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_B 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 0.000 175.884 176.300 -0.693 0.000 1.140 1 M CA 0.000 54.993 55.300 -0.512 0.000 0.988 1 M CB 0.000 32.471 32.600 -0.214 0.000 1.302 2 Y N 1.078 121.253 120.300 -0.209 0.000 2.854 2 Y HA 0.519 5.069 4.550 0.000 0.000 0.330 2 Y C -0.243 175.421 175.900 -0.394 0.000 1.037 2 Y CA -0.557 57.174 58.100 -0.615 0.000 1.263 2 Y CB 1.126 39.174 38.460 -0.686 0.000 1.120 2 Y HN 0.406 nan 8.280 nan 0.000 0.532 3 S N 2.514 118.165 115.700 -0.081 0.000 2.578 3 S HA 0.612 5.082 4.470 -0.000 0.000 0.283 3 S C -0.556 174.071 174.600 0.045 0.000 1.195 3 S CA -0.614 57.642 58.200 0.094 0.000 1.050 3 S CB 0.860 64.111 63.200 0.086 0.000 1.012 3 S HN 0.348 nan 8.310 nan 0.000 0.511 4 F N 1.464 121.469 119.950 0.091 0.000 2.450 4 F HA 0.459 4.986 4.527 -0.000 0.000 0.328 4 F C -1.901 173.897 175.800 -0.002 0.000 1.068 4 F CA -2.219 55.745 58.000 -0.060 0.000 1.007 4 F CB 0.247 39.023 39.000 -0.372 0.000 1.251 4 F HN 0.313 nan 8.300 nan 0.000 0.492 5 P HA 0.015 nan 4.420 nan 0.000 0.266 5 P C 0.186 177.594 177.300 0.179 0.000 1.193 5 P CA 0.106 63.279 63.100 0.123 0.000 0.770 5 P CB 0.533 32.297 31.700 0.107 0.000 0.836 6 N N 0.576 119.344 118.700 0.113 0.000 2.149 6 N HA -0.138 4.602 4.740 -0.000 0.000 0.188 6 N C 1.395 176.962 175.510 0.095 0.000 1.019 6 N CA 1.856 54.968 53.050 0.104 0.000 0.857 6 N CB -0.579 37.945 38.487 0.061 0.000 0.997 6 N HN 0.485 nan 8.380 nan 0.000 0.426 7 S N -0.356 115.382 115.700 0.063 0.000 2.562 7 S HA 0.028 4.498 4.470 -0.000 0.000 0.221 7 S C 0.560 175.154 174.600 -0.010 0.000 0.975 7 S CA -0.438 57.760 58.200 -0.003 0.000 0.918 7 S CB -0.563 62.602 63.200 -0.059 0.000 0.772 7 S HN 0.215 nan 8.310 nan 0.000 0.531 8 F N 3.468 123.381 119.950 -0.061 0.000 2.538 8 F HA 0.394 4.921 4.527 -0.000 0.000 0.371 8 F C 0.653 176.357 175.800 -0.160 0.000 1.087 8 F CA -0.482 57.456 58.000 -0.104 0.000 1.250 8 F CB 0.465 39.452 39.000 -0.021 0.000 1.110 8 F HN -0.025 nan 8.300 nan 0.000 0.570 9 R N 5.414 125.518 120.500 -0.659 0.000 2.562 9 R HA 0.434 4.774 4.340 -0.000 0.000 0.298 9 R C -1.651 174.357 176.300 -0.487 0.000 0.961 9 R CA -0.874 54.995 56.100 -0.384 0.000 0.881 9 R CB 1.570 31.703 30.300 -0.279 0.000 1.159 9 R HN 0.492 nan 8.270 nan 0.000 0.450 10 F N 0.640 120.606 119.950 0.026 0.000 2.436 10 F HA 0.626 5.153 4.527 -0.000 0.000 0.340 10 F C 0.957 176.858 175.800 0.169 0.000 1.113 10 F CA 0.051 58.149 58.000 0.164 0.000 1.022 10 F CB 2.097 41.151 39.000 0.091 0.000 1.128 10 F HN 0.669 nan 8.300 nan 0.000 0.466 11 G N 1.951 111.052 108.800 0.502 0.000 2.827 11 G HA2 0.502 4.462 3.960 -0.000 0.000 0.202 11 G HA3 0.502 4.462 3.960 -0.000 0.000 0.202 11 G C -2.209 173.087 174.900 0.660 0.000 1.185 11 G CA -0.553 44.843 45.100 0.494 0.000 0.920 11 G HN 0.720 nan 8.290 nan 0.000 0.550 12 W N -0.414 121.004 121.300 0.197 0.000 3.074 12 W HA 0.826 5.486 4.660 -0.000 0.000 0.332 12 W C -1.013 175.562 176.519 0.093 0.000 1.253 12 W CA -0.887 56.552 57.345 0.155 0.000 1.180 12 W CB 1.245 30.783 29.460 0.130 0.000 1.445 12 W HN 0.576 nan 8.180 nan 0.000 0.573 13 S N 1.471 117.198 115.700 0.045 0.000 2.607 13 S HA 0.672 5.142 4.470 -0.000 0.000 0.303 13 S C -1.333 173.241 174.600 -0.043 0.000 1.086 13 S CA -0.735 57.458 58.200 -0.012 0.000 0.995 13 S CB 1.827 65.218 63.200 0.318 0.000 1.084 13 S HN 0.561 nan 8.310 nan 0.000 0.507 14 Q N 0.126 119.950 119.800 0.039 0.000 2.472 14 Q HA 0.660 5.000 4.340 -0.000 0.000 0.281 14 Q C -2.147 173.941 176.000 0.145 0.000 0.997 14 Q CA -0.733 55.048 55.803 -0.036 0.000 0.828 14 Q CB 1.714 30.465 28.738 0.021 0.000 1.443 14 Q HN 0.790 nan 8.270 nan 0.000 0.390 15 A N 0.787 123.667 122.820 0.100 0.000 2.355 15 A HA 0.726 5.046 4.320 -0.000 0.000 0.324 15 A C 0.627 178.230 177.584 0.033 0.000 1.117 15 A CA 0.116 52.086 52.037 -0.112 0.000 0.785 15 A CB 1.253 19.873 19.000 -0.633 0.000 1.254 15 A HN 0.916 nan 8.150 nan 0.000 0.453 16 G N 0.289 109.184 108.800 0.158 0.000 2.453 16 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.215 16 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.215 16 G C 1.261 176.302 174.900 0.234 0.000 1.201 16 G CA 1.447 46.726 45.100 0.298 0.000 0.784 16 G HN 0.765 nan 8.290 nan 0.000 0.545 17 F N 1.593 121.571 119.950 0.048 0.000 2.202 17 F HA -0.072 4.455 4.527 -0.000 0.000 0.301 17 F C 2.926 178.619 175.800 -0.178 0.000 1.082 17 F CA 1.904 59.883 58.000 -0.034 0.000 1.313 17 F CB -0.050 38.935 39.000 -0.024 0.000 1.024 17 F HN 0.223 nan 8.300 nan 0.000 0.495 18 Q N -1.336 118.336 119.800 -0.213 0.000 2.245 18 Q HA -0.047 4.293 4.340 -0.000 0.000 0.201 18 Q C 1.877 177.850 176.000 -0.045 0.000 0.955 18 Q CA 1.438 57.078 55.803 -0.272 0.000 0.870 18 Q CB 0.044 28.626 28.738 -0.259 0.000 0.945 18 Q HN 0.304 nan 8.270 nan 0.000 0.461 19 S N -0.291 115.424 115.700 0.024 0.000 2.619 19 S HA 0.052 4.522 4.470 -0.000 0.000 0.238 19 S C 1.295 176.004 174.600 0.182 0.000 1.068 19 S CA -0.256 58.019 58.200 0.124 0.000 0.926 19 S CB 0.468 63.711 63.200 0.072 0.000 0.864 19 S HN 0.260 nan 8.310 nan 0.000 0.493 20 E N 1.620 121.940 120.200 0.200 0.000 2.023 20 E HA -0.051 4.299 4.350 -0.000 0.000 0.196 20 E C 0.347 177.055 176.600 0.180 0.000 1.003 20 E CA 0.831 57.407 56.400 0.293 0.000 0.809 20 E CB -0.173 29.708 29.700 0.302 0.000 0.755 20 E HN 0.433 nan 8.360 nan 0.000 0.449 21 M N -0.625 118.994 119.600 0.033 0.000 2.240 21 M HA 0.091 4.571 4.480 -0.000 0.000 0.317 21 M C 1.015 177.355 176.300 0.067 0.000 1.087 21 M CA 1.206 56.504 55.300 -0.004 0.000 1.176 21 M CB 0.840 33.393 32.600 -0.079 0.000 1.439 21 M HN 0.424 nan 8.290 nan 0.000 0.452 22 G N 0.110 108.949 108.800 0.064 0.000 3.110 22 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.205 22 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.205 22 G C 0.005 174.952 174.900 0.079 0.000 1.019 22 G CA -0.042 45.110 45.100 0.086 0.000 0.826 22 G HN 0.776 nan 8.290 nan 0.000 0.481 23 T N 1.245 115.853 114.554 0.091 0.000 2.902 23 T HA 0.701 5.051 4.350 -0.000 0.000 0.283 23 T C -2.710 172.029 174.700 0.066 0.000 1.009 23 T CA -1.795 60.354 62.100 0.083 0.000 1.051 23 T CB 2.523 71.455 68.868 0.108 0.000 0.999 23 T HN 0.176 nan 8.240 nan 0.000 0.474 24 P HA 0.219 nan 4.420 nan 0.000 0.264 24 P C 1.026 178.349 177.300 0.038 0.000 1.193 24 P CA 0.781 63.901 63.100 0.033 0.000 0.763 24 P CB 0.367 32.083 31.700 0.026 0.000 0.810 25 G N 2.702 111.509 108.800 0.011 0.000 2.175 25 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.244 25 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.244 25 G C 0.875 175.743 174.900 -0.053 0.000 0.982 25 G CA 0.423 45.524 45.100 0.001 0.000 0.641 25 G HN 0.681 nan 8.290 nan 0.000 0.527 26 S N -0.268 115.376 115.700 -0.092 0.000 2.548 26 S HA 0.364 4.834 4.470 -0.000 0.000 0.215 26 S C 0.571 174.940 174.600 -0.385 0.000 0.976 26 S CA 0.699 58.676 58.200 -0.371 0.000 0.908 26 S CB 0.400 63.492 63.200 -0.181 0.000 0.781 26 S HN 0.442 nan 8.310 nan 0.000 0.519 27 E N 2.696 122.774 120.200 -0.204 0.000 2.529 27 E HA 0.286 4.636 4.350 -0.000 0.000 0.259 27 E C -0.572 175.884 176.600 -0.239 0.000 0.966 27 E CA 0.480 56.781 56.400 -0.165 0.000 0.937 27 E CB 0.187 29.824 29.700 -0.106 0.000 0.923 27 E HN 0.293 nan 8.360 nan 0.000 0.468 28 D N 3.148 123.414 120.400 -0.223 0.000 2.421 28 D HA 0.161 4.801 4.640 -0.000 0.000 0.254 28 D C -0.261 175.809 176.300 -0.383 0.000 1.238 28 D CA -0.404 53.466 54.000 -0.215 0.000 0.919 28 D CB 0.419 41.158 40.800 -0.102 0.000 1.152 28 D HN 0.358 nan 8.370 nan 0.000 0.552 29 L N 2.295 123.192 121.223 -0.543 0.000 2.592 29 L HA 0.301 4.641 4.340 -0.000 0.000 0.227 29 L C 0.654 177.294 176.870 -0.383 0.000 1.127 29 L CA 0.034 54.307 54.840 -0.945 0.000 0.884 29 L CB -0.275 41.352 42.059 -0.720 0.000 1.065 29 L HN 0.181 nan 8.230 nan 0.000 0.457 30 N N 0.500 119.109 118.700 -0.151 0.000 2.466 30 N HA 0.045 4.785 4.740 -0.000 0.000 0.251 30 N C 0.115 175.646 175.510 0.034 0.000 1.164 30 N CA -0.092 52.948 53.050 -0.017 0.000 0.888 30 N CB 0.349 38.857 38.487 0.034 0.000 1.177 30 N HN 0.263 nan 8.380 nan 0.000 0.498 31 T N -3.296 111.317 114.554 0.099 0.000 2.924 31 T HA 0.192 4.542 4.350 -0.000 0.000 0.291 31 T C 0.789 175.574 174.700 0.141 0.000 1.045 31 T CA -0.947 61.227 62.100 0.123 0.000 1.015 31 T CB 1.712 70.706 68.868 0.210 0.000 1.103 31 T HN -0.006 nan 8.240 nan 0.000 0.496 32 D N 0.342 120.777 120.400 0.058 0.000 2.144 32 D HA -0.134 4.506 4.640 -0.000 0.000 0.199 32 D C 1.430 177.769 176.300 0.065 0.000 0.984 32 D CA 1.065 55.044 54.000 -0.036 0.000 0.834 32 D CB -0.594 40.074 40.800 -0.220 0.000 0.955 32 D HN 0.722 nan 8.370 nan 0.000 0.465 33 W N 0.037 121.341 121.300 0.006 0.000 2.363 33 W HA -0.118 4.542 4.660 0.000 0.000 0.296 33 W C 2.367 179.058 176.519 0.287 0.000 1.212 33 W CA 0.907 58.263 57.345 0.017 0.000 1.260 33 W CB -0.610 28.588 29.460 -0.437 0.000 1.131 33 W HN -0.003 nan 8.180 nan 0.000 0.530 34 Y N 1.330 121.906 120.300 0.459 0.000 2.145 34 Y HA -0.272 4.278 4.550 -0.000 0.000 0.286 34 Y C 2.534 178.703 175.900 0.448 0.000 1.145 34 Y CA 2.440 60.876 58.100 0.560 0.000 1.148 34 Y CB -0.648 38.043 38.460 0.385 0.000 0.981 34 Y HN -0.148 nan 8.280 nan 0.000 0.507 35 K N -0.265 120.432 120.400 0.495 0.000 2.097 35 K HA -0.244 4.076 4.320 -0.000 0.000 0.206 35 K C 2.289 179.034 176.600 0.242 0.000 1.049 35 K CA 1.559 58.036 56.287 0.317 0.000 0.933 35 K CB -0.783 31.836 32.500 0.198 0.000 0.717 35 K HN 0.620 nan 8.250 nan 0.000 0.442 36 W N 1.773 123.096 121.300 0.037 0.000 2.335 36 W HA -0.208 4.452 4.660 -0.000 0.000 0.311 36 W C 1.564 178.089 176.519 0.009 0.000 1.213 36 W CA 2.161 59.463 57.345 -0.070 0.000 1.274 36 W CB -0.119 29.159 29.460 -0.302 0.000 1.148 36 W HN 0.055 nan 8.180 nan 0.000 0.498 37 V N -1.915 118.157 119.914 0.263 0.000 3.380 37 V HA -0.088 4.032 4.120 -0.000 0.000 0.268 37 V C 1.263 177.277 176.094 -0.133 0.000 1.168 37 V CA 1.745 64.118 62.300 0.121 0.000 1.156 37 V CB -1.072 30.973 31.823 0.369 0.000 0.785 37 V HN 0.097 nan 8.190 nan 0.000 0.487 38 H N -0.154 118.859 119.070 -0.096 0.000 2.622 38 H HA 0.315 4.871 4.556 -0.000 0.000 0.269 38 H C 0.564 175.830 175.328 -0.103 0.000 0.977 38 H CA 0.079 56.056 56.048 -0.119 0.000 1.179 38 H CB 0.149 29.827 29.762 -0.141 0.000 1.458 38 H HN 0.530 nan 8.280 nan 0.000 0.531 39 D N 0.923 121.283 120.400 -0.066 0.000 2.450 39 D HA -0.028 4.612 4.640 -0.000 0.000 0.247 39 D C -1.524 174.689 176.300 -0.145 0.000 1.162 39 D CA -1.369 52.551 54.000 -0.133 0.000 0.879 39 D CB 1.277 41.907 40.800 -0.282 0.000 1.163 39 D HN 0.045 nan 8.370 nan 0.000 0.472 40 P HA -0.144 nan 4.420 nan 0.000 0.215 40 P C 0.651 177.889 177.300 -0.104 0.000 1.153 40 P CA 1.217 64.269 63.100 -0.080 0.000 0.853 40 P CB 0.185 31.855 31.700 -0.050 0.000 0.788 41 E N -1.058 119.066 120.200 -0.127 0.000 2.107 41 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 41 E C 1.809 178.302 176.600 -0.178 0.000 0.982 41 E CA 0.743 57.064 56.400 -0.131 0.000 0.809 41 E CB -0.458 29.168 29.700 -0.124 0.000 0.756 41 E HN 0.218 nan 8.360 nan 0.000 0.459 42 N N 0.615 119.145 118.700 -0.283 0.000 2.166 42 N HA -0.122 4.618 4.740 -0.000 0.000 0.186 42 N C 1.762 177.144 175.510 -0.213 0.000 1.019 42 N CA 1.162 53.998 53.050 -0.357 0.000 0.856 42 N CB -0.102 37.975 38.487 -0.684 0.000 0.993 42 N HN 0.194 nan 8.380 nan 0.000 0.426 43 M N 0.300 119.796 119.600 -0.174 0.000 2.099 43 M HA -0.046 4.434 4.480 -0.000 0.000 0.262 43 M C 2.253 178.508 176.300 -0.075 0.000 1.067 43 M CA 1.447 56.682 55.300 -0.108 0.000 1.124 43 M CB -0.291 32.252 32.600 -0.094 0.000 1.353 43 M HN 0.118 nan 8.290 nan 0.000 0.410 44 A N 0.456 123.231 122.820 -0.075 0.000 1.908 44 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 44 A C 2.287 179.843 177.584 -0.046 0.000 1.181 44 A CA 1.978 53.983 52.037 -0.053 0.000 0.627 44 A CB -0.921 18.048 19.000 -0.052 0.000 0.818 44 A HN 0.524 nan 8.150 nan 0.000 0.445 45 A N -1.932 120.852 122.820 -0.060 0.000 2.167 45 A HA 0.375 4.695 4.320 -0.000 0.000 0.214 45 A C 1.914 179.484 177.584 -0.023 0.000 1.151 45 A CA 1.327 53.338 52.037 -0.042 0.000 0.735 45 A CB -0.985 17.983 19.000 -0.055 0.000 0.802 45 A HN 1.965 nan 8.150 nan 0.000 0.467 46 G N -1.222 107.562 108.800 -0.027 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 0.732 175.647 174.900 0.025 0.000 0.991 46 G CA 0.519 45.618 45.100 -0.000 0.000 0.689 46 G HN 0.432 nan 8.290 nan 0.000 0.522 47 L N -0.546 120.681 121.223 0.007 0.000 2.156 47 L HA 0.176 4.516 4.340 -0.000 0.000 0.208 47 L C 1.644 178.588 176.870 0.123 0.000 1.095 47 L CA 1.522 56.404 54.840 0.069 0.000 0.770 47 L CB -0.174 41.902 42.059 0.028 0.000 0.914 47 L HN 0.487 nan 8.230 nan 0.000 0.439 48 V N -4.997 114.943 119.914 0.044 0.000 2.769 48 V HA 0.359 4.479 4.120 -0.000 0.000 0.312 48 V C 1.088 177.205 176.094 0.039 0.000 1.061 48 V CA -0.277 62.075 62.300 0.086 0.000 0.931 48 V CB 1.581 33.428 31.823 0.040 0.000 1.010 48 V HN 0.148 nan 8.190 nan 0.000 0.433 49 S N 1.570 117.293 115.700 0.039 0.000 2.382 49 S HA 0.140 4.610 4.470 -0.000 0.000 0.228 49 S C 1.680 176.273 174.600 -0.011 0.000 1.027 49 S CA 1.876 60.076 58.200 0.000 0.000 0.991 49 S CB -0.411 62.762 63.200 -0.045 0.000 0.823 49 S HN 2.755 nan 8.310 nan 0.000 0.469 50 G N 0.554 109.344 108.800 -0.017 0.000 2.253 50 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.209 50 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.209 50 G C -0.425 174.458 174.900 -0.028 0.000 0.997 50 G CA 0.008 45.087 45.100 -0.036 0.000 0.640 50 G HN 0.550 nan 8.290 nan 0.000 0.496 51 D N 0.812 121.219 120.400 0.011 0.000 2.362 51 D HA 0.568 5.208 4.640 -0.000 0.000 0.242 51 D C 0.760 177.081 176.300 0.034 0.000 1.132 51 D CA 0.343 54.387 54.000 0.074 0.000 0.907 51 D CB 1.076 41.913 40.800 0.061 0.000 1.195 51 D HN 0.371 nan 8.370 nan 0.000 0.429 52 L N 2.155 123.361 121.223 -0.029 0.000 2.346 52 L HA 0.282 4.622 4.340 -0.000 0.000 0.274 52 L C -1.659 174.949 176.870 -0.437 0.000 1.007 52 L CA -1.955 52.711 54.840 -0.289 0.000 0.818 52 L CB 2.206 44.125 42.059 -0.234 0.000 1.284 52 L HN 0.092 nan 8.230 nan 0.000 0.424 53 P HA -0.164 nan 4.420 nan 0.000 0.218 53 P C 0.767 177.907 177.300 -0.267 0.000 1.148 53 P CA 1.083 63.624 63.100 -0.933 0.000 0.822 53 P CB 0.281 31.335 31.700 -1.076 0.000 0.784 54 E N -0.560 119.595 120.200 -0.076 0.000 2.273 54 E HA -0.178 4.172 4.350 -0.000 0.000 0.198 54 E C 0.747 177.368 176.600 0.036 0.000 1.002 54 E CA 1.089 57.511 56.400 0.037 0.000 0.828 54 E CB -1.127 28.644 29.700 0.118 0.000 0.747 54 E HN 0.505 nan 8.360 nan 0.000 0.491 55 N N 0.251 118.983 118.700 0.054 0.000 2.279 55 N HA 0.150 4.890 4.740 -0.000 0.000 0.226 55 N C 0.546 176.007 175.510 -0.082 0.000 1.126 55 N CA -0.155 52.898 53.050 0.005 0.000 0.846 55 N CB 0.859 39.334 38.487 -0.020 0.000 1.050 55 N HN 0.099 nan 8.380 nan 0.000 0.502 56 G N 1.671 110.535 108.800 0.106 0.000 2.525 56 G HA2 0.043 4.003 3.960 -0.000 0.000 0.276 56 G HA3 0.043 4.003 3.960 -0.000 0.000 0.276 56 G C -1.447 173.636 174.900 0.305 0.000 1.388 56 G CA -0.668 44.573 45.100 0.236 0.000 1.050 56 G HN -0.064 nan 8.290 nan 0.000 0.520 57 P HA 0.042 nan 4.420 nan 0.000 0.220 57 P C 1.062 178.538 177.300 0.293 0.000 1.148 57 P CA 1.672 64.963 63.100 0.317 0.000 0.803 57 P CB 0.131 32.094 31.700 0.438 0.000 0.782 58 G N -1.658 107.284 108.800 0.237 0.000 2.225 58 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.264 58 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.264 58 G C 0.507 175.495 174.900 0.146 0.000 1.060 58 G CA 0.159 45.372 45.100 0.188 0.000 0.833 58 G HN 0.270 nan 8.290 nan 0.000 0.498 59 Y N -0.738 119.501 120.300 -0.101 0.000 2.274 59 Y HA -0.064 4.486 4.550 -0.000 0.000 0.290 59 Y C 2.355 178.215 175.900 -0.065 0.000 1.145 59 Y CA 2.168 59.983 58.100 -0.477 0.000 1.203 59 Y CB -0.167 37.954 38.460 -0.565 0.000 0.984 59 Y HN 0.535 nan 8.280 nan 0.000 0.533 60 W N 0.746 121.986 121.300 -0.099 0.000 2.325 60 W HA -0.200 4.460 4.660 0.000 0.000 0.299 60 W C 1.813 178.354 176.519 0.037 0.000 1.215 60 W CA 2.013 59.308 57.345 -0.082 0.000 1.244 60 W CB -0.573 28.846 29.460 -0.068 0.000 1.140 60 W HN 0.279 nan 8.180 nan 0.000 0.523 61 G N -0.990 107.888 108.800 0.131 0.000 2.709 61 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.208 61 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.208 61 G C 0.848 175.702 174.900 -0.077 0.000 1.129 61 G CA 0.032 45.166 45.100 0.057 0.000 0.793 61 G HN 0.077 nan 8.290 nan 0.000 0.524 62 N N 0.557 119.195 118.700 -0.103 0.000 2.273 62 N HA 0.107 4.846 4.740 -0.000 0.000 0.231 62 N C 1.331 176.687 175.510 -0.258 0.000 1.134 62 N CA -0.410 52.555 53.050 -0.142 0.000 0.856 62 N CB 0.117 38.660 38.487 0.094 0.000 1.068 62 N HN 0.567 nan 8.380 nan 0.000 0.510 63 Y N 0.963 120.899 120.300 -0.607 0.000 2.193 63 Y HA -0.108 4.442 4.550 -0.000 0.000 0.285 63 Y C 1.878 177.425 175.900 -0.589 0.000 1.166 63 Y CA 1.085 58.624 58.100 -0.934 0.000 1.181 63 Y CB -0.571 37.054 38.460 -1.392 0.000 0.976 63 Y HN -0.142 nan 8.280 nan 0.000 0.520 64 K N 0.043 119.895 120.400 -0.914 0.000 2.103 64 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 64 K C 2.051 178.566 176.600 -0.141 0.000 1.048 64 K CA 1.975 57.985 56.287 -0.463 0.000 0.930 64 K CB -0.382 31.807 32.500 -0.518 0.000 0.716 64 K HN 0.418 nan 8.250 nan 0.000 0.444 65 T N 0.781 115.281 114.554 -0.090 0.000 2.821 65 T HA -0.084 4.266 4.350 -0.000 0.000 0.267 65 T C 1.490 176.265 174.700 0.126 0.000 1.046 65 T CA 1.055 63.171 62.100 0.027 0.000 1.139 65 T CB -0.223 68.663 68.868 0.031 0.000 0.871 65 T HN 0.039 nan 8.240 nan 0.000 0.454 66 F N 1.533 121.450 119.950 -0.054 0.000 2.051 66 F HA -0.067 4.460 4.527 -0.000 0.000 0.296 66 F C 2.438 178.272 175.800 0.057 0.000 1.122 66 F CA 1.118 59.121 58.000 0.005 0.000 1.201 66 F CB -1.103 38.021 39.000 0.206 0.000 0.978 66 F HN 0.382 nan 8.300 nan 0.000 0.472 67 H N -1.470 117.797 119.070 0.328 0.000 2.352 67 H HA -0.213 4.343 4.556 -0.000 0.000 0.299 67 H C 2.004 177.406 175.328 0.124 0.000 1.097 67 H CA 1.128 57.323 56.048 0.244 0.000 1.311 67 H CB -0.301 29.631 29.762 0.283 0.000 1.377 67 H HN 0.188 nan 8.280 nan 0.000 0.504 68 N N 0.714 119.542 118.700 0.214 0.000 2.120 68 N HA -0.152 4.588 4.740 -0.000 0.000 0.188 68 N C 1.614 177.196 175.510 0.121 0.000 1.024 68 N CA 1.203 54.331 53.050 0.130 0.000 0.852 68 N CB -0.107 38.423 38.487 0.073 0.000 1.003 68 N HN 0.240 nan 8.380 nan 0.000 0.424 69 N N 0.075 118.834 118.700 0.098 0.000 2.188 69 N HA -0.075 4.665 4.740 -0.000 0.000 0.184 69 N C 1.501 177.033 175.510 0.036 0.000 1.018 69 N CA 1.175 54.305 53.050 0.135 0.000 0.858 69 N CB -0.387 38.102 38.487 0.003 0.000 0.989 69 N HN 0.378 nan 8.380 nan 0.000 0.426 70 A N 1.127 123.895 122.820 -0.088 0.000 1.933 70 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 70 A C 2.189 179.798 177.584 0.042 0.000 1.175 70 A CA 1.353 53.304 52.037 -0.143 0.000 0.628 70 A CB -0.618 18.220 19.000 -0.271 0.000 0.814 70 A HN 0.363 nan 8.150 nan 0.000 0.444 71 Q N -0.242 119.619 119.800 0.101 0.000 2.050 71 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 71 Q C 1.903 177.971 176.000 0.113 0.000 0.980 71 Q CA 1.854 57.725 55.803 0.112 0.000 0.840 71 Q CB -0.123 28.683 28.738 0.113 0.000 0.898 71 Q HN 0.662 nan 8.270 nan 0.000 0.424 72 K N -0.109 120.382 120.400 0.153 0.000 2.209 72 K HA -0.104 4.216 4.320 -0.000 0.000 0.204 72 K C 1.789 178.551 176.600 0.270 0.000 1.048 72 K CA 1.126 57.524 56.287 0.184 0.000 0.940 72 K CB -0.044 32.582 32.500 0.209 0.000 0.729 72 K HN 0.288 nan 8.250 nan 0.000 0.451 73 M N -0.497 119.263 119.600 0.266 0.000 2.561 73 M HA 0.033 4.513 4.480 -0.000 0.000 0.238 73 M C 0.413 176.722 176.300 0.014 0.000 1.131 73 M CA 0.664 56.066 55.300 0.170 0.000 1.046 73 M CB 0.510 33.060 32.600 -0.083 0.000 1.532 73 M HN 0.380 nan 8.290 nan 0.000 0.497 74 G N 1.339 110.163 108.800 0.040 0.000 2.143 74 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.249 74 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.249 74 G C -0.011 174.898 174.900 0.015 0.000 0.981 74 G CA -0.027 45.082 45.100 0.015 0.000 0.665 74 G HN 0.447 nan 8.290 nan 0.000 0.528 75 L N -0.652 120.592 121.223 0.036 0.000 2.461 75 L HA 0.387 4.727 4.340 -0.000 0.000 0.272 75 L C 1.365 178.338 176.870 0.172 0.000 1.197 75 L CA 0.328 55.242 54.840 0.124 0.000 0.836 75 L CB 0.737 42.942 42.059 0.244 0.000 1.105 75 L HN 0.102 nan 8.230 nan 0.000 0.477 76 K N 3.380 123.885 120.400 0.175 0.000 2.533 76 K HA 0.451 4.771 4.320 -0.000 0.000 0.202 76 K C -0.585 176.087 176.600 0.121 0.000 1.096 76 K CA -0.031 56.337 56.287 0.136 0.000 1.056 76 K CB 1.251 33.810 32.500 0.098 0.000 0.890 76 K HN 0.486 nan 8.250 nan 0.000 0.552 77 I N -0.047 120.599 120.570 0.126 0.000 2.842 77 I HA 0.528 4.698 4.170 -0.000 0.000 0.297 77 I C -2.220 173.849 176.117 -0.080 0.000 1.380 77 I CA -0.759 60.568 61.300 0.045 0.000 1.018 77 I CB 2.079 40.054 38.000 -0.041 0.000 1.311 77 I HN -0.009 nan 8.210 nan 0.000 0.439 78 A N 6.447 129.124 122.820 -0.239 0.000 2.520 78 A HA 0.775 5.095 4.320 -0.000 0.000 0.298 78 A C -1.587 175.780 177.584 -0.361 0.000 1.051 78 A CA -0.684 50.970 52.037 -0.639 0.000 0.690 78 A CB 1.999 20.338 19.000 -1.101 0.000 1.281 78 A HN 0.674 nan 8.150 nan 0.000 0.402 79 R N 2.493 122.745 120.500 -0.413 0.000 2.451 79 R HA 0.663 5.003 4.340 -0.000 0.000 0.307 79 R C -2.123 174.119 176.300 -0.096 0.000 0.965 79 R CA -0.341 55.649 56.100 -0.184 0.000 0.865 79 R CB 0.602 30.832 30.300 -0.117 0.000 1.174 79 R HN 0.565 nan 8.270 nan 0.000 0.455 80 L N 2.966 124.227 121.223 0.062 0.000 2.277 80 L HA 0.585 4.925 4.340 -0.000 0.000 0.254 80 L C -0.159 176.840 176.870 0.214 0.000 1.044 80 L CA -0.888 54.058 54.840 0.178 0.000 0.842 80 L CB 1.586 43.837 42.059 0.319 0.000 1.422 80 L HN 0.762 nan 8.230 nan 0.000 0.422 81 N N -1.426 117.455 118.700 0.302 0.000 2.357 81 N HA 0.455 5.195 4.740 -0.000 0.000 0.284 81 N C -1.493 174.228 175.510 0.353 0.000 1.236 81 N CA -0.481 52.752 53.050 0.306 0.000 0.774 81 N CB 1.973 40.674 38.487 0.357 0.000 1.534 81 N HN 0.402 nan 8.380 nan 0.000 0.478 82 S N 0.113 115.972 115.700 0.266 0.000 2.541 82 S HA 0.224 4.694 4.470 -0.000 0.000 0.283 82 S C -0.501 174.363 174.600 0.440 0.000 1.196 82 S CA -0.629 57.616 58.200 0.075 0.000 1.062 82 S CB 0.862 64.001 63.200 -0.103 0.000 1.009 82 S HN 0.411 nan 8.310 nan 0.000 0.502 83 E N 2.285 122.812 120.200 0.545 0.000 2.052 83 E HA 0.007 4.357 4.350 -0.000 0.000 0.283 83 E C 0.379 177.348 176.600 0.615 0.000 1.071 83 E CA -0.282 56.468 56.400 0.582 0.000 0.851 83 E CB 0.459 30.475 29.700 0.526 0.000 1.066 83 E HN 0.781 nan 8.360 nan 0.000 0.396 84 W N 4.459 125.937 121.300 0.297 0.000 2.290 84 W HA -0.320 4.340 4.660 -0.000 0.000 0.311 84 W C 1.918 178.523 176.519 0.144 0.000 1.238 84 W CA 2.406 59.692 57.345 -0.100 0.000 1.255 84 W CB -0.694 28.481 29.460 -0.476 0.000 1.145 84 W HN 0.504 nan 8.180 nan 0.000 0.506 85 S N 0.375 116.276 115.700 0.335 0.000 2.400 85 S HA -0.212 4.258 4.470 -0.000 0.000 0.232 85 S C 1.897 176.661 174.600 0.274 0.000 1.025 85 S CA 1.474 59.801 58.200 0.211 0.000 0.993 85 S CB -0.667 62.617 63.200 0.141 0.000 0.808 85 S HN 0.458 nan 8.310 nan 0.000 0.478 86 R N 0.513 121.213 120.500 0.334 0.000 2.115 86 R HA 0.101 4.441 4.340 -0.000 0.000 0.226 86 R C 2.553 179.040 176.300 0.311 0.000 1.100 86 R CA 1.200 57.473 56.100 0.287 0.000 0.980 86 R CB -0.325 30.181 30.300 0.343 0.000 0.875 86 R HN 0.369 nan 8.270 nan 0.000 0.445 87 Q N -0.152 119.886 119.800 0.395 0.000 2.049 87 Q HA 0.022 4.362 4.340 -0.000 0.000 0.198 87 Q C -0.130 175.716 176.000 -0.258 0.000 0.971 87 Q CA 1.278 57.167 55.803 0.143 0.000 0.833 87 Q CB 0.357 29.302 28.738 0.347 0.000 0.896 87 Q HN 0.160 nan 8.270 nan 0.000 0.434 88 F N 0.278 120.516 119.950 0.480 0.000 2.531 88 F HA 0.308 4.835 4.527 -0.000 0.000 0.333 88 F C -1.782 174.261 175.800 0.405 0.000 1.292 88 F CA -1.987 56.262 58.000 0.416 0.000 1.184 88 F CB 1.585 40.915 39.000 0.550 0.000 1.426 88 F HN 0.039 nan 8.300 nan 0.000 0.559 89 P HA -0.071 nan 4.420 nan 0.000 0.225 89 P C -0.418 177.023 177.300 0.236 0.000 1.156 89 P CA 0.863 64.132 63.100 0.282 0.000 0.787 89 P CB 0.349 32.142 31.700 0.155 0.000 0.802 90 N N 0.625 119.376 118.700 0.085 0.000 2.466 90 N HA 0.345 5.085 4.740 -0.000 0.000 0.294 90 N C -2.771 172.282 175.510 -0.761 0.000 1.129 90 N CA -2.084 50.874 53.050 -0.153 0.000 0.931 90 N CB 0.326 38.792 38.487 -0.035 0.000 1.193 90 N HN -0.080 nan 8.380 nan 0.000 0.500 91 P HA 0.025 nan 4.420 nan 0.000 0.268 91 P C -0.757 175.905 177.300 -1.064 0.000 1.204 91 P CA 0.279 62.593 63.100 -1.310 0.000 0.768 91 P CB 0.564 31.990 31.700 -0.456 0.000 0.842 92 L N 5.675 126.069 121.223 -1.382 0.000 2.334 92 L HA 0.385 4.725 4.340 -0.000 0.000 0.277 92 L C -1.614 174.946 176.870 -0.517 0.000 1.075 92 L CA -2.234 52.067 54.840 -0.898 0.000 0.804 92 L CB 0.589 42.207 42.059 -0.736 0.000 1.174 92 L HN 0.259 nan 8.230 nan 0.000 0.438 93 P HA -0.046 nan 4.420 nan 0.000 0.264 93 P C -0.412 176.810 177.300 -0.131 0.000 1.183 93 P CA -0.208 62.779 63.100 -0.188 0.000 0.763 93 P CB 0.494 32.131 31.700 -0.106 0.000 0.807 94 R N 4.747 125.205 120.500 -0.069 0.000 2.485 94 R HA 0.004 4.344 4.340 -0.000 0.000 0.304 94 R C -1.653 174.616 176.300 -0.051 0.000 0.934 94 R CA -0.713 55.366 56.100 -0.036 0.000 1.102 94 R CB -0.228 30.069 30.300 -0.005 0.000 0.906 94 R HN 0.430 nan 8.270 nan 0.000 0.407 95 P HA 0.025 nan 4.420 nan 0.000 0.276 95 P C -0.752 176.495 177.300 -0.089 0.000 1.230 95 P CA -0.259 62.767 63.100 -0.124 0.000 0.776 95 P CB 1.282 32.785 31.700 -0.328 0.000 0.888 96 Q N 2.802 122.584 119.800 -0.029 0.000 2.270 96 Q HA 0.125 4.465 4.340 -0.000 0.000 0.167 96 Q C 0.806 176.825 176.000 0.031 0.000 1.023 96 Q CA 0.230 56.038 55.803 0.009 0.000 1.070 96 Q CB -0.106 28.641 28.738 0.015 0.000 1.504 96 Q HN 0.671 nan 8.270 nan 0.000 0.536 97 N N -0.301 118.424 118.700 0.042 0.000 2.701 97 N HA -0.270 4.470 4.740 -0.000 0.000 0.250 97 N C -1.197 174.382 175.510 0.114 0.000 1.046 97 N CA 0.800 53.886 53.050 0.059 0.000 0.733 97 N CB -1.805 36.723 38.487 0.070 0.000 0.973 97 N HN 0.324 nan 8.380 nan 0.000 0.541 98 F N 0.716 120.591 119.950 -0.125 0.000 2.607 98 F HA 0.358 4.885 4.527 -0.000 0.000 0.322 98 F C -1.319 174.412 175.800 -0.115 0.000 1.176 98 F CA -1.223 56.674 58.000 -0.170 0.000 0.977 98 F CB 1.655 40.422 39.000 -0.387 0.000 1.242 98 F HN 0.021 nan 8.300 nan 0.000 0.465 99 D N 4.581 124.556 120.400 -0.708 0.000 2.427 99 D HA 0.232 4.872 4.640 -0.000 0.000 0.226 99 D C 0.597 176.467 176.300 -0.717 0.000 1.076 99 D CA -0.010 53.685 54.000 -0.507 0.000 0.849 99 D CB 1.074 41.695 40.800 -0.298 0.000 1.052 99 D HN 0.704 nan 8.370 nan 0.000 0.515 100 E N 1.227 121.151 120.200 -0.460 0.000 2.338 100 E HA -0.129 4.221 4.350 -0.000 0.000 0.197 100 E C 1.542 178.045 176.600 -0.161 0.000 1.007 100 E CA 0.743 56.988 56.400 -0.258 0.000 0.849 100 E CB 0.225 29.928 29.700 0.005 0.000 0.774 100 E HN 0.564 nan 8.360 nan 0.000 0.506 101 S N 0.722 116.327 115.700 -0.159 0.000 2.461 101 S HA -0.075 4.395 4.470 -0.000 0.000 0.228 101 S C 1.041 175.575 174.600 -0.109 0.000 1.005 101 S CA 0.155 58.291 58.200 -0.106 0.000 0.942 101 S CB -0.035 63.111 63.200 -0.089 0.000 0.776 101 S HN -0.053 nan 8.310 nan 0.000 0.514 102 K N 2.103 122.408 120.400 -0.158 0.000 2.451 102 K HA 0.077 4.397 4.320 -0.000 0.000 0.280 102 K C 1.252 177.816 176.600 -0.060 0.000 1.020 102 K CA -0.011 56.204 56.287 -0.121 0.000 1.008 102 K CB 0.482 32.878 32.500 -0.173 0.000 0.917 102 K HN 0.346 nan 8.250 nan 0.000 0.478 103 Q N 2.251 122.040 119.800 -0.020 0.000 2.083 103 Q HA -0.089 4.250 4.340 -0.000 0.000 0.198 103 Q C -0.463 175.624 176.000 0.145 0.000 0.969 103 Q CA 1.215 57.036 55.803 0.031 0.000 0.838 103 Q CB 0.396 29.122 28.738 -0.019 0.000 0.900 103 Q HN 0.633 nan 8.270 nan 0.000 0.436 104 D N -0.284 120.189 120.400 0.120 0.000 2.181 104 D HA 0.274 4.914 4.640 -0.000 0.000 0.248 104 D C -1.154 175.210 176.300 0.108 0.000 1.020 104 D CA -0.353 53.739 54.000 0.154 0.000 0.891 104 D CB 2.161 43.039 40.800 0.129 0.000 1.187 104 D HN -0.126 nan 8.370 nan 0.000 0.443 105 V N 1.826 121.812 119.914 0.120 0.000 2.276 105 V HA 0.115 4.235 4.120 -0.000 0.000 0.268 105 V C 1.328 177.478 176.094 0.093 0.000 1.032 105 V CA -0.492 61.899 62.300 0.152 0.000 0.810 105 V CB 0.687 32.652 31.823 0.235 0.000 1.060 105 V HN 0.737 nan 8.190 nan 0.000 0.446 106 T N -0.251 114.345 114.554 0.071 0.000 3.085 106 T HA 0.123 4.473 4.350 -0.000 0.000 0.263 106 T C 0.400 175.122 174.700 0.037 0.000 1.127 106 T CA 0.760 62.881 62.100 0.036 0.000 1.103 106 T CB -0.011 68.873 68.868 0.026 0.000 0.921 106 T HN 0.842 nan 8.240 nan 0.000 0.510 107 E N -0.808 119.434 120.200 0.070 0.000 2.389 107 E HA 0.522 4.872 4.350 -0.000 0.000 0.281 107 E C -2.226 174.433 176.600 0.099 0.000 1.072 107 E CA -1.209 55.226 56.400 0.059 0.000 0.845 107 E CB 1.426 31.150 29.700 0.039 0.000 1.239 107 E HN -0.023 nan 8.360 nan 0.000 0.434 108 V N 1.821 121.764 119.914 0.049 0.000 2.525 108 V HA 0.225 4.345 4.120 -0.000 0.000 0.299 108 V C -0.448 175.634 176.094 -0.020 0.000 1.034 108 V CA -0.771 61.551 62.300 0.037 0.000 0.863 108 V CB 1.429 33.194 31.823 -0.097 0.000 0.999 108 V HN 0.788 nan 8.190 nan 0.000 0.423 109 E N 6.177 126.390 120.200 0.021 0.000 2.351 109 E HA 0.337 4.687 4.350 -0.000 0.000 0.266 109 E C -0.959 175.597 176.600 -0.073 0.000 1.031 109 E CA -0.125 56.267 56.400 -0.012 0.000 0.911 109 E CB 0.746 30.459 29.700 0.023 0.000 0.986 109 E HN 0.414 nan 8.360 nan 0.000 0.446 110 I N 4.037 124.548 120.570 -0.098 0.000 2.447 110 I HA 0.308 4.478 4.170 -0.000 0.000 0.287 110 I C -0.843 175.190 176.117 -0.139 0.000 1.023 110 I CA -0.901 60.312 61.300 -0.145 0.000 1.083 110 I CB 0.709 38.602 38.000 -0.177 0.000 1.245 110 I HN 0.764 nan 8.210 nan 0.000 0.434 111 N N 2.817 121.422 118.700 -0.158 0.000 2.732 111 N HA 0.254 4.994 4.740 -0.000 0.000 0.259 111 N C 0.330 175.706 175.510 -0.222 0.000 1.402 111 N CA -0.882 52.078 53.050 -0.151 0.000 0.829 111 N CB 1.266 39.699 38.487 -0.091 0.000 1.495 111 N HN 0.457 nan 8.380 nan 0.000 0.511 112 E N -0.113 119.964 120.200 -0.204 0.000 2.097 112 E HA -0.278 4.072 4.350 -0.000 0.000 0.196 112 E C 0.610 177.088 176.600 -0.205 0.000 1.000 112 E CA 1.642 57.889 56.400 -0.254 0.000 0.804 112 E CB -0.110 29.538 29.700 -0.087 0.000 0.740 112 E HN 0.532 nan 8.360 nan 0.000 0.454 113 N N 0.539 119.174 118.700 -0.108 0.000 2.120 113 N HA -0.167 4.573 4.740 -0.000 0.000 0.188 113 N C 1.659 177.125 175.510 -0.072 0.000 1.024 113 N CA 1.038 54.053 53.050 -0.058 0.000 0.852 113 N CB -0.224 38.247 38.487 -0.027 0.000 1.003 113 N HN 0.252 nan 8.380 nan 0.000 0.424 114 E N 1.250 121.387 120.200 -0.106 0.000 2.051 114 E HA -0.070 4.280 4.350 -0.000 0.000 0.192 114 E C 2.340 178.863 176.600 -0.129 0.000 0.991 114 E CA 0.445 56.788 56.400 -0.095 0.000 0.799 114 E CB -0.315 29.319 29.700 -0.111 0.000 0.748 114 E HN 0.381 nan 8.360 nan 0.000 0.449 115 L N 0.955 122.007 121.223 -0.285 0.000 2.083 115 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 115 L C 2.477 179.231 176.870 -0.193 0.000 1.083 115 L CA 1.049 55.636 54.840 -0.422 0.000 0.752 115 L CB -0.398 40.916 42.059 -1.242 0.000 0.899 115 L HN 0.009 nan 8.230 nan 0.000 0.433 116 K N 0.123 120.445 120.400 -0.131 0.000 2.057 116 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 116 K C 2.171 178.871 176.600 0.166 0.000 1.049 116 K CA 1.340 57.710 56.287 0.138 0.000 0.931 116 K CB -0.328 32.240 32.500 0.113 0.000 0.714 116 K HN 0.241 nan 8.250 nan 0.000 0.440 117 R N 0.962 121.523 120.500 0.102 0.000 2.090 117 R HA 0.035 4.375 4.340 -0.000 0.000 0.228 117 R C 2.408 178.838 176.300 0.217 0.000 1.110 117 R CA 0.572 56.753 56.100 0.135 0.000 0.973 117 R CB -0.182 30.180 30.300 0.102 0.000 0.869 117 R HN 0.101 nan 8.270 nan 0.000 0.440 118 L N 0.769 122.093 121.223 0.170 0.000 2.046 118 L HA -0.206 4.133 4.340 -0.000 0.000 0.208 118 L C 2.018 179.061 176.870 0.289 0.000 1.077 118 L CA 1.755 56.694 54.840 0.166 0.000 0.747 118 L CB -0.524 41.529 42.059 -0.010 0.000 0.896 118 L HN 0.407 nan 8.230 nan 0.000 0.432 119 D N 0.050 120.667 120.400 0.362 0.000 2.228 119 D HA -0.250 4.390 4.640 -0.000 0.000 0.203 119 D C 1.673 178.163 176.300 0.317 0.000 0.988 119 D CA 1.199 55.496 54.000 0.494 0.000 0.864 119 D CB 0.166 41.374 40.800 0.681 0.000 0.928 119 D HN 0.521 nan 8.370 nan 0.000 0.469 120 E N -1.203 119.133 120.200 0.226 0.000 2.274 120 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 120 E C 1.325 177.912 176.600 -0.022 0.000 0.996 120 E CA 0.517 56.951 56.400 0.056 0.000 0.840 120 E CB 0.021 29.681 29.700 -0.066 0.000 0.772 120 E HN 0.488 nan 8.360 nan 0.000 0.491 121 Y N 0.229 120.630 120.300 0.168 0.000 2.500 121 Y HA 0.216 4.766 4.550 0.000 0.000 0.270 121 Y C 1.006 177.025 175.900 0.197 0.000 1.134 121 Y CA -0.183 58.029 58.100 0.187 0.000 1.293 121 Y CB 0.347 38.935 38.460 0.215 0.000 1.063 121 Y HN -0.103 nan 8.280 nan 0.000 0.534 122 A N 0.981 123.951 122.820 0.251 0.000 2.445 122 A HA 0.058 4.378 4.320 -0.000 0.000 0.242 122 A C 0.297 177.878 177.584 -0.005 0.000 1.075 122 A CA -0.373 51.584 52.037 -0.135 0.000 0.777 122 A CB -0.017 18.922 19.000 -0.103 0.000 1.013 122 A HN 0.312 nan 8.150 nan 0.000 0.493 123 N N 1.442 120.121 118.700 -0.035 0.000 2.482 123 N HA 0.044 4.784 4.740 -0.000 0.000 0.242 123 N C 0.619 176.198 175.510 0.114 0.000 1.100 123 N CA -0.321 52.768 53.050 0.064 0.000 0.946 123 N CB 0.627 39.167 38.487 0.089 0.000 1.227 123 N HN 0.475 nan 8.380 nan 0.000 0.508 124 K N 2.261 122.724 120.400 0.106 0.000 2.152 124 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 124 K C 0.760 177.435 176.600 0.126 0.000 1.048 124 K CA 1.079 57.435 56.287 0.114 0.000 0.933 124 K CB 0.058 32.607 32.500 0.081 0.000 0.721 124 K HN 0.562 nan 8.250 nan 0.000 0.447 125 D N 0.790 121.261 120.400 0.119 0.000 2.097 125 D HA -0.118 4.522 4.640 -0.000 0.000 0.195 125 D C 1.850 178.267 176.300 0.196 0.000 0.989 125 D CA 1.546 55.622 54.000 0.127 0.000 0.827 125 D CB -0.103 40.759 40.800 0.104 0.000 0.966 125 D HN 0.162 nan 8.370 nan 0.000 0.456 126 A N 0.729 123.701 122.820 0.253 0.000 1.902 126 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 126 A C 2.189 180.048 177.584 0.458 0.000 1.181 126 A CA 0.908 53.184 52.037 0.399 0.000 0.623 126 A CB -0.722 18.516 19.000 0.396 0.000 0.818 126 A HN 0.198 nan 8.150 nan 0.000 0.443 127 L N 0.657 122.125 121.223 0.409 0.000 2.046 127 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 127 L C 1.938 179.015 176.870 0.346 0.000 1.077 127 L CA 2.292 57.409 54.840 0.461 0.000 0.747 127 L CB -0.848 41.393 42.059 0.303 0.000 0.896 127 L HN 0.508 nan 8.230 nan 0.000 0.432 128 N N -2.227 116.588 118.700 0.191 0.000 2.188 128 N HA -0.224 4.516 4.740 -0.000 0.000 0.184 128 N C 1.850 177.369 175.510 0.016 0.000 1.018 128 N CA 0.843 53.948 53.050 0.091 0.000 0.858 128 N CB -0.240 38.281 38.487 0.058 0.000 0.989 128 N HN 0.476 nan 8.380 nan 0.000 0.426 129 H N -0.087 118.910 119.070 -0.121 0.000 2.357 129 H HA -0.114 4.442 4.556 -0.000 0.000 0.301 129 H C 1.456 176.418 175.328 -0.610 0.000 1.082 129 H CA 1.471 57.263 56.048 -0.427 0.000 1.342 129 H CB 0.066 29.457 29.762 -0.617 0.000 1.389 129 H HN 0.279 nan 8.280 nan 0.000 0.511 130 Y N 1.164 121.243 120.300 -0.368 0.000 2.181 130 Y HA -0.195 4.355 4.550 -0.000 0.000 0.288 130 Y C 3.047 178.455 175.900 -0.820 0.000 1.146 130 Y CA 1.730 59.403 58.100 -0.712 0.000 1.164 130 Y CB -0.406 37.849 38.460 -0.342 0.000 0.982 130 Y HN 0.166 nan 8.280 nan 0.000 0.515 131 R N 0.582 121.102 120.500 0.033 0.000 2.105 131 R HA -0.187 4.153 4.340 -0.000 0.000 0.239 131 R C 1.973 178.209 176.300 -0.107 0.000 1.135 131 R CA 1.946 58.155 56.100 0.181 0.000 0.967 131 R CB -0.224 30.204 30.300 0.212 0.000 0.861 131 R HN 0.399 nan 8.270 nan 0.000 0.442 132 E N 0.229 120.251 120.200 -0.298 0.000 2.072 132 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 132 E C 2.072 178.382 176.600 -0.482 0.000 0.985 132 E CA 1.522 57.718 56.400 -0.340 0.000 0.801 132 E CB -0.093 29.359 29.700 -0.414 0.000 0.750 132 E HN 0.425 nan 8.360 nan 0.000 0.452 133 I N 0.540 120.545 120.570 -0.941 0.000 2.179 133 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 133 I C 2.015 177.977 176.117 -0.259 0.000 1.088 133 I CA 1.051 61.748 61.300 -1.005 0.000 1.357 133 I CB -0.235 37.010 38.000 -1.258 0.000 1.051 133 I HN 0.064 nan 8.210 nan 0.000 0.409 134 F N 1.160 120.952 119.950 -0.262 0.000 2.259 134 F HA -0.096 4.431 4.527 -0.000 0.000 0.298 134 F C 2.406 178.070 175.800 -0.226 0.000 1.088 134 F CA 0.872 58.665 58.000 -0.345 0.000 1.358 134 F CB -1.041 37.763 39.000 -0.326 0.000 1.040 134 F HN -0.035 nan 8.300 nan 0.000 0.505 135 K N 0.039 120.469 120.400 0.049 0.000 2.097 135 K HA -0.184 4.136 4.320 -0.000 0.000 0.205 135 K C 1.978 178.599 176.600 0.035 0.000 1.050 135 K CA 1.425 57.733 56.287 0.035 0.000 0.938 135 K CB -0.388 32.125 32.500 0.022 0.000 0.718 135 K HN 0.244 nan 8.250 nan 0.000 0.442 136 D N 1.148 121.593 120.400 0.076 0.000 2.117 136 D HA -0.167 4.473 4.640 -0.000 0.000 0.197 136 D C 2.024 178.398 176.300 0.124 0.000 0.987 136 D CA 0.767 54.867 54.000 0.167 0.000 0.829 136 D CB 0.189 41.204 40.800 0.359 0.000 0.961 136 D HN 0.018 nan 8.370 nan 0.000 0.460 137 L N 1.440 122.663 121.223 0.000 0.000 2.017 137 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 137 L C 2.303 179.088 176.870 -0.141 0.000 1.073 137 L CA 1.689 56.364 54.840 -0.274 0.000 0.745 137 L CB -0.387 41.398 42.059 -0.458 0.000 0.894 137 L HN -0.147 nan 8.230 nan 0.000 0.432 138 K N -0.375 119.961 120.400 -0.107 0.000 2.103 138 K HA -0.050 4.270 4.320 -0.000 0.000 0.204 138 K C 2.189 178.786 176.600 -0.004 0.000 1.052 138 K CA 1.367 57.623 56.287 -0.052 0.000 0.945 138 K CB -0.520 31.958 32.500 -0.037 0.000 0.722 138 K HN 0.607 nan 8.250 nan 0.000 0.443 139 S N 0.989 116.696 115.700 0.012 0.000 2.469 139 S HA -0.088 4.382 4.470 -0.000 0.000 0.238 139 S C 1.629 176.250 174.600 0.036 0.000 0.998 139 S CA 0.686 58.902 58.200 0.027 0.000 0.957 139 S CB -0.175 63.047 63.200 0.035 0.000 0.764 139 S HN 0.249 nan 8.310 nan 0.000 0.514 140 R N 0.536 121.059 120.500 0.039 0.000 2.388 140 R HA 0.306 4.646 4.340 -0.000 0.000 0.247 140 R C 1.441 177.774 176.300 0.055 0.000 0.931 140 R CA 0.341 56.474 56.100 0.055 0.000 1.082 140 R CB -0.131 30.216 30.300 0.077 0.000 1.135 140 R HN 0.549 nan 8.270 nan 0.000 0.525 141 G N 1.295 110.121 108.800 0.044 0.000 2.148 141 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.254 141 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.254 141 G C 0.066 175.010 174.900 0.072 0.000 0.981 141 G CA -0.120 45.013 45.100 0.055 0.000 0.670 141 G HN 0.203 nan 8.290 nan 0.000 0.528 142 L N 0.104 121.363 121.223 0.059 0.000 2.331 142 L HA 0.466 4.806 4.340 -0.000 0.000 0.278 142 L C 0.950 177.873 176.870 0.088 0.000 1.106 142 L CA -1.257 53.630 54.840 0.079 0.000 0.824 142 L CB 0.587 42.679 42.059 0.056 0.000 1.142 142 L HN 0.196 nan 8.230 nan 0.000 0.443 143 Y N 3.587 123.870 120.300 -0.029 0.000 2.497 143 Y HA 0.116 4.666 4.550 -0.000 0.000 0.334 143 Y C -0.493 175.389 175.900 -0.029 0.000 1.199 143 Y CA 0.158 58.228 58.100 -0.050 0.000 1.425 143 Y CB 0.555 38.957 38.460 -0.097 0.000 1.291 143 Y HN 0.356 nan 8.280 nan 0.000 0.562 144 F N 7.356 126.989 119.950 -0.529 0.000 2.499 144 F HA 0.488 5.015 4.527 -0.000 0.000 0.333 144 F C -1.399 174.076 175.800 -0.540 0.000 1.138 144 F CA -1.848 55.866 58.000 -0.477 0.000 0.945 144 F CB 0.462 39.202 39.000 -0.433 0.000 1.181 144 F HN 0.313 nan 8.300 nan 0.000 0.435 145 I N 5.745 125.942 120.570 -0.621 0.000 2.307 145 I HA 0.197 4.367 4.170 -0.000 0.000 0.289 145 I C -0.531 175.047 176.117 -0.899 0.000 1.021 145 I CA -0.799 60.098 61.300 -0.671 0.000 1.224 145 I CB 1.383 39.161 38.000 -0.371 0.000 1.376 145 I HN 0.506 nan 8.210 nan 0.000 0.470 146 Q N 6.342 125.506 119.800 -1.059 0.000 2.314 146 Q HA 0.202 4.542 4.340 -0.000 0.000 0.257 146 Q C -0.672 175.218 176.000 -0.183 0.000 0.975 146 Q CA -0.121 55.183 55.803 -0.832 0.000 0.933 146 Q CB 0.772 29.005 28.738 -0.842 0.000 1.195 146 Q HN 0.568 nan 8.270 nan 0.000 0.426 147 N N 3.901 122.580 118.700 -0.035 0.000 2.421 147 N HA 0.193 4.933 4.740 -0.000 0.000 0.285 147 N C 0.234 175.887 175.510 0.240 0.000 1.027 147 N CA -0.332 52.810 53.050 0.153 0.000 0.918 147 N CB 0.747 39.350 38.487 0.194 0.000 1.152 147 N HN 0.637 nan 8.380 nan 0.000 0.485 148 M N 1.573 121.370 119.600 0.329 0.000 2.388 148 M HA 0.072 4.552 4.480 -0.000 0.000 0.265 148 M C -0.405 176.361 176.300 0.777 0.000 1.088 148 M CA 0.748 56.325 55.300 0.461 0.000 1.134 148 M CB -0.795 32.015 32.600 0.349 0.000 1.384 148 M HN 0.612 nan 8.290 nan 0.000 0.447 149 Y N -0.434 120.190 120.300 0.541 0.000 2.441 149 Y HA 0.355 4.905 4.550 -0.000 0.000 0.334 149 Y C -0.977 175.183 175.900 0.433 0.000 1.061 149 Y CA -1.379 57.049 58.100 0.546 0.000 1.032 149 Y CB 0.924 39.700 38.460 0.528 0.000 1.266 149 Y HN 0.207 nan 8.280 nan 0.000 0.441 150 H N 6.684 125.636 119.070 -0.196 0.000 2.624 150 H HA 0.264 4.820 4.556 -0.000 0.000 0.233 150 H C -0.754 174.331 175.328 -0.405 0.000 1.376 150 H CA -0.201 55.635 56.048 -0.354 0.000 1.137 150 H CB 0.040 29.736 29.762 -0.110 0.000 1.867 150 H HN 0.797 nan 8.280 nan 0.000 0.547 151 W N -2.814 117.912 121.300 -0.957 0.000 0.269 151 W HA -0.216 4.444 4.660 0.000 0.000 0.213 151 W C -2.169 174.473 176.519 0.206 0.000 0.912 151 W CA 0.469 57.580 57.345 -0.390 0.000 0.324 151 W CB -2.661 26.537 29.460 -0.437 0.000 1.905 151 W HN 0.369 nan 8.180 nan 0.000 1.110 152 P HA 0.268 nan 4.420 nan 0.000 0.265 152 P C 0.082 177.675 177.300 0.489 0.000 1.193 152 P CA 0.725 64.107 63.100 0.469 0.000 0.765 152 P CB 0.278 32.102 31.700 0.207 0.000 0.823 153 L N 5.407 126.790 121.223 0.267 0.000 2.346 153 L HA 0.496 4.836 4.340 -0.000 0.000 0.274 153 L C -2.146 174.566 176.870 -0.265 0.000 1.007 153 L CA -2.743 52.057 54.840 -0.067 0.000 0.818 153 L CB 2.245 44.168 42.059 -0.226 0.000 1.284 153 L HN 0.198 nan 8.230 nan 0.000 0.424 154 P HA 0.003 nan 4.420 nan 0.000 0.266 154 P C 0.879 177.880 177.300 -0.498 0.000 1.195 154 P CA -0.038 62.739 63.100 -0.538 0.000 0.768 154 P CB 1.023 32.205 31.700 -0.863 0.000 0.838 155 L N 2.393 123.495 121.223 -0.201 0.000 2.129 155 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 155 L C 2.298 179.112 176.870 -0.093 0.000 1.087 155 L CA 1.483 56.257 54.840 -0.110 0.000 0.757 155 L CB -0.711 41.349 42.059 0.001 0.000 0.896 155 L HN 0.613 nan 8.230 nan 0.000 0.434 156 W N -0.982 120.248 121.300 -0.115 0.000 2.848 156 W HA -0.049 4.611 4.660 -0.000 0.000 0.241 156 W C 1.137 177.575 176.519 -0.136 0.000 1.289 156 W CA 0.232 57.514 57.345 -0.105 0.000 1.396 156 W CB -0.555 28.849 29.460 -0.093 0.000 1.138 156 W HN 0.213 nan 8.180 nan 0.000 0.677 157 L N -0.477 120.372 121.223 -0.624 0.000 2.701 157 L HA 0.284 4.624 4.340 -0.000 0.000 0.238 157 L C 0.093 176.777 176.870 -0.310 0.000 1.106 157 L CA 0.363 54.822 54.840 -0.636 0.000 0.898 157 L CB 0.031 41.390 42.059 -1.167 0.000 1.188 157 L HN 0.002 nan 8.230 nan 0.000 0.508 158 H N 0.002 118.865 119.070 -0.346 0.000 3.235 158 H HA 0.086 4.642 4.556 -0.000 0.000 0.324 158 H C -1.665 173.581 175.328 -0.136 0.000 1.059 158 H CA -0.567 55.344 56.048 -0.228 0.000 1.497 158 H CB 1.645 31.242 29.762 -0.275 0.000 1.986 158 H HN -0.139 nan 8.280 nan 0.000 0.444 159 D N 7.875 128.199 120.400 -0.126 0.000 2.467 159 D HA 0.125 4.765 4.640 -0.000 0.000 0.220 159 D C -1.540 174.573 176.300 -0.312 0.000 1.103 159 D CA -2.452 51.437 54.000 -0.185 0.000 0.886 159 D CB 1.720 42.482 40.800 -0.064 0.000 1.025 159 D HN 0.362 nan 8.370 nan 0.000 0.514 160 P HA -0.170 nan 4.420 nan 0.000 0.216 160 P C 1.627 178.934 177.300 0.012 0.000 1.150 160 P CA 0.573 63.429 63.100 -0.406 0.000 0.837 160 P CB 0.534 32.012 31.700 -0.369 0.000 0.786 161 I N 0.028 120.621 120.570 0.038 0.000 2.252 161 I HA -0.119 4.051 4.170 -0.000 0.000 0.245 161 I C 2.872 178.982 176.117 -0.012 0.000 1.102 161 I CA 1.048 62.373 61.300 0.041 0.000 1.385 161 I CB -1.653 36.341 38.000 -0.011 0.000 1.064 161 I HN -0.034 nan 8.210 nan 0.000 0.414 162 R N 0.759 121.228 120.500 -0.051 0.000 2.080 162 R HA -0.144 4.196 4.340 -0.000 0.000 0.236 162 R C 2.412 178.611 176.300 -0.168 0.000 1.137 162 R CA 1.712 57.758 56.100 -0.090 0.000 0.943 162 R CB -0.210 30.043 30.300 -0.079 0.000 0.846 162 R HN 0.163 nan 8.270 nan 0.000 0.431 163 V N 1.179 120.992 119.914 -0.169 0.000 2.407 163 V HA -0.235 3.884 4.120 -0.000 0.000 0.248 163 V C 2.537 178.514 176.094 -0.195 0.000 1.055 163 V CA 1.823 63.929 62.300 -0.323 0.000 1.049 163 V CB -0.708 31.082 31.823 -0.056 0.000 0.662 163 V HN 0.385 nan 8.190 nan 0.000 0.455 164 R N 0.729 121.249 120.500 0.034 0.000 2.127 164 R HA -0.137 4.203 4.340 -0.000 0.000 0.238 164 R C 2.212 178.598 176.300 0.142 0.000 1.134 164 R CA 1.524 57.735 56.100 0.184 0.000 0.975 164 R CB -0.208 30.242 30.300 0.250 0.000 0.865 164 R HN 0.446 nan 8.270 nan 0.000 0.447 165 R N -1.053 119.456 120.500 0.016 0.000 2.323 165 R HA 0.039 4.379 4.340 -0.000 0.000 0.198 165 R C 1.032 177.323 176.300 -0.014 0.000 0.988 165 R CA 0.586 56.687 56.100 0.002 0.000 1.041 165 R CB 0.219 30.498 30.300 -0.035 0.000 0.926 165 R HN 0.522 nan 8.270 nan 0.000 0.476 166 G N 1.484 110.211 108.800 -0.121 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 -0.475 174.144 174.900 -0.470 0.000 0.982 166 G CA 0.115 45.094 45.100 -0.201 0.000 0.650 166 G HN 0.404 nan 8.290 nan 0.000 0.527 167 D N -0.156 119.939 120.400 -0.510 0.000 2.359 167 D HA 0.559 5.199 4.640 -0.000 0.000 0.230 167 D C 0.434 176.415 176.300 -0.531 0.000 1.118 167 D CA -0.861 52.928 54.000 -0.352 0.000 0.844 167 D CB -0.044 40.651 40.800 -0.174 0.000 1.059 167 D HN 0.035 nan 8.370 nan 0.000 0.493 168 F N 1.666 121.583 119.950 -0.055 0.000 2.750 168 F HA 0.127 4.654 4.527 -0.000 0.000 0.297 168 F C 2.046 177.829 175.800 -0.029 0.000 1.138 168 F CA -0.196 57.769 58.000 -0.058 0.000 1.346 168 F CB 0.330 39.276 39.000 -0.091 0.000 0.965 168 F HN 0.376 nan 8.300 nan 0.000 0.514 169 T N -3.342 111.257 114.554 0.075 0.000 3.107 169 T HA 0.393 4.743 4.350 -0.000 0.000 0.249 169 T C 1.076 175.802 174.700 0.044 0.000 1.096 169 T CA 0.316 62.452 62.100 0.060 0.000 1.012 169 T CB 0.027 68.917 68.868 0.036 0.000 0.977 169 T HN 0.187 nan 8.240 nan 0.000 0.527 170 G N 1.452 110.273 108.800 0.035 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 -2.832 172.097 174.900 0.048 0.000 1.351 170 G CA -1.924 43.197 45.100 0.034 0.000 1.039 170 G HN 0.086 nan 8.290 nan 0.000 0.563 171 P HA 0.148 nan 4.420 nan 0.000 0.264 171 P C 0.326 177.673 177.300 0.078 0.000 1.229 171 P CA 0.191 63.310 63.100 0.032 0.000 0.780 171 P CB 0.898 32.604 31.700 0.011 0.000 0.808 172 S N 2.138 117.864 115.700 0.042 0.000 2.583 172 S HA 0.411 4.881 4.470 -0.000 0.000 0.239 172 S C 1.242 175.711 174.600 -0.218 0.000 0.966 172 S CA -0.067 58.167 58.200 0.057 0.000 0.973 172 S CB -0.776 62.492 63.200 0.114 0.000 0.794 172 S HN 0.638 nan 8.310 nan 0.000 0.463 173 G N 2.090 110.643 108.800 -0.411 0.000 2.634 173 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.309 173 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.309 173 G C 0.333 174.911 174.900 -0.537 0.000 1.265 173 G CA 0.435 45.079 45.100 -0.759 0.000 0.998 173 G HN 0.624 nan 8.290 nan 0.000 0.551 174 W N 0.906 122.069 121.300 -0.229 0.000 2.848 174 W HA 0.347 5.007 4.660 -0.000 0.000 0.241 174 W C 2.311 178.780 176.519 -0.082 0.000 1.289 174 W CA 0.108 57.389 57.345 -0.106 0.000 1.396 174 W CB -0.169 29.259 29.460 -0.054 0.000 1.138 174 W HN 0.253 nan 8.180 nan 0.000 0.677 175 L N -0.410 120.841 121.223 0.047 0.000 2.558 175 L HA 0.091 4.431 4.340 -0.000 0.000 0.225 175 L C 1.231 178.120 176.870 0.032 0.000 1.128 175 L CA 0.361 55.207 54.840 0.010 0.000 0.868 175 L CB -0.251 41.802 42.059 -0.010 0.000 1.006 175 L HN -0.252 nan 8.230 nan 0.000 0.454 176 S N -0.800 114.921 115.700 0.035 0.000 2.454 176 S HA 0.206 4.676 4.470 -0.000 0.000 0.306 176 S C 1.183 175.866 174.600 0.137 0.000 1.100 176 S CA -0.442 57.797 58.200 0.065 0.000 1.087 176 S CB 1.442 64.659 63.200 0.027 0.000 1.019 176 S HN 0.309 nan 8.310 nan 0.000 0.480 177 T N 2.560 117.242 114.554 0.213 0.000 3.051 177 T HA -0.056 4.294 4.350 -0.000 0.000 0.269 177 T C 1.719 176.662 174.700 0.405 0.000 1.127 177 T CA 0.698 63.002 62.100 0.341 0.000 1.107 177 T CB -0.254 68.838 68.868 0.374 0.000 0.898 177 T HN 0.559 nan 8.240 nan 0.000 0.517 178 R N 1.765 122.439 120.500 0.291 0.000 2.096 178 R HA -0.021 4.319 4.340 -0.000 0.000 0.235 178 R C 2.232 178.575 176.300 0.072 0.000 1.127 178 R CA 1.986 58.157 56.100 0.118 0.000 0.968 178 R CB -1.397 28.966 30.300 0.106 0.000 0.861 178 R HN 0.410 nan 8.270 nan 0.000 0.440 179 T N -0.137 114.424 114.554 0.011 0.000 2.777 179 T HA -0.060 4.290 4.350 -0.000 0.000 0.266 179 T C 1.785 176.553 174.700 0.114 0.000 1.040 179 T CA 1.408 63.436 62.100 -0.120 0.000 1.141 179 T CB -0.242 68.329 68.868 -0.494 0.000 0.868 179 T HN 0.017 nan 8.240 nan 0.000 0.444 180 V N 0.679 120.745 119.914 0.253 0.000 2.255 180 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 180 V C 2.004 178.281 176.094 0.305 0.000 1.051 180 V CA 1.806 64.344 62.300 0.398 0.000 1.018 180 V CB -0.740 31.302 31.823 0.365 0.000 0.641 180 V HN 0.524 nan 8.190 nan 0.000 0.445 181 Y N 1.273 121.611 120.300 0.063 0.000 2.097 181 Y HA -0.254 4.296 4.550 -0.000 0.000 0.282 181 Y C 2.660 178.533 175.900 -0.045 0.000 1.152 181 Y CA 2.177 60.211 58.100 -0.109 0.000 1.136 181 Y CB -0.137 37.958 38.460 -0.608 0.000 0.975 181 Y HN 0.236 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 4.148 4.350 -0.000 0.000 0.193 182 E C 2.024 178.696 176.600 0.120 0.000 0.985 182 E CA 1.047 57.536 56.400 0.149 0.000 0.814 182 E CB -0.731 29.214 29.700 0.408 0.000 0.752 182 E HN 0.580 nan 8.360 nan 0.000 0.466 183 F N 1.630 121.583 119.950 0.005 0.000 2.186 183 F HA -0.073 4.454 4.527 0.000 0.000 0.299 183 F C 2.192 177.892 175.800 -0.167 0.000 1.090 183 F CA 1.111 58.959 58.000 -0.253 0.000 1.307 183 F CB -0.366 38.652 39.000 0.030 0.000 1.019 183 F HN -0.030 nan 8.300 nan 0.000 0.489 184 A N 0.851 123.535 122.820 -0.227 0.000 1.877 184 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 184 A C 2.366 179.718 177.584 -0.388 0.000 1.186 184 A CA 1.859 53.693 52.037 -0.338 0.000 0.620 184 A CB -0.747 18.126 19.000 -0.212 0.000 0.822 184 A HN 0.443 nan 8.150 nan 0.000 0.443 185 R N -1.842 118.437 120.500 -0.368 0.000 2.081 185 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 185 R C 2.038 178.204 176.300 -0.223 0.000 1.131 185 R CA 1.607 57.517 56.100 -0.315 0.000 0.960 185 R CB -0.604 29.480 30.300 -0.361 0.000 0.856 185 R HN 0.591 nan 8.270 nan 0.000 0.436 186 F N 1.738 121.437 119.950 -0.418 0.000 2.095 186 F HA -0.220 4.307 4.527 0.000 0.000 0.298 186 F C 2.164 177.799 175.800 -0.275 0.000 1.104 186 F CA 1.692 59.464 58.000 -0.380 0.000 1.232 186 F CB -0.424 38.032 39.000 -0.907 0.000 0.987 186 F HN -0.143 nan 8.300 nan 0.000 0.475 187 S N 0.697 115.967 115.700 -0.717 0.000 2.359 187 S HA -0.201 4.269 4.470 -0.000 0.000 0.224 187 S C 2.348 176.658 174.600 -0.483 0.000 1.035 187 S CA 1.231 58.998 58.200 -0.722 0.000 1.018 187 S CB -1.047 61.695 63.200 -0.763 0.000 0.876 187 S HN 0.580 nan 8.310 nan 0.000 0.448 188 A N 0.597 123.197 122.820 -0.366 0.000 1.902 188 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 188 A C 1.955 179.478 177.584 -0.102 0.000 1.181 188 A CA 1.709 53.596 52.037 -0.249 0.000 0.623 188 A CB -1.024 17.836 19.000 -0.233 0.000 0.818 188 A HN 0.572 nan 8.150 nan 0.000 0.443 189 Y N 1.168 121.373 120.300 -0.159 0.000 2.097 189 Y HA -0.224 4.326 4.550 -0.000 0.000 0.282 189 Y C 2.709 178.691 175.900 0.136 0.000 1.152 189 Y CA 2.455 60.601 58.100 0.076 0.000 1.136 189 Y CB -0.834 37.722 38.460 0.161 0.000 0.975 189 Y HN 0.302 nan 8.280 nan 0.000 0.498 190 T N 0.631 115.137 114.554 -0.080 0.000 2.746 190 T HA -0.209 4.141 4.350 -0.000 0.000 0.267 190 T C 2.081 176.838 174.700 0.095 0.000 1.039 190 T CA 1.571 63.671 62.100 0.000 0.000 1.142 190 T CB -0.802 67.978 68.868 -0.147 0.000 0.866 190 T HN 0.508 nan 8.240 nan 0.000 0.444 191 A N 0.276 123.066 122.820 -0.049 0.000 1.933 191 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 191 A C 2.021 179.655 177.584 0.082 0.000 1.175 191 A CA 1.454 53.479 52.037 -0.021 0.000 0.628 191 A CB -1.055 17.693 19.000 -0.420 0.000 0.814 191 A HN 0.707 nan 8.150 nan 0.000 0.444 192 W N 1.024 122.212 121.300 -0.187 0.000 2.374 192 W HA -0.088 4.572 4.660 -0.000 0.000 0.288 192 W C 1.703 178.079 176.519 -0.238 0.000 1.218 192 W CA 1.816 59.047 57.345 -0.190 0.000 1.245 192 W CB 0.144 29.480 29.460 -0.207 0.000 1.126 192 W HN 0.247 nan 8.180 nan 0.000 0.545 193 K N -1.617 118.558 120.400 -0.375 0.000 2.352 193 K HA 0.073 4.393 4.320 -0.000 0.000 0.194 193 K C 0.824 177.023 176.600 -0.669 0.000 1.038 193 K CA 0.413 56.272 56.287 -0.713 0.000 1.023 193 K CB -0.151 31.792 32.500 -0.929 0.000 0.840 193 K HN 0.110 nan 8.250 nan 0.000 0.519 194 F N 0.546 120.470 119.950 -0.044 0.000 2.706 194 F HA 0.121 4.648 4.527 -0.000 0.000 0.313 194 F C 1.402 177.232 175.800 0.050 0.000 1.096 194 F CA -0.544 57.487 58.000 0.052 0.000 1.219 194 F CB 0.291 39.379 39.000 0.148 0.000 1.051 194 F HN -0.090 nan 8.300 nan 0.000 0.568 195 D N 1.227 121.740 120.400 0.187 0.000 2.190 195 D HA -0.231 4.409 4.640 -0.000 0.000 0.200 195 D C 1.964 178.299 176.300 0.058 0.000 0.992 195 D CA 1.962 56.059 54.000 0.161 0.000 0.854 195 D CB -0.019 40.869 40.800 0.146 0.000 0.936 195 D HN 0.370 nan 8.370 nan 0.000 0.462 196 D N -0.243 120.180 120.400 0.039 0.000 2.264 196 D HA -0.164 4.476 4.640 -0.000 0.000 0.208 196 D C 2.010 178.331 176.300 0.036 0.000 0.966 196 D CA 0.624 54.635 54.000 0.018 0.000 0.864 196 D CB -0.335 40.462 40.800 -0.004 0.000 0.933 196 D HN 0.379 nan 8.370 nan 0.000 0.499 197 L N 0.330 121.610 121.223 0.095 0.000 2.463 197 L HA 0.149 4.489 4.340 -0.000 0.000 0.219 197 L C 0.765 177.689 176.870 0.089 0.000 1.088 197 L CA -0.083 54.832 54.840 0.124 0.000 0.849 197 L CB 0.550 42.764 42.059 0.259 0.000 1.012 197 L HN -0.175 nan 8.230 nan 0.000 0.468 198 V N 0.631 120.508 119.914 -0.062 0.000 2.649 198 V HA 0.046 4.166 4.120 -0.000 0.000 0.292 198 V C 0.546 176.360 176.094 -0.467 0.000 1.055 198 V CA -0.023 62.033 62.300 -0.407 0.000 1.023 198 V CB 1.661 33.000 31.823 -0.805 0.000 0.992 198 V HN 0.169 nan 8.190 nan 0.000 0.480 199 D N 1.698 121.718 120.400 -0.632 0.000 2.490 199 D HA 0.169 4.809 4.640 -0.000 0.000 0.244 199 D C 0.381 176.368 176.300 -0.520 0.000 0.979 199 D CA 0.667 54.282 54.000 -0.642 0.000 0.924 199 D CB 0.917 40.950 40.800 -1.279 0.000 1.075 199 D HN 0.671 nan 8.370 nan 0.000 0.488 200 E N -0.549 119.292 120.200 -0.597 0.000 2.366 200 E HA 0.345 4.695 4.350 -0.000 0.000 0.278 200 E C -1.378 175.024 176.600 -0.330 0.000 0.923 200 E CA -0.596 55.621 56.400 -0.304 0.000 0.761 200 E CB 2.269 31.884 29.700 -0.141 0.000 1.231 200 E HN -0.071 nan 8.360 nan 0.000 0.443 201 Y N 0.303 120.674 120.300 0.118 0.000 2.496 201 Y HA 0.514 5.064 4.550 -0.000 0.000 0.331 201 Y C 0.318 176.382 175.900 0.274 0.000 1.140 201 Y CA -0.599 57.552 58.100 0.086 0.000 1.166 201 Y CB 2.207 40.667 38.460 -0.001 0.000 1.249 201 Y HN 0.318 nan 8.280 nan 0.000 0.479 202 S N -0.379 115.525 115.700 0.339 0.000 2.571 202 S HA 0.274 4.744 4.470 -0.000 0.000 0.284 202 S C 0.530 175.257 174.600 0.212 0.000 1.128 202 S CA -0.141 58.175 58.200 0.194 0.000 0.970 202 S CB 0.838 64.153 63.200 0.192 0.000 1.039 202 S HN 0.835 nan 8.310 nan 0.000 0.485 203 T N 2.515 117.205 114.554 0.228 0.000 2.770 203 T HA 0.148 4.498 4.350 -0.000 0.000 0.263 203 T C 0.943 175.952 174.700 0.515 0.000 1.039 203 T CA 1.143 63.464 62.100 0.368 0.000 1.142 203 T CB -0.540 68.620 68.868 0.487 0.000 0.868 203 T HN 0.804 nan 8.240 nan 0.000 0.435 204 M N -0.398 119.418 119.600 0.360 0.000 2.683 204 M HA 0.637 5.117 4.480 -0.000 0.000 0.274 204 M C -1.845 174.531 176.300 0.128 0.000 1.272 204 M CA -1.164 54.342 55.300 0.342 0.000 0.833 204 M CB 1.949 34.780 32.600 0.385 0.000 1.708 204 M HN -0.030 nan 8.290 nan 0.000 0.463 205 N N 0.218 118.926 118.700 0.013 0.000 2.392 205 N HA 0.296 5.036 4.740 -0.000 0.000 0.283 205 N C -1.234 174.233 175.510 -0.072 0.000 1.003 205 N CA -0.031 52.913 53.050 -0.177 0.000 0.892 205 N CB 1.207 39.294 38.487 -0.666 0.000 1.193 205 N HN 0.836 nan 8.380 nan 0.000 0.487 206 E N 1.860 122.011 120.200 -0.082 0.000 2.197 206 E HA -0.179 4.171 4.350 -0.000 0.000 0.184 206 E C -1.707 174.800 176.600 -0.155 0.000 1.439 206 E CA 0.106 56.429 56.400 -0.128 0.000 0.688 206 E CB -0.513 29.204 29.700 0.029 0.000 1.090 206 E HN 0.672 nan 8.360 nan 0.000 0.341 207 P HA -0.230 nan 4.420 nan 0.000 0.220 207 P C 1.046 178.165 177.300 -0.303 0.000 1.148 207 P CA 1.505 64.466 63.100 -0.231 0.000 0.803 207 P CB 0.050 31.631 31.700 -0.198 0.000 0.782 208 N N 0.504 118.919 118.700 -0.476 0.000 2.244 208 N HA -0.088 4.652 4.740 -0.000 0.000 0.183 208 N C 1.683 177.006 175.510 -0.311 0.000 1.016 208 N CA 1.059 53.888 53.050 -0.367 0.000 0.866 208 N CB -1.669 36.458 38.487 -0.601 0.000 0.980 208 N HN 0.064 nan 8.380 nan 0.000 0.430 209 V N 0.956 120.633 119.914 -0.395 0.000 2.453 209 V HA -0.126 3.994 4.120 -0.000 0.000 0.247 209 V C 2.656 178.442 176.094 -0.514 0.000 1.048 209 V CA 0.850 62.878 62.300 -0.453 0.000 1.049 209 V CB -0.362 31.193 31.823 -0.446 0.000 0.672 209 V HN 0.103 nan 8.190 nan 0.000 0.457 210 V N 1.083 120.687 119.914 -0.517 0.000 2.255 210 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 210 V C 2.601 178.611 176.094 -0.141 0.000 1.051 210 V CA 2.494 64.549 62.300 -0.408 0.000 1.018 210 V CB -1.400 30.260 31.823 -0.271 0.000 0.641 210 V HN 0.602 nan 8.190 nan 0.000 0.445 211 G N -0.747 108.021 108.800 -0.053 0.000 2.430 211 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.216 211 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.216 211 G C 1.562 176.539 174.900 0.128 0.000 1.146 211 G CA 0.820 46.009 45.100 0.149 0.000 0.793 211 G HN 0.593 nan 8.290 nan 0.000 0.537 212 G N 1.071 109.851 108.800 -0.034 0.000 2.434 212 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.214 212 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.214 212 G C 1.734 176.561 174.900 -0.122 0.000 1.202 212 G CA 0.639 45.702 45.100 -0.062 0.000 0.788 212 G HN 0.379 nan 8.290 nan 0.000 0.539 213 L N 0.849 121.899 121.223 -0.288 0.000 2.240 213 L HA 0.103 4.443 4.340 -0.000 0.000 0.211 213 L C 3.091 179.796 176.870 -0.276 0.000 1.106 213 L CA 0.673 55.279 54.840 -0.390 0.000 0.793 213 L CB -0.491 41.044 42.059 -0.874 0.000 0.927 213 L HN 0.342 nan 8.230 nan 0.000 0.446 214 G N -0.727 107.918 108.800 -0.259 0.000 2.422 214 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 214 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 214 G C 1.029 175.562 174.900 -0.612 0.000 1.140 214 G CA 0.605 45.435 45.100 -0.450 0.000 0.775 214 G HN 0.390 nan 8.290 nan 0.000 0.545 215 Y N -1.589 118.712 120.300 0.002 0.000 2.527 215 Y HA 0.403 4.953 4.550 -0.000 0.000 0.247 215 Y C 1.720 177.647 175.900 0.045 0.000 1.138 215 Y CA -0.297 57.843 58.100 0.066 0.000 1.228 215 Y CB 0.941 39.467 38.460 0.110 0.000 1.252 215 Y HN 0.040 nan 8.280 nan 0.000 0.531 216 V N -1.953 118.030 119.914 0.115 0.000 3.161 216 V HA 0.264 4.383 4.120 -0.000 0.000 0.221 216 V C 1.654 177.759 176.094 0.018 0.000 1.296 216 V CA 0.675 63.036 62.300 0.102 0.000 1.306 216 V CB -0.241 31.680 31.823 0.163 0.000 1.171 216 V HN 0.209 nan 8.190 nan 0.000 0.513 217 G N 1.551 110.327 108.800 -0.039 0.000 3.401 217 G HA2 0.284 4.244 3.960 -0.000 0.000 0.251 217 G HA3 0.284 4.244 3.960 -0.000 0.000 0.251 217 G C 1.165 176.023 174.900 -0.070 0.000 0.960 217 G CA 0.615 45.672 45.100 -0.071 0.000 1.900 217 G HN 0.465 nan 8.290 nan 0.000 0.645 218 V N -1.366 118.528 119.914 -0.034 0.000 2.828 218 V HA -0.120 4.000 4.120 -0.000 0.000 0.260 218 V C 2.159 178.283 176.094 0.049 0.000 1.101 218 V CA 1.406 63.706 62.300 0.001 0.000 1.123 218 V CB -0.351 31.471 31.823 -0.001 0.000 0.704 218 V HN 0.424 nan 8.190 nan 0.000 0.493 219 K N 1.687 122.107 120.400 0.033 0.000 2.439 219 K HA -0.009 4.311 4.320 -0.000 0.000 0.197 219 K C 2.303 178.966 176.600 0.104 0.000 1.041 219 K CA 1.266 57.591 56.287 0.063 0.000 0.970 219 K CB -0.165 32.362 32.500 0.044 0.000 0.773 219 K HN 0.791 nan 8.250 nan 0.000 0.479 220 S N 0.004 115.753 115.700 0.081 0.000 2.515 220 S HA -0.005 4.465 4.470 -0.000 0.000 0.231 220 S C 1.375 176.206 174.600 0.386 0.000 0.987 220 S CA 0.623 58.903 58.200 0.133 0.000 0.936 220 S CB -0.201 62.914 63.200 -0.142 0.000 0.766 220 S HN 0.394 nan 8.310 nan 0.000 0.528 221 G N 0.473 109.495 108.800 0.370 0.000 2.182 221 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.248 221 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.248 221 G C -0.322 174.951 174.900 0.622 0.000 1.042 221 G CA -0.035 45.378 45.100 0.521 0.000 0.775 221 G HN 0.421 nan 8.290 nan 0.000 0.501 222 F N 1.416 121.330 119.950 -0.060 0.000 2.422 222 F HA 0.560 5.087 4.527 -0.000 0.000 0.333 222 F C -1.258 173.823 175.800 -1.198 0.000 1.095 222 F CA -2.905 54.760 58.000 -0.559 0.000 1.038 222 F CB 1.806 40.591 39.000 -0.357 0.000 1.156 222 F HN -0.075 nan 8.300 nan 0.000 0.483 223 P HA 0.120 nan 4.420 nan 0.000 0.275 223 P C -2.407 174.331 177.300 -0.938 0.000 1.228 223 P CA -1.296 60.573 63.100 -2.052 0.000 0.786 223 P CB 1.103 31.637 31.700 -1.944 0.000 0.927 224 P HA 0.032 nan 4.420 nan 0.000 0.255 224 P C 0.860 177.987 177.300 -0.289 0.000 1.248 224 P CA 0.594 63.397 63.100 -0.496 0.000 0.807 224 P CB -0.271 31.404 31.700 -0.043 0.000 1.150 225 G N 0.204 108.781 108.800 -0.373 0.000 2.273 225 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.280 225 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.280 225 G C -0.540 174.415 174.900 0.092 0.000 1.047 225 G CA -0.021 45.063 45.100 -0.027 0.000 0.869 225 G HN 0.493 nan 8.290 nan 0.000 0.502 226 Y N -0.103 120.166 120.300 -0.050 0.000 2.353 226 Y HA 0.598 5.148 4.550 -0.000 0.000 0.340 226 Y C 0.292 176.274 175.900 0.136 0.000 0.972 226 Y CA -1.717 56.442 58.100 0.098 0.000 1.157 226 Y CB 0.993 39.588 38.460 0.224 0.000 1.157 226 Y HN 0.221 nan 8.280 nan 0.000 0.495 227 L N 6.388 127.429 121.223 -0.304 0.000 2.456 227 L HA 0.379 4.719 4.340 -0.000 0.000 0.277 227 L C -0.507 176.236 176.870 -0.211 0.000 1.124 227 L CA 0.554 55.270 54.840 -0.207 0.000 0.880 227 L CB -0.040 41.875 42.059 -0.241 0.000 1.192 227 L HN 0.626 nan 8.230 nan 0.000 0.463 228 S N 4.199 119.917 115.700 0.029 0.000 2.550 228 S HA 0.311 4.781 4.470 -0.000 0.000 0.274 228 S C 0.662 175.356 174.600 0.157 0.000 1.110 228 S CA -0.607 57.633 58.200 0.067 0.000 1.013 228 S CB 0.052 63.427 63.200 0.292 0.000 1.152 228 S HN 0.387 nan 8.310 nan 0.000 0.450 229 F N 2.816 122.774 119.950 0.013 0.000 2.095 229 F HA 0.008 4.535 4.527 -0.000 0.000 0.298 229 F C 2.459 178.230 175.800 -0.047 0.000 1.104 229 F CA 1.817 59.803 58.000 -0.024 0.000 1.232 229 F CB -0.644 38.327 39.000 -0.048 0.000 0.987 229 F HN 0.804 nan 8.300 nan 0.000 0.475 230 E N 0.391 120.687 120.200 0.160 0.000 2.058 230 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 230 E C 2.279 178.854 176.600 -0.043 0.000 0.997 230 E CA 1.134 57.552 56.400 0.029 0.000 0.801 230 E CB -0.260 29.440 29.700 0.001 0.000 0.746 230 E HN 0.347 nan 8.360 nan 0.000 0.450 231 L N 0.385 121.580 121.223 -0.048 0.000 2.275 231 L HA -0.106 4.234 4.340 -0.000 0.000 0.215 231 L C 2.648 179.310 176.870 -0.347 0.000 1.119 231 L CA 0.613 55.333 54.840 -0.201 0.000 0.790 231 L CB -0.296 41.668 42.059 -0.159 0.000 0.919 231 L HN 0.180 nan 8.230 nan 0.000 0.443 232 S N 0.069 115.686 115.700 -0.139 0.000 2.368 232 S HA -0.125 4.345 4.470 -0.000 0.000 0.224 232 S C 2.116 176.672 174.600 -0.073 0.000 1.029 232 S CA 0.993 59.142 58.200 -0.084 0.000 0.988 232 S CB 0.034 63.305 63.200 0.118 0.000 0.838 232 S HN 0.369 nan 8.310 nan 0.000 0.462 233 R N 0.533 120.995 120.500 -0.063 0.000 2.075 233 R HA 0.005 4.345 4.340 -0.000 0.000 0.232 233 R C 2.708 179.005 176.300 -0.005 0.000 1.126 233 R CA 1.308 57.377 56.100 -0.051 0.000 0.963 233 R CB -0.392 29.855 30.300 -0.089 0.000 0.858 233 R HN 0.353 nan 8.270 nan 0.000 0.435 234 R N 0.876 121.335 120.500 -0.069 0.000 2.091 234 R HA -0.132 4.208 4.340 -0.000 0.000 0.238 234 R C 2.226 178.541 176.300 0.025 0.000 1.136 234 R CA 1.561 57.637 56.100 -0.039 0.000 0.959 234 R CB -0.238 29.993 30.300 -0.114 0.000 0.856 234 R HN 0.241 nan 8.270 nan 0.000 0.437 235 A N 0.812 123.580 122.820 -0.087 0.000 1.877 235 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 235 A C 2.131 179.747 177.584 0.054 0.000 1.186 235 A CA 1.460 53.482 52.037 -0.025 0.000 0.620 235 A CB -0.368 18.527 19.000 -0.175 0.000 0.822 235 A HN 0.254 nan 8.150 nan 0.000 0.443 236 M N -2.036 117.621 119.600 0.095 0.000 2.159 236 M HA -0.091 4.388 4.480 -0.000 0.000 0.263 236 M C 2.092 178.524 176.300 0.219 0.000 1.063 236 M CA 1.228 56.652 55.300 0.206 0.000 1.110 236 M CB -1.460 31.377 32.600 0.394 0.000 1.374 236 M HN 0.621 nan 8.290 nan 0.000 0.411 237 Y N 1.806 122.160 120.300 0.089 0.000 2.145 237 Y HA -0.218 4.332 4.550 0.000 0.000 0.286 237 Y C 2.191 178.113 175.900 0.036 0.000 1.145 237 Y CA 1.760 59.898 58.100 0.064 0.000 1.148 237 Y CB -0.321 38.161 38.460 0.036 0.000 0.981 237 Y HN 0.289 nan 8.280 nan 0.000 0.507 238 N N 0.442 119.251 118.700 0.181 0.000 2.166 238 N HA -0.198 4.542 4.740 -0.000 0.000 0.186 238 N C 2.026 177.554 175.510 0.029 0.000 1.019 238 N CA 1.608 54.748 53.050 0.150 0.000 0.856 238 N CB -0.489 38.167 38.487 0.280 0.000 0.993 238 N HN 0.485 nan 8.380 nan 0.000 0.426 239 I N 0.745 121.231 120.570 -0.140 0.000 2.394 239 I HA -0.138 4.032 4.170 -0.000 0.000 0.251 239 I C 1.825 177.806 176.117 -0.226 0.000 1.136 239 I CA 0.641 61.658 61.300 -0.472 0.000 1.425 239 I CB 0.108 37.702 38.000 -0.677 0.000 1.079 239 I HN 0.043 nan 8.210 nan 0.000 0.425 240 I N 0.204 120.663 120.570 -0.184 0.000 2.252 240 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 240 I C 2.406 178.395 176.117 -0.212 0.000 1.102 240 I CA 1.304 62.427 61.300 -0.295 0.000 1.385 240 I CB -0.300 37.424 38.000 -0.460 0.000 1.064 240 I HN 0.310 nan 8.210 nan 0.000 0.414 241 Q N 0.541 120.217 119.800 -0.207 0.000 2.079 241 Q HA -0.171 4.169 4.340 -0.000 0.000 0.200 241 Q C 2.475 178.481 176.000 0.010 0.000 0.974 241 Q CA 1.617 57.344 55.803 -0.126 0.000 0.840 241 Q CB -0.278 28.402 28.738 -0.096 0.000 0.898 241 Q HN 0.551 nan 8.270 nan 0.000 0.430 242 A N 0.944 123.817 122.820 0.089 0.000 1.908 242 A HA -0.289 4.031 4.320 -0.000 0.000 0.218 242 A C 1.839 179.593 177.584 0.283 0.000 1.181 242 A CA 2.078 54.276 52.037 0.269 0.000 0.627 242 A CB -0.898 18.282 19.000 0.300 0.000 0.818 242 A HN 0.512 nan 8.150 nan 0.000 0.445 243 H N 0.055 119.175 119.070 0.084 0.000 2.290 243 H HA -0.008 4.548 4.556 -0.000 0.000 0.298 243 H C 2.170 177.526 175.328 0.048 0.000 1.087 243 H CA 2.340 58.445 56.048 0.095 0.000 1.291 243 H CB -0.483 29.254 29.762 -0.041 0.000 1.369 243 H HN 0.366 nan 8.280 nan 0.000 0.492 244 A N 0.519 123.189 122.820 -0.249 0.000 1.883 244 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 244 A C 2.453 179.944 177.584 -0.154 0.000 1.186 244 A CA 2.000 53.867 52.037 -0.283 0.000 0.624 244 A CB -0.565 18.327 19.000 -0.181 0.000 0.822 244 A HN 0.404 nan 8.150 nan 0.000 0.444 245 R N -0.400 120.056 120.500 -0.074 0.000 2.115 245 R HA 0.047 4.387 4.340 -0.000 0.000 0.230 245 R C 2.277 178.516 176.300 -0.102 0.000 1.111 245 R CA 1.429 57.500 56.100 -0.050 0.000 0.976 245 R CB -0.756 29.548 30.300 0.006 0.000 0.870 245 R HN 0.508 nan 8.270 nan 0.000 0.445 246 A N -0.950 121.802 122.820 -0.114 0.000 1.929 246 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 246 A C 1.996 179.446 177.584 -0.223 0.000 1.176 246 A CA 1.141 53.032 52.037 -0.242 0.000 0.628 246 A CB -0.719 18.131 19.000 -0.250 0.000 0.816 246 A HN 0.471 nan 8.150 nan 0.000 0.444 247 Y N 1.240 121.332 120.300 -0.346 0.000 2.181 247 Y HA -0.219 4.331 4.550 -0.000 0.000 0.288 247 Y C 1.745 177.510 175.900 -0.226 0.000 1.146 247 Y CA 2.109 60.019 58.100 -0.316 0.000 1.164 247 Y CB -0.115 38.095 38.460 -0.417 0.000 0.982 247 Y HN 0.341 nan 8.280 nan 0.000 0.515 248 D N -0.472 119.945 120.400 0.028 0.000 2.144 248 D HA -0.098 4.542 4.640 -0.000 0.000 0.200 248 D C 2.362 178.577 176.300 -0.142 0.000 0.978 248 D CA 1.392 55.377 54.000 -0.025 0.000 0.833 248 D CB -0.878 39.922 40.800 -0.001 0.000 0.961 248 D HN 0.525 nan 8.370 nan 0.000 0.470 249 G N 0.989 109.680 108.800 -0.183 0.000 2.421 249 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.216 249 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.216 249 G C 1.795 176.537 174.900 -0.262 0.000 1.171 249 G CA 0.359 45.325 45.100 -0.223 0.000 0.775 249 G HN 0.258 nan 8.290 nan 0.000 0.543 250 I N 0.330 120.697 120.570 -0.339 0.000 2.179 250 I HA -0.125 4.045 4.170 -0.000 0.000 0.242 250 I C 2.568 178.484 176.117 -0.335 0.000 1.088 250 I CA 0.956 62.004 61.300 -0.420 0.000 1.357 250 I CB -0.109 37.538 38.000 -0.590 0.000 1.051 250 I HN 0.001 nan 8.210 nan 0.000 0.409 251 K N 0.552 120.749 120.400 -0.338 0.000 2.360 251 K HA -0.061 4.259 4.320 -0.000 0.000 0.201 251 K C 2.093 178.606 176.600 -0.144 0.000 1.046 251 K CA 0.878 57.014 56.287 -0.251 0.000 0.945 251 K CB -0.337 31.993 32.500 -0.283 0.000 0.750 251 K HN 0.234 nan 8.250 nan 0.000 0.464 252 S N 0.265 115.879 115.700 -0.143 0.000 2.461 252 S HA -0.019 4.451 4.470 -0.000 0.000 0.228 252 S C 1.740 176.293 174.600 -0.078 0.000 1.005 252 S CA 0.532 58.671 58.200 -0.102 0.000 0.942 252 S CB 0.275 63.404 63.200 -0.119 0.000 0.776 252 S HN 0.017 nan 8.310 nan 0.000 0.514 253 V N -0.501 119.362 119.914 -0.085 0.000 3.604 253 V HA 0.328 4.448 4.120 -0.000 0.000 0.277 253 V C 0.420 176.519 176.094 0.009 0.000 1.399 253 V CA 0.118 62.411 62.300 -0.013 0.000 1.034 253 V CB 0.929 32.760 31.823 0.013 0.000 0.824 253 V HN 0.310 nan 8.190 nan 0.000 0.439 254 S N -0.559 115.120 115.700 -0.035 0.000 2.618 254 S HA 0.504 4.974 4.470 -0.000 0.000 0.277 254 S C -0.095 174.510 174.600 0.009 0.000 1.138 254 S CA -0.584 57.629 58.200 0.022 0.000 0.844 254 S CB 2.192 65.451 63.200 0.098 0.000 1.127 254 S HN 0.204 nan 8.310 nan 0.000 0.474 255 K N 0.724 121.153 120.400 0.048 0.000 2.355 255 K HA 0.246 4.566 4.320 -0.000 0.000 0.198 255 K C -0.050 176.595 176.600 0.075 0.000 1.039 255 K CA -0.340 55.973 56.287 0.042 0.000 1.075 255 K CB 0.267 32.792 32.500 0.041 0.000 0.870 255 K HN 0.331 nan 8.250 nan 0.000 0.540 256 K N 1.871 122.343 120.400 0.120 0.000 2.336 256 K HA 0.116 4.436 4.320 -0.000 0.000 0.262 256 K C -2.570 174.150 176.600 0.200 0.000 0.992 256 K CA -1.686 54.687 56.287 0.143 0.000 0.927 256 K CB -0.314 32.262 32.500 0.127 0.000 0.956 256 K HN -0.146 nan 8.250 nan 0.000 0.495 257 P HA 0.074 nan 4.420 nan 0.000 0.271 257 P C -0.802 176.786 177.300 0.480 0.000 1.216 257 P CA -0.155 63.171 63.100 0.376 0.000 0.776 257 P CB 0.583 32.557 31.700 0.457 0.000 0.881 258 V N 3.333 123.487 119.914 0.399 0.000 2.443 258 V HA 0.663 4.783 4.120 -0.000 0.000 0.293 258 V C 0.658 176.814 176.094 0.102 0.000 1.021 258 V CA -0.140 62.325 62.300 0.275 0.000 0.848 258 V CB 1.402 33.174 31.823 -0.085 0.000 0.998 258 V HN 0.777 nan 8.190 nan 0.000 0.424 259 G N 3.689 112.256 108.800 -0.389 0.000 3.217 259 G HA2 0.882 4.842 3.960 -0.000 0.000 0.213 259 G HA3 0.882 4.842 3.960 -0.000 0.000 0.213 259 G C -1.271 173.261 174.900 -0.614 0.000 1.294 259 G CA -0.626 43.822 45.100 -1.086 0.000 0.987 259 G HN 0.604 nan 8.290 nan 0.000 0.584 260 I N -0.873 119.263 120.570 -0.722 0.000 2.913 260 I HA 0.519 4.689 4.170 -0.000 0.000 0.302 260 I C -1.431 174.522 176.117 -0.274 0.000 1.246 260 I CA -1.147 59.949 61.300 -0.340 0.000 1.010 260 I CB 2.520 40.326 38.000 -0.324 0.000 1.259 260 I HN 0.307 nan 8.210 nan 0.000 0.434 261 I N 5.983 126.503 120.570 -0.083 0.000 2.362 261 I HA 0.323 4.493 4.170 -0.000 0.000 0.289 261 I C -1.426 174.750 176.117 0.098 0.000 0.994 261 I CA -0.571 60.747 61.300 0.029 0.000 1.158 261 I CB 1.532 39.562 38.000 0.049 0.000 1.315 261 I HN 0.416 nan 8.210 nan 0.000 0.451 262 Y N 4.774 125.078 120.300 0.007 0.000 2.468 262 Y HA 0.693 5.243 4.550 -0.000 0.000 0.342 262 Y C 0.006 175.928 175.900 0.038 0.000 1.021 262 Y CA -0.937 57.165 58.100 0.003 0.000 1.079 262 Y CB 1.973 40.548 38.460 0.190 0.000 1.226 262 Y HN 0.581 nan 8.280 nan 0.000 0.460 263 A N 5.412 128.026 122.820 -0.343 0.000 2.347 263 A HA 0.401 4.721 4.320 -0.000 0.000 0.287 263 A C -0.635 176.920 177.584 -0.049 0.000 1.199 263 A CA -0.455 51.472 52.037 -0.183 0.000 0.851 263 A CB -0.372 18.453 19.000 -0.290 0.000 1.118 263 A HN 0.782 nan 8.150 nan 0.000 0.525 264 N N 0.550 119.329 118.700 0.131 0.000 2.432 264 N HA 0.674 5.414 4.740 -0.000 0.000 0.292 264 N C -0.830 174.747 175.510 0.110 0.000 1.193 264 N CA -0.306 52.868 53.050 0.206 0.000 0.878 264 N CB 1.974 40.662 38.487 0.336 0.000 1.252 264 N HN 0.563 nan 8.380 nan 0.000 0.520 265 S N -0.809 114.908 115.700 0.028 0.000 2.537 265 S HA 0.316 4.786 4.470 -0.000 0.000 0.270 265 S C -1.389 173.058 174.600 -0.255 0.000 1.142 265 S CA -0.618 57.485 58.200 -0.160 0.000 0.870 265 S CB 1.137 64.055 63.200 -0.470 0.000 1.112 265 S HN 0.399 nan 8.310 nan 0.000 0.466 266 S N 3.302 118.972 115.700 -0.049 0.000 2.410 266 S HA 0.543 5.013 4.470 -0.000 0.000 0.304 266 S C -1.010 173.428 174.600 -0.270 0.000 1.095 266 S CA -0.472 57.700 58.200 -0.047 0.000 1.089 266 S CB -0.619 62.704 63.200 0.205 0.000 0.968 266 S HN 0.455 nan 8.310 nan 0.000 0.480 267 F N 4.541 124.471 119.950 -0.033 0.000 2.466 267 F HA 0.343 4.870 4.527 -0.000 0.000 0.363 267 F C 1.100 176.846 175.800 -0.091 0.000 1.109 267 F CA -0.179 57.767 58.000 -0.092 0.000 1.161 267 F CB 0.662 39.574 39.000 -0.148 0.000 1.117 267 F HN 0.385 nan 8.300 nan 0.000 0.539 268 Q N 5.661 125.450 119.800 -0.018 0.000 2.309 268 Q HA 0.362 4.702 4.340 -0.000 0.000 0.264 268 Q C -2.551 173.406 176.000 -0.072 0.000 1.008 268 Q CA -2.289 53.475 55.803 -0.065 0.000 0.853 268 Q CB 2.061 30.674 28.738 -0.209 0.000 1.314 268 Q HN 0.282 nan 8.270 nan 0.000 0.448 269 P HA 0.039 nan 4.420 nan 0.000 0.282 269 P C 0.540 177.790 177.300 -0.083 0.000 1.262 269 P CA -0.364 62.708 63.100 -0.047 0.000 0.773 269 P CB 1.076 32.766 31.700 -0.016 0.000 0.879 270 L N 3.787 124.952 121.223 -0.095 0.000 2.042 270 L HA -0.023 4.317 4.340 -0.000 0.000 0.210 270 L C 0.623 177.463 176.870 -0.050 0.000 1.076 270 L CA 2.377 57.147 54.840 -0.118 0.000 0.749 270 L CB -0.766 41.248 42.059 -0.075 0.000 0.893 270 L HN 0.353 nan 8.230 nan 0.000 0.432 271 T N -1.362 113.180 114.554 -0.020 0.000 2.916 271 T HA 0.250 4.600 4.350 -0.000 0.000 0.292 271 T C 0.220 174.923 174.700 0.005 0.000 1.064 271 T CA 0.172 62.273 62.100 0.001 0.000 1.011 271 T CB 1.638 70.513 68.868 0.011 0.000 1.152 271 T HN 0.263 nan 8.240 nan 0.000 0.510 272 D N 0.148 120.556 120.400 0.013 0.000 2.378 272 D HA -0.093 4.547 4.640 -0.000 0.000 0.222 272 D C 1.040 177.348 176.300 0.013 0.000 0.980 272 D CA 0.600 54.609 54.000 0.015 0.000 0.907 272 D CB -0.144 40.667 40.800 0.020 0.000 0.899 272 D HN 0.626 nan 8.370 nan 0.000 0.527 273 K N -0.255 120.152 120.400 0.012 0.000 2.576 273 K HA 0.176 4.496 4.320 -0.000 0.000 0.209 273 K C -0.129 176.478 176.600 0.010 0.000 1.049 273 K CA -0.347 55.947 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 -0.115 nan 8.250 nan 0.000 0.479 274 D N 0.880 121.284 120.400 0.006 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 -0.008 0.000 1.238 274 D CA -0.026 53.976 54.000 0.002 0.000 0.824 274 D CB 0.599 41.399 40.800 -0.001 0.000 1.045 274 D HN 0.153 nan 8.370 nan 0.000 0.500 275 M N 0.344 119.942 119.600 -0.004 0.000 2.149 275 M HA -0.124 4.356 4.480 -0.000 0.000 0.261 275 M C 1.918 178.206 176.300 -0.020 0.000 1.064 275 M CA 1.315 56.611 55.300 -0.006 0.000 1.102 275 M CB -0.672 31.931 32.600 0.004 0.000 1.369 275 M HN 0.109 nan 8.290 nan 0.000 0.408 276 E N -0.150 120.041 120.200 -0.016 0.000 2.208 276 E HA -0.061 4.289 4.350 -0.000 0.000 0.193 276 E C 1.960 178.528 176.600 -0.052 0.000 0.988 276 E CA 0.846 57.233 56.400 -0.021 0.000 0.828 276 E CB 0.183 29.882 29.700 -0.003 0.000 0.763 276 E HN 0.458 nan 8.360 nan 0.000 0.478 277 A N 0.355 123.142 122.820 -0.054 0.000 1.930 277 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 277 A C 2.333 179.730 177.584 -0.313 0.000 1.175 277 A CA 0.945 52.915 52.037 -0.112 0.000 0.627 277 A CB -0.461 18.530 19.000 -0.015 0.000 0.815 277 A HN 0.165 nan 8.150 nan 0.000 0.443 278 V N 0.216 120.016 119.914 -0.190 0.000 2.261 278 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 278 V C 2.428 178.365 176.094 -0.262 0.000 1.047 278 V CA 2.388 64.573 62.300 -0.191 0.000 1.015 278 V CB -0.911 30.882 31.823 -0.050 0.000 0.642 278 V HN 0.647 nan 8.190 nan 0.000 0.446 279 E N -0.381 119.728 120.200 -0.151 0.000 2.085 279 E HA -0.269 4.081 4.350 -0.000 0.000 0.194 279 E C 2.228 178.726 176.600 -0.169 0.000 0.994 279 E CA 1.739 58.082 56.400 -0.095 0.000 0.801 279 E CB -0.264 29.424 29.700 -0.021 0.000 0.743 279 E HN 0.550 nan 8.360 nan 0.000 0.453 280 M N 0.380 119.842 119.600 -0.231 0.000 2.086 280 M HA -0.175 4.305 4.480 -0.000 0.000 0.261 280 M C 2.546 178.569 176.300 -0.462 0.000 1.067 280 M CA 1.556 56.723 55.300 -0.222 0.000 1.116 280 M CB -0.309 32.234 32.600 -0.094 0.000 1.348 280 M HN 0.133 nan 8.290 nan 0.000 0.407 281 A N 0.378 122.600 122.820 -0.998 0.000 1.902 281 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 281 A C 1.933 178.881 177.584 -1.060 0.000 1.181 281 A CA 1.797 53.068 52.037 -1.276 0.000 0.623 281 A CB -0.732 17.286 19.000 -1.637 0.000 0.818 281 A HN 0.552 nan 8.150 nan 0.000 0.443 282 E N -0.096 119.599 120.200 -0.842 0.000 2.153 282 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 282 E C 1.671 177.954 176.600 -0.529 0.000 0.988 282 E CA 1.042 57.019 56.400 -0.704 0.000 0.811 282 E CB -0.187 29.195 29.700 -0.530 0.000 0.746 282 E HN 0.559 nan 8.360 nan 0.000 0.466 283 N N 1.109 119.699 118.700 -0.183 0.000 2.171 283 N HA -0.115 4.625 4.740 -0.000 0.000 0.184 283 N C 1.264 176.893 175.510 0.199 0.000 1.021 283 N CA 1.062 54.189 53.050 0.128 0.000 0.854 283 N CB -0.154 38.428 38.487 0.159 0.000 0.994 283 N HN 0.147 nan 8.380 nan 0.000 0.426 284 D N 0.346 120.772 120.400 0.043 0.000 2.269 284 D HA 0.002 4.642 4.640 -0.000 0.000 0.208 284 D C 1.048 177.471 176.300 0.204 0.000 0.963 284 D CA 0.675 54.701 54.000 0.044 0.000 0.864 284 D CB -0.063 40.735 40.800 -0.003 0.000 0.936 284 D HN 0.307 nan 8.370 nan 0.000 0.505 285 N N -0.445 118.358 118.700 0.172 0.000 2.332 285 N HA 0.097 4.837 4.740 -0.000 0.000 0.190 285 N C 1.448 177.196 175.510 0.397 0.000 1.117 285 N CA -0.004 53.233 53.050 0.312 0.000 0.883 285 N CB 1.636 40.236 38.487 0.188 0.000 1.089 285 N HN 0.087 nan 8.380 nan 0.000 0.480 286 R N -0.276 120.303 120.500 0.133 0.000 3.199 286 R HA 0.167 4.507 4.340 -0.000 0.000 0.158 286 R C 1.475 177.843 176.300 0.114 0.000 1.302 286 R CA -0.082 55.975 56.100 -0.072 0.000 1.139 286 R CB -0.187 29.680 30.300 -0.721 0.000 1.304 286 R HN 0.028 nan 8.270 nan 0.000 0.483 287 W N 2.042 123.441 121.300 0.166 0.000 2.321 287 W HA -0.297 4.362 4.660 -0.000 0.000 0.306 287 W C 2.159 178.788 176.519 0.183 0.000 1.217 287 W CA 0.640 58.100 57.345 0.191 0.000 1.257 287 W CB -0.531 28.994 29.460 0.110 0.000 1.145 287 W HN 0.463 nan 8.180 nan 0.000 0.509 288 W N 0.398 121.909 121.300 0.352 0.000 2.318 288 W HA -0.284 4.376 4.660 0.000 0.000 0.313 288 W C 1.930 178.552 176.519 0.170 0.000 1.221 288 W CA 1.234 58.708 57.345 0.215 0.000 1.266 288 W CB -1.992 27.557 29.460 0.149 0.000 1.150 288 W HN 0.027 nan 8.180 nan 0.000 0.496 289 F N 0.905 119.995 119.950 -1.434 0.000 2.113 289 F HA -0.090 4.437 4.527 -0.000 0.000 0.297 289 F C 2.288 177.566 175.800 -0.870 0.000 1.103 289 F CA 2.081 59.148 58.000 -1.556 0.000 1.248 289 F CB -0.996 37.037 39.000 -1.612 0.000 0.999 289 F HN -0.267 nan 8.300 nan 0.000 0.475 290 F N 0.592 120.396 119.950 -0.245 0.000 2.259 290 F HA -0.124 4.403 4.527 -0.000 0.000 0.298 290 F C 2.182 177.807 175.800 -0.292 0.000 1.088 290 F CA 1.198 59.039 58.000 -0.265 0.000 1.358 290 F CB -0.675 38.257 39.000 -0.113 0.000 1.040 290 F HN -0.063 nan 8.300 nan 0.000 0.505 291 D N 0.060 120.511 120.400 0.085 0.000 2.264 291 D HA -0.100 4.540 4.640 -0.000 0.000 0.208 291 D C 2.252 178.494 176.300 -0.096 0.000 0.966 291 D CA 1.093 55.135 54.000 0.070 0.000 0.864 291 D CB -0.308 40.586 40.800 0.155 0.000 0.933 291 D HN 0.255 nan 8.370 nan 0.000 0.499 292 A N 1.103 123.781 122.820 -0.236 0.000 1.854 292 A HA -0.076 4.244 4.320 -0.000 0.000 0.214 292 A C 2.207 179.577 177.584 -0.357 0.000 1.192 292 A CA 1.009 52.866 52.037 -0.300 0.000 0.611 292 A CB -0.645 18.092 19.000 -0.438 0.000 0.832 292 A HN 0.371 nan 8.150 nan 0.000 0.442 293 I N -3.729 116.536 120.570 -0.509 0.000 3.428 293 I HA 0.155 4.325 4.170 -0.000 0.000 0.286 293 I C 1.606 177.531 176.117 -0.320 0.000 1.287 293 I CA 0.740 61.788 61.300 -0.421 0.000 1.396 293 I CB -0.061 37.622 38.000 -0.528 0.000 1.062 293 I HN 0.222 nan 8.210 nan 0.000 0.471 294 I N 0.496 120.889 120.570 -0.295 0.000 3.132 294 I HA 0.098 4.268 4.170 -0.000 0.000 0.255 294 I C 2.204 178.233 176.117 -0.147 0.000 1.118 294 I CA 0.029 61.185 61.300 -0.239 0.000 1.463 294 I CB -0.153 37.640 38.000 -0.345 0.000 1.356 294 I HN 0.003 nan 8.210 nan 0.000 0.463 295 R N 1.301 121.739 120.500 -0.102 0.000 2.275 295 R HA 0.170 4.510 4.340 -0.000 0.000 0.199 295 R C 1.378 177.637 176.300 -0.068 0.000 0.989 295 R CA 0.867 56.938 56.100 -0.049 0.000 1.016 295 R CB -0.217 30.085 30.300 0.003 0.000 0.918 295 R HN 0.552 nan 8.270 nan 0.000 0.473 296 G N 1.749 110.485 108.800 -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 -0.288 174.572 174.900 -0.067 0.000 0.975 296 G CA 0.344 45.382 45.100 -0.103 0.000 0.644 296 G HN 0.452 nan 8.290 nan 0.000 0.537 297 E N 0.045 120.217 120.200 -0.046 0.000 2.180 297 E HA 0.646 4.996 4.350 -0.000 0.000 0.283 297 E C 0.188 176.796 176.600 0.013 0.000 1.061 297 E CA -0.112 56.286 56.400 -0.004 0.000 0.861 297 E CB 1.578 31.289 29.700 0.018 0.000 1.056 297 E HN 0.495 nan 8.360 nan 0.000 0.407 298 I N 1.481 122.075 120.570 0.039 0.000 3.191 298 I HA 0.372 4.542 4.170 -0.000 0.000 0.313 298 I C -1.185 175.009 176.117 0.129 0.000 1.193 298 I CA -0.626 60.731 61.300 0.095 0.000 0.968 298 I CB 2.763 40.801 38.000 0.064 0.000 1.262 298 I HN 0.390 nan 8.210 nan 0.000 0.456 299 T N 3.414 118.075 114.554 0.179 0.000 2.930 299 T HA 0.547 4.897 4.350 -0.000 0.000 0.313 299 T C -1.177 173.585 174.700 0.103 0.000 1.019 299 T CA -0.685 61.484 62.100 0.114 0.000 1.004 299 T CB 0.193 69.101 68.868 0.066 0.000 0.987 299 T HN 0.627 nan 8.240 nan 0.000 0.456 300 R N 3.728 124.255 120.500 0.044 0.000 2.265 300 R HA 0.815 5.155 4.340 -0.000 0.000 0.328 300 R C 1.103 177.309 176.300 -0.158 0.000 0.969 300 R CA 0.176 56.170 56.100 -0.176 0.000 0.832 300 R CB 0.920 31.088 30.300 -0.220 0.000 1.139 300 R HN 0.887 nan 8.270 nan 0.000 0.457 301 G N 2.989 111.674 108.800 -0.191 0.000 2.728 301 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.269 301 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.269 301 G C -0.100 174.745 174.900 -0.091 0.000 1.334 301 G CA 0.316 45.336 45.100 -0.134 0.000 0.974 301 G HN 0.618 nan 8.290 nan 0.000 0.550 302 N N 2.075 120.736 118.700 -0.066 0.000 2.466 302 N HA 0.459 5.199 4.740 -0.000 0.000 0.272 302 N C -1.233 174.258 175.510 -0.033 0.000 1.455 302 N CA 0.126 53.146 53.050 -0.050 0.000 0.875 302 N CB 1.167 39.625 38.487 -0.048 0.000 1.372 302 N HN 0.566 nan 8.380 nan 0.000 0.492 303 E N -0.096 120.089 120.200 -0.026 0.000 2.266 303 E HA 0.344 4.694 4.350 -0.000 0.000 0.268 303 E C -0.649 175.954 176.600 0.005 0.000 0.879 303 E CA -0.937 55.456 56.400 -0.011 0.000 0.762 303 E CB 1.528 31.221 29.700 -0.012 0.000 1.199 303 E HN -0.191 nan 8.360 nan 0.000 0.422 304 K N 3.714 124.120 120.400 0.010 0.000 2.206 304 K HA 0.222 4.542 4.320 -0.000 0.000 0.268 304 K C -0.744 175.870 176.600 0.023 0.000 1.111 304 K CA -0.272 56.029 56.287 0.024 0.000 0.955 304 K CB -0.363 32.151 32.500 0.022 0.000 1.406 304 K HN 0.478 nan 8.250 nan 0.000 0.427 305 I N 2.395 122.985 120.570 0.033 0.000 3.244 305 I HA 0.346 4.516 4.170 -0.000 0.000 0.314 305 I C -0.058 176.072 176.117 0.021 0.000 1.043 305 I CA -1.221 60.095 61.300 0.027 0.000 1.099 305 I CB 1.156 39.179 38.000 0.039 0.000 1.449 305 I HN 0.125 nan 8.210 nan 0.000 0.625 306 V N 2.964 122.884 119.914 0.010 0.000 2.498 306 V HA 0.315 4.434 4.120 -0.000 0.000 0.283 306 V C -0.171 175.916 176.094 -0.012 0.000 1.015 306 V CA -0.705 61.592 62.300 -0.005 0.000 0.867 306 V CB 1.321 33.139 31.823 -0.009 0.000 1.025 306 V HN 0.594 nan 8.190 nan 0.000 0.441 307 R N 2.602 123.089 120.500 -0.022 0.000 2.234 307 R HA 0.314 4.654 4.340 -0.000 0.000 0.324 307 R C 0.383 176.656 176.300 -0.046 0.000 1.054 307 R CA -0.515 55.568 56.100 -0.028 0.000 0.912 307 R CB 1.160 31.439 30.300 -0.034 0.000 1.030 307 R HN 0.582 nan 8.270 nan 0.000 0.455 308 D N 1.925 122.303 120.400 -0.036 0.000 2.264 308 D HA -0.164 4.475 4.640 -0.000 0.000 0.208 308 D C 1.059 177.327 176.300 -0.053 0.000 0.966 308 D CA 1.259 55.234 54.000 -0.041 0.000 0.864 308 D CB 0.161 40.944 40.800 -0.027 0.000 0.933 308 D HN 0.641 nan 8.370 nan 0.000 0.499 309 D N 0.277 120.647 120.400 -0.051 0.000 2.363 309 D HA -0.100 4.540 4.640 -0.000 0.000 0.220 309 D C 1.904 178.146 176.300 -0.096 0.000 0.994 309 D CA 0.250 54.215 54.000 -0.057 0.000 0.890 309 D CB -0.084 40.694 40.800 -0.037 0.000 0.906 309 D HN 0.285 nan 8.370 nan 0.000 0.530 310 L N -0.543 120.611 121.223 -0.116 0.000 2.537 310 L HA 0.144 4.484 4.340 -0.000 0.000 0.224 310 L C 1.333 178.092 176.870 -0.185 0.000 1.065 310 L CA -0.345 54.396 54.840 -0.165 0.000 0.860 310 L CB 0.083 42.036 42.059 -0.176 0.000 1.086 310 L HN -0.190 nan 8.230 nan 0.000 0.482 311 K N 1.092 121.407 120.400 -0.142 0.000 2.489 311 K HA 0.106 4.426 4.320 -0.000 0.000 0.278 311 K C 1.012 177.513 176.600 -0.164 0.000 1.000 311 K CA 0.947 57.153 56.287 -0.135 0.000 1.012 311 K CB 0.354 32.801 32.500 -0.088 0.000 0.903 311 K HN 0.224 nan 8.250 nan 0.000 0.485 312 G N 3.338 112.034 108.800 -0.174 0.000 2.203 312 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.263 312 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.263 312 G C 0.005 174.688 174.900 -0.362 0.000 1.012 312 G CA 0.385 45.371 45.100 -0.189 0.000 0.749 312 G HN 0.603 nan 8.290 nan 0.000 0.512 313 R N -0.737 119.451 120.500 -0.519 0.000 4.518 313 R HA 0.682 5.022 4.340 -0.000 0.000 0.243 313 R C -0.241 175.523 176.300 -0.893 0.000 1.720 313 R CA -0.185 55.242 56.100 -1.123 0.000 1.526 313 R CB 0.003 29.811 30.300 -0.820 0.000 1.425 313 R HN 0.425 nan 8.270 nan 0.000 0.787 314 L N -0.497 120.416 121.223 -0.516 0.000 2.705 314 L HA 0.290 4.630 4.340 -0.000 0.000 0.260 314 L C -0.716 176.193 176.870 0.065 0.000 0.921 314 L CA 0.014 54.801 54.840 -0.088 0.000 0.948 314 L CB 2.163 44.146 42.059 -0.127 0.000 1.427 314 L HN 0.134 nan 8.230 nan 0.000 0.432 315 D N 3.190 123.696 120.400 0.176 0.000 2.422 315 D HA 0.164 4.804 4.640 -0.000 0.000 0.218 315 D C -0.508 175.858 176.300 0.109 0.000 1.047 315 D CA 0.883 55.022 54.000 0.232 0.000 0.885 315 D CB 0.565 41.608 40.800 0.406 0.000 1.035 315 D HN 0.494 nan 8.370 nan 0.000 0.502 316 W N 0.303 121.488 121.300 -0.191 0.000 3.066 316 W HA 0.535 5.196 4.660 0.000 0.000 0.330 316 W C -2.060 174.335 176.519 -0.208 0.000 1.253 316 W CA -0.954 56.102 57.345 -0.481 0.000 1.187 316 W CB 0.272 29.150 29.460 -0.970 0.000 1.434 316 W HN -0.407 nan 8.180 nan 0.000 0.572 317 I N 2.160 122.730 120.570 -0.000 0.000 2.406 317 I HA 0.477 4.647 4.170 -0.000 0.000 0.290 317 I C 0.671 176.864 176.117 0.127 0.000 0.999 317 I CA -0.751 60.462 61.300 -0.145 0.000 1.124 317 I CB 1.958 39.691 38.000 -0.444 0.000 1.289 317 I HN 0.600 nan 8.210 nan 0.000 0.441 318 G N 5.924 114.756 108.800 0.053 0.000 2.327 318 G HA2 0.488 4.448 3.960 -0.000 0.000 0.302 318 G HA3 0.488 4.448 3.960 -0.000 0.000 0.302 318 G C -0.531 174.463 174.900 0.156 0.000 1.113 318 G CA -0.257 45.032 45.100 0.315 0.000 0.921 318 G HN 0.350 nan 8.290 nan 0.000 0.425 319 V N 3.770 123.786 119.914 0.171 0.000 2.364 319 V HA 0.218 4.338 4.120 -0.000 0.000 0.272 319 V C -0.455 175.743 176.094 0.174 0.000 1.036 319 V CA -0.989 61.410 62.300 0.165 0.000 0.880 319 V CB 1.120 33.047 31.823 0.173 0.000 0.991 319 V HN 0.622 nan 8.190 nan 0.000 0.460 320 N N 4.223 123.024 118.700 0.169 0.000 2.501 320 N HA 0.402 5.142 4.740 -0.000 0.000 0.245 320 N C -1.154 174.421 175.510 0.108 0.000 0.974 320 N CA -0.304 52.800 53.050 0.089 0.000 0.941 320 N CB 1.127 39.666 38.487 0.087 0.000 1.122 320 N HN 0.705 nan 8.380 nan 0.000 0.507 321 Y N 2.054 122.270 120.300 -0.140 0.000 2.425 321 Y HA 0.384 4.934 4.550 -0.000 0.000 0.344 321 Y C -0.658 175.069 175.900 -0.288 0.000 0.969 321 Y CA -0.535 57.518 58.100 -0.078 0.000 1.052 321 Y CB 0.907 39.400 38.460 0.056 0.000 1.215 321 Y HN 0.512 nan 8.280 nan 0.000 0.451 322 Y N 1.707 121.562 120.300 -0.742 0.000 2.723 322 Y HA 0.322 4.872 4.550 -0.000 0.000 0.272 322 Y C 0.846 176.406 175.900 -0.567 0.000 1.142 322 Y CA 0.636 58.514 58.100 -0.370 0.000 1.217 322 Y CB 1.086 39.455 38.460 -0.153 0.000 1.391 322 Y HN 0.624 nan 8.280 nan 0.000 0.479 323 T N -0.478 113.578 114.554 -0.830 0.000 2.661 323 T HA 0.347 4.697 4.350 -0.000 0.000 0.305 323 T C -1.415 173.103 174.700 -0.303 0.000 1.441 323 T CA -0.952 60.891 62.100 -0.428 0.000 0.999 323 T CB 1.079 69.741 68.868 -0.344 0.000 1.650 323 T HN 0.154 nan 8.240 nan 0.000 0.489 324 R N 0.299 120.737 120.500 -0.103 0.000 2.517 324 R HA 0.746 5.086 4.340 -0.000 0.000 0.250 324 R C -1.126 175.006 176.300 -0.279 0.000 1.213 324 R CA -0.344 55.640 56.100 -0.194 0.000 1.146 324 R CB 0.326 30.299 30.300 -0.546 0.000 1.279 324 R HN 0.565 nan 8.270 nan 0.000 0.597 325 T N 0.872 115.230 114.554 -0.325 0.000 3.170 325 T HA 0.246 4.596 4.350 -0.000 0.000 0.315 325 T C -0.994 173.621 174.700 -0.142 0.000 0.967 325 T CA -0.606 61.362 62.100 -0.219 0.000 1.024 325 T CB 1.480 70.150 68.868 -0.329 0.000 1.018 325 T HN 0.374 nan 8.240 nan 0.000 0.449 326 V N 4.566 124.401 119.914 -0.131 0.000 2.498 326 V HA 0.660 4.780 4.120 -0.000 0.000 0.279 326 V C 0.464 176.532 176.094 -0.043 0.000 1.048 326 V CA -0.478 61.698 62.300 -0.207 0.000 0.967 326 V CB 1.185 32.647 31.823 -0.602 0.000 0.988 326 V HN 0.750 nan 8.190 nan 0.000 0.473 327 V N 2.551 122.457 119.914 -0.013 0.000 3.001 327 V HA 0.852 4.972 4.120 -0.000 0.000 0.314 327 V C -0.737 175.379 176.094 0.037 0.000 1.099 327 V CA -1.052 61.291 62.300 0.071 0.000 0.989 327 V CB 2.062 33.942 31.823 0.096 0.000 1.040 327 V HN 0.961 nan 8.190 nan 0.000 0.434 328 K N 1.468 121.920 120.400 0.088 0.000 2.426 328 K HA 0.651 4.971 4.320 -0.000 0.000 0.251 328 K C -0.853 175.807 176.600 0.099 0.000 0.941 328 K CA -1.007 55.319 56.287 0.065 0.000 0.808 328 K CB 2.541 35.074 32.500 0.055 0.000 1.265 328 K HN 0.614 nan 8.250 nan 0.000 0.432 329 R N 1.510 122.052 120.500 0.071 0.000 2.490 329 R HA 0.166 4.506 4.340 -0.000 0.000 0.280 329 R C -0.749 175.585 176.300 0.056 0.000 1.077 329 R CA 0.220 56.367 56.100 0.078 0.000 1.065 329 R CB 0.718 31.048 30.300 0.049 0.000 1.003 329 R HN 0.935 nan 8.270 nan 0.000 0.470 330 T N 0.753 115.335 114.554 0.048 0.000 3.305 330 T HA 0.350 4.700 4.350 -0.000 0.000 0.348 330 T C 0.909 175.613 174.700 0.007 0.000 1.394 330 T CA -0.050 62.062 62.100 0.019 0.000 1.549 330 T CB 0.876 69.745 68.868 0.002 0.000 0.962 330 T HN 0.706 nan 8.240 nan 0.000 0.609 331 G N 4.475 113.282 108.800 0.011 0.000 3.133 331 G HA2 -0.444 3.516 3.960 -0.000 0.000 0.357 331 G HA3 -0.444 3.516 3.960 -0.000 0.000 0.357 331 G C 1.243 176.144 174.900 0.002 0.000 1.229 331 G CA 1.016 46.119 45.100 0.005 0.000 1.018 331 G HN 0.716 nan 8.290 nan 0.000 0.635 332 K N 1.309 121.702 120.400 -0.012 0.000 1.970 332 K HA -0.038 4.282 4.320 -0.000 0.000 0.225 332 K C 2.262 178.854 176.600 -0.014 0.000 1.045 332 K CA 2.141 58.416 56.287 -0.021 0.000 1.002 332 K CB -1.174 31.301 32.500 -0.041 0.000 0.743 332 K HN 0.625 nan 8.250 nan 0.000 0.445 333 G N -1.403 107.371 108.800 -0.045 0.000 3.434 333 G HA2 0.347 4.307 3.960 -0.000 0.000 0.192 333 G HA3 0.347 4.307 3.960 -0.000 0.000 0.192 333 G C -0.326 174.604 174.900 0.050 0.000 1.704 333 G CA 0.475 45.555 45.100 -0.034 0.000 0.936 333 G HN 0.440 nan 8.290 nan 0.000 0.623 334 Y N -3.215 117.058 120.300 -0.046 0.000 2.705 334 Y HA 0.765 5.315 4.550 0.000 0.000 0.332 334 Y C -1.248 174.636 175.900 -0.027 0.000 1.221 334 Y CA -1.564 56.515 58.100 -0.035 0.000 1.059 334 Y CB 1.361 39.792 38.460 -0.049 0.000 1.298 334 Y HN 0.433 nan 8.280 nan 0.000 0.459 335 V N 1.144 121.142 119.914 0.141 0.000 2.888 335 V HA 0.476 4.596 4.120 -0.000 0.000 0.309 335 V C -0.651 175.555 176.094 0.188 0.000 1.114 335 V CA -0.918 61.421 62.300 0.066 0.000 0.940 335 V CB 2.169 34.004 31.823 0.021 0.000 1.021 335 V HN 0.921 nan 8.190 nan 0.000 0.426 336 S N 4.217 120.018 115.700 0.169 0.000 2.584 336 S HA 0.668 5.138 4.470 -0.000 0.000 0.273 336 S C -0.428 174.253 174.600 0.134 0.000 1.311 336 S CA -0.413 57.892 58.200 0.175 0.000 1.034 336 S CB 0.662 63.963 63.200 0.168 0.000 0.939 336 S HN 0.471 nan 8.310 nan 0.000 0.513 337 L N 2.026 123.341 121.223 0.154 0.000 2.322 337 L HA 0.549 4.889 4.340 -0.000 0.000 0.281 337 L C 0.973 177.982 176.870 0.232 0.000 1.014 337 L CA -0.828 54.133 54.840 0.202 0.000 0.815 337 L CB 1.296 43.520 42.059 0.275 0.000 1.247 337 L HN 0.753 nan 8.230 nan 0.000 0.421 338 G N 0.332 109.221 108.800 0.148 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 0.850 175.765 174.900 0.026 0.000 1.206 338 G CA 0.436 45.591 45.100 0.092 0.000 0.861 338 G HN 1.017 nan 8.290 nan 0.000 0.561 339 G N -1.331 107.441 108.800 -0.047 0.000 2.157 339 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.248 339 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.248 339 G C -0.062 174.570 174.900 -0.446 0.000 0.979 339 G CA 0.866 45.819 45.100 -0.244 0.000 0.650 339 G HN 0.858 nan 8.290 nan 0.000 0.529 340 Y N -1.195 119.120 120.300 0.026 0.000 2.615 340 Y HA 0.569 5.119 4.550 -0.000 0.000 0.341 340 Y C 1.330 177.215 175.900 -0.025 0.000 1.089 340 Y CA 0.136 58.233 58.100 -0.005 0.000 1.049 340 Y CB 1.072 39.510 38.460 -0.036 0.000 1.296 340 Y HN 1.100 nan 8.280 nan 0.000 0.470 341 G N 0.720 109.584 108.800 0.107 0.000 2.685 341 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.329 341 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.329 341 G C 0.759 175.587 174.900 -0.120 0.000 1.271 341 G CA 1.359 46.416 45.100 -0.072 0.000 1.003 341 G HN 0.908 nan 8.290 nan 0.000 0.549 342 H N 1.234 120.203 119.070 -0.169 0.000 2.529 342 H HA 0.320 4.876 4.556 -0.000 0.000 0.277 342 H C 2.274 177.606 175.328 0.007 0.000 0.999 342 H CA 0.992 56.875 56.048 -0.275 0.000 1.256 342 H CB 0.044 29.491 29.762 -0.524 0.000 1.402 342 H HN 0.614 nan 8.280 nan 0.000 0.566 343 G N -0.123 108.757 108.800 0.134 0.000 3.943 343 G HA2 0.282 4.242 3.960 -0.000 0.000 0.275 343 G HA3 0.282 4.242 3.960 -0.000 0.000 0.275 343 G C -0.468 174.496 174.900 0.107 0.000 1.234 343 G CA -0.247 44.928 45.100 0.125 0.000 1.522 343 G HN 0.219 nan 8.290 nan 0.000 0.636 344 C N -0.454 118.930 119.300 0.141 0.000 2.564 344 C HA 0.591 5.051 4.460 -0.000 0.000 0.381 344 C C 0.280 175.334 174.990 0.106 0.000 1.297 344 C CA -1.083 57.991 59.018 0.093 0.000 1.846 344 C CB 2.007 29.805 27.740 0.096 0.000 2.198 344 C HN 0.432 nan 8.230 nan 0.000 0.507 345 E N 0.894 121.133 120.200 0.065 0.000 2.366 345 E HA 0.207 4.557 4.350 -0.000 0.000 0.266 345 E C -0.241 176.403 176.600 0.074 0.000 1.051 345 E CA 0.060 56.497 56.400 0.062 0.000 0.884 345 E CB 0.521 30.240 29.700 0.032 0.000 1.006 345 E HN 0.447 nan 8.360 nan 0.000 0.417 346 R N 1.491 122.034 120.500 0.072 0.000 2.490 346 R HA 0.087 4.427 4.340 -0.000 0.000 0.280 346 R C -0.069 176.253 176.300 0.037 0.000 1.077 346 R CA -0.181 55.955 56.100 0.059 0.000 1.065 346 R CB -0.016 30.312 30.300 0.047 0.000 1.003 346 R HN 0.558 nan 8.270 nan 0.000 0.470 347 N N 0.223 118.942 118.700 0.032 0.000 2.667 347 N HA -0.249 4.491 4.740 -0.000 0.000 0.263 347 N C -0.756 174.763 175.510 0.015 0.000 1.038 347 N CA 1.054 54.123 53.050 0.031 0.000 0.749 347 N CB -0.420 38.088 38.487 0.034 0.000 0.892 347 N HN 0.589 nan 8.380 nan 0.000 0.546 348 S N -1.392 114.306 115.700 -0.004 0.000 3.939 348 S HA 0.788 5.258 4.470 -0.000 0.000 0.302 348 S C -1.355 173.168 174.600 -0.129 0.000 1.108 348 S CA -0.371 57.792 58.200 -0.061 0.000 1.225 348 S CB 1.465 64.647 63.200 -0.030 0.000 1.467 348 S HN 0.044 nan 8.310 nan 0.000 0.735 349 V N 1.932 121.740 119.914 -0.175 0.000 3.007 349 V HA 0.665 4.785 4.120 -0.000 0.000 0.311 349 V C 0.021 176.062 176.094 -0.089 0.000 1.120 349 V CA -0.211 61.978 62.300 -0.185 0.000 0.980 349 V CB 2.078 33.639 31.823 -0.437 0.000 1.033 349 V HN 1.060 nan 8.190 nan 0.000 0.429 350 S N 3.622 119.298 115.700 -0.039 0.000 2.661 350 S HA 0.428 4.898 4.470 -0.000 0.000 0.265 350 S C 1.004 175.530 174.600 -0.124 0.000 1.225 350 S CA -0.472 57.686 58.200 -0.071 0.000 0.986 350 S CB 0.566 63.769 63.200 0.006 0.000 1.008 350 S HN 0.567 nan 8.310 nan 0.000 0.565 351 L N 0.137 121.169 121.223 -0.318 0.000 2.353 351 L HA -0.005 4.335 4.340 -0.000 0.000 0.220 351 L C 2.467 179.310 176.870 -0.046 0.000 1.133 351 L CA 1.139 55.813 54.840 -0.277 0.000 0.798 351 L CB -0.767 40.933 42.059 -0.599 0.000 0.922 351 L HN 0.905 nan 8.230 nan 0.000 0.445 352 A N -0.840 122.016 122.820 0.060 0.000 2.308 352 A HA 0.381 4.701 4.320 -0.000 0.000 0.217 352 A C 1.678 179.340 177.584 0.131 0.000 1.216 352 A CA 0.607 52.758 52.037 0.189 0.000 0.864 352 A CB -0.023 19.164 19.000 0.311 0.000 0.902 352 A HN 0.446 nan 8.150 nan 0.000 0.499 353 G N -1.021 107.826 108.800 0.079 0.000 2.141 353 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.242 353 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.242 353 G C -0.018 174.915 174.900 0.056 0.000 0.982 353 G CA 0.289 45.431 45.100 0.069 0.000 0.662 353 G HN 0.431 nan 8.290 nan 0.000 0.527 354 L N 2.030 123.306 121.223 0.088 0.000 2.307 354 L HA 0.470 4.810 4.340 -0.000 0.000 0.282 354 L C -1.454 175.460 176.870 0.072 0.000 1.051 354 L CA -2.426 52.482 54.840 0.113 0.000 0.804 354 L CB 1.342 43.555 42.059 0.257 0.000 1.197 354 L HN -0.070 nan 8.230 nan 0.000 0.431 355 P HA 0.034 nan 4.420 nan 0.000 0.268 355 P C -0.640 176.747 177.300 0.145 0.000 1.205 355 P CA -0.146 62.964 63.100 0.017 0.000 0.771 355 P CB 0.694 32.359 31.700 -0.058 0.000 0.858 356 T N -1.062 113.557 114.554 0.108 0.000 2.918 356 T HA 0.507 4.857 4.350 -0.000 0.000 0.286 356 T C 0.530 175.311 174.700 0.135 0.000 1.026 356 T CA -0.647 61.550 62.100 0.162 0.000 1.031 356 T CB 0.904 69.846 68.868 0.124 0.000 1.046 356 T HN 0.458 nan 8.240 nan 0.000 0.479 357 S N 1.303 117.088 115.700 0.142 0.000 2.640 357 S HA 0.206 4.676 4.470 -0.000 0.000 0.262 357 S C 0.488 175.070 174.600 -0.030 0.000 1.232 357 S CA -0.407 57.814 58.200 0.035 0.000 0.988 357 S CB -0.015 63.155 63.200 -0.049 0.000 1.034 357 S HN 0.687 nan 8.310 nan 0.000 0.569 358 D N -0.365 119.963 120.400 -0.120 0.000 2.310 358 D HA 0.032 4.672 4.640 -0.000 0.000 0.212 358 D C 0.829 177.041 176.300 -0.147 0.000 0.965 358 D CA 0.772 54.688 54.000 -0.139 0.000 0.879 358 D CB -0.307 40.364 40.800 -0.215 0.000 0.921 358 D HN 0.484 nan 8.370 nan 0.000 0.510 359 F N 0.035 119.749 119.950 -0.393 0.000 2.749 359 F HA 0.298 4.825 4.527 -0.000 0.000 0.300 359 F C 1.608 177.228 175.800 -0.301 0.000 1.103 359 F CA 0.066 57.762 58.000 -0.506 0.000 1.342 359 F CB 0.294 38.590 39.000 -1.173 0.000 1.098 359 F HN 0.047 nan 8.300 nan 0.000 0.586 360 G N -0.199 108.650 108.800 0.081 0.000 2.149 360 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.235 360 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.235 360 G C -0.378 174.757 174.900 0.392 0.000 1.018 360 G CA -0.180 45.042 45.100 0.203 0.000 0.728 360 G HN 0.113 nan 8.290 nan 0.000 0.508 361 W N 0.916 122.271 121.300 0.091 0.000 2.433 361 W HA 0.641 5.301 4.660 -0.000 0.000 0.315 361 W C 0.483 177.064 176.519 0.102 0.000 1.087 361 W CA -2.113 55.245 57.345 0.022 0.000 1.205 361 W CB 0.725 30.166 29.460 -0.031 0.000 1.288 361 W HN 0.331 nan 8.180 nan 0.000 0.504 362 E N 2.461 122.842 120.200 0.301 0.000 2.354 362 E HA 0.083 4.433 4.350 -0.000 0.000 0.269 362 E C -0.941 175.925 176.600 0.444 0.000 1.036 362 E CA -0.560 56.029 56.400 0.314 0.000 0.876 362 E CB 0.599 30.436 29.700 0.229 0.000 1.009 362 E HN 0.255 nan 8.360 nan 0.000 0.416 363 F N 5.915 126.069 119.950 0.341 0.000 2.466 363 F HA 0.240 4.767 4.527 -0.000 0.000 0.363 363 F C -1.135 174.917 175.800 0.419 0.000 1.109 363 F CA -0.116 58.128 58.000 0.407 0.000 1.161 363 F CB 0.086 39.276 39.000 0.318 0.000 1.117 363 F HN 0.416 nan 8.300 nan 0.000 0.539 364 F N 9.627 129.607 119.950 0.049 0.000 3.065 364 F HA 0.382 4.909 4.527 0.000 0.000 0.383 364 F C -2.268 173.497 175.800 -0.059 0.000 1.259 364 F CA -2.038 56.003 58.000 0.069 0.000 1.217 364 F CB 0.595 39.694 39.000 0.165 0.000 2.042 364 F HN 0.245 nan 8.300 nan 0.000 0.641 365 P HA -0.194 nan 4.420 nan 0.000 0.215 365 P C 1.131 178.094 177.300 -0.562 0.000 1.157 365 P CA 1.806 64.340 63.100 -0.943 0.000 0.874 365 P CB 0.318 31.506 31.700 -0.854 0.000 0.790 366 E N -0.543 119.286 120.200 -0.617 0.000 2.147 366 E HA -0.180 4.170 4.350 -0.000 0.000 0.199 366 E C 2.276 178.748 176.600 -0.214 0.000 1.005 366 E CA 1.551 57.699 56.400 -0.421 0.000 0.810 366 E CB -1.445 27.941 29.700 -0.524 0.000 0.736 366 E HN 0.270 nan 8.360 nan 0.000 0.460 367 G N 0.952 109.682 108.800 -0.118 0.000 2.475 367 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.220 367 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.220 367 G C 1.473 176.032 174.900 -0.567 0.000 1.125 367 G CA 0.839 45.983 45.100 0.073 0.000 0.755 367 G HN 0.208 nan 8.290 nan 0.000 0.565 368 L N -0.610 120.083 121.223 -0.884 0.000 2.093 368 L HA 0.067 4.407 4.340 -0.000 0.000 0.208 368 L C 2.438 179.159 176.870 -0.248 0.000 1.085 368 L CA 1.513 55.893 54.840 -0.766 0.000 0.755 368 L CB -0.764 41.084 42.059 -0.352 0.000 0.904 368 L HN 0.356 nan 8.230 nan 0.000 0.435 369 Y N 0.255 120.409 120.300 -0.243 0.000 2.200 369 Y HA -0.250 4.300 4.550 -0.000 0.000 0.290 369 Y C 2.372 178.221 175.900 -0.086 0.000 1.137 369 Y CA 2.033 60.049 58.100 -0.140 0.000 1.163 369 Y CB -0.456 37.916 38.460 -0.146 0.000 0.988 369 Y HN 0.470 nan 8.280 nan 0.000 0.518 370 D N -0.394 119.961 120.400 -0.074 0.000 2.092 370 D HA -0.204 4.436 4.640 -0.000 0.000 0.193 370 D C 2.122 178.347 176.300 -0.125 0.000 0.994 370 D CA 2.180 56.129 54.000 -0.086 0.000 0.828 370 D CB -0.414 40.413 40.800 0.045 0.000 0.963 370 D HN 0.236 nan 8.370 nan 0.000 0.450 371 V N 0.403 120.251 119.914 -0.110 0.000 2.295 371 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 371 V C 2.720 178.850 176.094 0.060 0.000 1.049 371 V CA 1.440 63.712 62.300 -0.046 0.000 1.024 371 V CB -0.566 31.264 31.823 0.012 0.000 0.648 371 V HN 0.318 nan 8.190 nan 0.000 0.447 372 L N 0.437 121.670 121.223 0.018 0.000 1.989 372 L HA -0.201 4.139 4.340 -0.000 0.000 0.211 372 L C 2.868 179.767 176.870 0.047 0.000 1.071 372 L CA 2.308 57.191 54.840 0.073 0.000 0.749 372 L CB -1.194 40.861 42.059 -0.006 0.000 0.890 372 L HN 0.594 nan 8.230 nan 0.000 0.431 373 T N -3.174 111.282 114.554 -0.162 0.000 2.788 373 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 373 T C 1.932 176.636 174.700 0.005 0.000 1.044 373 T CA 0.661 62.683 62.100 -0.131 0.000 1.139 373 T CB -0.172 68.445 68.868 -0.419 0.000 0.867 373 T HN 0.108 nan 8.240 nan 0.000 0.454 374 K N 0.510 120.908 120.400 -0.003 0.000 2.032 374 K HA -0.068 4.252 4.320 -0.000 0.000 0.209 374 K C 2.119 178.803 176.600 0.140 0.000 1.048 374 K CA 1.440 57.769 56.287 0.070 0.000 0.927 374 K CB -0.737 31.813 32.500 0.083 0.000 0.712 374 K HN 0.451 nan 8.250 nan 0.000 0.441 375 Y N 0.105 120.517 120.300 0.186 0.000 2.181 375 Y HA -0.234 4.316 4.550 -0.000 0.000 0.288 375 Y C 2.320 178.242 175.900 0.036 0.000 1.146 375 Y CA 1.088 59.293 58.100 0.175 0.000 1.164 375 Y CB -0.508 38.033 38.460 0.136 0.000 0.982 375 Y HN 0.303 nan 8.280 nan 0.000 0.515 376 W N 1.137 122.448 121.300 0.018 0.000 2.354 376 W HA -0.255 4.405 4.660 -0.000 0.000 0.315 376 W C 1.415 177.630 176.519 -0.506 0.000 1.206 376 W CA 1.724 58.969 57.345 -0.167 0.000 1.290 376 W CB -0.387 29.000 29.460 -0.121 0.000 1.152 376 W HN 0.087 nan 8.180 nan 0.000 0.489 377 N N 0.507 118.949 118.700 -0.430 0.000 2.443 377 N HA -0.162 4.578 4.740 -0.000 0.000 0.184 377 N C 1.787 176.915 175.510 -0.638 0.000 1.037 377 N CA 1.236 53.935 53.050 -0.586 0.000 0.896 377 N CB -0.499 37.852 38.487 -0.226 0.000 0.959 377 N HN 0.371 nan 8.380 nan 0.000 0.442 378 R N -0.690 119.407 120.500 -0.671 0.000 2.087 378 R HA 0.029 4.369 4.340 -0.000 0.000 0.216 378 R C 0.881 176.711 176.300 -0.783 0.000 1.114 378 R CA 0.805 56.385 56.100 -0.866 0.000 1.002 378 R CB 0.173 29.612 30.300 -1.435 0.000 0.903 378 R HN 0.135 nan 8.270 nan 0.000 0.445 379 Y N -1.496 118.612 120.300 -0.319 0.000 2.444 379 Y HA 0.248 4.798 4.550 -0.000 0.000 0.252 379 Y C -0.185 175.603 175.900 -0.188 0.000 1.091 379 Y CA -0.119 57.873 58.100 -0.181 0.000 1.276 379 Y CB 0.179 38.592 38.460 -0.079 0.000 1.170 379 Y HN 0.163 nan 8.280 nan 0.000 0.517 380 H N -0.450 118.403 119.070 -0.362 0.000 2.791 380 H HA -0.153 4.403 4.556 -0.000 0.000 0.302 380 H C -0.688 174.505 175.328 -0.225 0.000 1.198 380 H CA 0.446 55.973 56.048 -0.868 0.000 1.145 380 H CB -1.922 27.351 29.762 -0.815 0.000 1.385 380 H HN 0.204 nan 8.280 nan 0.000 0.409 381 L N 1.185 122.523 121.223 0.191 0.000 2.309 381 L HA 0.312 4.652 4.340 -0.000 0.000 0.282 381 L C 0.889 178.037 176.870 0.464 0.000 1.036 381 L CA -1.298 53.715 54.840 0.287 0.000 0.806 381 L CB 0.628 42.755 42.059 0.113 0.000 1.220 381 L HN 0.241 nan 8.230 nan 0.000 0.429 382 Y N 2.402 122.937 120.300 0.392 0.000 2.426 382 Y HA 0.519 5.069 4.550 0.000 0.000 0.344 382 Y C -0.034 175.952 175.900 0.142 0.000 1.256 382 Y CA -1.025 57.204 58.100 0.214 0.000 1.451 382 Y CB 0.498 38.987 38.460 0.048 0.000 1.342 382 Y HN 0.548 nan 8.280 nan 0.000 0.600 383 M N 1.467 121.140 119.600 0.122 0.000 2.683 383 M HA 0.592 5.072 4.480 -0.000 0.000 0.274 383 M C -2.367 173.894 176.300 -0.065 0.000 1.272 383 M CA -1.052 54.284 55.300 0.060 0.000 0.833 383 M CB 2.344 34.986 32.600 0.070 0.000 1.708 383 M HN 0.678 nan 8.290 nan 0.000 0.463 384 Y N -0.239 120.161 120.300 0.168 0.000 2.446 384 Y HA 0.575 5.125 4.550 -0.000 0.000 0.345 384 Y C -0.380 175.590 175.900 0.116 0.000 0.984 384 Y CA -0.921 57.216 58.100 0.062 0.000 1.058 384 Y CB 2.397 40.825 38.460 -0.053 0.000 1.220 384 Y HN 0.468 nan 8.280 nan 0.000 0.455 385 V N 3.056 123.132 119.914 0.271 0.000 2.313 385 V HA 0.035 4.154 4.120 -0.000 0.000 0.252 385 V C 0.792 176.949 176.094 0.104 0.000 1.112 385 V CA 0.275 62.690 62.300 0.191 0.000 0.984 385 V CB -0.086 31.872 31.823 0.226 0.000 1.157 385 V HN 1.054 nan 8.190 nan 0.000 0.493 386 T N 0.925 115.574 114.554 0.158 0.000 3.085 386 T HA 0.143 4.493 4.350 -0.000 0.000 0.263 386 T C 0.452 175.216 174.700 0.108 0.000 1.127 386 T CA 0.425 62.605 62.100 0.135 0.000 1.103 386 T CB 0.212 69.212 68.868 0.219 0.000 0.921 386 T HN 0.641 nan 8.240 nan 0.000 0.510 387 E N 0.435 120.662 120.200 0.045 0.000 2.347 387 E HA 0.508 4.858 4.350 -0.000 0.000 0.285 387 E C -1.729 174.752 176.600 -0.198 0.000 0.925 387 E CA -0.746 55.669 56.400 0.025 0.000 0.779 387 E CB 1.721 31.468 29.700 0.077 0.000 1.233 387 E HN 0.215 nan 8.360 nan 0.000 0.414 388 N N 1.408 119.974 118.700 -0.224 0.000 2.666 388 N HA 0.586 5.326 4.740 -0.000 0.000 0.260 388 N C -1.285 174.138 175.510 -0.145 0.000 1.077 388 N CA -0.092 52.808 53.050 -0.250 0.000 1.026 388 N CB 1.900 40.401 38.487 0.024 0.000 1.653 388 N HN 0.632 nan 8.380 nan 0.000 0.533 389 G N 1.362 110.215 108.800 0.089 0.000 2.427 389 G HA2 0.565 4.525 3.960 -0.000 0.000 0.306 389 G HA3 0.565 4.525 3.960 -0.000 0.000 0.306 389 G C -1.890 173.041 174.900 0.051 0.000 1.280 389 G CA -0.455 44.697 45.100 0.087 0.000 0.837 389 G HN 0.720 nan 8.290 nan 0.000 0.482 390 I N -0.528 120.079 120.570 0.062 0.000 2.743 390 I HA 0.626 4.796 4.170 -0.000 0.000 0.292 390 I C -0.428 175.295 176.117 -0.658 0.000 1.343 390 I CA -1.093 60.022 61.300 -0.309 0.000 1.038 390 I CB 1.953 39.601 38.000 -0.587 0.000 1.311 390 I HN 1.022 nan 8.210 nan 0.000 0.426 391 A N 4.580 126.712 122.820 -1.147 0.000 2.410 391 A HA 0.461 4.781 4.320 -0.000 0.000 0.292 391 A C -0.609 176.674 177.584 -0.501 0.000 1.232 391 A CA 0.245 51.593 52.037 -1.149 0.000 0.893 391 A CB -0.241 18.105 19.000 -1.091 0.000 1.131 391 A HN 0.588 nan 8.150 nan 0.000 0.530 392 D N 2.280 122.477 120.400 -0.338 0.000 2.584 392 D HA 0.104 4.744 4.640 -0.000 0.000 0.238 392 D C 0.267 176.466 176.300 -0.168 0.000 1.302 392 D CA -0.344 53.541 54.000 -0.192 0.000 0.884 392 D CB 0.715 41.453 40.800 -0.104 0.000 1.456 392 D HN 0.429 nan 8.370 nan 0.000 0.528 393 D N 1.989 122.285 120.400 -0.174 0.000 2.117 393 D HA -0.109 4.531 4.640 -0.000 0.000 0.197 393 D C 1.792 177.969 176.300 -0.205 0.000 0.987 393 D CA 1.641 55.551 54.000 -0.151 0.000 0.829 393 D CB 0.342 41.069 40.800 -0.122 0.000 0.961 393 D HN 0.370 nan 8.370 nan 0.000 0.460 394 A N -0.282 122.340 122.820 -0.330 0.000 2.066 394 A HA -0.005 4.315 4.320 -0.000 0.000 0.218 394 A C 1.118 178.398 177.584 -0.506 0.000 1.157 394 A CA 1.456 53.144 52.037 -0.582 0.000 0.670 394 A CB -0.238 18.014 19.000 -1.248 0.000 0.804 394 A HN 0.334 nan 8.150 nan 0.000 0.453 395 D N -4.547 115.678 120.400 -0.291 0.000 3.017 395 D HA -0.191 4.449 4.640 -0.000 0.000 0.220 395 D C 0.169 176.498 176.300 0.049 0.000 1.141 395 D CA 0.971 54.920 54.000 -0.086 0.000 0.848 395 D CB -1.769 39.005 40.800 -0.044 0.000 1.102 395 D HN 0.477 nan 8.370 nan 0.000 0.427 396 Y N -0.006 120.345 120.300 0.086 0.000 2.220 396 Y HA 0.031 4.581 4.550 -0.000 0.000 0.291 396 Y C 2.541 178.561 175.900 0.199 0.000 1.129 396 Y CA 1.531 59.701 58.100 0.118 0.000 1.161 396 Y CB -0.357 38.145 38.460 0.070 0.000 0.997 396 Y HN 0.329 nan 8.280 nan 0.000 0.522 397 Q N -1.020 118.989 119.800 0.347 0.000 2.392 397 Q HA 0.054 4.394 4.340 -0.000 0.000 0.219 397 Q C 2.180 178.461 176.000 0.468 0.000 0.895 397 Q CA -0.084 55.952 55.803 0.388 0.000 0.929 397 Q CB 0.151 29.080 28.738 0.318 0.000 1.077 397 Q HN 0.317 nan 8.270 nan 0.000 0.532 398 R N 1.244 121.932 120.500 0.313 0.000 2.103 398 R HA -0.153 4.187 4.340 -0.000 0.000 0.242 398 R C -0.871 175.612 176.300 0.304 0.000 1.142 398 R CA 1.656 57.931 56.100 0.292 0.000 0.960 398 R CB -0.701 29.690 30.300 0.152 0.000 0.858 398 R HN 0.135 nan 8.270 nan 0.000 0.439 399 P HA -0.156 nan 4.420 nan 0.000 0.215 399 P C 0.511 177.859 177.300 0.081 0.000 1.157 399 P CA 1.454 64.594 63.100 0.067 0.000 0.868 399 P CB -0.117 31.548 31.700 -0.060 0.000 0.788 400 Y N -2.824 117.609 120.300 0.222 0.000 2.200 400 Y HA -0.183 4.367 4.550 0.000 0.000 0.290 400 Y C 2.581 178.779 175.900 0.498 0.000 1.137 400 Y CA 1.199 59.463 58.100 0.273 0.000 1.163 400 Y CB -1.406 37.182 38.460 0.214 0.000 0.988 400 Y HN -0.059 nan 8.280 nan 0.000 0.518 401 Y N 0.169 120.877 120.300 0.679 0.000 2.145 401 Y HA -0.262 4.288 4.550 -0.000 0.000 0.286 401 Y C 2.369 178.540 175.900 0.451 0.000 1.145 401 Y CA 1.302 59.757 58.100 0.592 0.000 1.148 401 Y CB -0.631 38.116 38.460 0.479 0.000 0.981 401 Y HN 0.147 nan 8.280 nan 0.000 0.507 402 L N -0.515 121.026 121.223 0.530 0.000 1.970 402 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 402 L C 2.274 179.250 176.870 0.177 0.000 1.071 402 L CA 2.013 57.037 54.840 0.306 0.000 0.751 402 L CB -1.246 40.840 42.059 0.045 0.000 0.889 402 L HN 0.118 nan 8.230 nan 0.000 0.432 403 V N -0.582 119.406 119.914 0.124 0.000 2.343 403 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 403 V C 2.602 178.758 176.094 0.102 0.000 1.051 403 V CA 1.875 64.216 62.300 0.068 0.000 1.036 403 V CB -0.848 30.970 31.823 -0.008 0.000 0.654 403 V HN 0.539 nan 8.190 nan 0.000 0.451 404 S N -0.911 114.874 115.700 0.141 0.000 2.356 404 S HA -0.224 4.246 4.470 -0.000 0.000 0.223 404 S C 1.880 176.483 174.600 0.005 0.000 1.032 404 S CA 1.808 60.048 58.200 0.067 0.000 1.005 404 S CB -0.381 62.860 63.200 0.068 0.000 0.867 404 S HN 0.733 nan 8.310 nan 0.000 0.449 405 H N 0.231 119.291 119.070 -0.017 0.000 2.428 405 H HA 0.112 4.668 4.556 -0.000 0.000 0.296 405 H C 2.051 177.444 175.328 0.108 0.000 1.062 405 H CA 1.030 57.097 56.048 0.033 0.000 1.350 405 H CB -0.348 29.461 29.762 0.079 0.000 1.403 405 H HN 0.128 nan 8.280 nan 0.000 0.533 406 V N 0.460 120.459 119.914 0.141 0.000 2.407 406 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 406 V C 2.044 178.306 176.094 0.279 0.000 1.055 406 V CA 1.903 64.249 62.300 0.076 0.000 1.049 406 V CB -0.636 31.163 31.823 -0.040 0.000 0.662 406 V HN 0.484 nan 8.190 nan 0.000 0.455 407 Y N 1.032 121.362 120.300 0.050 0.000 2.181 407 Y HA -0.243 4.307 4.550 -0.000 0.000 0.288 407 Y C 2.625 178.503 175.900 -0.036 0.000 1.146 407 Y CA 1.763 59.810 58.100 -0.088 0.000 1.164 407 Y CB -0.238 38.064 38.460 -0.263 0.000 0.982 407 Y HN 0.198 nan 8.280 nan 0.000 0.515 408 Q N -0.100 119.624 119.800 -0.126 0.000 2.170 408 Q HA -0.128 4.212 4.340 -0.000 0.000 0.203 408 Q C 2.514 178.491 176.000 -0.039 0.000 0.976 408 Q CA 1.605 57.301 55.803 -0.179 0.000 0.858 408 Q CB -0.745 27.947 28.738 -0.078 0.000 0.907 408 Q HN 0.509 nan 8.270 nan 0.000 0.433 409 V N 0.086 120.067 119.914 0.113 0.000 2.427 409 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 409 V C 2.229 178.378 176.094 0.091 0.000 1.051 409 V CA 2.034 64.462 62.300 0.214 0.000 1.048 409 V CB -0.680 31.407 31.823 0.440 0.000 0.666 409 V HN 0.401 nan 8.190 nan 0.000 0.456 410 H N 0.631 119.626 119.070 -0.125 0.000 2.353 410 H HA -0.174 4.382 4.556 -0.000 0.000 0.300 410 H C 2.454 177.547 175.328 -0.392 0.000 1.090 410 H CA 2.224 57.961 56.048 -0.519 0.000 1.327 410 H CB -0.059 29.292 29.762 -0.685 0.000 1.383 410 H HN 0.245 nan 8.280 nan 0.000 0.508 411 R N -0.249 120.025 120.500 -0.377 0.000 2.120 411 R HA -0.066 4.274 4.340 -0.000 0.000 0.234 411 R C 2.310 178.586 176.300 -0.039 0.000 1.123 411 R CA 1.110 57.007 56.100 -0.338 0.000 0.975 411 R CB -0.295 29.666 30.300 -0.566 0.000 0.866 411 R HN 0.432 nan 8.270 nan 0.000 0.446 412 A N 0.557 123.425 122.820 0.080 0.000 1.929 412 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 412 A C 2.068 179.584 177.584 -0.114 0.000 1.176 412 A CA 0.997 53.072 52.037 0.064 0.000 0.628 412 A CB -0.340 18.645 19.000 -0.026 0.000 0.816 412 A HN 0.320 nan 8.150 nan 0.000 0.444 413 I N 0.092 120.546 120.570 -0.193 0.000 2.226 413 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 413 I C 1.966 177.921 176.117 -0.269 0.000 1.100 413 I CA 1.107 62.250 61.300 -0.262 0.000 1.374 413 I CB -0.407 37.406 38.000 -0.312 0.000 1.057 413 I HN 0.389 nan 8.210 nan 0.000 0.413 414 N N 0.205 118.722 118.700 -0.305 0.000 2.453 414 N HA -0.080 4.660 4.740 -0.000 0.000 0.183 414 N C 1.643 177.090 175.510 -0.105 0.000 1.041 414 N CA 0.841 53.753 53.050 -0.230 0.000 0.900 414 N CB 0.130 38.457 38.487 -0.267 0.000 0.961 414 N HN 0.232 nan 8.380 nan 0.000 0.443 415 S N -0.771 114.895 115.700 -0.057 0.000 2.558 415 S HA 0.146 4.616 4.470 -0.000 0.000 0.217 415 S C 1.437 176.031 174.600 -0.009 0.000 0.975 415 S CA 0.615 58.828 58.200 0.021 0.000 0.912 415 S CB 0.558 63.826 63.200 0.113 0.000 0.776 415 S HN 0.612 nan 8.310 nan 0.000 0.526 416 G N 0.847 109.582 108.800 -0.108 0.000 2.211 416 G HA2 -0.120 3.839 3.960 -0.000 0.000 0.201 416 G HA3 -0.120 3.839 3.960 -0.000 0.000 0.201 416 G C 0.163 174.747 174.900 -0.527 0.000 0.997 416 G CA -0.257 44.763 45.100 -0.133 0.000 0.652 416 G HN 0.759 nan 8.290 nan 0.000 0.500 417 A N 0.427 122.832 122.820 -0.692 0.000 2.477 417 A HA 0.491 4.811 4.320 -0.000 0.000 0.246 417 A C 0.223 177.194 177.584 -1.023 0.000 1.078 417 A CA 0.686 51.961 52.037 -1.270 0.000 0.770 417 A CB 0.380 19.055 19.000 -0.541 0.000 1.011 417 A HN 0.331 nan 8.150 nan 0.000 0.494 418 D N 2.586 122.151 120.400 -1.392 0.000 2.494 418 D HA 0.363 5.003 4.640 -0.000 0.000 0.217 418 D C -0.817 175.324 176.300 -0.266 0.000 1.153 418 D CA 0.125 53.737 54.000 -0.646 0.000 0.954 418 D CB 0.164 40.666 40.800 -0.497 0.000 1.034 418 D HN 0.104 nan 8.370 nan 0.000 0.518 419 V N 5.479 125.301 119.914 -0.153 0.000 2.357 419 V HA 0.346 4.466 4.120 -0.000 0.000 0.284 419 V C 1.348 177.457 176.094 0.024 0.000 1.018 419 V CA -0.639 61.654 62.300 -0.011 0.000 0.841 419 V CB 1.543 33.446 31.823 0.134 0.000 0.991 419 V HN 0.382 nan 8.190 nan 0.000 0.437 420 R N 2.824 123.150 120.500 -0.290 0.000 2.334 420 R HA 0.465 4.805 4.340 -0.000 0.000 0.216 420 R C 0.749 176.636 176.300 -0.689 0.000 0.905 420 R CA 0.362 56.193 56.100 -0.448 0.000 1.064 420 R CB 0.892 30.777 30.300 -0.691 0.000 1.046 420 R HN 0.825 nan 8.270 nan 0.000 0.508 421 G N -0.165 108.241 108.800 -0.658 0.000 2.547 421 G HA2 0.254 4.214 3.960 -0.000 0.000 0.291 421 G HA3 0.254 4.214 3.960 -0.000 0.000 0.291 421 G C -2.385 172.355 174.900 -0.267 0.000 1.471 421 G CA -0.621 43.939 45.100 -0.901 0.000 0.798 421 G HN 0.075 nan 8.290 nan 0.000 0.504 422 Y N 0.672 120.775 120.300 -0.327 0.000 2.329 422 Y HA 0.705 5.255 4.550 -0.000 0.000 0.328 422 Y C -1.514 174.541 175.900 0.258 0.000 0.992 422 Y CA -1.136 57.051 58.100 0.146 0.000 1.151 422 Y CB 1.550 40.232 38.460 0.371 0.000 1.150 422 Y HN 0.387 nan 8.280 nan 0.000 0.450 423 L N 6.919 128.043 121.223 -0.164 0.000 2.301 423 L HA 0.307 4.647 4.340 -0.000 0.000 0.278 423 L C -0.367 176.450 176.870 -0.089 0.000 1.022 423 L CA -0.657 54.189 54.840 0.011 0.000 0.854 423 L CB 0.530 42.593 42.059 0.008 0.000 1.226 423 L HN 0.689 nan 8.230 nan 0.000 0.429 424 H N 2.911 121.980 119.070 -0.002 0.000 2.928 424 H HA -0.068 4.488 4.556 -0.000 0.000 0.338 424 H C -0.539 174.910 175.328 0.203 0.000 1.047 424 H CA 0.290 56.365 56.048 0.046 0.000 1.435 424 H CB 0.622 30.430 29.762 0.076 0.000 1.428 424 H HN 0.642 nan 8.280 nan 0.000 0.590 425 W N 6.738 127.867 121.300 -0.286 0.000 2.659 425 W HA 0.230 4.890 4.660 0.000 0.000 0.342 425 W C -0.769 175.820 176.519 0.116 0.000 1.287 425 W CA 0.085 57.418 57.345 -0.019 0.000 1.460 425 W CB -0.341 29.154 29.460 0.059 0.000 1.503 425 W HN 0.755 nan 8.180 nan 0.000 0.483 426 S N 3.681 119.044 115.700 -0.561 0.000 3.152 426 S HA -0.256 4.214 4.470 -0.000 0.000 0.857 426 S C 0.784 175.294 174.600 -0.150 0.000 1.044 426 S CA 0.123 58.049 58.200 -0.457 0.000 1.231 426 S CB -0.536 62.092 63.200 -0.953 0.000 0.871 426 S HN 0.732 nan 8.310 nan 0.000 0.252 427 L N 1.567 122.630 121.223 -0.266 0.000 2.056 427 L HA 0.126 4.466 4.340 -0.000 0.000 0.207 427 L C 1.053 177.684 176.870 -0.397 0.000 1.078 427 L CA 2.065 56.611 54.840 -0.491 0.000 0.749 427 L CB -0.394 41.060 42.059 -1.009 0.000 0.901 427 L HN 0.879 nan 8.230 nan 0.000 0.433 428 A N -1.130 121.495 122.820 -0.325 0.000 2.469 428 A HA 0.426 4.746 4.320 -0.000 0.000 0.299 428 A C -1.121 176.402 177.584 -0.101 0.000 1.098 428 A CA -0.853 51.021 52.037 -0.272 0.000 0.737 428 A CB 0.878 19.604 19.000 -0.457 0.000 1.312 428 A HN 0.105 nan 8.150 nan 0.000 0.414 429 D N 1.602 121.978 120.400 -0.039 0.000 2.390 429 D HA 0.212 4.852 4.640 -0.000 0.000 0.236 429 D C 0.022 176.463 176.300 0.235 0.000 1.189 429 D CA 0.797 54.871 54.000 0.123 0.000 0.887 429 D CB 0.429 41.313 40.800 0.140 0.000 1.198 429 D HN 0.682 nan 8.370 nan 0.000 0.444 430 N N -0.501 118.419 118.700 0.367 0.000 3.364 430 N HA 0.041 4.781 4.740 -0.000 0.000 0.294 430 N C -1.334 174.428 175.510 0.421 0.000 1.562 430 N CA -0.700 52.599 53.050 0.416 0.000 0.862 430 N CB 0.617 39.241 38.487 0.229 0.000 1.691 430 N HN 0.275 nan 8.380 nan 0.000 0.572 431 Y N 1.174 121.500 120.300 0.043 0.000 2.584 431 Y HA 0.122 4.672 4.550 -0.000 0.000 0.351 431 Y C 0.318 175.949 175.900 -0.449 0.000 1.030 431 Y CA 0.052 57.904 58.100 -0.413 0.000 1.332 431 Y CB 0.276 38.346 38.460 -0.651 0.000 1.148 431 Y HN 0.375 nan 8.280 nan 0.000 0.528 432 E N 7.150 127.037 120.200 -0.522 0.000 2.346 432 E HA -0.003 4.347 4.350 -0.000 0.000 0.317 432 E C -0.172 176.245 176.600 -0.305 0.000 1.404 432 E CA 0.090 56.314 56.400 -0.293 0.000 1.534 432 E CB -0.603 29.101 29.700 0.006 0.000 1.309 432 E HN 0.824 nan 8.360 nan 0.000 0.499 433 W N 0.773 121.837 121.300 -0.393 0.000 1.933 433 W HA -0.467 4.192 4.660 -0.000 0.000 0.279 433 W C 1.946 178.378 176.519 -0.144 0.000 1.131 433 W CA 1.222 58.398 57.345 -0.282 0.000 1.071 433 W CB -1.659 27.680 29.460 -0.201 0.000 0.881 433 W HN 0.377 nan 8.180 nan 0.000 0.547 434 A N -0.482 122.659 122.820 0.536 0.000 2.076 434 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 434 A C 1.808 179.500 177.584 0.181 0.000 1.160 434 A CA 2.444 54.737 52.037 0.428 0.000 0.653 434 A CB -0.993 18.350 19.000 0.572 0.000 0.801 434 A HN 0.450 nan 8.150 nan 0.000 0.455 435 S N -1.348 114.425 115.700 0.122 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 -0.222 0.000 0.995 435 S CA 0.786 58.972 58.200 -0.023 0.000 0.934 435 S CB -0.394 62.780 63.200 -0.044 0.000 0.771 435 S HN 1.598 nan 8.310 nan 0.000 0.522 436 G N 1.133 109.634 108.800 -0.498 0.000 2.584 436 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.229 436 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.229 436 G C 0.087 174.625 174.900 -0.603 0.000 1.320 436 G CA -0.121 44.567 45.100 -0.688 0.000 0.891 436 G HN 0.265 nan 8.290 nan 0.000 0.573 437 F N 1.928 121.768 119.950 -0.183 0.000 2.780 437 F HA 0.156 4.683 4.527 0.000 0.000 0.299 437 F C 2.897 178.642 175.800 -0.091 0.000 1.146 437 F CA 1.382 59.286 58.000 -0.160 0.000 1.428 437 F CB 0.027 38.798 39.000 -0.383 0.000 1.115 437 F HN 0.549 nan 8.300 nan 0.000 0.583 438 S N -0.472 115.240 115.700 0.021 0.000 2.419 438 S HA -0.110 4.360 4.470 -0.000 0.000 0.233 438 S C 1.106 175.642 174.600 -0.106 0.000 1.016 438 S CA 0.698 58.879 58.200 -0.032 0.000 0.974 438 S CB -0.369 62.783 63.200 -0.080 0.000 0.786 438 S HN 0.082 nan 8.310 nan 0.000 0.492 439 M N 2.769 122.268 119.600 -0.169 0.000 2.151 439 M HA 0.356 4.836 4.480 -0.000 0.000 0.349 439 M C -0.427 175.864 176.300 -0.015 0.000 1.284 439 M CA 0.295 55.436 55.300 -0.265 0.000 1.173 439 M CB 0.375 32.673 32.600 -0.502 0.000 1.469 439 M HN 0.208 nan 8.290 nan 0.000 0.439 440 R N 2.378 122.830 120.500 -0.080 0.000 2.215 440 R HA 0.313 4.653 4.340 -0.000 0.000 0.337 440 R C -0.078 176.215 176.300 -0.012 0.000 1.010 440 R CA -0.141 55.990 56.100 0.051 0.000 0.871 440 R CB 0.563 30.879 30.300 0.026 0.000 1.134 440 R HN 0.482 nan 8.270 nan 0.000 0.477 441 F N 0.472 120.480 119.950 0.096 0.000 2.727 441 F HA 0.208 4.735 4.527 -0.000 0.000 0.302 441 F C 1.710 177.543 175.800 0.055 0.000 1.097 441 F CA -0.294 57.786 58.000 0.134 0.000 1.330 441 F CB 0.528 39.752 39.000 0.372 0.000 1.084 441 F HN 0.558 nan 8.300 nan 0.000 0.578 442 G N 0.129 109.018 108.800 0.148 0.000 2.527 442 G HA2 0.288 4.248 3.960 -0.000 0.000 0.248 442 G HA3 0.288 4.248 3.960 -0.000 0.000 0.248 442 G C 0.836 175.731 174.900 -0.009 0.000 1.231 442 G CA -0.424 44.688 45.100 0.019 0.000 0.838 442 G HN 0.242 nan 8.290 nan 0.000 0.570 443 L N 0.258 121.436 121.223 -0.074 0.000 2.240 443 L HA 0.199 4.539 4.340 -0.000 0.000 0.211 443 L C 0.768 177.501 176.870 -0.227 0.000 1.106 443 L CA 0.607 55.362 54.840 -0.142 0.000 0.793 443 L CB -0.235 41.703 42.059 -0.202 0.000 0.927 443 L HN 0.250 nan 8.230 nan 0.000 0.446 444 L N 0.263 121.319 121.223 -0.277 0.000 2.322 444 L HA 0.340 4.680 4.340 -0.000 0.000 0.281 444 L C -0.045 176.723 176.870 -0.170 0.000 1.014 444 L CA -0.468 54.196 54.840 -0.292 0.000 0.815 444 L CB 1.714 43.499 42.059 -0.457 0.000 1.247 444 L HN -0.063 nan 8.230 nan 0.000 0.421 445 K N 2.397 122.758 120.400 -0.065 0.000 2.249 445 K HA 0.470 4.790 4.320 -0.000 0.000 0.280 445 K C -1.075 175.497 176.600 -0.045 0.000 1.033 445 K CA -0.476 55.789 56.287 -0.036 0.000 0.946 445 K CB 1.401 33.903 32.500 0.003 0.000 1.005 445 K HN 0.368 nan 8.250 nan 0.000 0.469 446 V N 4.042 123.851 119.914 -0.175 0.000 2.398 446 V HA 0.078 4.198 4.120 -0.000 0.000 0.286 446 V C -0.331 175.537 176.094 -0.376 0.000 1.026 446 V CA -0.777 61.313 62.300 -0.349 0.000 0.868 446 V CB 1.445 32.857 31.823 -0.686 0.000 0.982 446 V HN 0.818 nan 8.190 nan 0.000 0.443 447 D N 3.570 123.861 120.400 -0.181 0.000 2.380 447 D HA 0.160 4.800 4.640 -0.000 0.000 0.230 447 D C 0.400 176.588 176.300 -0.186 0.000 1.154 447 D CA -0.206 53.743 54.000 -0.085 0.000 0.859 447 D CB 0.885 41.750 40.800 0.109 0.000 1.045 447 D HN 0.502 nan 8.370 nan 0.000 0.495 448 Y N 2.772 123.025 120.300 -0.079 0.000 2.639 448 Y HA -0.087 4.463 4.550 0.000 0.000 0.297 448 Y C 1.919 177.756 175.900 -0.104 0.000 1.151 448 Y CA 0.574 58.582 58.100 -0.152 0.000 1.335 448 Y CB -0.159 38.112 38.460 -0.316 0.000 0.994 448 Y HN 0.425 nan 8.280 nan 0.000 0.548 449 N N -0.973 117.759 118.700 0.053 0.000 2.197 449 N HA -0.112 4.628 4.740 -0.000 0.000 0.184 449 N C 1.934 177.456 175.510 0.021 0.000 1.030 449 N CA 1.906 54.976 53.050 0.034 0.000 0.851 449 N CB -0.183 38.321 38.487 0.029 0.000 1.003 449 N HN 0.296 nan 8.380 nan 0.000 0.430 450 T N -2.465 112.097 114.554 0.013 0.000 3.057 450 T HA 0.180 4.530 4.350 -0.000 0.000 0.254 450 T C 0.382 175.074 174.700 -0.014 0.000 1.094 450 T CA 0.168 62.270 62.100 0.003 0.000 1.088 450 T CB 0.204 69.078 68.868 0.009 0.000 0.934 450 T HN -0.038 nan 8.240 nan 0.000 0.497 451 K N 0.135 120.516 120.400 -0.032 0.000 3.391 451 K HA -0.148 4.172 4.320 -0.000 0.000 0.307 451 K C 0.227 176.778 176.600 -0.081 0.000 1.304 451 K CA 0.572 56.830 56.287 -0.048 0.000 0.904 451 K CB -2.012 30.497 32.500 0.015 0.000 1.293 451 K HN 0.685 nan 8.250 nan 0.000 0.470 452 R N 1.011 121.448 120.500 -0.105 0.000 2.539 452 R HA 0.412 4.752 4.340 -0.000 0.000 0.275 452 R C -0.027 176.099 176.300 -0.291 0.000 1.077 452 R CA -0.335 55.643 56.100 -0.203 0.000 1.097 452 R CB 0.507 30.672 30.300 -0.225 0.000 1.018 452 R HN 0.112 nan 8.270 nan 0.000 0.483 453 L N 4.364 125.356 121.223 -0.385 0.000 2.317 453 L HA 0.442 4.782 4.340 -0.000 0.000 0.281 453 L C -1.055 175.561 176.870 -0.423 0.000 1.024 453 L CA -0.867 53.767 54.840 -0.343 0.000 0.810 453 L CB 1.285 43.143 42.059 -0.336 0.000 1.240 453 L HN 0.625 nan 8.230 nan 0.000 0.427 454 Y N -0.296 119.977 120.300 -0.046 0.000 2.485 454 Y HA 0.348 4.898 4.550 -0.000 0.000 0.345 454 Y C -0.771 175.192 175.900 0.106 0.000 0.998 454 Y CA -0.514 57.625 58.100 0.065 0.000 1.059 454 Y CB 1.802 40.265 38.460 0.005 0.000 1.234 454 Y HN 0.412 nan 8.280 nan 0.000 0.461 455 W N 4.205 125.541 121.300 0.059 0.000 2.387 455 W HA 0.478 5.138 4.660 0.000 0.000 0.310 455 W C 0.167 176.699 176.519 0.022 0.000 1.181 455 W CA -0.982 56.368 57.345 0.008 0.000 1.333 455 W CB 0.324 29.777 29.460 -0.011 0.000 1.286 455 W HN 0.278 nan 8.180 nan 0.000 0.455 456 R N 4.269 124.837 120.500 0.114 0.000 2.641 456 R HA 0.071 4.411 4.340 -0.000 0.000 0.269 456 R C -1.304 175.059 176.300 0.106 0.000 1.074 456 R CA -1.241 54.903 56.100 0.073 0.000 1.133 456 R CB 0.140 30.442 30.300 0.003 0.000 1.029 456 R HN 0.163 nan 8.270 nan 0.000 0.488 457 P HA -0.240 nan 4.420 nan 0.000 0.217 457 P C 1.131 178.484 177.300 0.089 0.000 1.151 457 P CA 1.660 64.821 63.100 0.102 0.000 0.849 457 P CB 0.145 31.896 31.700 0.084 0.000 0.787 458 S N -0.968 114.765 115.700 0.055 0.000 2.442 458 S HA -0.142 4.328 4.470 -0.000 0.000 0.236 458 S C 1.975 176.587 174.600 0.021 0.000 1.007 458 S CA 1.430 59.647 58.200 0.028 0.000 0.965 458 S CB -1.520 61.686 63.200 0.010 0.000 0.773 458 S HN 0.280 nan 8.310 nan 0.000 0.504 459 S N 1.967 117.677 115.700 0.017 0.000 2.428 459 S HA 0.149 4.619 4.470 -0.000 0.000 0.230 459 S C 1.779 176.468 174.600 0.148 0.000 1.014 459 S CA 0.552 58.734 58.200 -0.029 0.000 0.957 459 S CB -0.762 62.244 63.200 -0.324 0.000 0.784 459 S HN 0.525 nan 8.310 nan 0.000 0.499 460 L N 0.929 122.295 121.223 0.238 0.000 2.156 460 L HA 0.035 4.375 4.340 -0.000 0.000 0.208 460 L C 2.583 179.541 176.870 0.147 0.000 1.095 460 L CA 0.573 55.566 54.840 0.254 0.000 0.770 460 L CB -0.504 41.674 42.059 0.198 0.000 0.914 460 L HN 0.235 nan 8.230 nan 0.000 0.439 461 V N -1.112 118.868 119.914 0.109 0.000 2.358 461 V HA -0.301 3.819 4.120 -0.000 0.000 0.246 461 V C 2.243 178.395 176.094 0.096 0.000 1.047 461 V CA 1.544 63.888 62.300 0.072 0.000 1.035 461 V CB -0.617 31.227 31.823 0.034 0.000 0.658 461 V HN 0.359 nan 8.190 nan 0.000 0.452 462 Y N 1.303 121.561 120.300 -0.070 0.000 2.224 462 Y HA -0.186 4.364 4.550 0.000 0.000 0.289 462 Y C 2.746 178.587 175.900 -0.099 0.000 1.146 462 Y CA 1.752 59.780 58.100 -0.121 0.000 1.182 462 Y CB -0.465 37.913 38.460 -0.137 0.000 0.983 462 Y HN 0.103 nan 8.280 nan 0.000 0.524 463 R N 0.312 120.826 120.500 0.023 0.000 2.096 463 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 463 R C 1.843 178.109 176.300 -0.056 0.000 1.127 463 R CA 1.621 57.706 56.100 -0.024 0.000 0.968 463 R CB -0.050 30.339 30.300 0.149 0.000 0.861 463 R HN 0.312 nan 8.270 nan 0.000 0.440 464 E N 0.680 120.868 120.200 -0.020 0.000 2.077 464 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 464 E C 2.104 178.651 176.600 -0.088 0.000 0.989 464 E CA 1.169 57.553 56.400 -0.028 0.000 0.800 464 E CB -0.207 29.495 29.700 0.003 0.000 0.746 464 E HN 0.456 nan 8.360 nan 0.000 0.452 465 I N 0.980 121.454 120.570 -0.161 0.000 2.163 465 I HA -0.234 3.935 4.170 -0.000 0.000 0.240 465 I C 2.538 178.345 176.117 -0.517 0.000 1.081 465 I CA 1.071 62.175 61.300 -0.327 0.000 1.353 465 I CB -0.402 37.347 38.000 -0.418 0.000 1.054 465 I HN -0.009 nan 8.210 nan 0.000 0.407 466 A N 0.153 122.626 122.820 -0.579 0.000 1.877 466 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 466 A C 2.406 179.928 177.584 -0.103 0.000 1.186 466 A CA 2.526 54.327 52.037 -0.395 0.000 0.620 466 A CB -1.173 17.582 19.000 -0.408 0.000 0.822 466 A HN 0.352 nan 8.150 nan 0.000 0.443 467 T N 0.200 114.697 114.554 -0.094 0.000 2.833 467 T HA -0.092 4.258 4.350 -0.000 0.000 0.269 467 T C 1.538 176.247 174.700 0.015 0.000 1.054 467 T CA 1.542 63.632 62.100 -0.017 0.000 1.135 467 T CB -0.333 68.527 68.868 -0.014 0.000 0.869 467 T HN 0.528 nan 8.240 nan 0.000 0.466 468 N N -0.185 118.517 118.700 0.004 0.000 2.254 468 N HA 0.129 4.869 4.740 -0.000 0.000 0.190 468 N C 1.220 176.792 175.510 0.104 0.000 1.107 468 N CA 0.576 53.652 53.050 0.044 0.000 0.869 468 N CB 0.665 39.171 38.487 0.031 0.000 0.983 468 N HN 0.456 nan 8.380 nan 0.000 0.487 469 G N 1.229 110.108 108.800 0.130 0.000 2.305 469 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.287 469 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.287 469 G C 0.014 175.148 174.900 0.390 0.000 1.036 469 G CA 0.684 45.974 45.100 0.317 0.000 0.887 469 G HN 0.681 nan 8.290 nan 0.000 0.505 470 A N -1.382 121.587 122.820 0.249 0.000 2.549 470 A HA 0.644 4.964 4.320 -0.000 0.000 0.291 470 A C -0.518 177.173 177.584 0.178 0.000 1.034 470 A CA -0.503 51.736 52.037 0.337 0.000 0.655 470 A CB 0.549 19.684 19.000 0.226 0.000 1.299 470 A HN 0.843 nan 8.150 nan 0.000 0.427 471 I N 2.848 123.560 120.570 0.237 0.000 2.294 471 I HA 0.234 4.404 4.170 -0.000 0.000 0.295 471 I C 1.239 177.437 176.117 0.135 0.000 1.098 471 I CA -0.005 61.397 61.300 0.171 0.000 1.277 471 I CB 0.895 39.038 38.000 0.239 0.000 1.434 471 I HN 0.779 nan 8.210 nan 0.000 0.498 472 T N 0.850 115.451 114.554 0.078 0.000 2.856 472 T HA 0.030 4.380 4.350 -0.000 0.000 0.306 472 T C 1.018 175.753 174.700 0.059 0.000 1.062 472 T CA -0.627 61.504 62.100 0.053 0.000 1.083 472 T CB 1.090 69.980 68.868 0.036 0.000 0.984 472 T HN 0.465 nan 8.240 nan 0.000 0.542 473 D N 1.122 121.541 120.400 0.031 0.000 2.149 473 D HA -0.142 4.498 4.640 -0.000 0.000 0.198 473 D C 2.099 178.431 176.300 0.054 0.000 0.990 473 D CA 1.410 55.428 54.000 0.030 0.000 0.839 473 D CB 0.012 40.812 40.800 0.000 0.000 0.948 473 D HN 0.821 nan 8.370 nan 0.000 0.460 474 E N 1.124 121.353 120.200 0.048 0.000 2.265 474 E HA -0.150 4.200 4.350 -0.000 0.000 0.196 474 E C 2.190 178.866 176.600 0.126 0.000 0.996 474 E CA 0.594 57.027 56.400 0.055 0.000 0.832 474 E CB -0.474 29.247 29.700 0.035 0.000 0.756 474 E HN 0.540 nan 8.360 nan 0.000 0.491 475 I N -2.273 118.378 120.570 0.136 0.000 3.974 475 I HA 0.286 4.456 4.170 -0.000 0.000 0.334 475 I C 1.765 177.940 176.117 0.097 0.000 1.437 475 I CA -0.256 61.140 61.300 0.160 0.000 1.113 475 I CB 0.268 38.300 38.000 0.053 0.000 1.063 475 I HN -0.192 nan 8.210 nan 0.000 0.400 476 E N 2.381 122.672 120.200 0.150 0.000 2.160 476 E HA -0.282 4.068 4.350 -0.000 0.000 0.195 476 E C 2.063 178.693 176.600 0.051 0.000 0.991 476 E CA 1.726 58.189 56.400 0.104 0.000 0.810 476 E CB -0.156 29.627 29.700 0.138 0.000 0.742 476 E HN 0.794 nan 8.360 nan 0.000 0.466 477 H N 0.220 119.286 119.070 -0.006 0.000 2.489 477 H HA -0.128 4.428 4.556 -0.000 0.000 0.295 477 H C 1.818 177.144 175.328 -0.004 0.000 1.082 477 H CA 0.856 56.903 56.048 -0.002 0.000 1.295 477 H CB -0.576 29.188 29.762 0.004 0.000 1.380 477 H HN 0.280 nan 8.280 nan 0.000 0.548 478 L N 0.836 121.644 121.223 -0.693 0.000 2.551 478 L HA -0.041 4.299 4.340 -0.000 0.000 0.228 478 L C 1.369 178.162 176.870 -0.129 0.000 1.153 478 L CA 0.370 54.872 54.840 -0.563 0.000 0.851 478 L CB -0.405 41.300 42.059 -0.591 0.000 0.959 478 L HN 0.323 nan 8.230 nan 0.000 0.451 479 N N 0.893 119.527 118.700 -0.110 0.000 3.178 479 N HA 0.034 4.774 4.740 -0.000 0.000 0.300 479 N C -0.425 175.062 175.510 -0.039 0.000 1.242 479 N CA -0.076 52.910 53.050 -0.106 0.000 1.192 479 N CB 0.205 38.495 38.487 -0.329 0.000 1.463 479 N HN 0.225 nan 8.380 nan 0.000 0.539 480 S N -0.859 114.923 115.700 0.136 0.000 2.672 480 S HA 0.308 4.778 4.470 -0.000 0.000 0.271 480 S C -0.699 173.994 174.600 0.154 0.000 1.171 480 S CA -0.869 57.412 58.200 0.136 0.000 0.817 480 S CB 1.243 64.517 63.200 0.123 0.000 1.150 480 S HN -0.089 nan 8.310 nan 0.000 0.478 481 V N 2.371 122.242 119.914 -0.070 0.000 2.583 481 V HA 0.390 4.510 4.120 -0.000 0.000 0.287 481 V C -2.312 173.384 176.094 -0.663 0.000 1.051 481 V CA -1.524 60.489 62.300 -0.477 0.000 1.010 481 V CB 0.592 32.233 31.823 -0.303 0.000 0.988 481 V HN 0.741 nan 8.190 nan 0.000 0.478 482 P HA 0.160 nan 4.420 nan 0.000 0.263 482 P C -2.559 174.382 177.300 -0.598 0.000 1.195 482 P CA -0.845 61.580 63.100 -1.124 0.000 0.762 482 P CB -0.136 31.116 31.700 -0.746 0.000 0.799 483 P HA -0.095 nan 4.420 nan 0.000 0.261 483 P C 0.992 178.196 177.300 -0.160 0.000 1.183 483 P CA 0.301 63.269 63.100 -0.220 0.000 0.761 483 P CB 0.342 31.960 31.700 -0.136 0.000 0.785 484 V N 1.728 121.591 119.914 -0.086 0.000 3.235 484 V HA -0.063 4.057 4.120 -0.000 0.000 0.259 484 V C 1.673 177.805 176.094 0.064 0.000 1.133 484 V CA 0.908 63.204 62.300 -0.007 0.000 1.128 484 V CB -0.839 31.021 31.823 0.063 0.000 0.757 484 V HN 0.237 nan 8.190 nan 0.000 0.469 485 K N 1.734 122.144 120.400 0.017 0.000 2.032 485 K HA -0.068 4.252 4.320 -0.000 0.000 0.209 485 K C 0.358 176.953 176.600 -0.010 0.000 1.048 485 K CA 2.057 58.344 56.287 0.000 0.000 0.927 485 K CB -2.072 30.414 32.500 -0.023 0.000 0.712 485 K HN 0.509 nan 8.250 nan 0.000 0.441 486 P HA 0.042 nan 4.420 nan 0.000 0.231 486 P C 0.406 177.663 177.300 -0.071 0.000 1.168 486 P CA 0.470 63.532 63.100 -0.064 0.000 0.779 486 P CB 0.207 31.849 31.700 -0.097 0.000 0.844 487 L N -0.602 120.597 121.223 -0.040 0.000 2.439 487 L HA 0.325 4.665 4.340 -0.000 0.000 0.259 487 L C 1.071 177.975 176.870 0.056 0.000 1.129 487 L CA -1.171 53.654 54.840 -0.026 0.000 0.803 487 L CB 0.502 42.539 42.059 -0.037 0.000 1.161 487 L HN -0.161 nan 8.230 nan 0.000 0.462 488 R N 0.603 121.129 120.500 0.043 0.000 2.590 488 R HA 0.159 4.499 4.340 -0.000 0.000 0.274 488 R C -0.532 175.815 176.300 0.078 0.000 1.061 488 R CA -0.086 56.057 56.100 0.071 0.000 1.081 488 R CB 0.446 30.775 30.300 0.048 0.000 0.984 488 R HN 0.535 nan 8.270 nan 0.000 0.448 489 H N 0.000 119.072 119.070 0.003 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 0.005 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