443 105 V N 1.853 121.823 119.914 0.094 0.000 2.276 105 V HA 0.113 4.232 4.120 -0.000 0.000 0.268 105 V C 1.332 177.477 176.094 0.085 0.000 1.032 105 V CA -0.486 61.891 62.300 0.128 0.000 0.810 105 V CB 0.691 32.655 31.823 0.234 0.000 1.060 105 V HN 0.737 nan 8.190 nan 0.000 0.446 106 T N -0.247 114.343 114.554 0.060 0.000 3.085 106 T HA 0.122 4.472 4.350 -0.000 0.000 0.263 106 T C 0.398 175.120 174.700 0.037 0.000 1.127 106 T CA 0.761 62.880 62.100 0.031 0.000 1.103 106 T CB -0.017 68.862 68.868 0.019 0.000 0.921 106 T HN 0.842 nan 8.240 nan 0.000 0.510 107 E N -0.829 119.415 120.200 0.073 0.000 2.389 107 E HA 0.518 4.868 4.350 -0.000 0.000 0.281 107 E C -2.230 174.439 176.600 0.115 0.000 1.072 107 E CA -1.208 55.231 56.400 0.066 0.000 0.845 107 E CB 1.400 31.125 29.700 0.043 0.000 1.239 107 E HN -0.024 nan 8.360 nan 0.000 0.434 108 V N 1.842 121.794 119.914 0.064 0.000 2.482 108 V HA 0.223 4.343 4.120 -0.000 0.000 0.295 108 V C -0.439 175.649 176.094 -0.010 0.000 1.026 108 V CA -0.764 61.569 62.300 0.054 0.000 0.856 108 V CB 1.412 33.185 31.823 -0.082 0.000 1.001 108 V HN 0.787 nan 8.190 nan 0.000 0.424 109 E N 6.188 126.406 120.200 0.030 0.000 2.351 109 E HA 0.326 4.676 4.350 -0.000 0.000 0.266 109 E C -0.951 175.607 176.600 -0.069 0.000 1.031 109 E CA -0.107 56.289 56.400 -0.007 0.000 0.911 109 E CB 0.734 30.451 29.700 0.028 0.000 0.986 109 E HN 0.412 nan 8.360 nan 0.000 0.446 110 I N 4.038 124.551 120.570 -0.094 0.000 2.478 110 I HA 0.305 4.475 4.170 -0.000 0.000 0.287 110 I C -0.845 175.190 176.117 -0.136 0.000 1.042 110 I CA -0.900 60.315 61.300 -0.143 0.000 1.067 110 I CB 0.704 38.599 38.000 -0.175 0.000 1.233 110 I HN 0.765 nan 8.210 nan 0.000 0.431 111 N N 2.837 121.443 118.700 -0.156 0.000 2.732 111 N HA 0.257 4.996 4.740 -0.000 0.000 0.259 111 N C 0.338 175.716 175.510 -0.219 0.000 1.402 111 N CA -0.882 52.079 53.050 -0.148 0.000 0.829 111 N CB 1.266 39.700 38.487 -0.088 0.000 1.495 111 N HN 0.456 nan 8.380 nan 0.000 0.511 112 E N -0.109 119.972 120.200 -0.198 0.000 2.097 112 E HA -0.279 4.071 4.350 -0.000 0.000 0.196 112 E C 0.613 177.093 176.600 -0.200 0.000 1.000 112 E CA 1.644 57.896 56.400 -0.246 0.000 0.804 112 E CB -0.112 29.540 29.700 -0.079 0.000 0.740 112 E HN 0.532 nan 8.360 nan 0.000 0.454 113 N N 0.555 119.192 118.700 -0.104 0.000 2.104 113 N HA -0.170 4.570 4.740 -0.000 0.000 0.190 113 N C 1.664 177.131 175.510 -0.071 0.000 1.024 113 N CA 1.058 54.075 53.050 -0.056 0.000 0.853 113 N CB -0.237 38.235 38.487 -0.026 0.000 1.008 113 N HN 0.253 nan 8.380 nan 0.000 0.424 114 E N 1.247 121.385 120.200 -0.104 0.000 2.051 114 E HA -0.073 4.277 4.350 -0.000 0.000 0.192 114 E C 2.344 178.866 176.600 -0.130 0.000 0.991 114 E CA 0.452 56.795 56.400 -0.095 0.000 0.799 114 E CB -0.321 29.312 29.700 -0.110 0.000 0.748 114 E HN 0.381 nan 8.360 nan 0.000 0.449 115 L N 0.955 122.006 121.223 -0.287 0.000 2.046 115 L HA -0.192 4.147 4.340 -0.000 0.000 0.208 115 L C 2.482 179.232 176.870 -0.200 0.000 1.077 115 L CA 1.056 55.639 54.840 -0.429 0.000 0.747 115 L CB -0.408 40.900 42.059 -1.252 0.000 0.896 115 L HN 0.010 nan 8.230 nan 0.000 0.432 116 K N 0.133 120.452 120.400 -0.134 0.000 2.057 116 K HA -0.205 4.115 4.320 -0.000 0.000 0.207 116 K C 2.170 178.868 176.600 0.164 0.000 1.049 116 K CA 1.374 57.743 56.287 0.137 0.000 0.931 116 K CB -0.344 32.224 32.500 0.113 0.000 0.714 116 K HN 0.242 nan 8.250 nan 0.000 0.440 117 R N 0.951 121.511 120.500 0.101 0.000 2.090 117 R HA 0.032 4.372 4.340 -0.000 0.000 0.228 117 R C 2.415 178.844 176.300 0.214 0.000 1.110 117 R CA 0.580 56.760 56.100 0.133 0.000 0.973 117 R CB -0.187 30.174 30.300 0.101 0.000 0.869 117 R HN 0.104 nan 8.270 nan 0.000 0.440 118 L N 0.772 122.096 121.223 0.167 0.000 2.046 118 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 118 L C 2.020 179.062 176.870 0.285 0.000 1.077 118 L CA 1.762 56.699 54.840 0.163 0.000 0.747 118 L CB -0.525 41.526 42.059 -0.014 0.000 0.896 118 L HN 0.405 nan 8.230 nan 0.000 0.432 119 D N 0.042 120.659 120.400 0.362 0.000 2.221 119 D HA -0.248 4.391 4.640 -0.000 0.000 0.204 119 D C 1.677 178.169 176.300 0.319 0.000 0.982 119 D CA 1.187 55.487 54.000 0.500 0.000 0.857 119 D CB 0.168 41.381 40.800 0.689 0.000 0.934 119 D HN 0.522 nan 8.370 nan 0.000 0.475 120 E N -1.196 119.138 120.200 0.224 0.000 2.274 120 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 120 E C 1.349 177.935 176.600 -0.023 0.000 0.996 120 E CA 0.522 56.954 56.400 0.054 0.000 0.840 120 E CB 0.014 29.672 29.700 -0.071 0.000 0.772 120 E HN 0.485 nan 8.360 nan 0.000 0.491 121 Y N 0.275 120.676 120.300 0.168 0.000 2.500 121 Y HA 0.207 4.757 4.550 -0.000 0.000 0.270 121 Y C 1.015 177.034 175.900 0.198 0.000 1.134 121 Y CA -0.159 58.053 58.100 0.187 0.000 1.293 121 Y CB 0.320 38.908 38.460 0.214 0.000 1.063 121 Y HN -0.101 nan 8.280 nan 0.000 0.534 122 A N 0.958 123.931 122.820 0.254 0.000 2.445 122 A HA 0.062 4.382 4.320 -0.000 0.000 0.242 122 A C 0.296 177.876 177.584 -0.006 0.000 1.075 122 A CA -0.379 51.578 52.037 -0.133 0.000 0.777 122 A CB -0.013 18.929 19.000 -0.097 0.000 1.013 122 A HN 0.309 nan 8.150 nan 0.000 0.493 123 N N 1.407 120.083 118.700 -0.039 0.000 2.482 123 N HA 0.046 4.786 4.740 -0.000 0.000 0.242 123 N C 0.615 176.192 175.510 0.113 0.000 1.100 123 N CA -0.326 52.761 53.050 0.062 0.000 0.946 123 N CB 0.631 39.170 38.487 0.087 0.000 1.227 123 N HN 0.476 nan 8.380 nan 0.000 0.508 124 K N 2.252 122.715 120.400 0.105 0.000 2.152 124 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 124 K C 0.759 177.435 176.600 0.127 0.000 1.048 124 K CA 1.076 57.432 56.287 0.115 0.000 0.933 124 K CB 0.059 32.608 32.500 0.082 0.000 0.721 124 K HN 0.561 nan 8.250 nan 0.000 0.447 125 D N 0.808 121.280 120.400 0.119 0.000 2.097 125 D HA -0.120 4.520 4.640 -0.000 0.000 0.195 125 D C 1.853 178.271 176.300 0.195 0.000 0.989 125 D CA 1.548 55.624 54.000 0.126 0.000 0.827 125 D CB -0.101 40.761 40.800 0.103 0.000 0.966 125 D HN 0.162 nan 8.370 nan 0.000 0.456 126 A N 0.767 123.739 122.820 0.253 0.000 1.902 126 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 126 A C 2.194 180.052 177.584 0.456 0.000 1.181 126 A CA 0.930 53.206 52.037 0.398 0.000 0.623 126 A CB -0.759 18.478 19.000 0.394 0.000 0.818 126 A HN 0.201 nan 8.150 nan 0.000 0.443 127 L N 0.689 122.158 121.223 0.410 0.000 2.042 127 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 127 L C 1.941 179.021 176.870 0.352 0.000 1.076 127 L CA 2.335 57.453 54.840 0.465 0.000 0.749 127 L CB -0.859 41.383 42.059 0.306 0.000 0.893 127 L HN 0.513 nan 8.230 nan 0.000 0.432 128 N N -2.263 116.554 118.700 0.194 0.000 2.188 128 N HA -0.223 4.517 4.740 -0.000 0.000 0.184 128 N C 1.851 177.372 175.510 0.017 0.000 1.018 128 N CA 0.837 53.943 53.050 0.092 0.000 0.858 128 N CB -0.239 38.283 38.487 0.059 0.000 0.989 128 N HN 0.481 nan 8.380 nan 0.000 0.426 129 H N -0.074 118.924 119.070 -0.120 0.000 2.357 129 H HA -0.112 4.443 4.556 -0.000 0.000 0.301 129 H C 1.460 176.423 175.328 -0.607 0.000 1.082 129 H CA 1.464 57.257 56.048 -0.426 0.000 1.342 129 H CB 0.062 29.454 29.762 -0.616 0.000 1.389 129 H HN 0.274 nan 8.280 nan 0.000 0.511 130 Y N 1.192 121.267 120.300 -0.375 0.000 2.181 130 Y HA -0.199 4.350 4.550 -0.000 0.000 0.288 130 Y C 3.052 178.453 175.900 -0.832 0.000 1.146 130 Y CA 1.754 59.420 58.100 -0.723 0.000 1.164 130 Y CB -0.414 37.839 38.460 -0.346 0.000 0.982 130 Y HN 0.169 nan 8.280 nan 0.000 0.515 131 R N 0.580 121.095 120.500 0.026 0.000 2.105 131 R HA -0.189 4.151 4.340 -0.000 0.000 0.239 131 R C 1.974 178.208 176.300 -0.111 0.000 1.135 131 R CA 1.949 58.156 56.100 0.178 0.000 0.967 131 R CB -0.226 30.204 30.300 0.217 0.000 0.861 131 R HN 0.402 nan 8.270 nan 0.000 0.442 132 E N 0.231 120.249 120.200 -0.303 0.000 2.072 132 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 132 E C 2.074 178.380 176.600 -0.490 0.000 0.985 132 E CA 1.526 57.719 56.400 -0.345 0.000 0.801 132 E CB -0.093 29.357 29.700 -0.417 0.000 0.750 132 E HN 0.423 nan 8.360 nan 0.000 0.452 133 I N 0.548 120.547 120.570 -0.952 0.000 2.179 133 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 133 I C 2.026 177.982 176.117 -0.269 0.000 1.088 133 I CA 1.055 61.743 61.300 -1.019 0.000 1.357 133 I CB -0.242 36.992 38.000 -1.276 0.000 1.051 133 I HN 0.063 nan 8.210 nan 0.000 0.409 134 F N 1.179 120.967 119.950 -0.270 0.000 2.234 134 F HA -0.106 4.421 4.527 -0.000 0.000 0.299 134 F C 2.408 178.071 175.800 -0.230 0.000 1.087 134 F CA 0.893 58.682 58.000 -0.351 0.000 1.340 134 F CB -1.056 37.741 39.000 -0.338 0.000 1.031 134 F HN -0.032 nan 8.300 nan 0.000 0.500 135 K N 0.045 120.472 120.400 0.044 0.000 2.057 135 K HA -0.187 4.132 4.320 -0.000 0.000 0.206 135 K C 1.990 178.610 176.600 0.034 0.000 1.050 135 K CA 1.455 57.761 56.287 0.032 0.000 0.935 135 K CB -0.407 32.105 32.500 0.020 0.000 0.715 135 K HN 0.250 nan 8.250 nan 0.000 0.439 136 D N 1.132 121.576 120.400 0.074 0.000 2.117 136 D HA -0.171 4.469 4.640 -0.000 0.000 0.197 136 D C 2.032 178.406 176.300 0.123 0.000 0.987 136 D CA 0.784 54.884 54.000 0.167 0.000 0.829 136 D CB 0.184 41.201 40.800 0.361 0.000 0.961 136 D HN 0.016 nan 8.370 nan 0.000 0.460 137 L N 1.480 122.703 121.223 -0.001 0.000 2.017 137 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 137 L C 2.311 179.098 176.870 -0.138 0.000 1.073 137 L CA 1.708 56.385 54.840 -0.271 0.000 0.745 137 L CB -0.405 41.385 42.059 -0.448 0.000 0.894 137 L HN -0.147 nan 8.230 nan 0.000 0.432 138 K N -0.340 119.996 120.400 -0.106 0.000 2.097 138 K HA -0.061 4.259 4.320 -0.000 0.000 0.205 138 K C 2.183 178.781 176.600 -0.003 0.000 1.050 138 K CA 1.392 57.648 56.287 -0.051 0.000 0.938 138 K CB -0.540 31.939 32.500 -0.036 0.000 0.718 138 K HN 0.615 nan 8.250 nan 0.000 0.442 139 S N 0.962 116.669 115.700 0.012 0.000 2.469 139 S HA -0.087 4.383 4.470 -0.000 0.000 0.238 139 S C 1.619 176.241 174.600 0.037 0.000 0.998 139 S CA 0.678 58.895 58.200 0.028 0.000 0.957 139 S CB -0.174 63.047 63.200 0.036 0.000 0.764 139 S HN 0.252 nan 8.310 nan 0.000 0.514 140 R N 0.538 121.061 120.500 0.039 0.000 2.388 140 R HA 0.310 4.650 4.340 -0.000 0.000 0.247 140 R C 1.449 177.782 176.300 0.056 0.000 0.931 140 R CA 0.338 56.472 56.100 0.055 0.000 1.082 140 R CB -0.125 30.221 30.300 0.077 0.000 1.135 140 R HN 0.545 nan 8.270 nan 0.000 0.525 141 G N 1.287 110.115 108.800 0.045 0.000 2.162 141 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.260 141 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.260 141 G C 0.082 175.027 174.900 0.074 0.000 0.976 141 G CA -0.113 45.021 45.100 0.057 0.000 0.655 141 G HN 0.204 nan 8.290 nan 0.000 0.533 142 L N 0.073 121.334 121.223 0.062 0.000 2.331 142 L HA 0.460 4.800 4.340 -0.000 0.000 0.278 142 L C 0.958 177.884 176.870 0.093 0.000 1.106 142 L CA -1.233 53.657 54.840 0.084 0.000 0.824 142 L CB 0.566 42.662 42.059 0.062 0.000 1.142 142 L HN 0.195 nan 8.230 nan 0.000 0.443 143 Y N 3.528 123.814 120.300 -0.024 0.000 2.497 143 Y HA 0.131 4.681 4.550 -0.000 0.000 0.334 143 Y C -0.491 175.394 175.900 -0.025 0.000 1.199 143 Y CA 0.132 58.204 58.100 -0.047 0.000 1.425 143 Y CB 0.572 38.976 38.460 -0.093 0.000 1.291 143 Y HN 0.351 nan 8.280 nan 0.000 0.562 144 F N 7.332 126.966 119.950 -0.526 0.000 2.499 144 F HA 0.499 5.026 4.527 -0.000 0.000 0.333 144 F C -1.413 174.063 175.800 -0.539 0.000 1.138 144 F CA -1.873 55.843 58.000 -0.473 0.000 0.945 144 F CB 0.498 39.240 39.000 -0.429 0.000 1.181 144 F HN 0.313 nan 8.300 nan 0.000 0.435 145 I N 5.708 125.898 120.570 -0.633 0.000 2.307 145 I HA 0.206 4.376 4.170 -0.000 0.000 0.289 145 I C -0.581 174.985 176.117 -0.918 0.000 1.021 145 I CA -0.833 60.057 61.300 -0.682 0.000 1.224 145 I CB 1.461 39.234 38.000 -0.379 0.000 1.376 145 I HN 0.504 nan 8.210 nan 0.000 0.470 146 Q N 6.313 125.476 119.800 -1.062 0.000 2.322 146 Q HA 0.210 4.550 4.340 -0.000 0.000 0.256 146 Q C -0.687 175.204 176.000 -0.182 0.000 0.960 146 Q CA -0.134 55.170 55.803 -0.832 0.000 0.934 146 Q CB 0.783 29.021 28.738 -0.834 0.000 1.200 146 Q HN 0.570 nan 8.270 nan 0.000 0.435 147 N N 3.880 122.559 118.700 -0.035 0.000 2.421 147 N HA 0.193 4.933 4.740 -0.000 0.000 0.285 147 N C 0.235 175.889 175.510 0.239 0.000 1.027 147 N CA -0.329 52.812 53.050 0.153 0.000 0.918 147 N CB 0.748 39.352 38.487 0.194 0.000 1.152 147 N HN 0.636 nan 8.380 nan 0.000 0.485 148 M N 1.557 121.353 119.600 0.327 0.000 2.388 148 M HA 0.074 4.553 4.480 -0.000 0.000 0.265 148 M C -0.414 176.352 176.300 0.776 0.000 1.088 148 M CA 0.745 56.318 55.300 0.456 0.000 1.134 148 M CB -0.793 32.013 32.600 0.342 0.000 1.384 148 M HN 0.612 nan 8.290 nan 0.000 0.447 149 Y N -0.432 120.195 120.300 0.544 0.000 2.441 149 Y HA 0.353 4.903 4.550 -0.000 0.000 0.334 149 Y C -0.976 175.188 175.900 0.440 0.000 1.061 149 Y CA -1.387 57.044 58.100 0.553 0.000 1.032 149 Y CB 0.914 39.695 38.460 0.535 0.000 1.266 149 Y HN 0.209 nan 8.280 nan 0.000 0.441 150 H N 6.679 125.627 119.070 -0.202 0.000 2.624 150 H HA 0.264 4.820 4.556 -0.000 0.000 0.233 150 H C -0.749 174.343 175.328 -0.393 0.000 1.376 150 H CA -0.200 55.638 56.048 -0.350 0.000 1.137 150 H CB 0.043 29.743 29.762 -0.104 0.000 1.867 150 H HN 0.795 nan 8.280 nan 0.000 0.547 151 W N -2.825 117.904 121.300 -0.953 0.000 0.269 151 W HA -0.215 4.444 4.660 -0.000 0.000 0.213 151 W C -2.176 174.480 176.519 0.227 0.000 0.912 151 W CA 0.465 57.586 57.345 -0.373 0.000 0.324 151 W CB -2.663 26.546 29.460 -0.419 0.000 1.905 151 W HN 0.368 nan 8.180 nan 0.000 1.110 152 P HA 0.270 nan 4.420 nan 0.000 0.268 152 P C 0.087 177.684 177.300 0.495 0.000 1.204 152 P CA 0.721 64.111 63.100 0.482 0.000 0.768 152 P CB 0.278 32.109 31.700 0.217 0.000 0.842 153 L N 5.479 126.864 121.223 0.269 0.000 2.346 153 L HA 0.498 4.838 4.340 -0.000 0.000 0.274 153 L C -2.137 174.576 176.870 -0.263 0.000 1.007 153 L CA -2.739 52.061 54.840 -0.067 0.000 0.818 153 L CB 2.211 44.131 42.059 -0.231 0.000 1.284 153 L HN 0.197 nan 8.230 nan 0.000 0.424 154 P HA 0.005 nan 4.420 nan 0.000 0.266 154 P C 0.885 177.883 177.300 -0.504 0.000 1.195 154 P CA -0.044 62.733 63.100 -0.539 0.000 0.768 154 P CB 1.023 32.203 31.700 -0.866 0.000 0.838 155 L N 2.454 123.554 121.223 -0.205 0.000 2.129 155 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 155 L C 2.299 179.110 176.870 -0.098 0.000 1.087 155 L CA 1.515 56.287 54.840 -0.114 0.000 0.757 155 L CB -0.705 41.353 42.059 -0.001 0.000 0.896 155 L HN 0.613 nan 8.230 nan 0.000 0.434 156 W N -0.997 120.232 121.300 -0.118 0.000 2.848 156 W HA -0.054 4.606 4.660 -0.000 0.000 0.241 156 W C 1.159 177.594 176.519 -0.139 0.000 1.289 156 W CA 0.237 57.517 57.345 -0.108 0.000 1.396 156 W CB -0.572 28.830 29.460 -0.096 0.000 1.138 156 W HN 0.213 nan 8.180 nan 0.000 0.677 157 L N -0.462 120.382 121.223 -0.632 0.000 2.701 157 L HA 0.282 4.622 4.340 -0.000 0.000 0.238 157 L C 0.096 176.779 176.870 -0.313 0.000 1.106 157 L CA 0.377 54.831 54.840 -0.642 0.000 0.898 157 L CB 0.011 41.365 42.059 -1.174 0.000 1.188 157 L HN 0.005 nan 8.230 nan 0.000 0.508 158 H N -0.004 118.858 119.070 -0.347 0.000 3.235 158 H HA 0.082 4.637 4.556 -0.000 0.000 0.324 158 H C -1.677 173.568 175.328 -0.139 0.000 1.059 158 H CA -0.565 55.344 56.048 -0.231 0.000 1.497 158 H CB 1.613 31.208 29.762 -0.278 0.000 1.986 158 H HN -0.138 nan 8.280 nan 0.000 0.444 159 D N 7.864 128.184 120.400 -0.133 0.000 2.467 159 D HA 0.127 4.766 4.640 -0.000 0.000 0.220 159 D C -1.544 174.566 176.300 -0.317 0.000 1.103 159 D CA -2.446 51.440 54.000 -0.190 0.000 0.886 159 D CB 1.751 42.510 40.800 -0.067 0.000 1.025 159 D HN 0.358 nan 8.370 nan 0.000 0.514 160 P HA -0.168 nan 4.420 nan 0.000 0.216 160 P C 1.637 178.942 177.300 0.009 0.000 1.150 160 P CA 0.567 63.419 63.100 -0.413 0.000 0.837 160 P CB 0.536 32.004 31.700 -0.386 0.000 0.786 161 I N 0.042 120.636 120.570 0.041 0.000 2.252 161 I HA -0.124 4.045 4.170 -0.000 0.000 0.245 161 I C 2.871 178.981 176.117 -0.010 0.000 1.102 161 I CA 1.071 62.398 61.300 0.045 0.000 1.385 161 I CB -1.643 36.352 38.000 -0.007 0.000 1.064 161 I HN -0.032 nan 8.210 nan 0.000 0.414 162 R N 0.752 121.222 120.500 -0.051 0.000 2.080 162 R HA -0.143 4.197 4.340 -0.000 0.000 0.236 162 R C 2.416 178.616 176.300 -0.167 0.000 1.137 162 R CA 1.693 57.740 56.100 -0.089 0.000 0.943 162 R CB -0.205 30.048 30.300 -0.079 0.000 0.846 162 R HN 0.162 nan 8.270 nan 0.000 0.431 163 V N 1.183 120.996 119.914 -0.168 0.000 2.407 163 V HA -0.237 3.882 4.120 -0.000 0.000 0.248 163 V C 2.541 178.521 176.094 -0.191 0.000 1.055 163 V CA 1.821 63.928 62.300 -0.323 0.000 1.049 163 V CB -0.707 31.081 31.823 -0.058 0.000 0.662 163 V HN 0.385 nan 8.190 nan 0.000 0.455 164 R N 0.741 121.263 120.500 0.037 0.000 2.127 164 R HA -0.143 4.196 4.340 -0.000 0.000 0.238 164 R C 2.219 178.607 176.300 0.146 0.000 1.134 164 R CA 1.558 57.770 56.100 0.186 0.000 0.975 164 R CB -0.217 30.234 30.300 0.252 0.000 0.865 164 R HN 0.447 nan 8.270 nan 0.000 0.447 165 R N -1.056 119.456 120.500 0.020 0.000 2.323 165 R HA 0.037 4.376 4.340 -0.000 0.000 0.198 165 R C 1.046 177.341 176.300 -0.008 0.000 0.988 165 R CA 0.587 56.691 56.100 0.005 0.000 1.041 165 R CB 0.206 30.486 30.300 -0.033 0.000 0.926 165 R HN 0.528 nan 8.270 nan 0.000 0.476 166 G N 1.495 110.230 108.800 -0.109 0.000 2.157 166 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.239 166 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.239 166 G C -0.480 174.144 174.900 -0.460 0.000 0.982 166 G CA 0.113 45.101 45.100 -0.186 0.000 0.650 166 G HN 0.405 nan 8.290 nan 0.000 0.527 167 D N -0.175 119.922 120.400 -0.506 0.000 2.359 167 D HA 0.563 5.203 4.640 -0.000 0.000 0.230 167 D C 0.432 176.409 176.300 -0.538 0.000 1.118 167 D CA -0.863 52.927 54.000 -0.350 0.000 0.844 167 D CB -0.020 40.677 40.800 -0.172 0.000 1.059 167 D HN 0.032 nan 8.370 nan 0.000 0.493 168 F N 1.672 121.589 119.950 -0.054 0.000 2.750 168 F HA 0.129 4.656 4.527 -0.000 0.000 0.297 168 F C 2.035 177.817 175.800 -0.029 0.000 1.138 168 F CA -0.201 57.764 58.000 -0.058 0.000 1.346 168 F CB 0.337 39.282 39.000 -0.091 0.000 0.965 168 F HN 0.379 nan 8.300 nan 0.000 0.514 169 T N -3.341 111.258 114.554 0.075 0.000 3.107 169 T HA 0.395 4.745 4.350 -0.000 0.000 0.249 169 T C 1.073 175.798 174.700 0.043 0.000 1.096 169 T CA 0.313 62.449 62.100 0.059 0.000 1.012 169 T CB 0.038 68.928 68.868 0.036 0.000 0.977 169 T HN 0.187 nan 8.240 nan 0.000 0.527 170 G N 1.442 110.262 108.800 0.034 0.000 2.971 170 G HA2 0.624 4.584 3.960 -0.000 0.000 0.235 170 G HA3 0.624 4.584 3.960 -0.000 0.000 0.235 170 G C -2.841 172.086 174.900 0.045 0.000 1.351 170 G CA -1.940 43.178 45.100 0.031 0.000 1.039 170 G HN 0.079 nan 8.290 nan 0.000 0.563 171 P HA 0.145 nan 4.420 nan 0.000 0.264 171 P C 0.344 177.690 177.300 0.076 0.000 1.229 171 P CA 0.202 63.319 63.100 0.029 0.000 0.780 171 P CB 0.886 32.591 31.700 0.008 0.000 0.808 172 S N 2.149 117.874 115.700 0.041 0.000 2.583 172 S HA 0.409 4.878 4.470 -0.000 0.000 0.239 172 S C 1.247 175.716 174.600 -0.219 0.000 0.966 172 S CA -0.061 58.174 58.200 0.057 0.000 0.973 172 S CB -0.768 62.499 63.200 0.112 0.000 0.794 172 S HN 0.638 nan 8.310 nan 0.000 0.463 173 G N 2.080 110.634 108.800 -0.410 0.000 2.634 173 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.309 173 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.309 173 G C 0.323 174.898 174.900 -0.543 0.000 1.265 173 G CA 0.412 45.055 45.100 -0.761 0.000 0.998 173 G HN 0.618 nan 8.290 nan 0.000 0.551 174 W N 0.966 122.126 121.300 -0.233 0.000 2.848 174 W HA 0.362 5.022 4.660 -0.000 0.000 0.241 174 W C 2.310 178.779 176.519 -0.084 0.000 1.289 174 W CA 0.108 57.388 57.345 -0.108 0.000 1.396 174 W CB -0.163 29.263 29.460 -0.056 0.000 1.138 174 W HN 0.258 nan 8.180 nan 0.000 0.677 175 L N -0.433 120.816 121.223 0.043 0.000 2.509 175 L HA 0.090 4.430 4.340 -0.000 0.000 0.222 175 L C 1.243 178.130 176.870 0.028 0.000 1.123 175 L CA 0.362 55.206 54.840 0.006 0.000 0.856 175 L CB -0.254 41.796 42.059 -0.015 0.000 0.985 175 L HN -0.254 nan 8.230 nan 0.000 0.456 176 S N -0.782 114.937 115.700 0.031 0.000 2.454 176 S HA 0.205 4.675 4.470 -0.000 0.000 0.306 176 S C 1.196 175.877 174.600 0.135 0.000 1.100 176 S CA -0.437 57.799 58.200 0.060 0.000 1.087 176 S CB 1.433 64.646 63.200 0.021 0.000 1.019 176 S HN 0.311 nan 8.310 nan 0.000 0.480 177 T N 2.625 117.303 114.554 0.207 0.000 3.007 177 T HA -0.065 4.285 4.350 -0.000 0.000 0.270 177 T C 1.734 176.699 174.700 0.441 0.000 1.107 177 T CA 0.733 63.037 62.100 0.341 0.000 1.118 177 T CB -0.261 68.802 68.868 0.324 0.000 0.889 177 T HN 0.563 nan 8.240 nan 0.000 0.506 178 R N 1.778 122.469 120.500 0.317 0.000 2.096 178 R HA -0.032 4.308 4.340 -0.000 0.000 0.235 178 R C 2.241 178.589 176.300 0.081 0.000 1.127 178 R CA 2.029 58.215 56.100 0.143 0.000 0.968 178 R CB -1.410 28.947 30.300 0.095 0.000 0.861 178 R HN 0.415 nan 8.270 nan 0.000 0.440 179 T N -0.144 114.420 114.554 0.016 0.000 2.777 179 T HA -0.063 4.286 4.350 -0.000 0.000 0.266 179 T C 1.787 176.557 174.700 0.117 0.000 1.040 179 T CA 1.413 63.442 62.100 -0.119 0.000 1.141 179 T CB -0.243 68.325 68.868 -0.499 0.000 0.868 179 T HN 0.020 nan 8.240 nan 0.000 0.444 180 V N 0.668 120.740 119.914 0.263 0.000 2.261 180 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 180 V C 2.006 178.294 176.094 0.325 0.000 1.047 180 V CA 1.792 64.341 62.300 0.415 0.000 1.015 180 V CB -0.740 31.319 31.823 0.393 0.000 0.642 180 V HN 0.523 nan 8.190 nan 0.000 0.446 181 Y N 1.276 121.626 120.300 0.082 0.000 2.097 181 Y HA -0.251 4.298 4.550 -0.000 0.000 0.282 181 Y C 2.655 178.519 175.900 -0.061 0.000 1.152 181 Y CA 2.165 60.188 58.100 -0.129 0.000 1.136 181 Y CB -0.135 37.848 38.460 -0.794 0.000 0.975 181 Y HN 0.235 nan 8.280 nan 0.000 0.498 182 E N -0.330 119.942 120.200 0.119 0.000 2.150 182 E HA -0.202 4.147 4.350 -0.000 0.000 0.193 182 E C 2.027 178.708 176.600 0.135 0.000 0.985 182 E CA 1.062 57.556 56.400 0.157 0.000 0.814 182 E CB -0.734 29.211 29.700 0.409 0.000 0.752 182 E HN 0.584 nan 8.360 nan 0.000 0.466 183 F N 1.613 121.576 119.950 0.021 0.000 2.186 183 F HA -0.069 4.458 4.527 -0.000 0.000 0.299 183 F C 2.191 177.894 175.800 -0.161 0.000 1.090 183 F CA 1.123 58.978 58.000 -0.243 0.000 1.307 183 F CB -0.355 38.667 39.000 0.037 0.000 1.019 183 F HN -0.030 nan 8.300 nan 0.000 0.489 184 A N 0.861 123.554 122.820 -0.212 0.000 1.877 184 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 184 A C 2.364 179.718 177.584 -0.383 0.000 1.186 184 A CA 1.865 53.706 52.037 -0.327 0.000 0.620 184 A CB -0.745 18.134 19.000 -0.202 0.000 0.822 184 A HN 0.447 nan 8.150 nan 0.000 0.443 185 R N -1.851 118.429 120.500 -0.366 0.000 2.073 185 R HA -0.123 4.217 4.340 -0.000 0.000 0.234 185 R C 2.040 178.206 176.300 -0.223 0.000 1.134 185 R CA 1.603 57.515 56.100 -0.315 0.000 0.952 185 R CB -0.601 29.482 30.300 -0.361 0.000 0.850 185 R HN 0.591 nan 8.270 nan 0.000 0.433 186 F N 1.727 121.426 119.950 -0.419 0.000 2.095 186 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 186 F C 2.160 177.792 175.800 -0.281 0.000 1.104 186 F CA 1.673 59.444 58.000 -0.383 0.000 1.232 186 F CB -0.406 38.053 39.000 -0.902 0.000 0.987 186 F HN -0.143 nan 8.300 nan 0.000 0.475 187 S N 0.670 115.942 115.700 -0.712 0.000 2.359 187 S HA -0.196 4.274 4.470 -0.000 0.000 0.224 187 S C 2.348 176.657 174.600 -0.484 0.000 1.035 187 S CA 1.220 58.986 58.200 -0.723 0.000 1.018 187 S CB -1.031 61.709 63.200 -0.765 0.000 0.876 187 S HN 0.577 nan 8.310 nan 0.000 0.448 188 A N 0.564 123.165 122.820 -0.366 0.000 1.902 188 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 188 A C 1.953 179.473 177.584 -0.107 0.000 1.181 188 A CA 1.694 53.580 52.037 -0.252 0.000 0.623 188 A CB -1.010 17.849 19.000 -0.235 0.000 0.818 188 A HN 0.575 nan 8.150 nan 0.000 0.443 189 Y N 1.176 121.377 120.300 -0.165 0.000 2.097 189 Y HA -0.222 4.327 4.550 -0.000 0.000 0.282 189 Y C 2.702 178.680 175.900 0.131 0.000 1.152 189 Y CA 2.462 60.603 58.100 0.068 0.000 1.136 189 Y CB -0.826 37.726 38.460 0.153 0.000 0.975 189 Y HN 0.301 nan 8.280 nan 0.000 0.498 190 T N 0.641 115.148 114.554 -0.078 0.000 2.746 190 T HA -0.207 4.142 4.350 -0.000 0.000 0.267 190 T C 2.076 176.832 174.700 0.093 0.000 1.039 190 T CA 1.529 63.630 62.100 0.001 0.000 1.142 190 T CB -0.785 68.000 68.868 -0.139 0.000 0.866 190 T HN 0.509 nan 8.240 nan 0.000 0.444 191 A N 0.284 123.072 122.820 -0.053 0.000 1.933 191 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 191 A C 2.022 179.653 177.584 0.078 0.000 1.175 191 A CA 1.418 53.437 52.037 -0.030 0.000 0.628 191 A CB -1.054 17.690 19.000 -0.427 0.000 0.814 191 A HN 0.701 nan 8.150 nan 0.000 0.444 192 W N 1.073 122.259 121.300 -0.191 0.000 2.374 192 W HA -0.099 4.561 4.660 -0.000 0.000 0.288 192 W C 1.716 178.091 176.519 -0.240 0.000 1.218 192 W CA 1.866 59.095 57.345 -0.193 0.000 1.245 192 W CB 0.138 29.472 29.460 -0.211 0.000 1.126 192 W HN 0.249 nan 8.180 nan 0.000 0.545 193 K N -1.622 118.558 120.400 -0.367 0.000 2.352 193 K HA 0.070 4.390 4.320 -0.000 0.000 0.194 193 K C 0.854 177.054 176.600 -0.667 0.000 1.038 193 K CA 0.430 56.293 56.287 -0.707 0.000 1.023 193 K CB -0.169 31.777 32.500 -0.923 0.000 0.840 193 K HN 0.113 nan 8.250 nan 0.000 0.519 194 F N 0.560 120.486 119.950 -0.041 0.000 2.706 194 F HA 0.121 4.648 4.527 -0.000 0.000 0.313 194 F C 1.400 177.232 175.800 0.052 0.000 1.096 194 F CA -0.553 57.480 58.000 0.054 0.000 1.219 194 F CB 0.279 39.369 39.000 0.149 0.000 1.051 194 F HN -0.089 nan 8.300 nan 0.000 0.568 195 D N 1.222 121.734 120.400 0.187 0.000 2.203 195 D HA -0.230 4.409 4.640 -0.000 0.000 0.199 195 D C 1.953 178.288 176.300 0.059 0.000 0.997 195 D CA 1.949 56.047 54.000 0.163 0.000 0.863 195 D CB -0.022 40.865 40.800 0.146 0.000 0.928 195 D HN 0.374 nan 8.370 nan 0.000 0.458 196 D N -0.297 120.128 120.400 0.040 0.000 2.264 196 D HA -0.158 4.482 4.640 -0.000 0.000 0.208 196 D C 1.989 178.311 176.300 0.037 0.000 0.966 196 D CA 0.594 54.605 54.000 0.019 0.000 0.864 196 D CB -0.295 40.503 40.800 -0.003 0.000 0.933 196 D HN 0.379 nan 8.370 nan 0.000 0.499 197 L N 0.315 121.595 121.223 0.096 0.000 2.515 197 L HA 0.155 4.495 4.340 -0.000 0.000 0.223 197 L C 0.748 177.673 176.870 0.092 0.000 1.079 197 L CA -0.086 54.828 54.840 0.124 0.000 0.857 197 L CB 0.603 42.815 42.059 0.254 0.000 1.050 197 L HN -0.178 nan 8.230 nan 0.000 0.476 198 V N 0.640 120.520 119.914 -0.057 0.000 2.649 198 V HA 0.050 4.170 4.120 -0.000 0.000 0.292 198 V C 0.537 176.353 176.094 -0.463 0.000 1.055 198 V CA -0.023 62.037 62.300 -0.399 0.000 1.023 198 V CB 1.670 33.017 31.823 -0.792 0.000 0.992 198 V HN 0.167 nan 8.190 nan 0.000 0.480 199 D N 1.697 121.719 120.400 -0.630 0.000 2.490 199 D HA 0.170 4.809 4.640 -0.000 0.000 0.244 199 D C 0.391 176.375 176.300 -0.526 0.000 0.979 199 D CA 0.670 54.283 54.000 -0.644 0.000 0.924 199 D CB 0.915 40.950 40.800 -1.275 0.000 1.075 199 D HN 0.669 nan 8.370 nan 0.000 0.488 200 E N -0.582 119.255 120.200 -0.605 0.000 2.356 200 E HA 0.348 4.698 4.350 -0.000 0.000 0.275 200 E C -1.371 175.023 176.600 -0.343 0.000 0.904 200 E CA -0.604 55.609 56.400 -0.312 0.000 0.757 200 E CB 2.283 31.895 29.700 -0.146 0.000 1.232 200 E HN -0.075 nan 8.360 nan 0.000 0.442 201 Y N 0.280 120.652 120.300 0.119 0.000 2.496 201 Y HA 0.522 5.072 4.550 -0.000 0.000 0.331 201 Y C 0.296 176.361 175.900 0.275 0.000 1.140 201 Y CA -0.604 57.548 58.100 0.086 0.000 1.166 201 Y CB 2.217 40.677 38.460 0.000 0.000 1.249 201 Y HN 0.319 nan 8.280 nan 0.000 0.479 202 S N -0.430 115.473 115.700 0.339 0.000 2.619 202 S HA 0.270 4.740 4.470 -0.000 0.000 0.280 202 S C 0.509 175.237 174.600 0.213 0.000 1.150 202 S CA -0.135 58.181 58.200 0.193 0.000 0.978 202 S CB 0.818 64.134 63.200 0.192 0.000 1.041 202 S HN 0.834 nan 8.310 nan 0.000 0.485 203 T N 2.506 117.197 114.554 0.230 0.000 2.770 203 T HA 0.144 4.494 4.350 -0.000 0.000 0.263 203 T C 0.948 175.959 174.700 0.519 0.000 1.039 203 T CA 1.164 63.486 62.100 0.371 0.000 1.142 203 T CB -0.541 68.619 68.868 0.488 0.000 0.868 203 T HN 0.806 nan 8.240 nan 0.000 0.435 204 M N -0.400 119.418 119.600 0.364 0.000 2.683 204 M HA 0.638 5.117 4.480 -0.000 0.000 0.274 204 M C -1.840 174.540 176.300 0.133 0.000 1.272 204 M CA -1.164 54.345 55.300 0.348 0.000 0.833 204 M CB 1.945 34.779 32.600 0.390 0.000 1.708 204 M HN -0.033 nan 8.290 nan 0.000 0.463 205 N N 0.244 118.955 118.700 0.019 0.000 2.392 205 N HA 0.294 5.034 4.740 -0.000 0.000 0.283 205 N C -1.237 174.236 175.510 -0.062 0.000 1.003 205 N CA -0.011 52.937 53.050 -0.170 0.000 0.892 205 N CB 1.185 39.277 38.487 -0.659 0.000 1.193 205 N HN 0.836 nan 8.380 nan 0.000 0.487 206 E N 1.858 122.012 120.200 -0.076 0.000 2.197 206 E HA -0.179 4.171 4.350 -0.000 0.000 0.184 206 E C -1.713 174.794 176.600 -0.155 0.000 1.439 206 E CA 0.096 56.421 56.400 -0.125 0.000 0.688 206 E CB -0.494 29.227 29.700 0.035 0.000 1.090 206 E HN 0.670 nan 8.360 nan 0.000 0.341 207 P HA -0.230 nan 4.420 nan 0.000 0.220 207 P C 1.057 178.178 177.300 -0.300 0.000 1.148 207 P CA 1.515 64.478 63.100 -0.228 0.000 0.803 207 P CB 0.042 31.628 31.700 -0.191 0.000 0.782 208 N N 0.533 118.949 118.700 -0.474 0.000 2.223 208 N HA -0.091 4.648 4.740 -0.000 0.000 0.185 208 N C 1.685 177.009 175.510 -0.310 0.000 1.016 208 N CA 1.087 53.920 53.050 -0.362 0.000 0.863 208 N CB -1.685 36.447 38.487 -0.592 0.000 0.983 208 N HN 0.065 nan 8.380 nan 0.000 0.429 209 V N 0.976 120.653 119.914 -0.396 0.000 2.453 209 V HA -0.131 3.989 4.120 -0.000 0.000 0.247 209 V C 2.666 178.452 176.094 -0.513 0.000 1.048 209 V CA 0.883 62.912 62.300 -0.453 0.000 1.049 209 V CB -0.379 31.172 31.823 -0.452 0.000 0.672 209 V HN 0.107 nan 8.190 nan 0.000 0.457 210 V N 1.091 120.693 119.914 -0.520 0.000 2.255 210 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 210 V C 2.594 178.603 176.094 -0.141 0.000 1.051 210 V CA 2.490 64.545 62.300 -0.408 0.000 1.018 210 V CB -1.405 30.256 31.823 -0.270 0.000 0.641 210 V HN 0.605 nan 8.190 nan 0.000 0.445 211 G N -0.758 108.009 108.800 -0.055 0.000 2.430 211 G HA2 -0.010 3.949 3.960 -0.000 0.000 0.216 211 G HA3 -0.010 3.949 3.960 -0.000 0.000 0.216 211 G C 1.559 176.535 174.900 0.127 0.000 1.146 211 G CA 0.808 45.996 45.100 0.147 0.000 0.793 211 G HN 0.592 nan 8.290 nan 0.000 0.537 212 G N 1.079 109.858 108.800 -0.036 0.000 2.434 212 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.214 212 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.214 212 G C 1.731 176.556 174.900 -0.124 0.000 1.202 212 G CA 0.634 45.695 45.100 -0.065 0.000 0.788 212 G HN 0.377 nan 8.290 nan 0.000 0.539 213 L N 0.848 121.897 121.223 -0.289 0.000 2.240 213 L HA 0.110 4.450 4.340 -0.000 0.000 0.211 213 L C 3.084 179.789 176.870 -0.275 0.000 1.106 213 L CA 0.661 55.268 54.840 -0.389 0.000 0.793 213 L CB -0.470 41.065 42.059 -0.874 0.000 0.927 213 L HN 0.341 nan 8.230 nan 0.000 0.446 214 G N -0.719 107.924 108.800 -0.262 0.000 2.408 214 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 214 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 214 G C 1.024 175.557 174.900 -0.612 0.000 1.150 214 G CA 0.582 45.408 45.100 -0.456 0.000 0.776 214 G HN 0.388 nan 8.290 nan 0.000 0.542 215 Y N -1.527 118.775 120.300 0.003 0.000 2.527 215 Y HA 0.410 4.960 4.550 -0.000 0.000 0.247 215 Y C 1.695 177.622 175.900 0.044 0.000 1.138 215 Y CA -0.303 57.837 58.100 0.067 0.000 1.228 215 Y CB 0.948 39.474 38.460 0.109 0.000 1.252 215 Y HN 0.040 nan 8.280 nan 0.000 0.531 216 V N -1.992 117.990 119.914 0.112 0.000 3.161 216 V HA 0.265 4.385 4.120 -0.000 0.000 0.221 216 V C 1.641 177.745 176.094 0.016 0.000 1.296 216 V CA 0.672 63.031 62.300 0.098 0.000 1.306 216 V CB -0.180 31.740 31.823 0.162 0.000 1.171 216 V HN 0.211 nan 8.190 nan 0.000 0.513 217 G N 1.521 110.297 108.800 -0.040 0.000 3.541 217 G HA2 0.292 4.252 3.960 -0.000 0.000 0.253 217 G HA3 0.292 4.252 3.960 -0.000 0.000 0.253 217 G C 1.159 176.017 174.900 -0.071 0.000 1.017 217 G CA 0.612 45.669 45.100 -0.071 0.000 1.832 217 G HN 0.461 nan 8.290 nan 0.000 0.649 218 V N -1.388 118.505 119.914 -0.034 0.000 2.828 218 V HA -0.121 3.999 4.120 -0.000 0.000 0.260 218 V C 2.149 178.272 176.094 0.049 0.000 1.101 218 V CA 1.402 63.702 62.300 0.001 0.000 1.123 218 V CB -0.354 31.467 31.823 -0.002 0.000 0.704 218 V HN 0.421 nan 8.190 nan 0.000 0.493 219 K N 1.657 122.076 120.400 0.032 0.000 2.439 219 K HA -0.005 4.315 4.320 -0.000 0.000 0.197 219 K C 2.303 178.965 176.600 0.103 0.000 1.041 219 K CA 1.252 57.576 56.287 0.062 0.000 0.970 219 K CB -0.150 32.375 32.500 0.042 0.000 0.773 219 K HN 0.793 nan 8.250 nan 0.000 0.479 220 S N -0.029 115.719 115.700 0.080 0.000 2.481 220 S HA -0.004 4.466 4.470 -0.000 0.000 0.231 220 S C 1.382 176.213 174.600 0.385 0.000 0.996 220 S CA 0.626 58.906 58.200 0.132 0.000 0.942 220 S CB -0.184 62.929 63.200 -0.145 0.000 0.768 220 S HN 0.391 nan 8.310 nan 0.000 0.520 221 G N 0.472 109.494 108.800 0.370 0.000 2.182 221 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.248 221 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.248 221 G C -0.323 174.952 174.900 0.625 0.000 1.042 221 G CA -0.046 45.367 45.100 0.521 0.000 0.775 221 G HN 0.420 nan 8.290 nan 0.000 0.501 222 F N 1.477 121.396 119.950 -0.052 0.000 2.422 222 F HA 0.553 5.080 4.527 -0.000 0.000 0.333 222 F C -1.243 173.857 175.800 -1.167 0.000 1.095 222 F CA -2.918 54.753 58.000 -0.548 0.000 1.038 222 F CB 1.793 40.581 39.000 -0.353 0.000 1.156 222 F HN -0.076 nan 8.300 nan 0.000 0.483 223 P HA 0.114 nan 4.420 nan 0.000 0.271 223 P C -2.399 174.342 177.300 -0.932 0.000 1.218 223 P CA -1.277 60.603 63.100 -2.033 0.000 0.780 223 P CB 1.113 31.646 31.700 -1.945 0.000 0.901 224 P HA 0.030 nan 4.420 nan 0.000 0.255 224 P C 0.867 177.991 177.300 -0.293 0.000 1.248 224 P CA 0.632 63.433 63.100 -0.499 0.000 0.807 224 P CB -0.268 31.408 31.700 -0.041 0.000 1.150 225 G N 0.149 108.729 108.800 -0.367 0.000 2.246 225 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.273 225 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.273 225 G C -0.547 174.410 174.900 0.096 0.000 1.055 225 G CA -0.022 45.066 45.100 -0.020 0.000 0.851 225 G HN 0.491 nan 8.290 nan 0.000 0.500 226 Y N -0.102 120.172 120.300 -0.044 0.000 2.342 226 Y HA 0.602 5.152 4.550 -0.000 0.000 0.338 226 Y C 0.267 176.250 175.900 0.138 0.000 0.965 226 Y CA -1.733 56.428 58.100 0.101 0.000 1.159 226 Y CB 1.013 39.608 38.460 0.226 0.000 1.157 226 Y HN 0.229 nan 8.280 nan 0.000 0.486 227 L N 6.385 127.426 121.223 -0.304 0.000 2.456 227 L HA 0.396 4.736 4.340 -0.000 0.000 0.277 227 L C -0.519 176.231 176.870 -0.201 0.000 1.124 227 L CA 0.549 55.267 54.840 -0.203 0.000 0.880 227 L CB -0.011 41.903 42.059 -0.242 0.000 1.192 227 L HN 0.624 nan 8.230 nan 0.000 0.463 228 S N 4.170 119.890 115.700 0.034 0.000 2.584 228 S HA 0.318 4.787 4.470 -0.000 0.000 0.282 228 S C 0.643 175.333 174.600 0.149 0.000 1.138 228 S CA -0.605 57.635 58.200 0.068 0.000 0.987 228 S CB 0.070 63.451 63.200 0.301 0.000 1.137 228 S HN 0.390 nan 8.310 nan 0.000 0.457 229 F N 2.814 122.774 119.950 0.016 0.000 2.095 229 F HA 0.019 4.546 4.527 -0.000 0.000 0.298 229 F C 2.458 178.230 175.800 -0.047 0.000 1.104 229 F CA 1.786 59.772 58.000 -0.023 0.000 1.232 229 F CB -0.640 38.331 39.000 -0.048 0.000 0.987 229 F HN 0.803 nan 8.300 nan 0.000 0.475 230 E N 0.416 120.712 120.200 0.158 0.000 2.058 230 E HA -0.200 4.149 4.350 -0.000 0.000 0.194 230 E C 2.277 178.850 176.600 -0.045 0.000 0.997 230 E CA 1.147 57.563 56.400 0.027 0.000 0.801 230 E CB -0.268 29.431 29.700 -0.002 0.000 0.746 230 E HN 0.345 nan 8.360 nan 0.000 0.450 231 L N 0.410 121.602 121.223 -0.052 0.000 2.275 231 L HA -0.110 4.229 4.340 -0.000 0.000 0.215 231 L C 2.648 179.307 176.870 -0.351 0.000 1.119 231 L CA 0.642 55.358 54.840 -0.206 0.000 0.790 231 L CB -0.301 41.656 42.059 -0.170 0.000 0.919 231 L HN 0.182 nan 8.230 nan 0.000 0.443 232 S N 0.042 115.657 115.700 -0.140 0.000 2.371 232 S HA -0.118 4.352 4.470 -0.000 0.000 0.224 232 S C 2.112 176.669 174.600 -0.072 0.000 1.029 232 S CA 0.940 59.090 58.200 -0.083 0.000 0.978 232 S CB 0.039 63.311 63.200 0.119 0.000 0.833 232 S HN 0.369 nan 8.310 nan 0.000 0.466 233 R N 0.541 121.004 120.500 -0.063 0.000 2.075 233 R HA 0.011 4.351 4.340 -0.000 0.000 0.232 233 R C 2.705 179.001 176.300 -0.006 0.000 1.126 233 R CA 1.292 57.361 56.100 -0.052 0.000 0.963 233 R CB -0.386 29.860 30.300 -0.090 0.000 0.858 233 R HN 0.351 nan 8.270 nan 0.000 0.435 234 R N 0.875 121.333 120.500 -0.070 0.000 2.081 234 R HA -0.127 4.212 4.340 -0.000 0.000 0.235 234 R C 2.224 178.539 176.300 0.025 0.000 1.131 234 R CA 1.540 57.616 56.100 -0.040 0.000 0.960 234 R CB -0.232 29.998 30.300 -0.116 0.000 0.856 234 R HN 0.239 nan 8.270 nan 0.000 0.436 235 A N 0.809 123.577 122.820 -0.086 0.000 1.877 235 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 235 A C 2.129 179.748 177.584 0.058 0.000 1.186 235 A CA 1.451 53.474 52.037 -0.022 0.000 0.620 235 A CB -0.363 18.538 19.000 -0.165 0.000 0.822 235 A HN 0.252 nan 8.150 nan 0.000 0.443 236 M N -2.053 117.606 119.600 0.097 0.000 2.159 236 M HA -0.088 4.392 4.480 -0.000 0.000 0.263 236 M C 2.097 178.530 176.300 0.221 0.000 1.063 236 M CA 1.221 56.646 55.300 0.208 0.000 1.110 236 M CB -1.460 31.374 32.600 0.390 0.000 1.374 236 M HN 0.617 nan 8.290 nan 0.000 0.411 237 Y N 1.842 122.196 120.300 0.090 0.000 2.145 237 Y HA -0.227 4.323 4.550 -0.000 0.000 0.286 237 Y C 2.190 178.112 175.900 0.036 0.000 1.145 237 Y CA 1.774 59.912 58.100 0.063 0.000 1.148 237 Y CB -0.322 38.158 38.460 0.035 0.000 0.981 237 Y HN 0.293 nan 8.280 nan 0.000 0.507 238 N N 0.406 119.214 118.700 0.179 0.000 2.188 238 N HA -0.193 4.547 4.740 -0.000 0.000 0.184 238 N C 2.029 177.560 175.510 0.034 0.000 1.018 238 N CA 1.589 54.729 53.050 0.151 0.000 0.858 238 N CB -0.488 38.168 38.487 0.281 0.000 0.989 238 N HN 0.482 nan 8.380 nan 0.000 0.426 239 I N 0.754 121.244 120.570 -0.133 0.000 2.394 239 I HA -0.140 4.030 4.170 -0.000 0.000 0.251 239 I C 1.828 177.810 176.117 -0.226 0.000 1.136 239 I CA 0.640 61.659 61.300 -0.468 0.000 1.425 239 I CB 0.110 37.707 38.000 -0.671 0.000 1.079 239 I HN 0.045 nan 8.210 nan 0.000 0.425 240 I N 0.197 120.656 120.570 -0.185 0.000 2.252 240 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 240 I C 2.411 178.401 176.117 -0.212 0.000 1.102 240 I CA 1.314 62.435 61.300 -0.298 0.000 1.385 240 I CB -0.308 37.415 38.000 -0.461 0.000 1.064 240 I HN 0.308 nan 8.210 nan 0.000 0.414 241 Q N 0.558 120.233 119.800 -0.208 0.000 2.084 241 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 241 Q C 2.471 178.480 176.000 0.015 0.000 0.978 241 Q CA 1.646 57.374 55.803 -0.124 0.000 0.844 241 Q CB -0.291 28.391 28.738 -0.094 0.000 0.898 241 Q HN 0.553 nan 8.270 nan 0.000 0.426 242 A N 0.966 123.843 122.820 0.095 0.000 1.892 242 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 242 A C 1.843 179.597 177.584 0.284 0.000 1.188 242 A CA 2.096 54.297 52.037 0.274 0.000 0.631 242 A CB -0.926 18.258 19.000 0.306 0.000 0.822 242 A HN 0.519 nan 8.150 nan 0.000 0.447 243 H N 0.046 119.167 119.070 0.085 0.000 2.290 243 H HA -0.016 4.540 4.556 -0.000 0.000 0.298 243 H C 2.160 177.519 175.328 0.052 0.000 1.087 243 H CA 2.350 58.456 56.048 0.096 0.000 1.291 243 H CB -0.467 29.270 29.762 -0.043 0.000 1.369 243 H HN 0.370 nan 8.280 nan 0.000 0.492 244 A N 0.474 123.152 122.820 -0.237 0.000 1.883 244 A HA -0.195 4.124 4.320 -0.000 0.000 0.217 244 A C 2.452 179.949 177.584 -0.144 0.000 1.186 244 A CA 1.940 53.814 52.037 -0.271 0.000 0.624 244 A CB -0.536 18.359 19.000 -0.175 0.000 0.822 244 A HN 0.397 nan 8.150 nan 0.000 0.444 245 R N -0.373 120.088 120.500 -0.064 0.000 2.092 245 R HA 0.053 4.393 4.340 -0.000 0.000 0.231 245 R C 2.293 178.537 176.300 -0.092 0.000 1.119 245 R CA 1.444 57.521 56.100 -0.039 0.000 0.970 245 R CB -0.777 29.535 30.300 0.019 0.000 0.864 245 R HN 0.499 nan 8.270 nan 0.000 0.440 246 A N -0.916 121.843 122.820 -0.102 0.000 1.969 246 A HA -0.176 4.143 4.320 -0.000 0.000 0.218 246 A C 2.006 179.460 177.584 -0.217 0.000 1.169 246 A CA 1.186 53.084 52.037 -0.232 0.000 0.635 246 A CB -0.727 18.131 19.000 -0.237 0.000 0.810 246 A HN 0.478 nan 8.150 nan 0.000 0.445 247 Y N 1.190 121.287 120.300 -0.339 0.000 2.181 247 Y HA -0.214 4.336 4.550 -0.000 0.000 0.288 247 Y C 1.745 177.512 175.900 -0.221 0.000 1.146 247 Y CA 2.089 60.003 58.100 -0.311 0.000 1.164 247 Y CB -0.108 38.106 38.460 -0.410 0.000 0.982 247 Y HN 0.340 nan 8.280 nan 0.000 0.515 248 D N -0.464 119.954 120.400 0.029 0.000 2.144 248 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 248 D C 2.362 178.579 176.300 -0.139 0.000 0.978 248 D CA 1.392 55.378 54.000 -0.023 0.000 0.833 248 D CB -0.880 39.922 40.800 0.003 0.000 0.961 248 D HN 0.523 nan 8.370 nan 0.000 0.470 249 G N 1.005 109.698 108.800 -0.179 0.000 2.421 249 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 249 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 249 G C 1.795 176.538 174.900 -0.261 0.000 1.171 249 G CA 0.385 45.353 45.100 -0.221 0.000 0.775 249 G HN 0.258 nan 8.290 nan 0.000 0.543 250 I N 0.357 120.725 120.570 -0.338 0.000 2.179 250 I HA -0.132 4.038 4.170 -0.000 0.000 0.242 250 I C 2.564 178.482 176.117 -0.332 0.000 1.088 250 I CA 0.994 62.043 61.300 -0.418 0.000 1.357 250 I CB -0.112 37.536 38.000 -0.587 0.000 1.051 250 I HN 0.005 nan 8.210 nan 0.000 0.409 251 K N 0.534 120.732 120.400 -0.336 0.000 2.360 251 K HA -0.058 4.261 4.320 -0.000 0.000 0.201 251 K C 2.088 178.602 176.600 -0.143 0.000 1.046 251 K CA 0.852 56.989 56.287 -0.249 0.000 0.945 251 K CB -0.323 32.007 32.500 -0.283 0.000 0.750 251 K HN 0.236 nan 8.250 nan 0.000 0.464 252 S N 0.258 115.873 115.700 -0.143 0.000 2.461 252 S HA -0.018 4.452 4.470 -0.000 0.000 0.228 252 S C 1.741 176.294 174.600 -0.077 0.000 1.005 252 S CA 0.518 58.657 58.200 -0.101 0.000 0.942 252 S CB 0.282 63.412 63.200 -0.118 0.000 0.776 252 S HN 0.017 nan 8.310 nan 0.000 0.514 253 V N -0.462 119.402 119.914 -0.084 0.000 3.604 253 V HA 0.327 4.447 4.120 -0.000 0.000 0.277 253 V C 0.428 176.527 176.094 0.010 0.000 1.399 253 V CA 0.117 62.410 62.300 -0.011 0.000 1.034 253 V CB 0.918 32.749 31.823 0.013 0.000 0.824 253 V HN 0.307 nan 8.190 nan 0.000 0.439 254 S N -0.565 115.115 115.700 -0.034 0.000 2.618 254 S HA 0.507 4.976 4.470 -0.000 0.000 0.277 254 S C -0.069 174.537 174.600 0.011 0.000 1.138 254 S CA -0.587 57.627 58.200 0.023 0.000 0.844 254 S CB 2.189 65.447 63.200 0.097 0.000 1.127 254 S HN 0.207 nan 8.310 nan 0.000 0.474 255 K N 0.718 121.148 120.400 0.049 0.000 2.373 255 K HA 0.245 4.565 4.320 -0.000 0.000 0.200 255 K C -0.051 176.595 176.600 0.075 0.000 1.054 255 K CA -0.346 55.967 56.287 0.043 0.000 1.065 255 K CB 0.266 32.791 32.500 0.041 0.000 0.886 255 K HN 0.333 nan 8.250 nan 0.000 0.546 256 K N 1.880 122.351 120.400 0.119 0.000 2.336 256 K HA 0.112 4.432 4.320 -0.000 0.000 0.262 256 K C -2.569 174.150 176.600 0.199 0.000 0.992 256 K CA -1.661 54.711 56.287 0.141 0.000 0.927 256 K CB -0.336 32.236 32.500 0.120 0.000 0.956 256 K HN -0.145 nan 8.250 nan 0.000 0.495 257 P HA 0.075 nan 4.420 nan 0.000 0.271 257 P C -0.805 176.782 177.300 0.479 0.000 1.216 257 P CA -0.151 63.175 63.100 0.376 0.000 0.776 257 P CB 0.587 32.561 31.700 0.457 0.000 0.881 258 V N 3.387 123.540 119.914 0.399 0.000 2.443 258 V HA 0.672 4.792 4.120 -0.000 0.000 0.293 258 V C 0.656 176.816 176.094 0.111 0.000 1.021 258 V CA -0.140 62.327 62.300 0.277 0.000 0.848 258 V CB 1.405 33.179 31.823 -0.082 0.000 0.998 258 V HN 0.776 nan 8.190 nan 0.000 0.424 259 G N 3.679 112.255 108.800 -0.375 0.000 3.217 259 G HA2 0.880 4.839 3.960 -0.000 0.000 0.213 259 G HA3 0.880 4.839 3.960 -0.000 0.000 0.213 259 G C -1.303 173.233 174.900 -0.607 0.000 1.294 259 G CA -0.626 43.838 45.100 -1.060 0.000 0.987 259 G HN 0.601 nan 8.290 nan 0.000 0.584 260 I N -0.845 119.299 120.570 -0.711 0.000 2.913 260 I HA 0.526 4.695 4.170 -0.000 0.000 0.302 260 I C -1.395 174.560 176.117 -0.270 0.000 1.246 260 I CA -1.168 59.931 61.300 -0.335 0.000 1.010 260 I CB 2.533 40.342 38.000 -0.317 0.000 1.259 260 I HN 0.302 nan 8.210 nan 0.000 0.434 261 I N 5.953 126.475 120.570 -0.080 0.000 2.362 261 I HA 0.318 4.487 4.170 -0.000 0.000 0.289 261 I C -1.423 174.754 176.117 0.100 0.000 0.994 261 I CA -0.568 60.752 61.300 0.032 0.000 1.158 261 I CB 1.518 39.549 38.000 0.052 0.000 1.315 261 I HN 0.417 nan 8.210 nan 0.000 0.451 262 Y N 4.775 125.082 120.300 0.012 0.000 2.468 262 Y HA 0.686 5.236 4.550 -0.000 0.000 0.342 262 Y C 0.018 175.944 175.900 0.043 0.000 1.021 262 Y CA -0.931 57.174 58.100 0.008 0.000 1.079 262 Y CB 1.970 40.550 38.460 0.199 0.000 1.226 262 Y HN 0.580 nan 8.280 nan 0.000 0.460 263 A N 5.483 128.102 122.820 -0.335 0.000 2.350 263 A HA 0.391 4.711 4.320 -0.000 0.000 0.293 263 A C -0.622 176.940 177.584 -0.036 0.000 1.231 263 A CA -0.451 51.480 52.037 -0.176 0.000 0.883 263 A CB -0.405 18.425 19.000 -0.285 0.000 1.133 263 A HN 0.782 nan 8.150 nan 0.000 0.533 264 N N 0.565 119.351 118.700 0.143 0.000 2.432 264 N HA 0.671 5.411 4.740 -0.000 0.000 0.292 264 N C -0.790 174.795 175.510 0.126 0.000 1.193 264 N CA -0.302 52.878 53.050 0.217 0.000 0.878 264 N CB 1.956 40.648 38.487 0.341 0.000 1.252 264 N HN 0.562 nan 8.380 nan 0.000 0.520 265 S N -0.837 114.889 115.700 0.044 0.000 2.537 265 S HA 0.320 4.790 4.470 -0.000 0.000 0.270 265 S C -1.405 173.056 174.600 -0.232 0.000 1.142 265 S CA -0.623 57.492 58.200 -0.141 0.000 0.870 265 S CB 1.145 64.073 63.200 -0.455 0.000 1.112 265 S HN 0.402 nan 8.310 nan 0.000 0.466 266 S N 3.216 118.891 115.700 -0.042 0.000 2.410 266 S HA 0.552 5.022 4.470 -0.000 0.000 0.304 266 S C -1.033 173.401 174.600 -0.277 0.000 1.095 266 S CA -0.475 57.697 58.200 -0.047 0.000 1.089 266 S CB -0.590 62.729 63.200 0.199 0.000 0.968 266 S HN 0.454 nan 8.310 nan 0.000 0.480 267 F N 4.543 124.471 119.950 -0.036 0.000 2.466 267 F HA 0.345 4.872 4.527 -0.000 0.000 0.363 267 F C 1.098 176.842 175.800 -0.093 0.000 1.109 267 F CA -0.177 57.767 58.000 -0.094 0.000 1.161 267 F CB 0.668 39.578 39.000 -0.151 0.000 1.117 267 F HN 0.388 nan 8.300 nan 0.000 0.539 268 Q N 5.661 125.447 119.800 -0.024 0.000 2.309 268 Q HA 0.364 4.704 4.340 -0.000 0.000 0.264 268 Q C -2.549 173.406 176.000 -0.074 0.000 1.008 268 Q CA -2.289 53.474 55.803 -0.068 0.000 0.853 268 Q CB 2.061 30.673 28.738 -0.211 0.000 1.314 268 Q HN 0.280 nan 8.270 nan 0.000 0.448 269 P HA 0.041 nan 4.420 nan 0.000 0.287 269 P C 0.528 177.777 177.300 -0.084 0.000 1.281 269 P CA -0.364 62.707 63.100 -0.049 0.000 0.781 269 P CB 1.076 32.766 31.700 -0.017 0.000 0.903 270 L N 3.737 124.902 121.223 -0.096 0.000 2.046 270 L HA -0.014 4.325 4.340 -0.000 0.000 0.208 270 L C 0.610 177.450 176.870 -0.052 0.000 1.077 270 L CA 2.367 57.135 54.840 -0.119 0.000 0.747 270 L CB -0.733 41.280 42.059 -0.077 0.000 0.896 270 L HN 0.353 nan 8.230 nan 0.000 0.432 271 T N -1.373 113.169 114.554 -0.021 0.000 2.916 271 T HA 0.249 4.599 4.350 -0.000 0.000 0.292 271 T C 0.199 174.902 174.700 0.004 0.000 1.064 271 T CA 0.170 62.270 62.100 0.000 0.000 1.011 271 T CB 1.645 70.519 68.868 0.011 0.000 1.152 271 T HN 0.257 nan 8.240 nan 0.000 0.510 272 D N 0.143 120.551 120.400 0.012 0.000 2.378 272 D HA -0.089 4.550 4.640 -0.000 0.000 0.222 272 D C 1.033 177.341 176.300 0.013 0.000 0.980 272 D CA 0.584 54.593 54.000 0.015 0.000 0.907 272 D CB -0.140 40.672 40.800 0.019 0.000 0.899 272 D HN 0.625 nan 8.370 nan 0.000 0.527 273 K N -0.254 120.153 120.400 0.012 0.000 2.576 273 K HA 0.177 4.497 4.320 -0.000 0.000 0.209 273 K C -0.137 176.469 176.600 0.010 0.000 1.049 273 K CA -0.357 55.937 56.287 0.012 0.000 1.140 273 K CB 0.373 32.882 32.500 0.014 0.000 0.871 273 K HN -0.118 nan 8.250 nan 0.000 0.479 274 D N 0.888 121.292 120.400 0.005 0.000 2.535 274 D HA 0.124 4.764 4.640 -0.000 0.000 0.229 274 D C 1.124 177.419 176.300 -0.009 0.000 1.238 274 D CA -0.028 53.974 54.000 0.002 0.000 0.824 274 D CB 0.602 41.401 40.800 -0.002 0.000 1.045 274 D HN 0.153 nan 8.370 nan 0.000 0.500 275 M N 0.350 119.947 119.600 -0.004 0.000 2.149 275 M HA -0.125 4.355 4.480 -0.000 0.000 0.261 275 M C 1.923 178.211 176.300 -0.020 0.000 1.064 275 M CA 1.324 56.620 55.300 -0.007 0.000 1.102 275 M CB -0.678 31.924 32.600 0.003 0.000 1.369 275 M HN 0.110 nan 8.290 nan 0.000 0.408 276 E N -0.145 120.046 120.200 -0.016 0.000 2.208 276 E HA -0.064 4.285 4.350 -0.000 0.000 0.193 276 E C 1.965 178.534 176.600 -0.053 0.000 0.988 276 E CA 0.860 57.247 56.400 -0.021 0.000 0.828 276 E CB 0.178 29.876 29.700 -0.003 0.000 0.763 276 E HN 0.459 nan 8.360 nan 0.000 0.478 277 A N 0.368 123.155 122.820 -0.055 0.000 1.930 277 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 277 A C 2.337 179.733 177.584 -0.313 0.000 1.175 277 A CA 0.985 52.954 52.037 -0.113 0.000 0.627 277 A CB -0.479 18.510 19.000 -0.018 0.000 0.815 277 A HN 0.168 nan 8.150 nan 0.000 0.443 278 V N 0.200 120.000 119.914 -0.191 0.000 2.261 278 V HA -0.300 3.819 4.120 -0.000 0.000 0.246 278 V C 2.427 178.363 176.094 -0.263 0.000 1.047 278 V CA 2.393 64.578 62.300 -0.192 0.000 1.015 278 V CB -0.918 30.874 31.823 -0.052 0.000 0.642 278 V HN 0.649 nan 8.190 nan 0.000 0.446 279 E N -0.390 119.719 120.200 -0.152 0.000 2.085 279 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 279 E C 2.225 178.724 176.600 -0.168 0.000 0.994 279 E CA 1.724 58.066 56.400 -0.096 0.000 0.801 279 E CB -0.261 29.426 29.700 -0.021 0.000 0.743 279 E HN 0.552 nan 8.360 nan 0.000 0.453 280 M N 0.370 119.833 119.600 -0.228 0.000 2.086 280 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 280 M C 2.546 178.576 176.300 -0.449 0.000 1.067 280 M CA 1.550 56.721 55.300 -0.215 0.000 1.116 280 M CB -0.303 32.247 32.600 -0.084 0.000 1.348 280 M HN 0.134 nan 8.290 nan 0.000 0.407 281 A N 0.393 122.622 122.820 -0.985 0.000 1.902 281 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 281 A C 1.935 178.886 177.584 -1.056 0.000 1.181 281 A CA 1.809 53.088 52.037 -1.263 0.000 0.623 281 A CB -0.744 17.279 19.000 -1.629 0.000 0.818 281 A HN 0.550 nan 8.150 nan 0.000 0.443 282 E N -0.089 119.602 120.200 -0.849 0.000 2.110 282 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 282 E C 1.699 177.981 176.600 -0.531 0.000 0.988 282 E CA 1.079 57.052 56.400 -0.712 0.000 0.804 282 E CB -0.198 29.176 29.700 -0.542 0.000 0.745 282 E HN 0.561 nan 8.360 nan 0.000 0.458 283 N N 1.116 119.704 118.700 -0.187 0.000 2.106 283 N HA -0.118 4.621 4.740 -0.000 0.000 0.188 283 N C 1.288 176.918 175.510 0.200 0.000 1.029 283 N CA 1.083 54.208 53.050 0.124 0.000 0.848 283 N CB -0.183 38.399 38.487 0.158 0.000 1.007 283 N HN 0.147 nan 8.380 nan 0.000 0.423 284 D N 0.368 120.797 120.400 0.048 0.000 2.269 284 D HA -0.003 4.637 4.640 -0.000 0.000 0.208 284 D C 1.054 177.479 176.300 0.208 0.000 0.963 284 D CA 0.687 54.717 54.000 0.050 0.000 0.864 284 D CB -0.081 40.720 40.800 0.001 0.000 0.936 284 D HN 0.313 nan 8.370 nan 0.000 0.505 285 N N -0.452 118.352 118.700 0.173 0.000 2.273 285 N HA 0.096 4.836 4.740 -0.000 0.000 0.192 285 N C 1.447 177.194 175.510 0.395 0.000 1.132 285 N CA 0.002 53.239 53.050 0.312 0.000 0.887 285 N CB 1.632 40.230 38.487 0.185 0.000 1.048 285 N HN 0.091 nan 8.380 nan 0.000 0.490 286 R N -0.296 120.283 120.500 0.131 0.000 3.199 286 R HA 0.166 4.506 4.340 -0.000 0.000 0.158 286 R C 1.461 177.826 176.300 0.109 0.000 1.302 286 R CA -0.094 55.962 56.100 -0.073 0.000 1.139 286 R CB -0.189 29.685 30.300 -0.710 0.000 1.304 286 R HN 0.026 nan 8.270 nan 0.000 0.483 287 W N 2.051 123.444 121.300 0.156 0.000 2.304 287 W HA -0.302 4.357 4.660 -0.000 0.000 0.315 287 W C 2.160 178.784 176.519 0.174 0.000 1.233 287 W CA 0.676 58.132 57.345 0.183 0.000 1.261 287 W CB -0.533 28.990 29.460 0.105 0.000 1.150 287 W HN 0.464 nan 8.180 nan 0.000 0.494 288 W N 0.355 121.867 121.300 0.355 0.000 2.321 288 W HA -0.285 4.375 4.660 -0.000 0.000 0.306 288 W C 1.923 178.548 176.519 0.177 0.000 1.217 288 W CA 1.235 58.711 57.345 0.218 0.000 1.257 288 W CB -1.990 27.561 29.460 0.151 0.000 1.145 288 W HN 0.028 nan 8.180 nan 0.000 0.509 289 F N 0.879 119.962 119.950 -1.446 0.000 2.113 289 F HA -0.085 4.442 4.527 -0.000 0.000 0.297 289 F C 2.270 177.553 175.800 -0.861 0.000 1.103 289 F CA 2.047 59.114 58.000 -1.555 0.000 1.248 289 F CB -0.980 37.062 39.000 -1.597 0.000 0.999 289 F HN -0.270 nan 8.300 nan 0.000 0.475 290 F N 0.554 120.361 119.950 -0.238 0.000 2.325 290 F HA -0.113 4.413 4.527 -0.000 0.000 0.299 290 F C 2.172 177.797 175.800 -0.290 0.000 1.090 290 F CA 1.141 58.985 58.000 -0.260 0.000 1.392 290 F CB -0.678 38.251 39.000 -0.118 0.000 1.053 290 F HN -0.066 nan 8.300 nan 0.000 0.521 291 D N 0.065 120.516 120.400 0.084 0.000 2.264 291 D HA -0.098 4.541 4.640 -0.000 0.000 0.208 291 D C 2.258 178.501 176.300 -0.096 0.000 0.966 291 D CA 1.095 55.136 54.000 0.069 0.000 0.864 291 D CB -0.299 40.593 40.800 0.153 0.000 0.933 291 D HN 0.251 nan 8.370 nan 0.000 0.499 292 A N 1.110 123.789 122.820 -0.235 0.000 1.854 292 A HA -0.079 4.241 4.320 -0.000 0.000 0.214 292 A C 2.212 179.583 177.584 -0.355 0.000 1.192 292 A CA 1.039 52.897 52.037 -0.298 0.000 0.611 292 A CB -0.661 18.077 19.000 -0.437 0.000 0.832 292 A HN 0.370 nan 8.150 nan 0.000 0.442 293 I N -3.678 116.588 120.570 -0.506 0.000 3.428 293 I HA 0.142 4.312 4.170 -0.000 0.000 0.286 293 I C 1.623 177.548 176.117 -0.320 0.000 1.287 293 I CA 0.774 61.823 61.300 -0.419 0.000 1.396 293 I CB -0.073 37.612 38.000 -0.525 0.000 1.062 293 I HN 0.225 nan 8.210 nan 0.000 0.471 294 I N 0.485 120.878 120.570 -0.295 0.000 3.132 294 I HA 0.094 4.264 4.170 -0.000 0.000 0.255 294 I C 2.217 178.245 176.117 -0.149 0.000 1.118 294 I CA 0.047 61.203 61.300 -0.241 0.000 1.463 294 I CB -0.150 37.642 38.000 -0.346 0.000 1.356 294 I HN 0.010 nan 8.210 nan 0.000 0.463 295 R N 1.262 121.699 120.500 -0.105 0.000 2.276 295 R HA 0.177 4.517 4.340 -0.000 0.000 0.196 295 R C 1.380 177.638 176.300 -0.069 0.000 0.961 295 R CA 0.862 56.931 56.100 -0.051 0.000 1.024 295 R CB -0.188 30.113 30.300 0.002 0.000 0.940 295 R HN 0.542 nan 8.270 nan 0.000 0.480 296 G N 1.757 110.492 108.800 -0.108 0.000 2.189 296 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.267 296 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.267 296 G C -0.291 174.569 174.900 -0.067 0.000 0.975 296 G CA 0.344 45.383 45.100 -0.103 0.000 0.644 296 G HN 0.448 nan 8.290 nan 0.000 0.537 297 E N 0.027 120.200 120.200 -0.046 0.000 2.180 297 E HA 0.652 5.002 4.350 -0.000 0.000 0.283 297 E C 0.196 176.803 176.600 0.012 0.000 1.061 297 E CA -0.114 56.283 56.400 -0.004 0.000 0.861 297 E CB 1.619 31.330 29.700 0.018 0.000 1.056 297 E HN 0.493 nan 8.360 nan 0.000 0.407 298 I N 1.450 122.044 120.570 0.040 0.000 3.191 298 I HA 0.375 4.545 4.170 -0.000 0.000 0.313 298 I C -1.208 174.987 176.117 0.129 0.000 1.193 298 I CA -0.620 60.738 61.300 0.096 0.000 0.968 298 I CB 2.770 40.809 38.000 0.065 0.000 1.262 298 I HN 0.397 nan 8.210 nan 0.000 0.456 299 T N 3.410 118.071 114.554 0.179 0.000 2.930 299 T HA 0.576 4.926 4.350 -0.000 0.000 0.313 299 T C -1.127 173.632 174.700 0.100 0.000 1.019 299 T CA -0.664 61.503 62.100 0.113 0.000 1.004 299 T CB 0.196 69.104 68.868 0.066 0.000 0.987 299 T HN 0.641 nan 8.240 nan 0.000 0.456 300 R N 3.639 124.164 120.500 0.042 0.000 2.460 300 R HA 0.870 5.210 4.340 -0.000 0.000 0.303 300 R C 1.151 177.361 176.300 -0.151 0.000 0.968 300 R CA 0.254 56.252 56.100 -0.170 0.000 0.889 300 R CB 0.847 31.035 30.300 -0.186 0.000 1.123 300 R HN 0.863 nan 8.270 nan 0.000 0.455 301 G N 2.539 111.217 108.800 -0.204 0.000 2.595 301 G HA2 -0.396 3.563 3.960 -0.000 0.000 0.297 301 G HA3 -0.396 3.563 3.960 -0.000 0.000 0.297 301 G C -0.062 174.779 174.900 -0.098 0.000 1.181 301 G CA 0.576 45.593 45.100 -0.139 0.000 0.963 301 G HN 0.675 nan 8.290 nan 0.000 0.541 302 N N 1.819 120.477 118.700 -0.069 0.000 2.475 302 N HA 0.455 5.194 4.740 -0.000 0.000 0.272 302 N C -1.180 174.309 175.510 -0.035 0.000 1.482 302 N CA 0.070 53.089 53.050 -0.052 0.000 0.863 302 N CB 1.200 39.657 38.487 -0.051 0.000 1.400 302 N HN 0.548 nan 8.380 nan 0.000 0.489 303 E N 0.021 120.204 120.200 -0.028 0.000 2.238 303 E HA 0.351 4.701 4.350 -0.000 0.000 0.267 303 E C -0.601 176.001 176.600 0.004 0.000 0.887 303 E CA -0.905 55.487 56.400 -0.013 0.000 0.769 303 E CB 1.516 31.208 29.700 -0.014 0.000 1.187 303 E HN -0.186 nan 8.360 nan 0.000 0.416 304 K N 3.684 124.089 120.400 0.009 0.000 2.184 304 K HA 0.223 4.542 4.320 -0.000 0.000 0.259 304 K C -0.778 175.836 176.600 0.022 0.000 1.119 304 K CA -0.269 56.032 56.287 0.023 0.000 0.991 304 K CB -0.403 32.110 32.500 0.021 0.000 1.522 304 K HN 0.448 nan 8.250 nan 0.000 0.405 305 I N 2.229 122.818 120.570 0.032 0.000 3.244 305 I HA 0.347 4.517 4.170 -0.000 0.000 0.314 305 I C -0.038 176.091 176.117 0.021 0.000 1.043 305 I CA -1.222 60.093 61.300 0.026 0.000 1.099 305 I CB 1.123 39.145 38.000 0.037 0.000 1.449 305 I HN 0.106 nan 8.210 nan 0.000 0.625 306 V N 2.954 122.873 119.914 0.009 0.000 2.501 306 V HA 0.313 4.432 4.120 -0.000 0.000 0.277 306 V C -0.170 175.916 176.094 -0.013 0.000 1.004 306 V CA -0.703 61.594 62.300 -0.006 0.000 0.862 306 V CB 1.318 33.136 31.823 -0.009 0.000 1.035 306 V HN 0.595 nan 8.190 nan 0.000 0.448 307 R N 2.587 123.073 120.500 -0.022 0.000 2.234 307 R HA 0.314 4.654 4.340 -0.000 0.000 0.324 307 R C 0.388 176.660 176.300 -0.047 0.000 1.054 307 R CA -0.513 55.570 56.100 -0.029 0.000 0.912 307 R CB 1.166 31.445 30.300 -0.035 0.000 1.030 307 R HN 0.583 nan 8.270 nan 0.000 0.455 308 D N 1.931 122.309 120.400 -0.037 0.000 2.264 308 D HA -0.164 4.475 4.640 -0.000 0.000 0.208 308 D C 1.061 177.329 176.300 -0.053 0.000 0.966 308 D CA 1.258 55.233 54.000 -0.042 0.000 0.864 308 D CB 0.162 40.945 40.800 -0.028 0.000 0.933 308 D HN 0.641 nan 8.370 nan 0.000 0.499 309 D N 0.301 120.671 120.400 -0.051 0.000 2.371 309 D HA -0.102 4.538 4.640 -0.000 0.000 0.221 309 D C 1.913 178.156 176.300 -0.095 0.000 0.986 309 D CA 0.257 54.223 54.000 -0.057 0.000 0.899 309 D CB -0.096 40.681 40.800 -0.038 0.000 0.902 309 D HN 0.286 nan 8.370 nan 0.000 0.530 310 L N -0.539 120.615 121.223 -0.115 0.000 2.537 310 L HA 0.142 4.482 4.340 -0.000 0.000 0.224 310 L C 1.340 178.100 176.870 -0.183 0.000 1.065 310 L CA -0.339 54.403 54.840 -0.163 0.000 0.860 310 L CB 0.073 42.027 42.059 -0.175 0.000 1.086 310 L HN -0.189 nan 8.230 nan 0.000 0.482 311 K N 1.082 121.397 120.400 -0.141 0.000 2.489 311 K HA 0.104 4.424 4.320 -0.000 0.000 0.278 311 K C 1.013 177.514 176.600 -0.164 0.000 1.000 311 K CA 0.944 57.150 56.287 -0.134 0.000 1.012 311 K CB 0.352 32.799 32.500 -0.088 0.000 0.903 311 K HN 0.224 nan 8.250 nan 0.000 0.485 312 G N 3.346 112.042 108.800 -0.174 0.000 2.203 312 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.263 312 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.263 312 G C 0.007 174.689 174.900 -0.362 0.000 1.012 312 G CA 0.385 45.371 45.100 -0.190 0.000 0.749 312 G HN 0.605 nan 8.290 nan 0.000 0.512 313 R N -0.739 119.450 120.500 -0.518 0.000 4.518 313 R HA 0.682 5.021 4.340 -0.000 0.000 0.243 313 R C -0.227 175.535 176.300 -0.897 0.000 1.720 313 R CA -0.167 55.259 56.100 -1.122 0.000 1.526 313 R CB -0.001 29.806 30.300 -0.823 0.000 1.425 313 R HN 0.427 nan 8.270 nan 0.000 0.787 314 L N -0.554 120.357 121.223 -0.520 0.000 2.666 314 L HA 0.294 4.634 4.340 -0.000 0.000 0.259 314 L C -0.711 176.196 176.870 0.062 0.000 0.919 314 L CA 0.010 54.794 54.840 -0.092 0.000 0.927 314 L CB 2.175 44.157 42.059 -0.128 0.000 1.423 314 L HN 0.131 nan 8.230 nan 0.000 0.426 315 D N 3.104 123.608 120.400 0.173 0.000 2.422 315 D HA 0.164 4.804 4.640 -0.000 0.000 0.218 315 D C -0.521 175.840 176.300 0.101 0.000 1.047 315 D CA 0.874 55.011 54.000 0.228 0.000 0.885 315 D CB 0.579 41.621 40.800 0.403 0.000 1.035 315 D HN 0.493 nan 8.370 nan 0.000 0.502 316 W N 0.352 121.538 121.300 -0.191 0.000 3.066 316 W HA 0.545 5.204 4.660 -0.000 0.000 0.330 316 W C -2.025 174.375 176.519 -0.198 0.000 1.253 316 W CA -0.963 56.098 57.345 -0.473 0.000 1.187 316 W CB 0.288 29.184 29.460 -0.939 0.000 1.434 316 W HN -0.406 nan 8.180 nan 0.000 0.572 317 I N 2.148 122.720 120.570 0.003 0.000 2.406 317 I HA 0.478 4.648 4.170 -0.000 0.000 0.290 317 I C 0.669 176.864 176.117 0.129 0.000 0.999 317 I CA -0.751 60.465 61.300 -0.139 0.000 1.124 317 I CB 1.948 39.686 38.000 -0.436 0.000 1.289 317 I HN 0.600 nan 8.210 nan 0.000 0.441 318 G N 5.915 114.748 108.800 0.054 0.000 2.327 318 G HA2 0.489 4.449 3.960 -0.000 0.000 0.302 318 G HA3 0.489 4.449 3.960 -0.000 0.000 0.302 318 G C -0.530 174.465 174.900 0.158 0.000 1.113 318 G CA -0.261 45.028 45.100 0.315 0.000 0.921 318 G HN 0.350 nan 8.290 nan 0.000 0.425 319 V N 3.744 123.761 119.914 0.172 0.000 2.364 319 V HA 0.219 4.339 4.120 -0.000 0.000 0.272 319 V C -0.443 175.757 176.094 0.177 0.000 1.036 319 V CA -0.982 61.418 62.300 0.167 0.000 0.880 319 V CB 1.112 33.039 31.823 0.173 0.000 0.991 319 V HN 0.621 nan 8.190 nan 0.000 0.460 320 N N 4.177 122.981 118.700 0.174 0.000 2.469 320 N HA 0.410 5.149 4.740 -0.000 0.000 0.253 320 N C -1.168 174.414 175.510 0.120 0.000 0.970 320 N CA -0.309 52.799 53.050 0.096 0.000 0.940 320 N CB 1.155 39.698 38.487 0.093 0.000 1.128 320 N HN 0.706 nan 8.380 nan 0.000 0.503 321 Y N 2.088 122.308 120.300 -0.133 0.000 2.425 321 Y HA 0.381 4.931 4.550 -0.000 0.000 0.344 321 Y C -0.670 175.065 175.900 -0.275 0.000 0.969 321 Y CA -0.533 57.524 58.100 -0.071 0.000 1.052 321 Y CB 0.897 39.394 38.460 0.061 0.000 1.215 321 Y HN 0.519 nan 8.280 nan 0.000 0.451 322 Y N 1.747 121.611 120.300 -0.727 0.000 2.723 322 Y HA 0.325 4.874 4.550 -0.000 0.000 0.272 322 Y C 0.858 176.412 175.900 -0.576 0.000 1.142 322 Y CA 0.637 58.512 58.100 -0.374 0.000 1.217 322 Y CB 1.106 39.473 38.460 -0.154 0.000 1.391 322 Y HN 0.622 nan 8.280 nan 0.000 0.479 323 T N -0.494 113.555 114.554 -0.841 0.000 2.661 323 T HA 0.342 4.691 4.350 -0.000 0.000 0.305 323 T C -1.410 173.104 174.700 -0.310 0.000 1.441 323 T CA -0.956 60.883 62.100 -0.435 0.000 0.999 323 T CB 1.070 69.734 68.868 -0.340 0.000 1.650 323 T HN 0.154 nan 8.240 nan 0.000 0.489 324 R N 0.301 120.738 120.500 -0.105 0.000 2.517 324 R HA 0.742 5.082 4.340 -0.000 0.000 0.250 324 R C -1.122 175.008 176.300 -0.284 0.000 1.213 324 R CA -0.337 55.646 56.100 -0.195 0.000 1.146 324 R CB 0.296 30.267 30.300 -0.548 0.000 1.279 324 R HN 0.566 nan 8.270 nan 0.000 0.597 325 T N 0.881 115.236 114.554 -0.330 0.000 3.170 325 T HA 0.242 4.592 4.350 -0.000 0.000 0.315 325 T C -0.989 173.621 174.700 -0.149 0.000 0.967 325 T CA -0.609 61.355 62.100 -0.227 0.000 1.024 325 T CB 1.461 70.123 68.868 -0.343 0.000 1.018 325 T HN 0.373 nan 8.240 nan 0.000 0.449 326 V N 4.572 124.404 119.914 -0.136 0.000 2.498 326 V HA 0.643 4.763 4.120 -0.000 0.000 0.279 326 V C 0.487 176.554 176.094 -0.046 0.000 1.048 326 V CA -0.465 61.709 62.300 -0.210 0.000 0.967 326 V CB 1.145 32.611 31.823 -0.595 0.000 0.988 326 V HN 0.748 nan 8.190 nan 0.000 0.473 327 V N 2.593 122.498 119.914 -0.015 0.000 3.001 327 V HA 0.852 4.972 4.120 -0.000 0.000 0.314 327 V C -0.731 175.384 176.094 0.036 0.000 1.099 327 V CA -1.059 61.281 62.300 0.068 0.000 0.989 327 V CB 2.071 33.949 31.823 0.090 0.000 1.040 327 V HN 0.958 nan 8.190 nan 0.000 0.434 328 K N 1.817 122.269 120.400 0.087 0.000 2.422 328 K HA 0.648 4.968 4.320 -0.000 0.000 0.251 328 K C -0.656 176.004 176.600 0.100 0.000 0.933 328 K CA -1.004 55.322 56.287 0.065 0.000 0.798 328 K CB 2.542 35.075 32.500 0.055 0.000 1.238 328 K HN 0.958 nan 8.250 nan 0.000 0.428 329 R N 0.774 121.318 120.500 0.074 0.000 2.389 329 R HA 0.194 4.534 4.340 -0.000 0.000 0.295 329 R C -0.874 175.462 176.300 0.060 0.000 1.075 329 R CA -0.218 55.932 56.100 0.084 0.000 1.005 329 R CB 0.414 30.746 30.300 0.053 0.000 0.987 329 R HN 0.774 nan 8.270 nan 0.000 0.452 330 T N 0.403 114.988 114.554 0.052 0.000 2.949 330 T HA 0.526 4.876 4.350 -0.000 0.000 0.300 330 T C 0.709 175.410 174.700 0.002 0.000 0.988 330 T CA -0.069 62.043 62.100 0.019 0.000 0.993 330 T CB 1.604 70.475 68.868 0.004 0.000 0.984 330 T HN 0.987 nan 8.240 nan 0.000 0.442 331 G N 3.948 112.750 108.800 0.003 0.000 2.591 331 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.298 331 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.298 331 G C 0.786 175.686 174.900 -0.001 0.000 1.195 331 G CA 0.359 45.456 45.100 -0.004 0.000 0.989 331 G HN 0.783 nan 8.290 nan 0.000 0.551 332 K N 2.069 122.463 120.400 -0.011 0.000 2.379 332 K HA 0.217 4.537 4.320 -0.000 0.000 0.194 332 K C 1.682 178.285 176.600 0.005 0.000 1.031 332 K CA 1.253 57.538 56.287 -0.004 0.000 1.037 332 K CB 0.324 32.815 32.500 -0.014 0.000 0.824 332 K HN 0.627 nan 8.250 nan 0.000 0.516 333 G N -0.203 108.588 108.800 -0.014 0.000 3.310 333 G HA2 0.390 4.350 3.960 -0.000 0.000 0.176 333 G HA3 0.390 4.350 3.960 -0.000 0.000 0.176 333 G C -0.722 174.224 174.900 0.078 0.000 1.307 333 G CA -0.178 44.914 45.100 -0.012 0.000 0.935 333 G HN 0.171 nan 8.290 nan 0.000 0.628 334 Y N -3.440 116.833 120.300 -0.044 0.000 2.725 334 Y HA 0.747 5.296 4.550 -0.000 0.000 0.333 334 Y C -1.340 174.544 175.900 -0.026 0.000 1.242 334 Y CA -1.514 56.565 58.100 -0.034 0.000 1.059 334 Y CB 1.281 39.712 38.460 -0.048 0.000 1.306 334 Y HN 0.500 nan 8.280 nan 0.000 0.454 335 V N 1.223 121.231 119.914 0.157 0.000 2.888 335 V HA 0.495 4.615 4.120 -0.000 0.000 0.309 335 V C -0.632 175.579 176.094 0.195 0.000 1.114 335 V CA -0.908 61.438 62.300 0.077 0.000 0.940 335 V CB 2.170 34.008 31.823 0.026 0.000 1.021 335 V HN 0.917 nan 8.190 nan 0.000 0.426 336 S N 4.201 120.006 115.700 0.175 0.000 2.584 336 S HA 0.668 5.138 4.470 -0.000 0.000 0.273 336 S C -0.427 174.254 174.600 0.136 0.000 1.311 336 S CA -0.413 57.894 58.200 0.177 0.000 1.034 336 S CB 0.657 63.958 63.200 0.170 0.000 0.939 336 S HN 0.471 nan 8.310 nan 0.000 0.513 337 L N 2.043 123.359 121.223 0.154 0.000 2.322 337 L HA 0.550 4.889 4.340 -0.000 0.000 0.281 337 L C 0.978 177.986 176.870 0.230 0.000 1.014 337 L CA -0.828 54.133 54.840 0.201 0.000 0.815 337 L CB 1.287 43.510 42.059 0.275 0.000 1.247 337 L HN 0.752 nan 8.230 nan 0.000 0.421 338 G N 0.329 109.218 108.800 0.147 0.000 2.606 338 G HA2 0.414 4.374 3.960 -0.000 0.000 0.252 338 G HA3 0.414 4.374 3.960 -0.000 0.000 0.252 338 G C 0.852 175.766 174.900 0.023 0.000 1.206 338 G CA 0.427 45.582 45.100 0.091 0.000 0.861 338 G HN 1.017 nan 8.290 nan 0.000 0.561 339 G N -1.379 107.391 108.800 -0.050 0.000 2.157 339 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.248 339 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.248 339 G C -0.055 174.575 174.900 -0.451 0.000 0.979 339 G CA 0.883 45.835 45.100 -0.247 0.000 0.650 339 G HN 0.865 nan 8.290 nan 0.000 0.529 340 Y N -1.195 119.120 120.300 0.025 0.000 2.615 340 Y HA 0.568 5.118 4.550 -0.000 0.000 0.341 340 Y C 1.319 177.203 175.900 -0.026 0.000 1.089 340 Y CA 0.127 58.223 58.100 -0.006 0.000 1.049 340 Y CB 1.067 39.504 38.460 -0.038 0.000 1.296 340 Y HN 1.110 nan 8.280 nan 0.000 0.470 341 G N 0.703 109.566 108.800 0.105 0.000 2.685 341 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.329 341 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.329 341 G C 0.742 175.574 174.900 -0.114 0.000 1.271 341 G CA 1.327 46.384 45.100 -0.072 0.000 1.003 341 G HN 0.910 nan 8.290 nan 0.000 0.549 342 H N 1.225 120.196 119.070 -0.165 0.000 2.529 342 H HA 0.315 4.871 4.556 -0.000 0.000 0.277 342 H C 2.286 177.622 175.328 0.014 0.000 0.999 342 H CA 1.011 56.898 56.048 -0.268 0.000 1.256 342 H CB 0.035 29.485 29.762 -0.520 0.000 1.402 342 H HN 0.618 nan 8.280 nan 0.000 0.566 343 G N -0.137 108.745 108.800 0.136 0.000 3.882 343 G HA2 0.276 4.235 3.960 -0.000 0.000 0.283 343 G HA3 0.276 4.235 3.960 -0.000 0.000 0.283 343 G C -0.473 174.492 174.900 0.107 0.000 1.283 343 G CA -0.247 44.929 45.100 0.126 0.000 1.402 343 G HN 0.219 nan 8.290 nan 0.000 0.618 344 C N -0.395 118.990 119.300 0.142 0.000 2.531 344 C HA 0.580 5.040 4.460 -0.000 0.000 0.369 344 C C 0.297 175.351 174.990 0.106 0.000 1.258 344 C CA -1.083 57.992 59.018 0.095 0.000 1.876 344 C CB 2.005 29.803 27.740 0.098 0.000 2.256 344 C HN 0.436 nan 8.230 nan 0.000 0.510 345 E N 0.930 121.169 120.200 0.065 0.000 2.366 345 E HA 0.193 4.542 4.350 -0.000 0.000 0.266 345 E C -0.207 176.436 176.600 0.072 0.000 1.051 345 E CA 0.086 56.523 56.400 0.062 0.000 0.884 345 E CB 0.512 30.231 29.700 0.032 0.000 1.006 345 E HN 0.451 nan 8.360 nan 0.000 0.417 346 R N 1.528 122.070 120.500 0.071 0.000 2.543 346 R HA 0.078 4.418 4.340 -0.000 0.000 0.277 346 R C -0.055 176.267 176.300 0.036 0.000 1.074 346 R CA -0.171 55.964 56.100 0.058 0.000 1.076 346 R CB -0.022 30.306 30.300 0.047 0.000 0.993 346 R HN 0.556 nan 8.270 nan 0.000 0.459 347 N N 0.223 118.942 118.700 0.032 0.000 2.669 347 N HA -0.250 4.490 4.740 -0.000 0.000 0.266 347 N C -0.756 174.763 175.510 0.015 0.000 1.024 347 N CA 1.052 54.120 53.050 0.031 0.000 0.766 347 N CB -0.413 38.095 38.487 0.034 0.000 0.898 347 N HN 0.588 nan 8.380 nan 0.000 0.548 348 S N -1.365 114.333 115.700 -0.004 0.000 3.888 348 S HA 0.789 5.259 4.470 -0.000 0.000 0.307 348 S C -1.390 173.133 174.600 -0.129 0.000 1.122 348 S CA -0.356 57.807 58.200 -0.062 0.000 1.197 348 S CB 1.460 64.642 63.200 -0.030 0.000 1.533 348 S HN 0.050 nan 8.310 nan 0.000 0.696 349 V N 1.930 121.741 119.914 -0.172 0.000 2.971 349 V HA 0.655 4.775 4.120 -0.000 0.000 0.309 349 V C -0.008 176.034 176.094 -0.087 0.000 1.130 349 V CA -0.215 61.976 62.300 -0.182 0.000 0.964 349 V CB 2.077 33.639 31.823 -0.435 0.000 1.029 349 V HN 1.060 nan 8.190 nan 0.000 0.427 350 S N 3.726 119.404 115.700 -0.036 0.000 2.661 350 S HA 0.432 4.901 4.470 -0.000 0.000 0.265 350 S C 1.028 175.554 174.600 -0.123 0.000 1.225 350 S CA -0.476 57.682 58.200 -0.070 0.000 0.986 350 S CB 0.566 63.769 63.200 0.005 0.000 1.008 350 S HN 0.572 nan 8.310 nan 0.000 0.565 351 L N 0.129 121.161 121.223 -0.318 0.000 2.353 351 L HA -0.017 4.323 4.340 -0.000 0.000 0.220 351 L C 2.500 179.344 176.870 -0.043 0.000 1.133 351 L CA 1.177 55.850 54.840 -0.278 0.000 0.798 351 L CB -0.779 40.913 42.059 -0.612 0.000 0.922 351 L HN 0.906 nan 8.230 nan 0.000 0.445 352 A N -0.844 122.015 122.820 0.065 0.000 2.275 352 A HA 0.372 4.692 4.320 -0.000 0.000 0.212 352 A C 1.689 179.353 177.584 0.133 0.000 1.201 352 A CA 0.628 52.782 52.037 0.194 0.000 0.843 352 A CB -0.033 19.156 19.000 0.315 0.000 0.873 352 A HN 0.453 nan 8.150 nan 0.000 0.492 353 G N -1.072 107.778 108.800 0.082 0.000 2.141 353 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.242 353 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.242 353 G C -0.011 174.925 174.900 0.059 0.000 0.982 353 G CA 0.265 45.408 45.100 0.072 0.000 0.662 353 G HN 0.427 nan 8.290 nan 0.000 0.527 354 L N 2.100 123.378 121.223 0.092 0.000 2.312 354 L HA 0.464 4.804 4.340 -0.000 0.000 0.281 354 L C -1.433 175.482 176.870 0.076 0.000 1.070 354 L CA -2.398 52.512 54.840 0.117 0.000 0.805 354 L CB 1.265 43.481 42.059 0.262 0.000 1.174 354 L HN -0.066 nan 8.230 nan 0.000 0.434 355 P HA 0.032 nan 4.420 nan 0.000 0.266 355 P C -0.631 176.759 177.300 0.149 0.000 1.195 355 P CA -0.146 62.967 63.100 0.021 0.000 0.768 355 P CB 0.694 32.362 31.700 -0.054 0.000 0.838 356 T N -1.034 113.587 114.554 0.110 0.000 2.918 356 T HA 0.509 4.859 4.350 -0.000 0.000 0.286 356 T C 0.528 175.309 174.700 0.136 0.000 1.026 356 T CA -0.645 61.553 62.100 0.163 0.000 1.031 356 T CB 0.908 69.850 68.868 0.123 0.000 1.046 356 T HN 0.458 nan 8.240 nan 0.000 0.479 357 S N 1.289 117.074 115.700 0.141 0.000 2.640 357 S HA 0.215 4.685 4.470 -0.000 0.000 0.262 357 S C 0.490 175.071 174.600 -0.031 0.000 1.232 357 S CA -0.423 57.797 58.200 0.034 0.000 0.988 357 S CB 0.003 63.172 63.200 -0.052 0.000 1.034 357 S HN 0.688 nan 8.310 nan 0.000 0.569 358 D N -0.347 119.981 120.400 -0.120 0.000 2.309 358 D HA 0.027 4.667 4.640 -0.000 0.000 0.212 358 D C 0.844 177.056 176.300 -0.146 0.000 0.968 358 D CA 0.788 54.705 54.000 -0.139 0.000 0.882 358 D CB -0.308 40.362 40.800 -0.216 0.000 0.918 358 D HN 0.483 nan 8.370 nan 0.000 0.503 359 F N 0.032 119.747 119.950 -0.392 0.000 2.749 359 F HA 0.296 4.823 4.527 -0.000 0.000 0.300 359 F C 1.617 177.233 175.800 -0.307 0.000 1.103 359 F CA 0.080 57.776 58.000 -0.507 0.000 1.342 359 F CB 0.278 38.577 39.000 -1.169 0.000 1.098 359 F HN 0.049 nan 8.300 nan 0.000 0.586 360 G N -0.241 108.604 108.800 0.076 0.000 2.149 360 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.235 360 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.235 360 G C -0.377 174.755 174.900 0.386 0.000 1.018 360 G CA -0.182 45.037 45.100 0.199 0.000 0.728 360 G HN 0.113 nan 8.290 nan 0.000 0.508 361 W N 0.936 122.292 121.300 0.094 0.000 2.433 361 W HA 0.642 5.302 4.660 -0.000 0.000 0.315 361 W C 0.477 177.058 176.519 0.104 0.000 1.087 361 W CA -2.122 55.239 57.345 0.026 0.000 1.205 361 W CB 0.725 30.170 29.460 -0.025 0.000 1.288 361 W HN 0.330 nan 8.180 nan 0.000 0.504 362 E N 2.463 122.845 120.200 0.303 0.000 2.354 362 E HA 0.080 4.430 4.350 -0.000 0.000 0.269 362 E C -0.929 175.937 176.600 0.443 0.000 1.036 362 E CA -0.561 56.028 56.400 0.315 0.000 0.876 362 E CB 0.601 30.439 29.700 0.230 0.000 1.009 362 E HN 0.255 nan 8.360 nan 0.000 0.416 363 F N 5.927 126.082 119.950 0.342 0.000 2.466 363 F HA 0.235 4.762 4.527 -0.000 0.000 0.363 363 F C -1.142 174.909 175.800 0.418 0.000 1.109 363 F CA -0.100 58.145 58.000 0.408 0.000 1.161 363 F CB 0.070 39.261 39.000 0.319 0.000 1.117 363 F HN 0.414 nan 8.300 nan 0.000 0.539 364 F N 9.629 129.598 119.950 0.032 0.000 3.065 364 F HA 0.381 4.908 4.527 -0.000 0.000 0.383 364 F C -2.274 173.484 175.800 -0.069 0.000 1.259 364 F CA -2.024 56.011 58.000 0.058 0.000 1.217 364 F CB 0.613 39.709 39.000 0.159 0.000 2.042 364 F HN 0.242 nan 8.300 nan 0.000 0.641 365 P HA -0.189 nan 4.420 nan 0.000 0.215 365 P C 1.125 178.092 177.300 -0.555 0.000 1.157 365 P CA 1.774 64.313 63.100 -0.934 0.000 0.868 365 P CB 0.317 31.509 31.700 -0.847 0.000 0.788 366 E N -0.530 119.299 120.200 -0.617 0.000 2.187 366 E HA -0.176 4.173 4.350 -0.000 0.000 0.199 366 E C 2.267 178.739 176.600 -0.213 0.000 1.004 366 E CA 1.540 57.686 56.400 -0.423 0.000 0.813 366 E CB -1.435 27.947 29.700 -0.531 0.000 0.736 366 E HN 0.272 nan 8.360 nan 0.000 0.468 367 G N 0.922 109.653 108.800 -0.115 0.000 2.475 367 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.220 367 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.220 367 G C 1.469 176.029 174.900 -0.567 0.000 1.125 367 G CA 0.801 45.944 45.100 0.072 0.000 0.755 367 G HN 0.209 nan 8.290 nan 0.000 0.565 368 L N -0.602 120.101 121.223 -0.868 0.000 2.093 368 L HA 0.074 4.414 4.340 -0.000 0.000 0.208 368 L C 2.434 179.154 176.870 -0.250 0.000 1.085 368 L CA 1.488 55.873 54.840 -0.758 0.000 0.755 368 L CB -0.759 41.094 42.059 -0.343 0.000 0.904 368 L HN 0.355 nan 8.230 nan 0.000 0.435 369 Y N 0.238 120.392 120.300 -0.243 0.000 2.200 369 Y HA -0.249 4.301 4.550 -0.000 0.000 0.290 369 Y C 2.369 178.217 175.900 -0.087 0.000 1.137 369 Y CA 2.033 60.049 58.100 -0.141 0.000 1.163 369 Y CB -0.436 37.936 38.460 -0.147 0.000 0.988 369 Y HN 0.465 nan 8.280 nan 0.000 0.518 370 D N -0.397 119.960 120.400 -0.072 0.000 2.092 370 D HA -0.201 4.439 4.640 -0.000 0.000 0.193 370 D C 2.116 178.342 176.300 -0.124 0.000 0.994 370 D CA 2.127 56.078 54.000 -0.083 0.000 0.828 370 D CB -0.397 40.429 40.800 0.043 0.000 0.963 370 D HN 0.240 nan 8.370 nan 0.000 0.450 371 V N 0.404 120.250 119.914 -0.113 0.000 2.295 371 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 371 V C 2.719 178.846 176.094 0.056 0.000 1.049 371 V CA 1.397 63.667 62.300 -0.050 0.000 1.024 371 V CB -0.559 31.267 31.823 0.005 0.000 0.648 371 V HN 0.315 nan 8.190 nan 0.000 0.447 372 L N 0.465 121.697 121.223 0.014 0.000 1.989 372 L HA -0.209 4.131 4.340 -0.000 0.000 0.211 372 L C 2.867 179.763 176.870 0.043 0.000 1.071 372 L CA 2.337 57.218 54.840 0.068 0.000 0.749 372 L CB -1.209 40.843 42.059 -0.012 0.000 0.890 372 L HN 0.593 nan 8.230 nan 0.000 0.431 373 T N -3.191 111.263 114.554 -0.168 0.000 2.788 373 T HA -0.155 4.194 4.350 -0.000 0.000 0.268 373 T C 1.928 176.630 174.700 0.004 0.000 1.044 373 T CA 0.667 62.685 62.100 -0.136 0.000 1.139 373 T CB -0.170 68.446 68.868 -0.421 0.000 0.867 373 T HN 0.114 nan 8.240 nan 0.000 0.454 374 K N 0.511 120.909 120.400 -0.003 0.000 2.009 374 K HA -0.064 4.256 4.320 -0.000 0.000 0.210 374 K C 2.119 178.802 176.600 0.138 0.000 1.049 374 K CA 1.432 57.761 56.287 0.070 0.000 0.929 374 K CB -0.743 31.804 32.500 0.078 0.000 0.714 374 K HN 0.445 nan 8.250 nan 0.000 0.440 375 Y N 0.167 120.578 120.300 0.185 0.000 2.181 375 Y HA -0.242 4.308 4.550 -0.000 0.000 0.288 375 Y C 2.323 178.242 175.900 0.032 0.000 1.146 375 Y CA 1.135 59.338 58.100 0.171 0.000 1.164 375 Y CB -0.529 38.011 38.460 0.132 0.000 0.982 375 Y HN 0.308 nan 8.280 nan 0.000 0.515 376 W N 1.151 122.460 121.300 0.015 0.000 2.354 376 W HA -0.259 4.401 4.660 -0.000 0.000 0.315 376 W C 1.433 177.646 176.519 -0.509 0.000 1.206 376 W CA 1.747 58.989 57.345 -0.172 0.000 1.290 376 W CB -0.392 28.992 29.460 -0.127 0.000 1.152 376 W HN 0.092 nan 8.180 nan 0.000 0.489 377 N N 0.494 118.937 118.700 -0.428 0.000 2.443 377 N HA -0.163 4.577 4.740 -0.000 0.000 0.184 377 N C 1.789 176.922 175.510 -0.628 0.000 1.037 377 N CA 1.243 53.945 53.050 -0.579 0.000 0.896 377 N CB -0.498 37.856 38.487 -0.221 0.000 0.959 377 N HN 0.374 nan 8.380 nan 0.000 0.442 378 R N -0.681 119.418 120.500 -0.668 0.000 2.087 378 R HA 0.029 4.369 4.340 -0.000 0.000 0.216 378 R C 0.882 176.723 176.300 -0.766 0.000 1.114 378 R CA 0.798 56.382 56.100 -0.860 0.000 1.002 378 R CB 0.171 29.605 30.300 -1.443 0.000 0.903 378 R HN 0.131 nan 8.270 nan 0.000 0.445 379 Y N -1.444 118.664 120.300 -0.320 0.000 2.444 379 Y HA 0.247 4.797 4.550 -0.000 0.000 0.252 379 Y C -0.183 175.601 175.900 -0.193 0.000 1.091 379 Y CA -0.124 57.867 58.100 -0.182 0.000 1.276 379 Y CB 0.165 38.576 38.460 -0.082 0.000 1.170 379 Y HN 0.166 nan 8.280 nan 0.000 0.517 380 H N -0.463 118.383 119.070 -0.374 0.000 2.791 380 H HA -0.155 4.401 4.556 -0.000 0.000 0.302 380 H C -0.684 174.502 175.328 -0.236 0.000 1.198 380 H CA 0.451 55.969 56.048 -0.883 0.000 1.145 380 H CB -1.932 27.336 29.762 -0.823 0.000 1.385 380 H HN 0.204 nan 8.280 nan 0.000 0.409 381 L N 1.197 122.529 121.223 0.181 0.000 2.309 381 L HA 0.308 4.648 4.340 -0.000 0.000 0.282 381 L C 0.906 178.049 176.870 0.456 0.000 1.036 381 L CA -1.297 53.711 54.840 0.279 0.000 0.806 381 L CB 0.614 42.738 42.059 0.108 0.000 1.220 381 L HN 0.242 nan 8.230 nan 0.000 0.429 382 Y N 2.476 123.014 120.300 0.397 0.000 2.426 382 Y HA 0.508 5.058 4.550 -0.000 0.000 0.344 382 Y C -0.030 175.961 175.900 0.151 0.000 1.256 382 Y CA -1.024 57.207 58.100 0.219 0.000 1.451 382 Y CB 0.484 38.974 38.460 0.051 0.000 1.342 382 Y HN 0.549 nan 8.280 nan 0.000 0.600 383 M N 1.363 121.040 119.600 0.129 0.000 2.683 383 M HA 0.587 5.067 4.480 -0.000 0.000 0.274 383 M C -2.381 173.882 176.300 -0.061 0.000 1.272 383 M CA -1.049 54.294 55.300 0.071 0.000 0.833 383 M CB 2.343 34.987 32.600 0.074 0.000 1.708 383 M HN 0.679 nan 8.290 nan 0.000 0.463 384 Y N -0.224 120.181 120.300 0.174 0.000 2.446 384 Y HA 0.570 5.120 4.550 -0.000 0.000 0.345 384 Y C -0.361 175.610 175.900 0.118 0.000 0.984 384 Y CA -0.908 57.230 58.100 0.064 0.000 1.058 384 Y CB 2.399 40.829 38.460 -0.050 0.000 1.220 384 Y HN 0.469 nan 8.280 nan 0.000 0.455 385 V N 3.124 123.200 119.914 0.269 0.000 2.313 385 V HA 0.027 4.147 4.120 -0.000 0.000 0.252 385 V C 0.811 176.968 176.094 0.106 0.000 1.112 385 V CA 0.313 62.729 62.300 0.193 0.000 0.984 385 V CB -0.155 31.805 31.823 0.229 0.000 1.157 385 V HN 1.055 nan 8.190 nan 0.000 0.493 386 T N 0.900 115.549 114.554 0.160 0.000 3.085 386 T HA 0.133 4.483 4.350 -0.000 0.000 0.263 386 T C 0.458 175.223 174.700 0.107 0.000 1.127 386 T CA 0.448 62.630 62.100 0.136 0.000 1.103 386 T CB 0.221 69.221 68.868 0.220 0.000 0.921 386 T HN 0.641 nan 8.240 nan 0.000 0.510 387 E N 0.419 120.646 120.200 0.044 0.000 2.347 387 E HA 0.515 4.865 4.350 -0.000 0.000 0.285 387 E C -1.721 174.760 176.600 -0.200 0.000 0.925 387 E CA -0.753 55.661 56.400 0.023 0.000 0.779 387 E CB 1.756 31.502 29.700 0.077 0.000 1.233 387 E HN 0.217 nan 8.360 nan 0.000 0.414 388 N N 1.354 119.918 118.700 -0.227 0.000 2.666 388 N HA 0.587 5.327 4.740 -0.000 0.000 0.260 388 N C -1.287 174.138 175.510 -0.142 0.000 1.077 388 N CA -0.077 52.821 53.050 -0.253 0.000 1.026 388 N CB 1.908 40.410 38.487 0.026 0.000 1.653 388 N HN 0.638 nan 8.380 nan 0.000 0.533 389 G N 1.344 110.196 108.800 0.085 0.000 2.427 389 G HA2 0.551 4.510 3.960 -0.000 0.000 0.306 389 G HA3 0.551 4.510 3.960 -0.000 0.000 0.306 389 G C -1.907 173.030 174.900 0.062 0.000 1.280 389 G CA -0.446 44.705 45.100 0.085 0.000 0.837 389 G HN 0.733 nan 8.290 nan 0.000 0.482 390 I N -0.532 120.074 120.570 0.060 0.000 2.743 390 I HA 0.628 4.798 4.170 -0.000 0.000 0.292 390 I C -0.407 175.307 176.117 -0.672 0.000 1.343 390 I CA -1.094 60.019 61.300 -0.312 0.000 1.038 390 I CB 1.956 39.604 38.000 -0.588 0.000 1.311 390 I HN 1.045 nan 8.210 nan 0.000 0.426 391 A N 4.573 126.705 122.820 -1.146 0.000 2.410 391 A HA 0.458 4.777 4.320 -0.000 0.000 0.292 391 A C -0.619 176.665 177.584 -0.501 0.000 1.232 391 A CA 0.246 51.595 52.037 -1.146 0.000 0.893 391 A CB -0.255 18.098 19.000 -1.078 0.000 1.131 391 A HN 0.585 nan 8.150 nan 0.000 0.530 392 D N 2.277 122.472 120.400 -0.341 0.000 2.445 392 D HA 0.108 4.748 4.640 -0.000 0.000 0.236 392 D C 0.266 176.463 176.300 -0.171 0.000 1.315 392 D CA -0.346 53.538 54.000 -0.194 0.000 0.924 392 D CB 0.749 41.486 40.800 -0.106 0.000 1.447 392 D HN 0.430 nan 8.370 nan 0.000 0.532 393 D N 2.036 122.330 120.400 -0.177 0.000 2.117 393 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 393 D C 1.794 177.969 176.300 -0.207 0.000 0.987 393 D CA 1.635 55.542 54.000 -0.154 0.000 0.829 393 D CB 0.349 41.074 40.800 -0.125 0.000 0.961 393 D HN 0.368 nan 8.370 nan 0.000 0.460 394 A N -0.280 122.341 122.820 -0.333 0.000 2.066 394 A HA -0.004 4.315 4.320 -0.000 0.000 0.218 394 A C 1.120 178.400 177.584 -0.506 0.000 1.157 394 A CA 1.461 53.147 52.037 -0.585 0.000 0.670 394 A CB -0.238 18.012 19.000 -1.249 0.000 0.804 394 A HN 0.336 nan 8.150 nan 0.000 0.453 395 D N -4.570 115.656 120.400 -0.291 0.000 3.017 395 D HA -0.190 4.450 4.640 -0.000 0.000 0.220 395 D C 0.169 176.502 176.300 0.055 0.000 1.141 395 D CA 0.970 54.920 54.000 -0.083 0.000 0.848 395 D CB -1.767 39.008 40.800 -0.041 0.000 1.102 395 D HN 0.476 nan 8.370 nan 0.000 0.427 396 Y N -0.003 120.349 120.300 0.086 0.000 2.220 396 Y HA 0.034 4.584 4.550 -0.000 0.000 0.291 396 Y C 2.536 178.555 175.900 0.199 0.000 1.129 396 Y CA 1.524 59.695 58.100 0.118 0.000 1.161 396 Y CB -0.359 38.144 38.460 0.071 0.000 0.997 396 Y HN 0.329 nan 8.280 nan 0.000 0.522 397 Q N -1.014 118.994 119.800 0.348 0.000 2.392 397 Q HA 0.056 4.396 4.340 -0.000 0.000 0.219 397 Q C 2.173 178.454 176.000 0.468 0.000 0.895 397 Q CA -0.090 55.946 55.803 0.389 0.000 0.929 397 Q CB 0.157 29.087 28.738 0.319 0.000 1.077 397 Q HN 0.318 nan 8.270 nan 0.000 0.532 398 R N 1.265 121.952 120.500 0.313 0.000 2.103 398 R HA -0.156 4.184 4.340 -0.000 0.000 0.242 398 R C -0.866 175.619 176.300 0.307 0.000 1.142 398 R CA 1.699 57.974 56.100 0.292 0.000 0.960 398 R CB -0.726 29.667 30.300 0.154 0.000 0.858 398 R HN 0.134 nan 8.270 nan 0.000 0.439 399 P HA -0.161 nan 4.420 nan 0.000 0.215 399 P C 0.517 177.867 177.300 0.083 0.000 1.157 399 P CA 1.478 64.619 63.100 0.069 0.000 0.868 399 P CB -0.121 31.543 31.700 -0.060 0.000 0.788 400 Y N -2.888 117.547 120.300 0.224 0.000 2.200 400 Y HA -0.177 4.373 4.550 -0.000 0.000 0.290 400 Y C 2.581 178.783 175.900 0.504 0.000 1.137 400 Y CA 1.172 59.437 58.100 0.275 0.000 1.163 400 Y CB -1.384 37.203 38.460 0.212 0.000 0.988 400 Y HN -0.060 nan 8.280 nan 0.000 0.518 401 Y N 0.178 120.888 120.300 0.684 0.000 2.145 401 Y HA -0.263 4.287 4.550 -0.000 0.000 0.286 401 Y C 2.369 178.540 175.900 0.453 0.000 1.145 401 Y CA 1.299 59.758 58.100 0.597 0.000 1.148 401 Y CB -0.631 38.118 38.460 0.482 0.000 0.981 401 Y HN 0.146 nan 8.280 nan 0.000 0.507 402 L N -0.491 121.052 121.223 0.532 0.000 1.970 402 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 402 L C 2.275 179.252 176.870 0.178 0.000 1.071 402 L CA 2.048 57.072 54.840 0.306 0.000 0.751 402 L CB -1.262 40.827 42.059 0.049 0.000 0.889 402 L HN 0.120 nan 8.230 nan 0.000 0.432 403 V N -0.547 119.442 119.914 0.126 0.000 2.332 403 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 403 V C 2.601 178.757 176.094 0.104 0.000 1.055 403 V CA 1.897 64.237 62.300 0.068 0.000 1.038 403 V CB -0.900 30.917 31.823 -0.010 0.000 0.651 403 V HN 0.545 nan 8.190 nan 0.000 0.450 404 S N -0.894 114.893 115.700 0.145 0.000 2.356 404 S HA -0.230 4.240 4.470 -0.000 0.000 0.223 404 S C 1.879 176.486 174.600 0.012 0.000 1.032 404 S CA 1.845 60.090 58.200 0.075 0.000 1.005 404 S CB -0.393 62.857 63.200 0.083 0.000 0.867 404 S HN 0.734 nan 8.310 nan 0.000 0.449 405 H N 0.234 119.293 119.070 -0.019 0.000 2.428 405 H HA 0.113 4.668 4.556 -0.000 0.000 0.296 405 H C 2.057 177.447 175.328 0.102 0.000 1.062 405 H CA 1.028 57.094 56.048 0.030 0.000 1.350 405 H CB -0.361 29.446 29.762 0.076 0.000 1.403 405 H HN 0.130 nan 8.280 nan 0.000 0.533 406 V N 0.473 120.470 119.914 0.137 0.000 2.407 406 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 406 V C 2.045 178.305 176.094 0.277 0.000 1.055 406 V CA 1.897 64.239 62.300 0.070 0.000 1.049 406 V CB -0.639 31.158 31.823 -0.044 0.000 0.662 406 V HN 0.481 nan 8.190 nan 0.000 0.455 407 Y N 1.068 121.398 120.300 0.050 0.000 2.181 407 Y HA -0.246 4.304 4.550 -0.000 0.000 0.288 407 Y C 2.625 178.506 175.900 -0.032 0.000 1.146 407 Y CA 1.778 59.827 58.100 -0.085 0.000 1.164 407 Y CB -0.244 38.060 38.460 -0.261 0.000 0.982 407 Y HN 0.202 nan 8.280 nan 0.000 0.515 408 Q N -0.131 119.588 119.800 -0.135 0.000 2.170 408 Q HA -0.125 4.215 4.340 -0.000 0.000 0.203 408 Q C 2.512 178.489 176.000 -0.039 0.000 0.976 408 Q CA 1.588 57.280 55.803 -0.184 0.000 0.858 408 Q CB -0.732 27.959 28.738 -0.078 0.000 0.907 408 Q HN 0.508 nan 8.270 nan 0.000 0.433 409 V N 0.091 120.072 119.914 0.112 0.000 2.427 409 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 409 V C 2.222 178.372 176.094 0.093 0.000 1.051 409 V CA 2.015 64.443 62.300 0.213 0.000 1.048 409 V CB -0.678 31.407 31.823 0.436 0.000 0.666 409 V HN 0.398 nan 8.190 nan 0.000 0.456 410 H N 0.621 119.619 119.070 -0.121 0.000 2.353 410 H HA -0.166 4.389 4.556 -0.000 0.000 0.300 410 H C 2.452 177.550 175.328 -0.383 0.000 1.090 410 H CA 2.185 57.930 56.048 -0.506 0.000 1.327 410 H CB -0.046 29.318 29.762 -0.663 0.000 1.383 410 H HN 0.247 nan 8.280 nan 0.000 0.508 411 R N -0.259 120.023 120.500 -0.364 0.000 2.115 411 R HA -0.055 4.285 4.340 -0.000 0.000 0.230 411 R C 2.301 178.586 176.300 -0.026 0.000 1.111 411 R CA 1.089 56.995 56.100 -0.324 0.000 0.976 411 R CB -0.280 29.689 30.300 -0.553 0.000 0.870 411 R HN 0.428 nan 8.270 nan 0.000 0.445 412 A N 0.538 123.410 122.820 0.086 0.000 1.929 412 A HA -0.062 4.257 4.320 -0.000 0.000 0.216 412 A C 2.061 179.575 177.584 -0.116 0.000 1.176 412 A CA 0.975 53.048 52.037 0.060 0.000 0.628 412 A CB -0.331 18.649 19.000 -0.033 0.000 0.816 412 A HN 0.318 nan 8.150 nan 0.000 0.444 413 I N 0.077 120.531 120.570 -0.194 0.000 2.252 413 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 413 I C 1.968 177.924 176.117 -0.268 0.000 1.102 413 I CA 1.094 62.236 61.300 -0.263 0.000 1.385 413 I CB -0.403 37.409 38.000 -0.313 0.000 1.064 413 I HN 0.386 nan 8.210 nan 0.000 0.414 414 N N 0.216 118.734 118.700 -0.302 0.000 2.453 414 N HA -0.082 4.657 4.740 -0.000 0.000 0.183 414 N C 1.647 177.095 175.510 -0.102 0.000 1.041 414 N CA 0.855 53.769 53.050 -0.226 0.000 0.900 414 N CB 0.123 38.454 38.487 -0.260 0.000 0.961 414 N HN 0.234 nan 8.380 nan 0.000 0.443 415 S N -0.781 114.885 115.700 -0.055 0.000 2.558 415 S HA 0.146 4.616 4.470 -0.000 0.000 0.217 415 S C 1.443 176.036 174.600 -0.011 0.000 0.975 415 S CA 0.620 58.832 58.200 0.021 0.000 0.912 415 S CB 0.560 63.827 63.200 0.111 0.000 0.776 415 S HN 0.612 nan 8.310 nan 0.000 0.526 416 G N 0.852 109.585 108.800 -0.111 0.000 2.211 416 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.201 416 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.201 416 G C 0.169 174.750 174.900 -0.531 0.000 0.997 416 G CA -0.256 44.761 45.100 -0.138 0.000 0.652 416 G HN 0.761 nan 8.290 nan 0.000 0.500 417 A N 0.435 122.839 122.820 -0.692 0.000 2.477 417 A HA 0.487 4.807 4.320 -0.000 0.000 0.246 417 A C 0.227 177.194 177.584 -1.028 0.000 1.078 417 A CA 0.707 51.982 52.037 -1.270 0.000 0.770 417 A CB 0.370 19.044 19.000 -0.542 0.000 1.011 417 A HN 0.334 nan 8.150 nan 0.000 0.494 418 D N 2.576 122.135 120.400 -1.402 0.000 2.468 418 D HA 0.364 5.004 4.640 -0.000 0.000 0.218 418 D C -0.816 175.322 176.300 -0.270 0.000 1.155 418 D CA 0.124 53.732 54.000 -0.653 0.000 0.924 418 D CB 0.176 40.673 40.800 -0.505 0.000 1.029 418 D HN 0.105 nan 8.370 nan 0.000 0.515 419 V N 5.481 125.301 119.914 -0.157 0.000 2.357 419 V HA 0.348 4.467 4.120 -0.000 0.000 0.284 419 V C 1.365 177.465 176.094 0.010 0.000 1.018 419 V CA -0.641 61.648 62.300 -0.018 0.000 0.841 419 V CB 1.567 33.466 31.823 0.127 0.000 0.991 419 V HN 0.384 nan 8.190 nan 0.000 0.437 420 R N 2.801 123.117 120.500 -0.307 0.000 2.334 420 R HA 0.460 4.799 4.340 -0.000 0.000 0.216 420 R C 0.752 176.620 176.300 -0.720 0.000 0.905 420 R CA 0.383 56.201 56.100 -0.471 0.000 1.064 420 R CB 0.885 30.752 30.300 -0.722 0.000 1.046 420 R HN 0.830 nan 8.270 nan 0.000 0.508 421 G N -0.215 108.170 108.800 -0.692 0.000 2.523 421 G HA2 0.252 4.212 3.960 -0.000 0.000 0.291 421 G HA3 0.252 4.212 3.960 -0.000 0.000 0.291 421 G C -2.383 172.347 174.900 -0.283 0.000 1.450 421 G CA -0.620 43.923 45.100 -0.929 0.000 0.790 421 G HN 0.074 nan 8.290 nan 0.000 0.496 422 Y N 0.674 120.772 120.300 -0.337 0.000 2.329 422 Y HA 0.702 5.252 4.550 -0.000 0.000 0.328 422 Y C -1.503 174.551 175.900 0.257 0.000 0.992 422 Y CA -1.129 57.055 58.100 0.139 0.000 1.151 422 Y CB 1.532 40.209 38.460 0.361 0.000 1.150 422 Y HN 0.386 nan 8.280 nan 0.000 0.450 423 L N 6.920 128.047 121.223 -0.161 0.000 2.301 423 L HA 0.308 4.647 4.340 -0.000 0.000 0.278 423 L C -0.340 176.474 176.870 -0.093 0.000 1.022 423 L CA -0.652 54.194 54.840 0.011 0.000 0.854 423 L CB 0.496 42.562 42.059 0.010 0.000 1.226 423 L HN 0.686 nan 8.230 nan 0.000 0.429 424 H N 2.909 121.972 119.070 -0.011 0.000 2.928 424 H HA -0.066 4.490 4.556 -0.000 0.000 0.338 424 H C -0.552 174.894 175.328 0.198 0.000 1.047 424 H CA 0.264 56.332 56.048 0.033 0.000 1.435 424 H CB 0.626 30.425 29.762 0.062 0.000 1.428 424 H HN 0.642 nan 8.280 nan 0.000 0.590 425 W N 6.712 127.840 121.300 -0.286 0.000 2.659 425 W HA 0.238 4.898 4.660 -0.000 0.000 0.342 425 W C -0.781 175.805 176.519 0.111 0.000 1.287 425 W CA 0.063 57.397 57.345 -0.019 0.000 1.460 425 W CB -0.337 29.161 29.460 0.063 0.000 1.503 425 W HN 0.756 nan 8.180 nan 0.000 0.483 426 S N 3.695 119.057 115.700 -0.564 0.000 3.152 426 S HA -0.257 4.213 4.470 -0.000 0.000 0.857 426 S C 0.786 175.297 174.600 -0.148 0.000 1.044 426 S CA 0.127 58.053 58.200 -0.458 0.000 1.231 426 S CB -0.542 62.087 63.200 -0.953 0.000 0.871 426 S HN 0.733 nan 8.310 nan 0.000 0.252 427 L N 1.574 122.642 121.223 -0.259 0.000 2.056 427 L HA 0.124 4.464 4.340 -0.000 0.000 0.207 427 L C 1.046 177.679 176.870 -0.394 0.000 1.078 427 L CA 2.080 56.628 54.840 -0.486 0.000 0.749 427 L CB -0.397 41.057 42.059 -1.008 0.000 0.901 427 L HN 0.881 nan 8.230 nan 0.000 0.433 428 A N -1.120 121.506 122.820 -0.322 0.000 2.469 428 A HA 0.427 4.747 4.320 -0.000 0.000 0.299 428 A C -1.124 176.402 177.584 -0.096 0.000 1.098 428 A CA -0.852 51.023 52.037 -0.270 0.000 0.737 428 A CB 0.885 19.612 19.000 -0.454 0.000 1.312 428 A HN 0.107 nan 8.150 nan 0.000 0.414 429 D N 1.600 121.979 120.400 -0.035 0.000 2.390 429 D HA 0.214 4.854 4.640 -0.000 0.000 0.236 429 D C 0.036 176.481 176.300 0.241 0.000 1.189 429 D CA 0.796 54.873 54.000 0.128 0.000 0.887 429 D CB 0.436 41.321 40.800 0.142 0.000 1.198 429 D HN 0.685 nan 8.370 nan 0.000 0.444 430 N N -0.503 118.421 118.700 0.374 0.000 3.364 430 N HA 0.040 4.780 4.740 -0.000 0.000 0.294 430 N C -1.344 174.419 175.510 0.421 0.000 1.562 430 N CA -0.697 52.605 53.050 0.420 0.000 0.862 430 N CB 0.628 39.256 38.487 0.234 0.000 1.691 430 N HN 0.276 nan 8.380 nan 0.000 0.572 431 Y N 1.196 121.517 120.300 0.035 0.000 2.584 431 Y HA 0.132 4.681 4.550 -0.000 0.000 0.351 431 Y C 0.282 175.911 175.900 -0.451 0.000 1.030 431 Y CA 0.014 57.863 58.100 -0.417 0.000 1.332 431 Y CB 0.277 38.341 38.460 -0.660 0.000 1.148 431 Y HN 0.372 nan 8.280 nan 0.000 0.528 432 E N 7.149 127.043 120.200 -0.511 0.000 2.346 432 E HA -0.008 4.342 4.350 -0.000 0.000 0.317 432 E C -0.162 176.251 176.600 -0.312 0.000 1.404 432 E CA 0.097 56.324 56.400 -0.289 0.000 1.534 432 E CB -0.598 29.105 29.700 0.006 0.000 1.309 432 E HN 0.820 nan 8.360 nan 0.000 0.499 433 W N 0.852 121.918 121.300 -0.389 0.000 1.816 433 W HA -0.467 4.192 4.660 -0.000 0.000 0.276 433 W C 1.954 178.384 176.519 -0.148 0.000 1.064 433 W CA 1.243 58.416 57.345 -0.285 0.000 1.013 433 W CB -1.649 27.688 29.460 -0.205 0.000 0.878 433 W HN 0.387 nan 8.180 nan 0.000 0.555 434 A N -0.501 122.639 122.820 0.533 0.000 2.076 434 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 434 A C 1.813 179.504 177.584 0.178 0.000 1.160 434 A CA 2.459 54.752 52.037 0.426 0.000 0.653 434 A CB -1.002 18.341 19.000 0.572 0.000 0.801 434 A HN 0.450 nan 8.150 nan 0.000 0.455 435 S N -1.361 114.411 115.700 0.120 0.000 2.489 435 S HA 0.375 4.845 4.470 -0.000 0.000 0.228 435 S C 1.299 175.766 174.600 -0.221 0.000 0.995 435 S CA 0.793 58.980 58.200 -0.021 0.000 0.934 435 S CB -0.390 62.788 63.200 -0.037 0.000 0.771 435 S HN 1.602 nan 8.310 nan 0.000 0.522 436 G N 1.131 109.630 108.800 -0.502 0.000 2.584 436 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.229 436 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.229 436 G C 0.077 174.615 174.900 -0.603 0.000 1.320 436 G CA -0.128 44.556 45.100 -0.693 0.000 0.891 436 G HN 0.265 nan 8.290 nan 0.000 0.573 437 F N 1.942 121.781 119.950 -0.185 0.000 2.789 437 F HA 0.164 4.691 4.527 -0.000 0.000 0.300 437 F C 2.881 178.627 175.800 -0.090 0.000 1.132 437 F CA 1.358 59.263 58.000 -0.159 0.000 1.404 437 F CB 0.066 38.839 39.000 -0.379 0.000 1.114 437 F HN 0.544 nan 8.300 nan 0.000 0.584 438 S N -0.478 115.234 115.700 0.021 0.000 2.419 438 S HA -0.104 4.366 4.470 -0.000 0.000 0.233 438 S C 1.103 175.640 174.600 -0.105 0.000 1.016 438 S CA 0.688 58.870 58.200 -0.031 0.000 0.974 438 S CB -0.358 62.795 63.200 -0.079 0.000 0.786 438 S HN 0.082 nan 8.310 nan 0.000 0.492 439 M N 2.777 122.278 119.600 -0.166 0.000 2.151 439 M HA 0.354 4.834 4.480 -0.000 0.000 0.349 439 M C -0.431 175.859 176.300 -0.016 0.000 1.284 439 M CA 0.286 55.429 55.300 -0.263 0.000 1.173 439 M CB 0.361 32.664 32.600 -0.496 0.000 1.469 439 M HN 0.205 nan 8.290 nan 0.000 0.439 440 R N 2.334 122.786 120.500 -0.081 0.000 2.204 440 R HA 0.302 4.642 4.340 -0.000 0.000 0.341 440 R C -0.061 176.225 176.300 -0.022 0.000 1.035 440 R CA -0.138 55.989 56.100 0.046 0.000 0.887 440 R CB 0.508 30.821 30.300 0.021 0.000 1.114 440 R HN 0.476 nan 8.270 nan 0.000 0.473 441 F N 0.478 120.486 119.950 0.097 0.000 2.727 441 F HA 0.199 4.725 4.527 -0.000 0.000 0.302 441 F C 1.731 177.564 175.800 0.055 0.000 1.097 441 F CA -0.281 57.800 58.000 0.135 0.000 1.330 441 F CB 0.460 39.686 39.000 0.376 0.000 1.084 441 F HN 0.548 nan 8.300 nan 0.000 0.578 442 G N 0.121 109.008 108.800 0.144 0.000 2.527 442 G HA2 0.287 4.247 3.960 -0.000 0.000 0.248 442 G HA3 0.287 4.247 3.960 -0.000 0.000 0.248 442 G C 0.844 175.740 174.900 -0.007 0.000 1.231 442 G CA -0.429 44.683 45.100 0.019 0.000 0.838 442 G HN 0.243 nan 8.290 nan 0.000 0.570 443 L N 0.277 121.458 121.223 -0.070 0.000 2.240 443 L HA 0.194 4.534 4.340 -0.000 0.000 0.211 443 L C 0.763 177.499 176.870 -0.223 0.000 1.106 443 L CA 0.617 55.375 54.840 -0.137 0.000 0.793 443 L CB -0.234 41.706 42.059 -0.197 0.000 0.927 443 L HN 0.251 nan 8.230 nan 0.000 0.446 444 L N 0.312 121.370 121.223 -0.274 0.000 2.322 444 L HA 0.337 4.676 4.340 -0.000 0.000 0.281 444 L C -0.042 176.727 176.870 -0.169 0.000 1.014 444 L CA -0.465 54.201 54.840 -0.290 0.000 0.815 444 L CB 1.703 43.489 42.059 -0.456 0.000 1.247 444 L HN -0.060 nan 8.230 nan 0.000 0.421 445 K N 2.453 122.813 120.400 -0.066 0.000 2.249 445 K HA 0.454 4.774 4.320 -0.000 0.000 0.280 445 K C -1.044 175.528 176.600 -0.047 0.000 1.033 445 K CA -0.466 55.799 56.287 -0.038 0.000 0.946 445 K CB 1.357 33.857 32.500 -0.000 0.000 1.005 445 K HN 0.365 nan 8.250 nan 0.000 0.469 446 V N 4.080 123.889 119.914 -0.176 0.000 2.398 446 V HA 0.076 4.196 4.120 -0.000 0.000 0.286 446 V C -0.326 175.539 176.094 -0.382 0.000 1.026 446 V CA -0.767 61.325 62.300 -0.348 0.000 0.868 446 V CB 1.446 32.865 31.823 -0.674 0.000 0.982 446 V HN 0.817 nan 8.190 nan 0.000 0.443 447 D N 3.611 123.899 120.400 -0.185 0.000 2.411 447 D HA 0.159 4.799 4.640 -0.000 0.000 0.225 447 D C 0.425 176.610 176.300 -0.192 0.000 1.156 447 D CA -0.219 53.725 54.000 -0.093 0.000 0.874 447 D CB 0.862 41.725 40.800 0.105 0.000 1.034 447 D HN 0.500 nan 8.370 nan 0.000 0.502 448 Y N 2.759 123.011 120.300 -0.079 0.000 2.569 448 Y HA -0.100 4.450 4.550 -0.000 0.000 0.293 448 Y C 1.924 177.762 175.900 -0.103 0.000 1.144 448 Y CA 0.616 58.624 58.100 -0.152 0.000 1.321 448 Y CB -0.187 38.082 38.460 -0.319 0.000 0.982 448 Y HN 0.426 nan 8.280 nan 0.000 0.558 449 N N -0.970 117.760 118.700 0.050 0.000 2.197 449 N HA -0.113 4.627 4.740 -0.000 0.000 0.184 449 N C 1.928 177.451 175.510 0.021 0.000 1.030 449 N CA 1.923 54.992 53.050 0.033 0.000 0.851 449 N CB -0.194 38.310 38.487 0.028 0.000 1.003 449 N HN 0.302 nan 8.380 nan 0.000 0.430 450 T N -2.467 112.095 114.554 0.013 0.000 3.057 450 T HA 0.182 4.532 4.350 -0.000 0.000 0.254 450 T C 0.375 175.068 174.700 -0.012 0.000 1.094 450 T CA 0.136 62.239 62.100 0.005 0.000 1.088 450 T CB 0.201 69.076 68.868 0.012 0.000 0.934 450 T HN -0.035 nan 8.240 nan 0.000 0.497 451 K N 0.156 120.538 120.400 -0.030 0.000 3.391 451 K HA -0.152 4.168 4.320 -0.000 0.000 0.307 451 K C 0.231 176.786 176.600 -0.075 0.000 1.304 451 K CA 0.569 56.830 56.287 -0.043 0.000 0.904 451 K CB -1.998 30.513 32.500 0.018 0.000 1.293 451 K HN 0.683 nan 8.250 nan 0.000 0.470 452 R N 0.967 121.408 120.500 -0.098 0.000 2.539 452 R HA 0.418 4.758 4.340 -0.000 0.000 0.275 452 R C -0.018 176.114 176.300 -0.280 0.000 1.077 452 R CA -0.339 55.644 56.100 -0.194 0.000 1.097 452 R CB 0.512 30.686 30.300 -0.210 0.000 1.018 452 R HN 0.112 nan 8.270 nan 0.000 0.483 453 L N 4.269 125.263 121.223 -0.381 0.000 2.325 453 L HA 0.445 4.785 4.340 -0.000 0.000 0.278 453 L C -1.069 175.546 176.870 -0.425 0.000 1.023 453 L CA -0.870 53.767 54.840 -0.338 0.000 0.811 453 L CB 1.315 43.173 42.059 -0.335 0.000 1.249 453 L HN 0.623 nan 8.230 nan 0.000 0.431 454 Y N -0.335 119.937 120.300 -0.047 0.000 2.446 454 Y HA 0.342 4.892 4.550 -0.000 0.000 0.345 454 Y C -0.786 175.177 175.900 0.104 0.000 0.984 454 Y CA -0.513 57.625 58.100 0.064 0.000 1.058 454 Y CB 1.794 40.257 38.460 0.005 0.000 1.220 454 Y HN 0.413 nan 8.280 nan 0.000 0.455 455 W N 4.283 125.617 121.300 0.058 0.000 2.416 455 W HA 0.469 5.129 4.660 -0.000 0.000 0.318 455 W C 0.191 176.723 176.519 0.022 0.000 1.150 455 W CA -0.952 56.397 57.345 0.008 0.000 1.392 455 W CB 0.294 29.747 29.460 -0.012 0.000 1.311 455 W HN 0.282 nan 8.180 nan 0.000 0.436 456 R N 4.285 124.854 120.500 0.114 0.000 2.641 456 R HA 0.064 4.404 4.340 -0.000 0.000 0.269 456 R C -1.297 175.067 176.300 0.108 0.000 1.074 456 R CA -1.225 54.920 56.100 0.074 0.000 1.133 456 R CB 0.122 30.425 30.300 0.005 0.000 1.029 456 R HN 0.164 nan 8.270 nan 0.000 0.488 457 P HA -0.236 nan 4.420 nan 0.000 0.217 457 P C 1.120 178.475 177.300 0.091 0.000 1.151 457 P CA 1.643 64.806 63.100 0.104 0.000 0.849 457 P CB 0.145 31.897 31.700 0.086 0.000 0.787 458 S N -0.955 114.780 115.700 0.058 0.000 2.442 458 S HA -0.142 4.328 4.470 -0.000 0.000 0.236 458 S C 1.968 176.583 174.600 0.025 0.000 1.007 458 S CA 1.435 59.654 58.200 0.031 0.000 0.965 458 S CB -1.522 61.687 63.200 0.014 0.000 0.773 458 S HN 0.278 nan 8.310 nan 0.000 0.504 459 S N 1.922 117.634 115.700 0.021 0.000 2.428 459 S HA 0.157 4.626 4.470 -0.000 0.000 0.230 459 S C 1.770 176.460 174.600 0.149 0.000 1.014 459 S CA 0.517 58.702 58.200 -0.026 0.000 0.957 459 S CB -0.749 62.264 63.200 -0.313 0.000 0.784 459 S HN 0.522 nan 8.310 nan 0.000 0.499 460 L N 0.914 122.281 121.223 0.240 0.000 2.156 460 L HA 0.037 4.376 4.340 -0.000 0.000 0.208 460 L C 2.580 179.539 176.870 0.148 0.000 1.095 460 L CA 0.577 55.571 54.840 0.256 0.000 0.770 460 L CB -0.502 41.676 42.059 0.198 0.000 0.914 460 L HN 0.235 nan 8.230 nan 0.000 0.439 461 V N -1.098 118.882 119.914 0.110 0.000 2.358 461 V HA -0.302 3.818 4.120 -0.000 0.000 0.246 461 V C 2.243 178.394 176.094 0.095 0.000 1.047 461 V CA 1.550 63.894 62.300 0.073 0.000 1.035 461 V CB -0.616 31.229 31.823 0.036 0.000 0.658 461 V HN 0.360 nan 8.190 nan 0.000 0.452 462 Y N 1.297 121.556 120.300 -0.069 0.000 2.224 462 Y HA -0.185 4.365 4.550 -0.000 0.000 0.289 462 Y C 2.741 178.582 175.900 -0.098 0.000 1.146 462 Y CA 1.745 59.772 58.100 -0.121 0.000 1.182 462 Y CB -0.457 37.922 38.460 -0.135 0.000 0.983 462 Y HN 0.107 nan 8.280 nan 0.000 0.524 463 R N 0.298 120.809 120.500 0.017 0.000 2.096 463 R HA -0.150 4.189 4.340 -0.000 0.000 0.235 463 R C 1.833 178.097 176.300 -0.060 0.000 1.127 463 R CA 1.599 57.682 56.100 -0.029 0.000 0.968 463 R CB -0.046 30.341 30.300 0.146 0.000 0.861 463 R HN 0.305 nan 8.270 nan 0.000 0.440 464 E N 0.709 120.894 120.200 -0.024 0.000 2.077 464 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 464 E C 2.104 178.649 176.600 -0.093 0.000 0.989 464 E CA 1.157 57.538 56.400 -0.031 0.000 0.800 464 E CB -0.206 29.494 29.700 0.001 0.000 0.746 464 E HN 0.454 nan 8.360 nan 0.000 0.452 465 I N 0.987 121.456 120.570 -0.167 0.000 2.163 465 I HA -0.241 3.929 4.170 -0.000 0.000 0.240 465 I C 2.534 178.338 176.117 -0.522 0.000 1.081 465 I CA 1.092 62.190 61.300 -0.336 0.000 1.353 465 I CB -0.404 37.341 38.000 -0.426 0.000 1.054 465 I HN -0.006 nan 8.210 nan 0.000 0.407 466 A N 0.145 122.617 122.820 -0.581 0.000 1.877 466 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 466 A C 2.404 179.925 177.584 -0.105 0.000 1.186 466 A CA 2.511 54.311 52.037 -0.394 0.000 0.620 466 A CB -1.168 17.587 19.000 -0.408 0.000 0.822 466 A HN 0.352 nan 8.150 nan 0.000 0.443 467 T N 0.226 114.721 114.554 -0.097 0.000 2.803 467 T HA -0.096 4.254 4.350 -0.000 0.000 0.269 467 T C 1.554 176.261 174.700 0.013 0.000 1.052 467 T CA 1.563 63.652 62.100 -0.019 0.000 1.136 467 T CB -0.332 68.526 68.868 -0.016 0.000 0.864 467 T HN 0.530 nan 8.240 nan 0.000 0.467 468 N N -0.222 118.478 118.700 0.001 0.000 2.254 468 N HA 0.128 4.868 4.740 -0.000 0.000 0.190 468 N C 1.231 176.801 175.510 0.101 0.000 1.107 468 N CA 0.598 53.673 53.050 0.042 0.000 0.869 468 N CB 0.667 39.172 38.487 0.029 0.000 0.983 468 N HN 0.459 nan 8.380 nan 0.000 0.487 469 G N 1.208 110.082 108.800 0.124 0.000 2.305 469 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.287 469 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.287 469 G C 0.014 175.146 174.900 0.386 0.000 1.036 469 G CA 0.670 45.957 45.100 0.312 0.000 0.887 469 G HN 0.683 nan 8.290 nan 0.000 0.505 470 A N -1.389 121.575 122.820 0.240 0.000 2.522 470 A HA 0.655 4.975 4.320 -0.000 0.000 0.291 470 A C -0.526 177.163 177.584 0.175 0.000 1.039 470 A CA -0.508 51.730 52.037 0.335 0.000 0.643 470 A CB 0.564 19.700 19.000 0.227 0.000 1.310 470 A HN 0.841 nan 8.150 nan 0.000 0.436 471 I N 2.824 123.537 120.570 0.238 0.000 2.308 471 I HA 0.237 4.407 4.170 -0.000 0.000 0.293 471 I C 1.226 177.424 176.117 0.135 0.000 1.078 471 I CA -0.016 61.385 61.300 0.169 0.000 1.292 471 I CB 0.915 39.055 38.000 0.234 0.000 1.423 471 I HN 0.779 nan 8.210 nan 0.000 0.493 472 T N 0.840 115.440 114.554 0.077 0.000 2.856 472 T HA 0.034 4.383 4.350 -0.000 0.000 0.306 472 T C 1.011 175.747 174.700 0.060 0.000 1.062 472 T CA -0.634 61.498 62.100 0.053 0.000 1.083 472 T CB 1.101 69.990 68.868 0.036 0.000 0.984 472 T HN 0.464 nan 8.240 nan 0.000 0.542 473 D N 1.089 121.509 120.400 0.033 0.000 2.149 473 D HA -0.142 4.498 4.640 -0.000 0.000 0.198 473 D C 2.106 178.439 176.300 0.056 0.000 0.990 473 D CA 1.404 55.423 54.000 0.032 0.000 0.839 473 D CB 0.003 40.804 40.800 0.002 0.000 0.948 473 D HN 0.815 nan 8.370 nan 0.000 0.460 474 E N 1.124 121.353 120.200 0.048 0.000 2.204 474 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 474 E C 2.198 178.873 176.600 0.126 0.000 0.990 474 E CA 0.605 57.038 56.400 0.055 0.000 0.821 474 E CB -0.489 29.232 29.700 0.034 0.000 0.750 474 E HN 0.543 nan 8.360 nan 0.000 0.477 475 I N -2.272 118.380 120.570 0.136 0.000 3.974 475 I HA 0.283 4.453 4.170 -0.000 0.000 0.334 475 I C 1.778 177.952 176.117 0.095 0.000 1.437 475 I CA -0.252 61.145 61.300 0.162 0.000 1.113 475 I CB 0.269 38.303 38.000 0.056 0.000 1.063 475 I HN -0.192 nan 8.210 nan 0.000 0.400 476 E N 2.396 122.684 120.200 0.147 0.000 2.160 476 E HA -0.286 4.064 4.350 -0.000 0.000 0.195 476 E C 2.062 178.688 176.600 0.044 0.000 0.991 476 E CA 1.755 58.215 56.400 0.100 0.000 0.810 476 E CB -0.166 29.616 29.700 0.138 0.000 0.742 476 E HN 0.797 nan 8.360 nan 0.000 0.466 477 H N 0.236 119.302 119.070 -0.006 0.000 2.489 477 H HA -0.130 4.426 4.556 -0.000 0.000 0.295 477 H C 1.826 177.153 175.328 -0.002 0.000 1.082 477 H CA 0.870 56.917 56.048 -0.001 0.000 1.295 477 H CB -0.582 29.183 29.762 0.005 0.000 1.380 477 H HN 0.282 nan 8.280 nan 0.000 0.548 478 L N 0.851 121.645 121.223 -0.715 0.000 2.551 478 L HA -0.043 4.297 4.340 -0.000 0.000 0.228 478 L C 1.368 178.160 176.870 -0.130 0.000 1.153 478 L CA 0.375 54.873 54.840 -0.570 0.000 0.851 478 L CB -0.407 41.295 42.059 -0.594 0.000 0.959 478 L HN 0.328 nan 8.230 nan 0.000 0.451 479 N N 0.876 119.508 118.700 -0.113 0.000 3.178 479 N HA 0.034 4.773 4.740 -0.000 0.000 0.300 479 N C -0.412 175.075 175.510 -0.038 0.000 1.242 479 N CA -0.074 52.912 53.050 -0.106 0.000 1.192 479 N CB 0.210 38.498 38.487 -0.332 0.000 1.463 479 N HN 0.223 nan 8.380 nan 0.000 0.539 480 S N -0.847 114.936 115.700 0.137 0.000 2.672 480 S HA 0.312 4.782 4.470 -0.000 0.000 0.271 480 S C -0.702 173.984 174.600 0.144 0.000 1.171 480 S CA -0.864 57.416 58.200 0.132 0.000 0.817 480 S CB 1.251 64.522 63.200 0.117 0.000 1.150 480 S HN -0.089 nan 8.310 nan 0.000 0.478 481 V N 2.362 122.227 119.914 -0.081 0.000 2.583 481 V HA 0.397 4.517 4.120 -0.000 0.000 0.287 481 V C -2.313 173.375 176.094 -0.675 0.000 1.051 481 V CA -1.549 60.451 62.300 -0.500 0.000 1.010 481 V CB 0.618 32.250 31.823 -0.319 0.000 0.988 481 V HN 0.746 nan 8.190 nan 0.000 0.478 482 P HA 0.164 nan 4.420 nan 0.000 0.267 482 P C -2.564 174.379 177.300 -0.594 0.000 1.209 482 P CA -0.867 61.565 63.100 -1.114 0.000 0.763 482 P CB -0.139 31.117 31.700 -0.740 0.000 0.816 483 P HA -0.098 nan 4.420 nan 0.000 0.261 483 P C 1.011 178.215 177.300 -0.160 0.000 1.183 483 P CA 0.320 63.288 63.100 -0.221 0.000 0.761 483 P CB 0.337 31.955 31.700 -0.138 0.000 0.785 484 V N 1.851 121.714 119.914 -0.085 0.000 3.235 484 V HA -0.072 4.048 4.120 -0.000 0.000 0.259 484 V C 1.684 177.817 176.094 0.065 0.000 1.133 484 V CA 0.928 63.225 62.300 -0.005 0.000 1.128 484 V CB -0.834 31.028 31.823 0.065 0.000 0.757 484 V HN 0.235 nan 8.190 nan 0.000 0.469 485 K N 1.750 122.161 120.400 0.018 0.000 2.044 485 K HA -0.075 4.245 4.320 -0.000 0.000 0.210 485 K C 0.374 176.969 176.600 -0.009 0.000 1.049 485 K CA 2.107 58.394 56.287 -0.000 0.000 0.927 485 K CB -2.106 30.380 32.500 -0.023 0.000 0.713 485 K HN 0.513 nan 8.250 nan 0.000 0.443 486 P HA 0.044 nan 4.420 nan 0.000 0.231 486 P C 0.421 177.678 177.300 -0.070 0.000 1.168 486 P CA 0.459 63.521 63.100 -0.064 0.000 0.779 486 P CB 0.204 31.846 31.700 -0.098 0.000 0.844 487 L N -0.597 120.603 121.223 -0.039 0.000 2.439 487 L HA 0.322 4.662 4.340 -0.000 0.000 0.259 487 L C 1.078 177.983 176.870 0.058 0.000 1.129 487 L CA -1.158 53.668 54.840 -0.024 0.000 0.803 487 L CB 0.480 42.519 42.059 -0.034 0.000 1.161 487 L HN -0.161 nan 8.230 nan 0.000 0.462 488 R N 0.536 121.063 120.500 0.045 0.000 2.543 488 R HA 0.168 4.508 4.340 -0.000 0.000 0.277 488 R C -0.529 175.818 176.300 0.079 0.000 1.074 488 R CA -0.110 56.034 56.100 0.073 0.000 1.076 488 R CB 0.460 30.790 30.300 0.050 0.000 0.993 488 R HN 0.534 nan 8.270 nan 0.000 0.459 489 H N 0.000 119.072 119.070 0.004 0.000 2.539 489 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 489 H CA 0.000 56.051 56.048 0.006 0.000 1.023 489 H CB 0.000 29.762 29.762 0.000 0.000 1.292 489 H HN 0.000 nan 8.280 nan 0.000 0.496