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 1uwu_1_B DATA FIRST_RESID 1 DATA SEQUENCE MYSFPNSFRF GWSQAGFQSE MGTPGSEDPN TDWYKWVHDP ENMAAGLVSG DATA SEQUENCE DLPENGPGYW GNYKTFHDNA QKMGLKIARL NVEWSRIFPN PLPRPXXFDE DATA SEQUENCE SKQDVTEVEI NENELKRLDE YANKDALNHY REIFKDLKSR GLYFILNMYH DATA SEQUENCE WPLPLWLHDP IRVRRGDFTG PSGWLSTRTV YEFARFSAYI AWKFDDLVDE DATA SEQUENCE YSTMNEPNVV GGLGYVGVKS GFPPGYLSFE LSRRAMYNII QAHARAYDGI DATA SEQUENCE KSVSKKPVGI IYANSSFQPL TDKDMEAVEM AENDNRWWFF DAIIRGEITR DATA SEQUENCE GNEKIVRDDL KGRLDWIGVN YYTRTVVKRT EKGYVSLGGY GHGCERNSVS DATA SEQUENCE LAGLPTSDFG WEFFPEGLYD VLTKYWNRYH LYMYVTENGI ADDADYQRPY DATA SEQUENCE YLVSHVYQVH RAINSGADVR GYLHWSLADN YEWASGFSMR FGLLKVDYNT DATA SEQUENCE KRLYWRPSAL VYREIATNGA ITDEIEHLNS VPPVKPLRH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.940 176.300 -0.600 0.000 1.140 1 M CA 0.000 55.126 55.300 -0.290 0.000 0.988 1 M CB 0.000 32.501 32.600 -0.165 0.000 1.302 2 Y N 2.020 122.224 120.300 -0.161 0.000 2.426 2 Y HA 0.595 5.145 4.550 0.000 0.000 0.325 2 Y C -0.197 175.549 175.900 -0.256 0.000 0.989 2 Y CA -0.587 57.223 58.100 -0.483 0.000 1.284 2 Y CB 2.178 40.219 38.460 -0.698 0.000 1.104 2 Y HN 0.603 nan 8.280 nan 0.000 0.481 3 S N 3.511 119.219 115.700 0.012 0.000 2.554 3 S HA 0.587 5.057 4.470 0.000 0.000 0.278 3 S C -0.671 173.982 174.600 0.089 0.000 1.242 3 S CA -0.468 57.817 58.200 0.141 0.000 1.051 3 S CB 0.397 63.658 63.200 0.102 0.000 0.986 3 S HN 0.362 nan 8.310 nan 0.000 0.502 4 F N 2.468 122.504 119.950 0.143 0.000 2.440 4 F HA 0.465 4.992 4.527 0.000 0.000 0.328 4 F C -1.725 174.088 175.800 0.020 0.000 1.070 4 F CA -2.039 55.959 58.000 -0.004 0.000 1.011 4 F CB 0.030 38.920 39.000 -0.182 0.000 1.226 4 F HN 0.347 nan 8.300 nan 0.000 0.491 5 P HA -0.014 nan 4.420 nan 0.000 0.267 5 P C 0.344 177.750 177.300 0.177 0.000 1.195 5 P CA 0.208 63.380 63.100 0.119 0.000 0.773 5 P CB 0.540 32.300 31.700 0.101 0.000 0.837 6 N N 0.257 119.026 118.700 0.114 0.000 2.364 6 N HA -0.112 4.629 4.740 0.000 0.000 0.183 6 N C 1.314 176.882 175.510 0.097 0.000 1.022 6 N CA 1.468 54.583 53.050 0.108 0.000 0.883 6 N CB -0.263 38.264 38.487 0.066 0.000 0.965 6 N HN 0.470 nan 8.380 nan 0.000 0.438 7 S N -0.861 114.885 115.700 0.077 0.000 2.524 7 S HA 0.075 4.545 4.470 0.000 0.000 0.216 7 S C 0.562 175.165 174.600 0.005 0.000 0.987 7 S CA -0.526 57.681 58.200 0.012 0.000 0.909 7 S CB -0.362 62.814 63.200 -0.040 0.000 0.781 7 S HN 0.176 nan 8.310 nan 0.000 0.521 8 F N 3.627 123.542 119.950 -0.058 0.000 2.529 8 F HA 0.407 4.934 4.527 0.000 0.000 0.365 8 F C 0.589 176.294 175.800 -0.157 0.000 1.102 8 F CA -0.486 57.446 58.000 -0.114 0.000 1.271 8 F CB 0.528 39.504 39.000 -0.040 0.000 1.120 8 F HN -0.014 nan 8.300 nan 0.000 0.579 9 R N 5.330 125.454 120.500 -0.626 0.000 2.637 9 R HA 0.457 4.798 4.340 0.000 0.000 0.291 9 R C -1.631 174.381 176.300 -0.480 0.000 0.963 9 R CA -0.812 55.081 56.100 -0.346 0.000 0.901 9 R CB 1.528 31.671 30.300 -0.261 0.000 1.160 9 R HN 0.464 nan 8.270 nan 0.000 0.457 10 F N 0.508 120.481 119.950 0.039 0.000 2.421 10 F HA 0.678 5.205 4.527 0.000 0.000 0.337 10 F C 1.058 176.951 175.800 0.155 0.000 1.105 10 F CA 0.085 58.183 58.000 0.163 0.000 1.049 10 F CB 2.079 41.126 39.000 0.078 0.000 1.139 10 F HN 0.676 nan 8.300 nan 0.000 0.479 11 G N 1.623 110.711 108.800 0.481 0.000 2.793 11 G HA2 0.511 4.471 3.960 0.000 0.000 0.248 11 G HA3 0.511 4.471 3.960 0.000 0.000 0.248 11 G C -2.269 173.020 174.900 0.648 0.000 1.198 11 G CA -0.616 44.761 45.100 0.461 0.000 0.865 11 G HN 0.751 nan 8.290 nan 0.000 0.534 12 W N -0.511 120.915 121.300 0.210 0.000 3.075 12 W HA 0.830 5.490 4.660 0.000 0.000 0.334 12 W C -1.014 175.573 176.519 0.115 0.000 1.243 12 W CA -0.941 56.510 57.345 0.177 0.000 1.170 12 W CB 1.303 30.852 29.460 0.149 0.000 1.452 12 W HN 0.580 nan 8.180 nan 0.000 0.572 13 S N 1.436 117.216 115.700 0.133 0.000 2.568 13 S HA 0.652 5.122 4.470 0.000 0.000 0.302 13 S C -1.333 173.269 174.600 0.003 0.000 1.082 13 S CA -0.704 57.532 58.200 0.060 0.000 1.009 13 S CB 1.841 65.270 63.200 0.382 0.000 1.069 13 S HN 0.548 nan 8.310 nan 0.000 0.500 14 Q N 0.163 119.969 119.800 0.008 0.000 2.472 14 Q HA 0.687 5.027 4.340 0.000 0.000 0.281 14 Q C -2.064 173.996 176.000 0.101 0.000 0.997 14 Q CA -0.693 55.019 55.803 -0.152 0.000 0.828 14 Q CB 1.888 30.617 28.738 -0.014 0.000 1.443 14 Q HN 0.795 nan 8.270 nan 0.000 0.390 15 A N 0.596 123.448 122.820 0.053 0.000 2.374 15 A HA 0.729 5.050 4.320 0.000 0.000 0.317 15 A C 0.589 178.196 177.584 0.038 0.000 1.094 15 A CA 0.091 52.080 52.037 -0.078 0.000 0.765 15 A CB 1.286 19.896 19.000 -0.649 0.000 1.268 15 A HN 0.894 nan 8.150 nan 0.000 0.438 16 G N 0.143 109.043 108.800 0.166 0.000 2.433 16 G HA2 -0.164 3.796 3.960 0.000 0.000 0.216 16 G HA3 -0.164 3.796 3.960 0.000 0.000 0.216 16 G C 1.250 176.288 174.900 0.230 0.000 1.186 16 G CA 1.489 46.767 45.100 0.295 0.000 0.779 16 G HN 0.767 nan 8.290 nan 0.000 0.543 17 F N 1.448 121.419 119.950 0.036 0.000 2.216 17 F HA -0.027 4.500 4.527 0.000 0.000 0.300 17 F C 2.899 178.604 175.800 -0.157 0.000 1.085 17 F CA 1.784 59.763 58.000 -0.034 0.000 1.326 17 F CB -0.008 38.971 39.000 -0.034 0.000 1.027 17 F HN 0.213 nan 8.300 nan 0.000 0.497 18 Q N -1.249 118.442 119.800 -0.182 0.000 2.212 18 Q HA -0.039 4.301 4.340 0.000 0.000 0.199 18 Q C 1.876 177.848 176.000 -0.047 0.000 0.950 18 Q CA 1.465 57.121 55.803 -0.246 0.000 0.863 18 Q CB 0.054 28.644 28.738 -0.248 0.000 0.944 18 Q HN 0.288 nan 8.270 nan 0.000 0.465 19 S N -0.217 115.490 115.700 0.013 0.000 2.554 19 S HA 0.064 4.534 4.470 0.000 0.000 0.227 19 S C 1.261 175.959 174.600 0.164 0.000 1.050 19 S CA -0.220 58.044 58.200 0.106 0.000 0.927 19 S CB 0.459 63.682 63.200 0.039 0.000 0.859 19 S HN 0.247 nan 8.310 nan 0.000 0.494 20 E N 1.457 121.760 120.200 0.172 0.000 2.047 20 E HA 0.021 4.371 4.350 0.000 0.000 0.191 20 E C 0.325 177.023 176.600 0.164 0.000 0.987 20 E CA 0.802 57.365 56.400 0.273 0.000 0.799 20 E CB -0.057 29.814 29.700 0.285 0.000 0.752 20 E HN 0.452 nan 8.360 nan 0.000 0.449 21 M N -0.832 118.787 119.600 0.031 0.000 2.228 21 M HA 0.228 4.708 4.480 0.000 0.000 0.326 21 M C 0.927 177.265 176.300 0.063 0.000 1.122 21 M CA 0.866 56.162 55.300 -0.007 0.000 1.161 21 M CB 1.198 33.750 32.600 -0.081 0.000 1.437 21 M HN 0.335 nan 8.290 nan 0.000 0.465 22 G N 0.099 108.934 108.800 0.058 0.000 2.813 22 G HA2 -0.133 3.827 3.960 0.000 0.000 0.194 22 G HA3 -0.133 3.827 3.960 0.000 0.000 0.194 22 G C 0.037 174.981 174.900 0.075 0.000 1.010 22 G CA -0.049 45.096 45.100 0.076 0.000 0.771 22 G HN 0.787 nan 8.290 nan 0.000 0.485 23 T N 0.618 115.225 114.554 0.089 0.000 2.928 23 T HA 0.658 5.008 4.350 0.000 0.000 0.284 23 T C -2.851 171.889 174.700 0.067 0.000 1.008 23 T CA -1.799 60.353 62.100 0.086 0.000 1.057 23 T CB 2.151 71.089 68.868 0.117 0.000 1.018 23 T HN 0.022 nan 8.240 nan 0.000 0.493 24 P HA 0.232 nan 4.420 nan 0.000 0.261 24 P C 1.157 178.483 177.300 0.044 0.000 1.173 24 P CA 1.215 64.338 63.100 0.039 0.000 0.760 24 P CB -0.022 31.700 31.700 0.036 0.000 0.783 25 G N 2.526 111.334 108.800 0.012 0.000 2.179 25 G HA2 -0.294 3.666 3.960 0.000 0.000 0.260 25 G HA3 -0.294 3.666 3.960 0.000 0.000 0.260 25 G C 0.908 175.765 174.900 -0.071 0.000 0.977 25 G CA 0.496 45.594 45.100 -0.004 0.000 0.641 25 G HN 0.618 nan 8.290 nan 0.000 0.533 26 S N -0.676 114.957 115.700 -0.113 0.000 2.535 26 S HA 0.344 4.814 4.470 0.000 0.000 0.214 26 S C 0.654 174.998 174.600 -0.427 0.000 0.980 26 S CA 0.760 58.726 58.200 -0.389 0.000 0.907 26 S CB 0.491 63.598 63.200 -0.156 0.000 0.790 26 S HN 0.701 nan 8.310 nan 0.000 0.510 27 E N 1.933 121.993 120.200 -0.233 0.000 2.415 27 E HA 0.013 4.363 4.350 0.000 0.000 0.263 27 E C -1.156 175.285 176.600 -0.266 0.000 0.995 27 E CA 0.043 56.332 56.400 -0.184 0.000 0.915 27 E CB 0.343 29.987 29.700 -0.093 0.000 0.951 27 E HN 0.195 nan 8.360 nan 0.000 0.449 28 D N 6.014 126.265 120.400 -0.249 0.000 2.438 28 D HA 0.200 4.840 4.640 0.000 0.000 0.257 28 D C -2.027 174.008 176.300 -0.442 0.000 1.148 28 D CA -2.227 51.622 54.000 -0.253 0.000 0.902 28 D CB 1.365 42.083 40.800 -0.137 0.000 1.062 28 D HN 0.239 nan 8.370 nan 0.000 0.518 29 P HA 0.097 nan 4.420 nan 0.000 0.249 29 P C -0.274 176.679 177.300 -0.579 0.000 1.229 29 P CA 0.146 62.443 63.100 -1.338 0.000 0.788 29 P CB -0.007 31.183 31.700 -0.850 0.000 1.072 30 N N 0.093 118.646 118.700 -0.244 0.000 2.327 30 N HA 0.067 4.807 4.740 0.000 0.000 0.231 30 N C 0.037 175.564 175.510 0.028 0.000 1.130 30 N CA -0.083 52.933 53.050 -0.056 0.000 0.845 30 N CB 0.169 38.653 38.487 -0.005 0.000 1.073 30 N HN 0.174 nan 8.380 nan 0.000 0.496 31 T N -2.962 111.654 114.554 0.102 0.000 2.932 31 T HA 0.173 4.523 4.350 0.000 0.000 0.289 31 T C 0.920 175.710 174.700 0.151 0.000 1.039 31 T CA -0.928 61.251 62.100 0.133 0.000 1.024 31 T CB 1.643 70.644 68.868 0.222 0.000 1.090 31 T HN -0.005 nan 8.240 nan 0.000 0.496 32 D N 0.391 120.828 120.400 0.063 0.000 2.116 32 D HA -0.208 4.432 4.640 0.000 0.000 0.193 32 D C 1.422 177.767 176.300 0.076 0.000 0.998 32 D CA 1.389 55.384 54.000 -0.008 0.000 0.836 32 D CB -0.672 40.044 40.800 -0.141 0.000 0.951 32 D HN 0.736 nan 8.370 nan 0.000 0.449 33 W N -0.208 121.099 121.300 0.012 0.000 2.388 33 W HA -0.095 4.565 4.660 0.000 0.000 0.294 33 W C 2.428 179.125 176.519 0.297 0.000 1.212 33 W CA 0.873 58.216 57.345 -0.004 0.000 1.271 33 W CB -0.606 28.538 29.460 -0.527 0.000 1.126 33 W HN 0.003 nan 8.180 nan 0.000 0.535 34 Y N 1.367 121.960 120.300 0.489 0.000 2.128 34 Y HA -0.300 4.250 4.550 0.000 0.000 0.284 34 Y C 2.539 178.714 175.900 0.459 0.000 1.154 34 Y CA 2.467 60.912 58.100 0.575 0.000 1.149 34 Y CB -0.654 38.048 38.460 0.404 0.000 0.976 34 Y HN -0.162 nan 8.280 nan 0.000 0.505 35 K N -0.263 120.423 120.400 0.476 0.000 2.057 35 K HA -0.253 4.067 4.320 0.000 0.000 0.207 35 K C 2.298 179.042 176.600 0.239 0.000 1.049 35 K CA 1.617 58.082 56.287 0.296 0.000 0.931 35 K CB -0.796 31.817 32.500 0.187 0.000 0.714 35 K HN 0.627 nan 8.250 nan 0.000 0.440 36 W N 1.680 122.993 121.300 0.022 0.000 2.335 36 W HA -0.217 4.443 4.660 0.000 0.000 0.311 36 W C 1.632 178.151 176.519 0.000 0.000 1.213 36 W CA 2.124 59.414 57.345 -0.092 0.000 1.274 36 W CB -0.104 29.154 29.460 -0.336 0.000 1.148 36 W HN 0.061 nan 8.180 nan 0.000 0.498 37 V N -1.838 118.228 119.914 0.253 0.000 3.217 37 V HA -0.124 3.996 4.120 0.000 0.000 0.264 37 V C 1.402 177.421 176.094 -0.126 0.000 1.135 37 V CA 1.860 64.234 62.300 0.122 0.000 1.142 37 V CB -1.079 30.976 31.823 0.387 0.000 0.754 37 V HN 0.100 nan 8.190 nan 0.000 0.484 38 H N 0.124 119.137 119.070 -0.096 0.000 2.553 38 H HA 0.292 4.848 4.556 0.000 0.000 0.265 38 H C 0.610 175.873 175.328 -0.110 0.000 0.964 38 H CA 0.280 56.252 56.048 -0.126 0.000 1.156 38 H CB 0.033 29.698 29.762 -0.163 0.000 1.411 38 H HN 0.571 nan 8.280 nan 0.000 0.558 39 D N 1.000 121.363 120.400 -0.063 0.000 2.401 39 D HA -0.022 4.618 4.640 0.000 0.000 0.254 39 D C -1.507 174.711 176.300 -0.136 0.000 1.192 39 D CA -1.479 52.449 54.000 -0.120 0.000 0.885 39 D CB 1.263 41.913 40.800 -0.251 0.000 1.147 39 D HN 0.024 nan 8.370 nan 0.000 0.478 40 P HA -0.153 nan 4.420 nan 0.000 0.215 40 P C 0.709 177.947 177.300 -0.103 0.000 1.153 40 P CA 1.214 64.268 63.100 -0.078 0.000 0.853 40 P CB 0.189 31.860 31.700 -0.049 0.000 0.788 41 E N -1.022 119.104 120.200 -0.123 0.000 2.072 41 E HA -0.147 4.204 4.350 0.000 0.000 0.191 41 E C 1.885 178.379 176.600 -0.178 0.000 0.985 41 E CA 0.788 57.110 56.400 -0.129 0.000 0.801 41 E CB -0.428 29.199 29.700 -0.122 0.000 0.750 41 E HN 0.191 nan 8.360 nan 0.000 0.452 42 N N 0.514 119.045 118.700 -0.282 0.000 2.104 42 N HA -0.151 4.589 4.740 0.000 0.000 0.190 42 N C 1.750 177.126 175.510 -0.223 0.000 1.024 42 N CA 1.215 54.044 53.050 -0.367 0.000 0.853 42 N CB -0.135 37.937 38.487 -0.692 0.000 1.008 42 N HN 0.189 nan 8.380 nan 0.000 0.424 43 M N 0.202 119.694 119.600 -0.179 0.000 2.086 43 M HA -0.077 4.403 4.480 0.000 0.000 0.261 43 M C 2.153 178.406 176.300 -0.079 0.000 1.067 43 M CA 1.550 56.783 55.300 -0.112 0.000 1.116 43 M CB -0.262 32.281 32.600 -0.096 0.000 1.348 43 M HN 0.141 nan 8.290 nan 0.000 0.407 44 A N 0.107 122.880 122.820 -0.078 0.000 2.015 44 A HA 0.039 4.359 4.320 0.000 0.000 0.219 44 A C 2.230 179.784 177.584 -0.049 0.000 1.163 44 A CA 1.659 53.663 52.037 -0.054 0.000 0.646 44 A CB -0.737 18.234 19.000 -0.050 0.000 0.806 44 A HN 0.512 nan 8.150 nan 0.000 0.448 45 A N -1.672 121.110 122.820 -0.063 0.000 2.167 45 A HA 0.381 4.701 4.320 0.000 0.000 0.214 45 A C 1.898 179.465 177.584 -0.028 0.000 1.151 45 A CA 1.261 53.269 52.037 -0.047 0.000 0.735 45 A CB -0.951 18.011 19.000 -0.062 0.000 0.802 45 A HN 1.844 nan 8.150 nan 0.000 0.467 46 G N -1.019 107.762 108.800 -0.032 0.000 2.153 46 G HA2 -0.295 3.665 3.960 0.000 0.000 0.252 46 G HA3 -0.295 3.665 3.960 0.000 0.000 0.252 46 G C 0.774 175.682 174.900 0.014 0.000 0.994 46 G CA 0.589 45.685 45.100 -0.007 0.000 0.698 46 G HN 0.448 nan 8.290 nan 0.000 0.521 47 L N -0.628 120.589 121.223 -0.011 0.000 2.141 47 L HA 0.153 4.493 4.340 0.000 0.000 0.209 47 L C 1.698 178.624 176.870 0.093 0.000 1.094 47 L CA 1.612 56.476 54.840 0.041 0.000 0.763 47 L CB -0.282 41.770 42.059 -0.013 0.000 0.908 47 L HN 0.521 nan 8.230 nan 0.000 0.437 48 V N -5.397 114.527 119.914 0.016 0.000 3.001 48 V HA 0.383 4.503 4.120 0.000 0.000 0.314 48 V C 0.964 177.076 176.094 0.030 0.000 1.099 48 V CA -0.228 62.114 62.300 0.070 0.000 0.989 48 V CB 1.621 33.460 31.823 0.027 0.000 1.040 48 V HN 0.100 nan 8.190 nan 0.000 0.434 49 S N 0.599 116.321 115.700 0.036 0.000 2.453 49 S HA 0.269 4.739 4.470 0.000 0.000 0.231 49 S C 1.666 176.258 174.600 -0.012 0.000 1.005 49 S CA 1.359 59.559 58.200 0.000 0.000 0.949 49 S CB -0.056 63.121 63.200 -0.038 0.000 0.774 49 S HN 2.743 nan 8.310 nan 0.000 0.510 50 G N 0.747 109.535 108.800 -0.019 0.000 2.232 50 G HA2 -0.187 3.773 3.960 0.000 0.000 0.226 50 G HA3 -0.187 3.773 3.960 0.000 0.000 0.226 50 G C -0.406 174.480 174.900 -0.024 0.000 0.996 50 G CA 0.016 45.095 45.100 -0.035 0.000 0.626 50 G HN 0.552 nan 8.290 nan 0.000 0.509 51 D N 0.802 121.209 120.400 0.011 0.000 2.399 51 D HA 0.554 5.194 4.640 0.000 0.000 0.241 51 D C 0.748 177.088 176.300 0.067 0.000 1.133 51 D CA 0.368 54.411 54.000 0.072 0.000 0.890 51 D CB 0.970 41.786 40.800 0.028 0.000 1.201 51 D HN 0.383 nan 8.370 nan 0.000 0.432 52 L N 3.118 124.332 121.223 -0.014 0.000 2.365 52 L HA 0.306 4.646 4.340 0.000 0.000 0.273 52 L C -1.480 175.117 176.870 -0.455 0.000 1.000 52 L CA -1.768 52.891 54.840 -0.301 0.000 0.819 52 L CB 2.515 44.419 42.059 -0.260 0.000 1.284 52 L HN 0.187 nan 8.230 nan 0.000 0.418 53 P HA -0.165 nan 4.420 nan 0.000 0.223 53 P C 0.815 177.936 177.300 -0.299 0.000 1.151 53 P CA 1.027 63.506 63.100 -1.035 0.000 0.787 53 P CB 0.157 31.014 31.700 -1.404 0.000 0.788 54 E N 0.639 120.774 120.200 -0.110 0.000 2.472 54 E HA -0.138 4.212 4.350 0.000 0.000 0.200 54 E C 0.314 176.932 176.600 0.030 0.000 1.046 54 E CA 0.702 57.112 56.400 0.016 0.000 0.871 54 E CB -1.280 28.493 29.700 0.122 0.000 0.806 54 E HN 0.395 nan 8.360 nan 0.000 0.533 55 N N 0.898 119.628 118.700 0.049 0.000 2.320 55 N HA 0.174 4.914 4.740 0.000 0.000 0.237 55 N C 0.446 175.874 175.510 -0.137 0.000 1.129 55 N CA 0.029 53.077 53.050 -0.004 0.000 0.854 55 N CB 1.020 39.501 38.487 -0.010 0.000 1.083 55 N HN 0.195 nan 8.380 nan 0.000 0.504 56 G N 1.253 110.086 108.800 0.056 0.000 2.509 56 G HA2 0.136 4.096 3.960 0.000 0.000 0.269 56 G HA3 0.136 4.096 3.960 0.000 0.000 0.269 56 G C -1.427 173.649 174.900 0.294 0.000 1.416 56 G CA -0.765 44.436 45.100 0.168 0.000 1.052 56 G HN -0.067 nan 8.290 nan 0.000 0.542 57 P HA 0.061 nan 4.420 nan 0.000 0.233 57 P C 0.980 178.462 177.300 0.304 0.000 1.167 57 P CA 1.252 64.546 63.100 0.323 0.000 0.770 57 P CB 0.282 32.218 31.700 0.394 0.000 0.837 58 G N 0.091 109.039 108.800 0.248 0.000 2.256 58 G HA2 -0.328 3.632 3.960 0.000 0.000 0.272 58 G HA3 -0.328 3.632 3.960 0.000 0.000 0.272 58 G C 0.373 175.376 174.900 0.171 0.000 1.076 58 G CA 0.162 45.383 45.100 0.202 0.000 0.882 58 G HN 0.268 nan 8.290 nan 0.000 0.497 59 Y N -0.824 119.420 120.300 -0.093 0.000 2.274 59 Y HA -0.057 4.493 4.550 0.000 0.000 0.290 59 Y C 2.381 178.276 175.900 -0.009 0.000 1.145 59 Y CA 2.162 60.004 58.100 -0.430 0.000 1.203 59 Y CB -0.165 37.966 38.460 -0.547 0.000 0.984 59 Y HN 0.548 nan 8.280 nan 0.000 0.533 60 W N 0.700 121.957 121.300 -0.071 0.000 2.318 60 W HA -0.232 4.428 4.660 0.000 0.000 0.313 60 W C 2.078 178.665 176.519 0.114 0.000 1.221 60 W CA 2.098 59.411 57.345 -0.053 0.000 1.266 60 W CB -0.745 28.651 29.460 -0.107 0.000 1.150 60 W HN 0.264 nan 8.180 nan 0.000 0.496 61 G N -0.811 108.118 108.800 0.214 0.000 2.539 61 G HA2 -0.173 3.787 3.960 0.000 0.000 0.215 61 G HA3 -0.173 3.787 3.960 0.000 0.000 0.215 61 G C 1.006 175.876 174.900 -0.050 0.000 1.141 61 G CA 0.377 45.542 45.100 0.109 0.000 0.806 61 G HN 0.119 nan 8.290 nan 0.000 0.533 62 N N 0.096 118.757 118.700 -0.065 0.000 2.214 62 N HA 0.088 4.828 4.740 0.000 0.000 0.214 62 N C 1.466 176.848 175.510 -0.213 0.000 1.132 62 N CA -0.310 52.680 53.050 -0.101 0.000 0.856 62 N CB 0.056 38.617 38.487 0.124 0.000 1.020 62 N HN 0.578 nan 8.380 nan 0.000 0.509 63 Y N 1.036 121.025 120.300 -0.518 0.000 2.181 63 Y HA -0.178 4.372 4.550 0.000 0.000 0.284 63 Y C 1.768 177.354 175.900 -0.523 0.000 1.179 63 Y CA 1.221 58.816 58.100 -0.841 0.000 1.179 63 Y CB -0.583 37.102 38.460 -1.292 0.000 0.973 63 Y HN -0.126 nan 8.280 nan 0.000 0.519 64 K N 0.059 119.995 120.400 -0.774 0.000 2.057 64 K HA -0.123 4.197 4.320 0.000 0.000 0.207 64 K C 2.091 178.634 176.600 -0.095 0.000 1.049 64 K CA 1.952 58.023 56.287 -0.360 0.000 0.931 64 K CB -0.469 31.778 32.500 -0.422 0.000 0.714 64 K HN 0.405 nan 8.250 nan 0.000 0.440 65 T N 1.078 115.586 114.554 -0.077 0.000 2.746 65 T HA -0.115 4.235 4.350 0.000 0.000 0.267 65 T C 1.579 176.335 174.700 0.092 0.000 1.039 65 T CA 1.218 63.328 62.100 0.016 0.000 1.142 65 T CB -0.282 68.589 68.868 0.006 0.000 0.866 65 T HN 0.053 nan 8.240 nan 0.000 0.444 66 F N 1.280 121.184 119.950 -0.077 0.000 2.095 66 F HA -0.084 4.443 4.527 0.000 0.000 0.298 66 F C 2.385 178.194 175.800 0.015 0.000 1.104 66 F CA 1.181 59.155 58.000 -0.045 0.000 1.232 66 F CB -0.797 38.267 39.000 0.108 0.000 0.987 66 F HN 0.413 nan 8.300 nan 0.000 0.475 67 H N -1.478 117.771 119.070 0.299 0.000 2.428 67 H HA -0.120 4.436 4.556 0.000 0.000 0.296 67 H C 1.716 177.119 175.328 0.125 0.000 1.062 67 H CA 0.677 56.867 56.048 0.237 0.000 1.350 67 H CB -0.027 29.901 29.762 0.276 0.000 1.403 67 H HN 0.118 nan 8.280 nan 0.000 0.533 68 D N 0.418 120.939 120.400 0.201 0.000 2.104 68 D HA -0.148 4.492 4.640 0.000 0.000 0.194 68 D C 1.841 178.218 176.300 0.127 0.000 0.994 68 D CA 0.866 54.942 54.000 0.126 0.000 0.830 68 D CB -0.246 40.596 40.800 0.071 0.000 0.959 68 D HN 0.350 nan 8.370 nan 0.000 0.452 69 N N 0.435 119.195 118.700 0.100 0.000 2.142 69 N HA -0.075 4.665 4.740 0.000 0.000 0.186 69 N C 1.774 177.297 175.510 0.022 0.000 1.023 69 N CA 1.055 54.181 53.050 0.127 0.000 0.852 69 N CB -0.153 38.329 38.487 -0.008 0.000 0.998 69 N HN 0.096 nan 8.380 nan 0.000 0.424 70 A N 1.230 124.000 122.820 -0.084 0.000 1.908 70 A HA -0.215 4.105 4.320 0.000 0.000 0.218 70 A C 2.202 179.831 177.584 0.074 0.000 1.181 70 A CA 1.529 53.506 52.037 -0.100 0.000 0.627 70 A CB -0.680 18.206 19.000 -0.190 0.000 0.818 70 A HN 0.382 nan 8.150 nan 0.000 0.445 71 Q N -0.320 119.555 119.800 0.125 0.000 2.046 71 Q HA -0.170 4.170 4.340 0.000 0.000 0.200 71 Q C 1.964 178.038 176.000 0.124 0.000 0.975 71 Q CA 1.735 57.613 55.803 0.125 0.000 0.836 71 Q CB -0.141 28.669 28.738 0.119 0.000 0.896 71 Q HN 0.650 nan 8.270 nan 0.000 0.428 72 K N -0.048 120.449 120.400 0.162 0.000 2.211 72 K HA -0.144 4.176 4.320 0.000 0.000 0.204 72 K C 1.818 178.592 176.600 0.291 0.000 1.047 72 K CA 1.348 57.759 56.287 0.206 0.000 0.935 72 K CB -0.082 32.574 32.500 0.260 0.000 0.728 72 K HN 0.329 nan 8.250 nan 0.000 0.452 73 M N -0.587 119.171 119.600 0.265 0.000 2.561 73 M HA 0.038 4.518 4.480 0.000 0.000 0.238 73 M C 0.367 176.684 176.300 0.029 0.000 1.131 73 M CA 0.669 56.074 55.300 0.175 0.000 1.046 73 M CB 0.600 33.141 32.600 -0.098 0.000 1.532 73 M HN 0.351 nan 8.290 nan 0.000 0.497 74 G N 1.522 110.355 108.800 0.055 0.000 2.136 74 G HA2 -0.230 3.730 3.960 0.000 0.000 0.242 74 G HA3 -0.230 3.730 3.960 0.000 0.000 0.242 74 G C -0.046 174.872 174.900 0.031 0.000 0.989 74 G CA 0.018 45.137 45.100 0.032 0.000 0.682 74 G HN 0.458 nan 8.290 nan 0.000 0.522 75 L N -0.553 120.703 121.223 0.054 0.000 2.439 75 L HA 0.431 4.771 4.340 0.000 0.000 0.269 75 L C 1.369 178.338 176.870 0.165 0.000 1.179 75 L CA 0.096 55.014 54.840 0.130 0.000 0.828 75 L CB 0.967 43.178 42.059 0.254 0.000 1.106 75 L HN 0.005 nan 8.230 nan 0.000 0.467 76 K N 2.443 122.939 120.400 0.161 0.000 2.517 76 K HA 0.435 4.755 4.320 0.000 0.000 0.210 76 K C -0.342 176.312 176.600 0.090 0.000 1.166 76 K CA -0.206 56.150 56.287 0.113 0.000 1.030 76 K CB 0.783 33.332 32.500 0.082 0.000 0.974 76 K HN 0.580 nan 8.250 nan 0.000 0.585 77 I N -0.431 120.193 120.570 0.089 0.000 2.827 77 I HA 0.713 4.883 4.170 0.000 0.000 0.298 77 I C -2.113 173.932 176.117 -0.119 0.000 1.235 77 I CA -0.993 60.312 61.300 0.010 0.000 1.021 77 I CB 2.077 40.036 38.000 -0.067 0.000 1.259 77 I HN 0.126 nan 8.210 nan 0.000 0.427 78 A N 6.373 129.035 122.820 -0.263 0.000 2.520 78 A HA 0.790 5.110 4.320 0.000 0.000 0.298 78 A C -1.558 175.815 177.584 -0.352 0.000 1.051 78 A CA -0.684 50.973 52.037 -0.633 0.000 0.690 78 A CB 1.892 20.288 19.000 -1.007 0.000 1.281 78 A HN 0.666 nan 8.150 nan 0.000 0.402 79 R N 2.683 122.954 120.500 -0.381 0.000 2.476 79 R HA 0.736 5.076 4.340 0.000 0.000 0.305 79 R C -2.237 174.015 176.300 -0.079 0.000 0.965 79 R CA -0.332 55.678 56.100 -0.151 0.000 0.867 79 R CB 0.692 30.943 30.300 -0.081 0.000 1.176 79 R HN 0.655 nan 8.270 nan 0.000 0.447 80 L N 3.192 124.450 121.223 0.058 0.000 2.327 80 L HA 0.528 4.868 4.340 0.000 0.000 0.258 80 L C -0.317 176.669 176.870 0.193 0.000 1.024 80 L CA -0.936 53.991 54.840 0.146 0.000 0.825 80 L CB 2.225 44.423 42.059 0.232 0.000 1.386 80 L HN 0.738 nan 8.230 nan 0.000 0.417 81 N N 0.005 118.866 118.700 0.269 0.000 2.362 81 N HA 0.545 5.285 4.740 0.000 0.000 0.299 81 N C -0.909 174.800 175.510 0.332 0.000 1.170 81 N CA -0.644 52.578 53.050 0.287 0.000 0.825 81 N CB 2.102 40.794 38.487 0.342 0.000 1.299 81 N HN 0.346 nan 8.380 nan 0.000 0.502 82 V N -1.679 118.368 119.914 0.223 0.000 2.546 82 V HA 0.381 4.501 4.120 0.000 0.000 0.284 82 V C 0.271 176.621 176.094 0.426 0.000 1.050 82 V CA -0.661 61.657 62.300 0.030 0.000 0.981 82 V CB 0.808 32.528 31.823 -0.171 0.000 0.990 82 V HN 0.571 nan 8.190 nan 0.000 0.474 83 E N 4.215 124.744 120.200 0.547 0.000 2.052 83 E HA 0.031 4.381 4.350 0.000 0.000 0.283 83 E C 0.371 177.327 176.600 0.593 0.000 1.071 83 E CA -0.275 56.464 56.400 0.565 0.000 0.851 83 E CB 0.833 30.831 29.700 0.496 0.000 1.066 83 E HN 1.013 nan 8.360 nan 0.000 0.396 84 W N 4.371 125.839 121.300 0.280 0.000 2.277 84 W HA -0.362 4.298 4.660 0.000 0.000 0.327 84 W C 1.998 178.560 176.519 0.073 0.000 1.284 84 W CA 2.655 59.879 57.345 -0.202 0.000 1.277 84 W CB -0.853 28.344 29.460 -0.438 0.000 1.141 84 W HN 0.527 nan 8.180 nan 0.000 0.482 85 S N 0.302 116.193 115.700 0.319 0.000 2.400 85 S HA -0.220 4.250 4.470 0.000 0.000 0.232 85 S C 1.877 176.625 174.600 0.246 0.000 1.025 85 S CA 1.571 59.891 58.200 0.199 0.000 0.993 85 S CB -0.697 62.584 63.200 0.135 0.000 0.808 85 S HN 0.478 nan 8.310 nan 0.000 0.478 86 R N 0.421 121.095 120.500 0.290 0.000 2.115 86 R HA 0.176 4.516 4.340 0.000 0.000 0.226 86 R C 1.996 178.453 176.300 0.262 0.000 1.100 86 R CA 1.156 57.398 56.100 0.235 0.000 0.980 86 R CB -0.362 30.093 30.300 0.258 0.000 0.875 86 R HN 0.411 nan 8.270 nan 0.000 0.445 87 I N -0.094 120.673 120.570 0.329 0.000 2.400 87 I HA -0.062 4.108 4.170 0.000 0.000 0.248 87 I C 0.553 176.506 176.117 -0.273 0.000 1.109 87 I CA 1.166 62.522 61.300 0.093 0.000 1.425 87 I CB -0.332 37.815 38.000 0.246 0.000 1.094 87 I HN -0.038 nan 8.210 nan 0.000 0.425 88 F N 2.598 122.823 119.950 0.458 0.000 2.449 88 F HA 0.363 4.890 4.527 0.000 0.000 0.329 88 F C -1.523 174.507 175.800 0.382 0.000 1.245 88 F CA -2.214 56.029 58.000 0.405 0.000 1.193 88 F CB 0.072 39.394 39.000 0.537 0.000 1.425 88 F HN -0.079 nan 8.300 nan 0.000 0.544 89 P HA -0.089 nan 4.420 nan 0.000 0.223 89 P C -0.290 177.136 177.300 0.210 0.000 1.151 89 P CA 1.039 64.294 63.100 0.258 0.000 0.787 89 P CB 0.353 32.135 31.700 0.136 0.000 0.788 90 N N -0.370 118.358 118.700 0.045 0.000 2.404 90 N HA 0.381 5.121 4.740 0.000 0.000 0.297 90 N C -2.786 172.187 175.510 -0.895 0.000 1.163 90 N CA -2.141 50.764 53.050 -0.243 0.000 0.864 90 N CB 0.740 39.168 38.487 -0.097 0.000 1.247 90 N HN -0.122 nan 8.380 nan 0.000 0.510 91 P HA 0.118 nan 4.420 nan 0.000 0.272 91 P C -0.748 175.843 177.300 -1.182 0.000 1.223 91 P CA 0.005 62.026 63.100 -1.799 0.000 0.784 91 P CB 0.654 31.878 31.700 -0.793 0.000 0.923 92 L N 3.169 123.631 121.223 -1.268 0.000 2.387 92 L HA 0.465 4.805 4.340 0.000 0.000 0.266 92 L C -1.805 174.751 176.870 -0.523 0.000 1.059 92 L CA -2.222 52.151 54.840 -0.778 0.000 0.801 92 L CB 0.126 41.853 42.059 -0.554 0.000 1.223 92 L HN 0.266 nan 8.230 nan 0.000 0.456 93 P HA 0.106 nan 4.420 nan 0.000 0.265 93 P C -0.414 176.783 177.300 -0.172 0.000 1.193 93 P CA -0.233 62.707 63.100 -0.267 0.000 0.765 93 P CB 0.278 31.845 31.700 -0.222 0.000 0.823 94 R N 4.509 124.942 120.500 -0.112 0.000 2.502 94 R HA 0.213 4.553 4.340 0.000 0.000 0.292 94 R C -1.429 174.814 176.300 -0.095 0.000 0.998 94 R CA -0.798 55.253 56.100 -0.082 0.000 1.056 94 R CB -1.880 28.398 30.300 -0.036 0.000 0.939 94 R HN 0.547 nan 8.270 nan 0.000 0.411 99 D N 4.934 124.886 120.400 -0.746 0.000 2.454 99 D HA 0.366 5.006 4.640 0.000 0.000 0.225 99 D C 0.933 176.750 176.300 -0.805 0.000 1.081 99 D CA 0.796 54.453 54.000 -0.571 0.000 0.864 99 D CB 1.670 42.289 40.800 -0.302 0.000 1.040 99 D HN 0.825 nan 8.370 nan 0.000 0.517 100 E N 1.857 121.691 120.200 -0.610 0.000 2.333 100 E HA -0.156 4.195 4.350 0.000 0.000 0.198 100 E C 1.691 178.176 176.600 -0.191 0.000 1.007 100 E CA 1.368 57.552 56.400 -0.360 0.000 0.845 100 E CB -0.577 nan 29.700 nan 0.000 0.766 100 E HN 0.521 nan 8.360 nan 0.000 0.507 101 S N -0.450 115.141 115.700 -0.182 0.000 2.461 101 S HA 0.003 4.473 4.470 0.000 0.000 0.228 101 S C 1.203 175.743 174.600 -0.101 0.000 1.005 101 S CA 0.486 58.620 58.200 -0.110 0.000 0.942 101 S CB -0.119 63.025 63.200 -0.092 0.000 0.776 101 S HN 0.228 nan 8.310 nan 0.000 0.514 102 K N 2.007 122.323 120.400 -0.141 0.000 2.416 102 K HA 0.195 4.515 4.320 0.000 0.000 0.283 102 K C 1.168 177.752 176.600 -0.027 0.000 1.037 102 K CA 0.070 56.304 56.287 -0.089 0.000 0.995 102 K CB 0.997 33.429 32.500 -0.113 0.000 0.938 102 K HN 0.655 nan 8.250 nan 0.000 0.475 103 Q N 1.215 121.022 119.800 0.011 0.000 2.046 103 Q HA -0.141 4.199 4.340 0.000 0.000 0.200 103 Q C -0.266 175.846 176.000 0.186 0.000 0.975 103 Q CA 1.674 57.520 55.803 0.072 0.000 0.836 103 Q CB 0.253 29.002 28.738 0.019 0.000 0.896 103 Q HN 0.666 nan 8.270 nan 0.000 0.428 104 D N -0.155 120.337 120.400 0.153 0.000 2.175 104 D HA 0.252 4.892 4.640 0.000 0.000 0.248 104 D C -1.252 175.122 176.300 0.122 0.000 1.047 104 D CA -0.280 53.819 54.000 0.164 0.000 0.883 104 D CB 1.996 42.876 40.800 0.133 0.000 1.180 104 D HN -0.093 nan 8.370 nan 0.000 0.438 105 V N 2.194 122.182 119.914 0.124 0.000 2.284 105 V HA 0.159 4.279 4.120 0.000 0.000 0.274 105 V C 1.279 177.424 176.094 0.085 0.000 1.023 105 V CA -0.417 61.974 62.300 0.152 0.000 0.808 105 V CB 0.788 32.745 31.823 0.223 0.000 1.035 105 V HN 0.763 nan 8.190 nan 0.000 0.445 106 T N 0.304 114.901 114.554 0.072 0.000 3.054 106 T HA 0.183 4.533 4.350 0.000 0.000 0.259 106 T C 0.436 175.156 174.700 0.032 0.000 1.092 106 T CA 0.338 62.458 62.100 0.034 0.000 1.121 106 T CB 0.574 69.460 68.868 0.029 0.000 0.912 106 T HN 0.609 nan 8.240 nan 0.000 0.489 107 E N -0.044 120.193 120.200 0.062 0.000 2.352 107 E HA 0.535 4.885 4.350 0.000 0.000 0.280 107 E C -2.212 174.434 176.600 0.077 0.000 0.930 107 E CA -0.884 55.545 56.400 0.048 0.000 0.765 107 E CB 2.519 32.245 29.700 0.043 0.000 1.219 107 E HN 0.011 nan 8.360 nan 0.000 0.434 108 V N 3.598 123.521 119.914 0.015 0.000 2.419 108 V HA 0.257 4.377 4.120 0.000 0.000 0.287 108 V C -0.401 175.654 176.094 -0.064 0.000 1.017 108 V CA -0.765 61.516 62.300 -0.032 0.000 0.844 108 V CB 1.517 33.220 31.823 -0.201 0.000 1.011 108 V HN 0.694 nan 8.190 nan 0.000 0.429 109 E N 4.446 124.640 120.200 -0.011 0.000 2.257 109 E HA 0.457 4.807 4.350 0.000 0.000 0.278 109 E C -1.186 175.370 176.600 -0.074 0.000 1.049 109 E CA -0.089 56.294 56.400 -0.029 0.000 0.876 109 E CB 0.957 30.662 29.700 0.009 0.000 1.035 109 E HN 0.554 nan 8.360 nan 0.000 0.419 110 I N 4.328 124.835 120.570 -0.104 0.000 2.499 110 I HA 0.230 4.401 4.170 0.000 0.000 0.288 110 I C -0.409 175.628 176.117 -0.133 0.000 1.048 110 I CA -0.710 60.508 61.300 -0.138 0.000 1.062 110 I CB 1.762 39.651 38.000 -0.185 0.000 1.238 110 I HN 0.463 nan 8.210 nan 0.000 0.426 111 N N 2.948 121.565 118.700 -0.139 0.000 2.761 111 N HA 0.356 5.096 4.740 0.000 0.000 0.283 111 N C 0.261 175.649 175.510 -0.204 0.000 1.377 111 N CA -0.913 52.055 53.050 -0.137 0.000 0.791 111 N CB 0.815 39.254 38.487 -0.081 0.000 1.540 111 N HN 0.460 nan 8.380 nan 0.000 0.539 112 E N -0.638 119.456 120.200 -0.176 0.000 2.110 112 E HA -0.168 4.182 4.350 0.000 0.000 0.193 112 E C 0.522 177.009 176.600 -0.189 0.000 0.988 112 E CA 1.104 57.370 56.400 -0.223 0.000 0.804 112 E CB -0.110 29.549 29.700 -0.070 0.000 0.745 112 E HN 0.456 nan 8.360 nan 0.000 0.458 113 N N 0.871 119.513 118.700 -0.098 0.000 2.084 113 N HA -0.162 4.578 4.740 0.000 0.000 0.190 113 N C 1.693 177.163 175.510 -0.067 0.000 1.030 113 N CA 0.738 53.757 53.050 -0.052 0.000 0.849 113 N CB -0.314 38.161 38.487 -0.020 0.000 1.012 113 N HN 0.195 nan 8.380 nan 0.000 0.423 114 E N 0.955 121.099 120.200 -0.093 0.000 2.085 114 E HA -0.133 4.217 4.350 0.000 0.000 0.194 114 E C 2.138 178.664 176.600 -0.124 0.000 0.994 114 E CA 0.678 57.027 56.400 -0.085 0.000 0.801 114 E CB -0.158 29.486 29.700 -0.094 0.000 0.743 114 E HN 0.330 nan 8.360 nan 0.000 0.453 115 L N 0.363 121.414 121.223 -0.286 0.000 2.046 115 L HA -0.208 4.132 4.340 0.000 0.000 0.208 115 L C 2.599 179.325 176.870 -0.239 0.000 1.077 115 L CA 1.324 55.892 54.840 -0.454 0.000 0.747 115 L CB -0.279 40.992 42.059 -1.313 0.000 0.896 115 L HN 0.016 nan 8.230 nan 0.000 0.432 116 K N -0.452 119.847 120.400 -0.168 0.000 2.147 116 K HA -0.142 4.178 4.320 0.000 0.000 0.205 116 K C 2.282 178.971 176.600 0.148 0.000 1.049 116 K CA 1.089 57.452 56.287 0.127 0.000 0.936 116 K CB -0.038 32.540 32.500 0.130 0.000 0.722 116 K HN 0.200 nan 8.250 nan 0.000 0.446 117 R N 0.574 121.131 120.500 0.094 0.000 2.066 117 R HA -0.043 4.297 4.340 0.000 0.000 0.232 117 R C 2.302 178.745 176.300 0.239 0.000 1.131 117 R CA 1.118 57.302 56.100 0.141 0.000 0.955 117 R CB -0.344 30.029 30.300 0.121 0.000 0.851 117 R HN 0.140 nan 8.270 nan 0.000 0.432 118 L N 0.593 121.924 121.223 0.180 0.000 2.043 118 L HA -0.259 4.082 4.340 0.000 0.000 0.212 118 L C 2.024 179.061 176.870 0.278 0.000 1.075 118 L CA 1.504 56.444 54.840 0.166 0.000 0.752 118 L CB -0.491 41.541 42.059 -0.044 0.000 0.891 118 L HN 0.226 nan 8.230 nan 0.000 0.432 119 D N -0.040 120.567 120.400 0.344 0.000 2.221 119 D HA -0.209 4.431 4.640 0.000 0.000 0.204 119 D C 1.977 178.433 176.300 0.259 0.000 0.982 119 D CA 1.084 55.361 54.000 0.461 0.000 0.857 119 D CB 0.138 41.312 40.800 0.623 0.000 0.934 119 D HN 0.361 nan 8.370 nan 0.000 0.475 120 E N -1.393 118.883 120.200 0.126 0.000 2.204 120 E HA -0.162 4.188 4.350 0.000 0.000 0.194 120 E C 1.184 177.638 176.600 -0.243 0.000 0.989 120 E CA 0.663 56.989 56.400 -0.122 0.000 0.824 120 E CB -0.050 29.451 29.700 -0.332 0.000 0.756 120 E HN 0.534 nan 8.360 nan 0.000 0.477 121 Y N 0.168 120.575 120.300 0.179 0.000 2.500 121 Y HA 0.265 4.815 4.550 0.000 0.000 0.270 121 Y C 0.937 176.997 175.900 0.267 0.000 1.134 121 Y CA -0.212 58.016 58.100 0.212 0.000 1.293 121 Y CB 0.295 38.874 38.460 0.198 0.000 1.063 121 Y HN -0.103 nan 8.280 nan 0.000 0.534 122 A N 1.071 124.074 122.820 0.306 0.000 2.388 122 A HA 0.091 4.411 4.320 0.000 0.000 0.257 122 A C 0.276 177.868 177.584 0.014 0.000 1.095 122 A CA -0.483 51.500 52.037 -0.090 0.000 0.791 122 A CB 0.021 18.962 19.000 -0.098 0.000 1.029 122 A HN 0.323 nan 8.150 nan 0.000 0.489 123 N N 1.264 119.951 118.700 -0.022 0.000 2.420 123 N HA 0.028 4.769 4.740 0.000 0.000 0.262 123 N C 0.450 176.025 175.510 0.109 0.000 1.144 123 N CA -0.255 52.835 53.050 0.067 0.000 0.952 123 N CB 0.748 39.285 38.487 0.084 0.000 1.081 123 N HN 0.461 nan 8.380 nan 0.000 0.480 124 K N 2.697 123.157 120.400 0.100 0.000 2.116 124 K HA -0.032 4.288 4.320 0.000 0.000 0.203 124 K C 0.867 177.536 176.600 0.116 0.000 1.052 124 K CA 0.898 57.248 56.287 0.104 0.000 0.952 124 K CB -0.028 32.516 32.500 0.073 0.000 0.729 124 K HN 0.548 nan 8.250 nan 0.000 0.446 125 D N 0.998 121.466 120.400 0.113 0.000 2.097 125 D HA -0.104 4.536 4.640 0.000 0.000 0.195 125 D C 1.785 178.203 176.300 0.196 0.000 0.989 125 D CA 1.494 55.571 54.000 0.128 0.000 0.827 125 D CB -0.091 40.776 40.800 0.111 0.000 0.966 125 D HN 0.133 nan 8.370 nan 0.000 0.456 126 A N 0.615 123.577 122.820 0.238 0.000 1.877 126 A HA -0.126 4.194 4.320 0.000 0.000 0.216 126 A C 2.417 180.250 177.584 0.414 0.000 1.186 126 A CA 0.946 53.202 52.037 0.365 0.000 0.620 126 A CB -0.861 18.346 19.000 0.345 0.000 0.822 126 A HN 0.202 nan 8.150 nan 0.000 0.443 127 L N -0.549 120.894 121.223 0.367 0.000 2.012 127 L HA -0.259 4.081 4.340 0.000 0.000 0.210 127 L C 2.404 179.445 176.870 0.286 0.000 1.073 127 L CA 1.942 57.026 54.840 0.407 0.000 0.748 127 L CB -0.617 41.596 42.059 0.257 0.000 0.891 127 L HN 0.519 nan 8.230 nan 0.000 0.431 128 N N -1.661 117.129 118.700 0.151 0.000 2.188 128 N HA -0.233 4.507 4.740 0.000 0.000 0.184 128 N C 1.830 177.327 175.510 -0.022 0.000 1.018 128 N CA 0.931 54.012 53.050 0.053 0.000 0.858 128 N CB -0.130 38.376 38.487 0.031 0.000 0.989 128 N HN 0.328 nan 8.380 nan 0.000 0.426 129 H N -0.449 118.532 119.070 -0.148 0.000 2.321 129 H HA -0.114 4.442 4.556 0.000 0.000 0.300 129 H C 1.457 176.389 175.328 -0.661 0.000 1.087 129 H CA 1.711 57.478 56.048 -0.468 0.000 1.319 129 H CB -0.034 29.337 29.762 -0.651 0.000 1.379 129 H HN 0.243 nan 8.280 nan 0.000 0.501 130 Y N 0.471 120.564 120.300 -0.345 0.000 2.165 130 Y HA -0.216 4.334 4.550 0.000 0.000 0.286 130 Y C 2.884 178.317 175.900 -0.778 0.000 1.155 130 Y CA 1.731 59.400 58.100 -0.717 0.000 1.164 130 Y CB -0.456 37.709 38.460 -0.493 0.000 0.978 130 Y HN 0.179 nan 8.280 nan 0.000 0.513 131 R N 0.599 121.111 120.500 0.019 0.000 2.091 131 R HA -0.194 4.146 4.340 0.000 0.000 0.238 131 R C 1.985 178.211 176.300 -0.123 0.000 1.136 131 R CA 2.039 58.207 56.100 0.115 0.000 0.959 131 R CB -0.218 30.137 30.300 0.093 0.000 0.856 131 R HN 0.406 nan 8.270 nan 0.000 0.437 132 E N 0.044 120.065 120.200 -0.299 0.000 2.110 132 E HA -0.180 4.171 4.350 0.000 0.000 0.193 132 E C 2.031 178.353 176.600 -0.464 0.000 0.988 132 E CA 1.488 57.681 56.400 -0.344 0.000 0.804 132 E CB -0.080 29.358 29.700 -0.437 0.000 0.745 132 E HN 0.435 nan 8.360 nan 0.000 0.458 133 I N 0.437 120.501 120.570 -0.844 0.000 2.163 133 I HA -0.245 3.925 4.170 0.000 0.000 0.240 133 I C 1.983 178.032 176.117 -0.113 0.000 1.081 133 I CA 0.938 61.721 61.300 -0.861 0.000 1.353 133 I CB -0.240 37.177 38.000 -0.972 0.000 1.054 133 I HN 0.057 nan 8.210 nan 0.000 0.407 134 F N 1.094 120.920 119.950 -0.207 0.000 2.234 134 F HA -0.174 4.353 4.527 0.000 0.000 0.299 134 F C 2.754 178.438 175.800 -0.193 0.000 1.087 134 F CA 0.948 58.781 58.000 -0.278 0.000 1.340 134 F CB -1.573 37.318 39.000 -0.180 0.000 1.031 134 F HN -0.093 nan 8.300 nan 0.000 0.500 135 K N 0.373 120.823 120.400 0.084 0.000 2.057 135 K HA -0.194 4.126 4.320 0.000 0.000 0.206 135 K C 1.819 178.439 176.600 0.033 0.000 1.050 135 K CA 1.699 58.013 56.287 0.045 0.000 0.935 135 K CB -0.923 31.596 32.500 0.031 0.000 0.715 135 K HN 0.401 nan 8.250 nan 0.000 0.439 136 D N -0.344 120.100 120.400 0.074 0.000 2.117 136 D HA -0.135 4.505 4.640 0.000 0.000 0.197 136 D C 1.999 178.331 176.300 0.054 0.000 0.987 136 D CA 1.395 55.484 54.000 0.148 0.000 0.829 136 D CB -0.172 40.847 40.800 0.364 0.000 0.961 136 D HN 0.264 nan 8.370 nan 0.000 0.460 137 L N 0.549 121.714 121.223 -0.096 0.000 1.989 137 L HA -0.170 4.170 4.340 0.000 0.000 0.211 137 L C 1.917 178.654 176.870 -0.221 0.000 1.071 137 L CA 1.680 56.260 54.840 -0.434 0.000 0.749 137 L CB -0.367 41.374 42.059 -0.530 0.000 0.890 137 L HN -0.109 nan 8.230 nan 0.000 0.431 138 K N -0.084 120.226 120.400 -0.150 0.000 2.147 138 K HA -0.077 4.243 4.320 0.000 0.000 0.205 138 K C 2.302 178.887 176.600 -0.025 0.000 1.049 138 K CA 1.352 57.594 56.287 -0.076 0.000 0.936 138 K CB -0.844 31.630 32.500 -0.043 0.000 0.722 138 K HN 0.642 nan 8.250 nan 0.000 0.446 139 S N 0.852 116.547 115.700 -0.009 0.000 2.507 139 S HA -0.056 4.414 4.470 0.000 0.000 0.235 139 S C 1.440 176.055 174.600 0.025 0.000 0.988 139 S CA 0.400 58.610 58.200 0.016 0.000 0.944 139 S CB 0.011 63.229 63.200 0.029 0.000 0.762 139 S HN 0.101 nan 8.310 nan 0.000 0.526 140 R N 0.939 121.451 120.500 0.019 0.000 2.310 140 R HA 0.299 4.639 4.340 0.000 0.000 0.202 140 R C 1.603 177.932 176.300 0.049 0.000 0.933 140 R CA 0.366 56.494 56.100 0.046 0.000 1.054 140 R CB -1.352 28.987 30.300 0.066 0.000 0.985 140 R HN 0.623 nan 8.270 nan 0.000 0.489 141 G N 1.375 110.196 108.800 0.036 0.000 2.160 141 G HA2 -0.276 3.684 3.960 0.000 0.000 0.251 141 G HA3 -0.276 3.684 3.960 0.000 0.000 0.251 141 G C -0.089 174.848 174.900 0.061 0.000 1.008 141 G CA -0.018 45.111 45.100 0.048 0.000 0.724 141 G HN 0.266 nan 8.290 nan 0.000 0.514 142 L N 0.137 121.383 121.223 0.038 0.000 2.281 142 L HA 0.458 4.798 4.340 0.000 0.000 0.285 142 L C 0.856 177.760 176.870 0.057 0.000 1.074 142 L CA -1.250 53.617 54.840 0.045 0.000 0.817 142 L CB 0.666 42.723 42.059 -0.004 0.000 1.168 142 L HN 0.239 nan 8.230 nan 0.000 0.434 143 Y N 3.975 124.242 120.300 -0.054 0.000 2.497 143 Y HA 0.131 4.681 4.550 0.000 0.000 0.334 143 Y C -0.526 175.338 175.900 -0.060 0.000 1.199 143 Y CA 0.094 58.154 58.100 -0.066 0.000 1.425 143 Y CB 0.582 38.984 38.460 -0.097 0.000 1.291 143 Y HN 0.379 nan 8.280 nan 0.000 0.562 144 F N 7.867 127.522 119.950 -0.492 0.000 2.403 144 F HA 0.457 4.984 4.527 0.000 0.000 0.355 144 F C -1.247 174.230 175.800 -0.539 0.000 1.119 144 F CA -2.089 55.629 58.000 -0.470 0.000 1.007 144 F CB 0.287 39.018 39.000 -0.448 0.000 1.194 144 F HN 0.333 nan 8.300 nan 0.000 0.443 145 I N 7.378 127.681 120.570 -0.444 0.000 2.297 145 I HA 0.167 4.337 4.170 0.000 0.000 0.291 145 I C -0.732 174.913 176.117 -0.786 0.000 1.033 145 I CA -0.823 60.134 61.300 -0.571 0.000 1.253 145 I CB 1.103 38.899 38.000 -0.340 0.000 1.396 145 I HN 0.365 nan 8.210 nan 0.000 0.476 146 L N 7.712 128.275 121.223 -1.100 0.000 2.265 146 L HA 0.376 4.716 4.340 0.000 0.000 0.288 146 L C -0.220 176.513 176.870 -0.229 0.000 1.058 146 L CA 0.134 54.452 54.840 -0.870 0.000 0.809 146 L CB 0.780 42.233 42.059 -1.011 0.000 1.179 146 L HN 0.527 nan 8.230 nan 0.000 0.429 147 N N 4.374 123.050 118.700 -0.040 0.000 2.443 147 N HA 0.310 5.050 4.740 0.000 0.000 0.295 147 N C 0.486 176.133 175.510 0.228 0.000 1.076 147 N CA -0.490 52.647 53.050 0.145 0.000 0.919 147 N CB 1.076 39.676 38.487 0.189 0.000 1.176 147 N HN 0.564 nan 8.380 nan 0.000 0.487 148 M N 1.368 121.164 119.600 0.327 0.000 2.476 148 M HA 0.111 4.591 4.480 0.000 0.000 0.262 148 M C -0.554 176.203 176.300 0.761 0.000 1.111 148 M CA 0.687 56.244 55.300 0.429 0.000 1.127 148 M CB -0.796 31.989 32.600 0.307 0.000 1.376 148 M HN 0.615 nan 8.290 nan 0.000 0.465 149 Y N -0.428 120.196 120.300 0.540 0.000 2.399 149 Y HA 0.333 4.883 4.550 0.000 0.000 0.327 149 Y C -0.951 175.209 175.900 0.432 0.000 1.111 149 Y CA -1.307 57.129 58.100 0.559 0.000 1.047 149 Y CB 0.873 39.657 38.460 0.541 0.000 1.259 149 Y HN 0.241 nan 8.280 nan 0.000 0.434 150 H N 6.645 125.542 119.070 -0.288 0.000 2.825 150 H HA 0.259 4.815 4.556 0.000 0.000 0.226 150 H C -0.809 174.201 175.328 -0.530 0.000 1.414 150 H CA -0.205 55.573 56.048 -0.450 0.000 1.198 150 H CB 0.090 29.734 29.762 -0.197 0.000 2.013 150 H HN 0.773 nan 8.280 nan 0.000 0.530 151 W N -3.041 117.719 121.300 -0.899 0.000 0.243 151 W HA -0.189 4.471 4.660 0.000 0.000 0.214 151 W C -2.350 174.222 176.519 0.089 0.000 0.913 151 W CA 0.342 57.402 57.345 -0.475 0.000 0.324 151 W CB -2.642 26.555 29.460 -0.438 0.000 1.905 151 W HN 0.341 nan 8.180 nan 0.000 1.026 152 P HA 0.283 nan 4.420 nan 0.000 0.268 152 P C 0.154 177.728 177.300 0.456 0.000 1.204 152 P CA 0.730 64.080 63.100 0.416 0.000 0.768 152 P CB 0.326 32.141 31.700 0.191 0.000 0.842 153 L N 5.781 127.162 121.223 0.263 0.000 2.334 153 L HA 0.509 4.849 4.340 0.000 0.000 0.273 153 L C -2.220 174.484 176.870 -0.278 0.000 1.013 153 L CA -2.834 51.956 54.840 -0.083 0.000 0.816 153 L CB 1.772 43.666 42.059 -0.275 0.000 1.278 153 L HN 0.150 nan 8.230 nan 0.000 0.431 154 P HA 0.020 nan 4.420 nan 0.000 0.265 154 P C 0.775 177.786 177.300 -0.481 0.000 1.193 154 P CA 0.067 62.825 63.100 -0.571 0.000 0.765 154 P CB 0.578 31.651 31.700 -1.044 0.000 0.823 155 L N 2.733 123.844 121.223 -0.186 0.000 2.189 155 L HA -0.157 4.183 4.340 0.000 0.000 0.214 155 L C 2.027 178.850 176.870 -0.079 0.000 1.097 155 L CA 1.340 56.123 54.840 -0.095 0.000 0.764 155 L CB -0.625 41.437 42.059 0.005 0.000 0.900 155 L HN 0.647 nan 8.230 nan 0.000 0.436 156 W N -1.153 120.072 121.300 -0.124 0.000 2.699 156 W HA -0.023 4.637 4.660 0.000 0.000 0.249 156 W C 1.230 177.663 176.519 -0.143 0.000 1.280 156 W CA 0.231 57.508 57.345 -0.114 0.000 1.345 156 W CB -0.496 28.904 29.460 -0.101 0.000 1.128 156 W HN 0.178 nan 8.180 nan 0.000 0.642 157 L N -0.385 120.453 121.223 -0.642 0.000 2.556 157 L HA 0.262 4.602 4.340 0.000 0.000 0.226 157 L C 0.293 176.977 176.870 -0.310 0.000 1.089 157 L CA 0.530 54.991 54.840 -0.632 0.000 0.864 157 L CB -0.134 41.246 42.059 -1.130 0.000 1.067 157 L HN -0.008 nan 8.230 nan 0.000 0.477 158 H N -0.038 118.823 119.070 -0.349 0.000 3.240 158 H HA 0.096 4.652 4.556 0.000 0.000 0.329 158 H C -1.602 173.636 175.328 -0.149 0.000 1.024 158 H CA -0.636 55.270 56.048 -0.236 0.000 1.487 158 H CB 1.649 31.246 29.762 -0.274 0.000 1.909 158 H HN -0.135 nan 8.280 nan 0.000 0.465 159 D N 7.536 127.837 120.400 -0.165 0.000 2.443 159 D HA 0.129 4.769 4.640 0.000 0.000 0.221 159 D C -1.723 174.347 176.300 -0.384 0.000 1.097 159 D CA -2.475 51.392 54.000 -0.221 0.000 0.865 159 D CB 1.820 42.563 40.800 -0.096 0.000 1.034 159 D HN 0.342 nan 8.370 nan 0.000 0.511 160 P HA -0.068 nan 4.420 nan 0.000 0.225 160 P C 1.558 178.818 177.300 -0.066 0.000 1.156 160 P CA 0.200 62.984 63.100 -0.527 0.000 0.787 160 P CB 0.658 32.051 31.700 -0.512 0.000 0.802 161 I N 0.310 120.876 120.570 -0.007 0.000 2.286 161 I HA -0.092 4.078 4.170 0.000 0.000 0.245 161 I C 2.789 178.885 176.117 -0.035 0.000 1.104 161 I CA 0.975 62.290 61.300 0.026 0.000 1.397 161 I CB -1.463 36.529 38.000 -0.014 0.000 1.072 161 I HN -0.033 nan 8.210 nan 0.000 0.417 162 R N 0.810 121.261 120.500 -0.082 0.000 2.096 162 R HA -0.155 4.185 4.340 0.000 0.000 0.240 162 R C 2.361 178.534 176.300 -0.212 0.000 1.139 162 R CA 1.694 57.721 56.100 -0.122 0.000 0.952 162 R CB -0.183 30.046 30.300 -0.118 0.000 0.854 162 R HN 0.155 nan 8.270 nan 0.000 0.436 163 V N 0.682 120.457 119.914 -0.233 0.000 2.358 163 V HA -0.202 3.918 4.120 0.000 0.000 0.246 163 V C 2.482 178.436 176.094 -0.233 0.000 1.047 163 V CA 1.906 63.965 62.300 -0.402 0.000 1.035 163 V CB -0.645 31.069 31.823 -0.183 0.000 0.658 163 V HN 0.396 nan 8.190 nan 0.000 0.452 164 R N 0.387 120.889 120.500 0.003 0.000 2.117 164 R HA -0.187 4.154 4.340 0.000 0.000 0.243 164 R C 2.294 178.672 176.300 0.130 0.000 1.143 164 R CA 1.713 57.911 56.100 0.164 0.000 0.968 164 R CB -0.149 30.295 30.300 0.240 0.000 0.863 164 R HN 0.419 nan 8.270 nan 0.000 0.444 165 R N -1.132 119.374 120.500 0.010 0.000 2.323 165 R HA 0.044 4.384 4.340 0.000 0.000 0.198 165 R C 0.918 177.215 176.300 -0.005 0.000 0.988 165 R CA 0.582 56.684 56.100 0.004 0.000 1.041 165 R CB 0.349 30.628 30.300 -0.034 0.000 0.926 165 R HN 0.539 nan 8.270 nan 0.000 0.476 166 G N 1.461 110.193 108.800 -0.113 0.000 2.132 166 G HA2 -0.247 3.713 3.960 0.000 0.000 0.234 166 G HA3 -0.247 3.713 3.960 0.000 0.000 0.234 166 G C -0.617 174.096 174.900 -0.313 0.000 0.989 166 G CA 0.123 45.139 45.100 -0.140 0.000 0.676 166 G HN 0.373 nan 8.290 nan 0.000 0.522 167 D N -0.313 119.811 120.400 -0.460 0.000 2.412 167 D HA 0.555 5.195 4.640 0.000 0.000 0.224 167 D C 0.568 176.568 176.300 -0.499 0.000 1.093 167 D CA -0.966 52.853 54.000 -0.302 0.000 0.850 167 D CB 0.016 40.719 40.800 -0.162 0.000 1.046 167 D HN 0.034 nan 8.370 nan 0.000 0.507 168 F N 1.442 121.353 119.950 -0.064 0.000 2.645 168 F HA 0.087 4.614 4.527 0.000 0.000 0.300 168 F C 2.243 178.024 175.800 -0.031 0.000 1.115 168 F CA -0.042 57.920 58.000 -0.063 0.000 1.355 168 F CB 0.285 39.232 39.000 -0.089 0.000 1.026 168 F HN 0.345 nan 8.300 nan 0.000 0.536 169 T N -3.218 111.373 114.554 0.062 0.000 3.081 169 T HA 0.294 4.644 4.350 0.000 0.000 0.255 169 T C 1.247 175.966 174.700 0.032 0.000 1.113 169 T CA 0.411 62.542 62.100 0.051 0.000 1.082 169 T CB -0.143 68.744 68.868 0.033 0.000 0.939 169 T HN 0.168 nan 8.240 nan 0.000 0.506 170 G N 1.698 110.505 108.800 0.012 0.000 2.583 170 G HA2 0.599 4.559 3.960 0.000 0.000 0.280 170 G HA3 0.599 4.559 3.960 0.000 0.000 0.280 170 G C -2.802 172.115 174.900 0.028 0.000 1.376 170 G CA -1.890 43.216 45.100 0.011 0.000 1.043 170 G HN 0.141 nan 8.290 nan 0.000 0.538 171 P HA 0.273 nan 4.420 nan 0.000 0.271 171 P C -0.025 177.315 177.300 0.067 0.000 1.233 171 P CA 0.177 63.290 63.100 0.022 0.000 0.764 171 P CB 1.430 33.130 31.700 0.001 0.000 0.825 172 S N 1.939 117.666 115.700 0.045 0.000 2.593 172 S HA 0.360 4.830 4.470 0.000 0.000 0.236 172 S C 1.160 175.683 174.600 -0.128 0.000 0.991 172 S CA 0.310 58.562 58.200 0.087 0.000 0.963 172 S CB -0.451 62.817 63.200 0.112 0.000 0.865 172 S HN 0.828 nan 8.310 nan 0.000 0.488 173 G N 1.702 110.300 108.800 -0.337 0.000 2.583 173 G HA2 -0.340 3.620 3.960 0.000 0.000 0.292 173 G HA3 -0.340 3.620 3.960 0.000 0.000 0.292 173 G C 0.399 174.967 174.900 -0.553 0.000 1.203 173 G CA 0.505 45.156 45.100 -0.749 0.000 0.987 173 G HN 0.580 nan 8.290 nan 0.000 0.554 174 W N 1.153 122.319 121.300 -0.223 0.000 2.848 174 W HA 0.346 5.006 4.660 0.000 0.000 0.241 174 W C 2.377 178.852 176.519 -0.074 0.000 1.289 174 W CA 0.317 57.600 57.345 -0.102 0.000 1.396 174 W CB -0.213 29.212 29.460 -0.058 0.000 1.138 174 W HN 0.298 nan 8.180 nan 0.000 0.677 175 L N -0.122 121.136 121.223 0.059 0.000 2.552 175 L HA 0.040 4.380 4.340 0.000 0.000 0.227 175 L C 1.276 178.178 176.870 0.053 0.000 1.146 175 L CA 0.404 55.264 54.840 0.033 0.000 0.858 175 L CB -0.505 41.574 42.059 0.033 0.000 0.969 175 L HN -0.221 nan 8.230 nan 0.000 0.451 176 S N -0.873 114.856 115.700 0.048 0.000 2.473 176 S HA 0.221 4.691 4.470 0.000 0.000 0.307 176 S C 1.170 175.855 174.600 0.142 0.000 1.094 176 S CA -0.346 57.900 58.200 0.076 0.000 1.070 176 S CB 1.479 64.704 63.200 0.042 0.000 1.019 176 S HN 0.297 nan 8.310 nan 0.000 0.480 177 T N 2.685 117.368 114.554 0.215 0.000 2.977 177 T HA -0.105 4.245 4.350 0.000 0.000 0.271 177 T C 1.729 176.676 174.700 0.412 0.000 1.105 177 T CA 0.997 63.300 62.100 0.339 0.000 1.116 177 T CB -0.327 68.768 68.868 0.378 0.000 0.878 177 T HN 0.615 nan 8.240 nan 0.000 0.509 178 R N 1.779 122.467 120.500 0.314 0.000 2.091 178 R HA -0.069 4.271 4.340 0.000 0.000 0.238 178 R C 2.306 178.651 176.300 0.075 0.000 1.136 178 R CA 2.196 58.370 56.100 0.123 0.000 0.959 178 R CB -1.335 29.028 30.300 0.106 0.000 0.856 178 R HN 0.455 nan 8.270 nan 0.000 0.437 179 T N -0.224 114.334 114.554 0.006 0.000 2.788 179 T HA -0.087 4.263 4.350 0.000 0.000 0.268 179 T C 1.807 176.591 174.700 0.141 0.000 1.044 179 T CA 1.389 63.424 62.100 -0.108 0.000 1.139 179 T CB -0.254 68.306 68.868 -0.513 0.000 0.867 179 T HN 0.029 nan 8.240 nan 0.000 0.454 180 V N 0.517 120.585 119.914 0.257 0.000 2.295 180 V HA -0.172 3.948 4.120 0.000 0.000 0.246 180 V C 2.027 178.294 176.094 0.288 0.000 1.049 180 V CA 1.593 64.117 62.300 0.374 0.000 1.024 180 V CB -0.732 31.292 31.823 0.334 0.000 0.648 180 V HN 0.496 nan 8.190 nan 0.000 0.447 181 Y N 1.254 121.594 120.300 0.066 0.000 2.114 181 Y HA -0.214 4.336 4.550 0.000 0.000 0.284 181 Y C 2.663 178.546 175.900 -0.028 0.000 1.143 181 Y CA 2.043 60.087 58.100 -0.092 0.000 1.135 181 Y CB -0.108 38.022 38.460 -0.549 0.000 0.980 181 Y HN 0.234 nan 8.280 nan 0.000 0.499 182 E N -0.366 119.963 120.200 0.215 0.000 2.106 182 E HA -0.207 4.143 4.350 0.000 0.000 0.192 182 E C 2.092 178.820 176.600 0.213 0.000 0.984 182 E CA 1.110 57.664 56.400 0.257 0.000 0.806 182 E CB -0.792 29.165 29.700 0.429 0.000 0.750 182 E HN 0.547 nan 8.360 nan 0.000 0.458 183 F N 1.917 121.920 119.950 0.088 0.000 2.102 183 F HA -0.177 4.350 4.527 0.000 0.000 0.298 183 F C 2.290 178.003 175.800 -0.144 0.000 1.105 183 F CA 1.318 59.194 58.000 -0.207 0.000 1.239 183 F CB -0.498 38.535 39.000 0.055 0.000 0.991 183 F HN -0.021 nan 8.300 nan 0.000 0.474 184 A N 0.660 123.378 122.820 -0.170 0.000 1.873 184 A HA -0.263 4.057 4.320 0.000 0.000 0.218 184 A C 2.345 179.716 177.584 -0.355 0.000 1.193 184 A CA 2.199 54.054 52.037 -0.304 0.000 0.629 184 A CB -0.839 18.026 19.000 -0.226 0.000 0.826 184 A HN 0.474 nan 8.150 nan 0.000 0.447 185 R N -2.015 118.288 120.500 -0.328 0.000 2.081 185 R HA -0.096 4.244 4.340 0.000 0.000 0.235 185 R C 2.017 178.227 176.300 -0.151 0.000 1.131 185 R CA 1.524 57.468 56.100 -0.259 0.000 0.960 185 R CB -0.536 29.612 30.300 -0.254 0.000 0.856 185 R HN 0.605 nan 8.270 nan 0.000 0.436 186 F N 1.481 121.226 119.950 -0.342 0.000 2.102 186 F HA -0.197 4.330 4.527 0.000 0.000 0.298 186 F C 2.080 177.735 175.800 -0.241 0.000 1.105 186 F CA 1.597 59.421 58.000 -0.293 0.000 1.239 186 F CB -0.349 38.182 39.000 -0.782 0.000 0.991 186 F HN -0.146 nan 8.300 nan 0.000 0.474 187 S N 0.725 116.001 115.700 -0.707 0.000 2.356 187 S HA -0.142 4.328 4.470 0.000 0.000 0.223 187 S C 2.376 176.692 174.600 -0.472 0.000 1.032 187 S CA 1.110 58.873 58.200 -0.728 0.000 1.005 187 S CB -1.058 61.680 63.200 -0.769 0.000 0.867 187 S HN 0.560 nan 8.310 nan 0.000 0.449 188 A N 0.817 123.423 122.820 -0.357 0.000 1.892 188 A HA -0.204 4.116 4.320 0.000 0.000 0.218 188 A C 1.972 179.495 177.584 -0.102 0.000 1.188 188 A CA 1.992 53.885 52.037 -0.240 0.000 0.631 188 A CB -1.140 17.730 19.000 -0.216 0.000 0.822 188 A HN 0.595 nan 8.150 nan 0.000 0.447 189 Y N 0.480 120.696 120.300 -0.139 0.000 2.128 189 Y HA -0.221 4.329 4.550 0.000 0.000 0.284 189 Y C 2.099 178.088 175.900 0.147 0.000 1.154 189 Y CA 1.834 59.984 58.100 0.083 0.000 1.149 189 Y CB -0.109 38.469 38.460 0.197 0.000 0.976 189 Y HN 0.254 nan 8.280 nan 0.000 0.505 190 I N 0.258 120.776 120.570 -0.087 0.000 2.252 190 I HA -0.264 3.906 4.170 0.000 0.000 0.245 190 I C 2.666 178.845 176.117 0.103 0.000 1.102 190 I CA 1.439 62.733 61.300 -0.010 0.000 1.385 190 I CB -1.929 35.925 38.000 -0.243 0.000 1.064 190 I HN 0.374 nan 8.210 nan 0.000 0.414 191 A N 0.120 122.907 122.820 -0.054 0.000 1.883 191 A HA -0.278 4.042 4.320 0.000 0.000 0.217 191 A C 2.217 179.848 177.584 0.078 0.000 1.186 191 A CA 1.738 53.753 52.037 -0.036 0.000 0.624 191 A CB -1.311 17.454 19.000 -0.391 0.000 0.822 191 A HN 0.568 nan 8.150 nan 0.000 0.444 192 W N 1.048 122.241 121.300 -0.178 0.000 2.335 192 W HA -0.181 4.479 4.660 0.000 0.000 0.311 192 W C 1.913 178.301 176.519 -0.218 0.000 1.213 192 W CA 2.229 59.465 57.345 -0.182 0.000 1.274 192 W CB 0.049 29.388 29.460 -0.201 0.000 1.148 192 W HN 0.151 nan 8.180 nan 0.000 0.498 193 K N -1.025 119.184 120.400 -0.318 0.000 2.167 193 K HA -0.039 4.281 4.320 0.000 0.000 0.203 193 K C 1.509 177.763 176.600 -0.576 0.000 1.052 193 K CA 1.156 57.062 56.287 -0.636 0.000 0.956 193 K CB -0.815 31.215 32.500 -0.783 0.000 0.735 193 K HN 0.234 nan 8.250 nan 0.000 0.451 194 F N 0.197 120.115 119.950 -0.053 0.000 2.682 194 F HA 0.110 4.637 4.527 0.000 0.000 0.308 194 F C 1.500 177.329 175.800 0.048 0.000 1.093 194 F CA -0.507 57.523 58.000 0.051 0.000 1.244 194 F CB 0.205 39.308 39.000 0.171 0.000 1.052 194 F HN -0.061 nan 8.300 nan 0.000 0.573 195 D N 1.137 121.641 120.400 0.174 0.000 2.228 195 D HA -0.229 4.411 4.640 0.000 0.000 0.203 195 D C 1.960 178.293 176.300 0.055 0.000 0.988 195 D CA 1.864 55.955 54.000 0.151 0.000 0.864 195 D CB -0.020 40.861 40.800 0.135 0.000 0.928 195 D HN 0.360 nan 8.370 nan 0.000 0.469 196 D N -0.247 120.173 120.400 0.033 0.000 2.264 196 D HA -0.160 4.480 4.640 0.000 0.000 0.208 196 D C 1.957 178.279 176.300 0.037 0.000 0.966 196 D CA 0.594 54.602 54.000 0.014 0.000 0.864 196 D CB -0.308 40.485 40.800 -0.011 0.000 0.933 196 D HN 0.378 nan 8.370 nan 0.000 0.499 197 L N 0.251 121.535 121.223 0.101 0.000 2.515 197 L HA 0.161 4.501 4.340 0.000 0.000 0.223 197 L C 0.665 177.594 176.870 0.098 0.000 1.079 197 L CA -0.069 54.861 54.840 0.151 0.000 0.857 197 L CB 0.687 42.944 42.059 0.330 0.000 1.050 197 L HN -0.171 nan 8.230 nan 0.000 0.476 198 V N 0.465 120.329 119.914 -0.083 0.000 2.567 198 V HA 0.096 4.216 4.120 0.000 0.000 0.289 198 V C 0.455 176.266 176.094 -0.471 0.000 1.049 198 V CA -0.238 61.796 62.300 -0.442 0.000 0.969 198 V CB 1.795 33.114 31.823 -0.839 0.000 0.995 198 V HN 0.148 nan 8.190 nan 0.000 0.471 199 D N 1.825 121.845 120.400 -0.633 0.000 2.369 199 D HA 0.147 4.787 4.640 0.000 0.000 0.231 199 D C 0.404 176.367 176.300 -0.561 0.000 0.967 199 D CA 0.697 54.288 54.000 -0.682 0.000 0.905 199 D CB 0.912 40.918 40.800 -1.323 0.000 1.044 199 D HN 0.670 nan 8.370 nan 0.000 0.487 200 E N -0.709 119.121 120.200 -0.617 0.000 2.393 200 E HA 0.420 4.770 4.350 0.000 0.000 0.273 200 E C -1.336 175.031 176.600 -0.389 0.000 0.918 200 E CA -0.685 55.520 56.400 -0.325 0.000 0.773 200 E CB 2.222 31.815 29.700 -0.179 0.000 1.275 200 E HN -0.066 nan 8.360 nan 0.000 0.451 201 Y N 0.117 120.495 120.300 0.129 0.000 2.468 201 Y HA 0.419 4.969 4.550 0.000 0.000 0.342 201 Y C 0.199 176.269 175.900 0.283 0.000 1.021 201 Y CA -0.595 57.553 58.100 0.080 0.000 1.079 201 Y CB 2.329 40.783 38.460 -0.010 0.000 1.226 201 Y HN 0.320 nan 8.280 nan 0.000 0.460 202 S N -0.044 115.852 115.700 0.327 0.000 2.503 202 S HA 0.302 4.772 4.470 0.000 0.000 0.301 202 S C 0.787 175.508 174.600 0.202 0.000 1.087 202 S CA -0.121 58.180 58.200 0.168 0.000 1.042 202 S CB 0.931 64.213 63.200 0.136 0.000 1.043 202 S HN 0.838 nan 8.310 nan 0.000 0.489 203 T N 2.226 116.910 114.554 0.217 0.000 2.770 203 T HA 0.140 4.490 4.350 0.000 0.000 0.263 203 T C 0.887 175.886 174.700 0.498 0.000 1.039 203 T CA 0.985 63.294 62.100 0.349 0.000 1.142 203 T CB -0.530 68.609 68.868 0.452 0.000 0.868 203 T HN 0.783 nan 8.240 nan 0.000 0.435 204 M N -0.246 119.569 119.600 0.358 0.000 2.622 204 M HA 0.607 5.087 4.480 0.000 0.000 0.276 204 M C -1.838 174.561 176.300 0.165 0.000 1.265 204 M CA -1.069 54.446 55.300 0.358 0.000 0.850 204 M CB 1.968 34.788 32.600 0.368 0.000 1.720 204 M HN -0.073 nan 8.290 nan 0.000 0.465 205 N N 0.836 119.589 118.700 0.089 0.000 2.437 205 N HA 0.271 5.011 4.740 0.000 0.000 0.259 205 N C -1.146 174.385 175.510 0.035 0.000 0.983 205 N CA 0.063 53.046 53.050 -0.113 0.000 0.937 205 N CB 0.808 38.912 38.487 -0.637 0.000 1.122 205 N HN 0.820 nan 8.380 nan 0.000 0.499 206 E N 2.007 122.196 120.200 -0.018 0.000 2.222 206 E HA -0.175 4.175 4.350 0.000 0.000 0.189 206 E C -1.750 174.760 176.600 -0.150 0.000 1.415 206 E CA 0.026 56.364 56.400 -0.104 0.000 0.689 206 E CB -0.621 29.095 29.700 0.027 0.000 1.107 206 E HN 0.676 nan 8.360 nan 0.000 0.350 207 P HA -0.243 nan 4.420 nan 0.000 0.218 207 P C 1.097 178.215 177.300 -0.302 0.000 1.148 207 P CA 1.630 64.590 63.100 -0.233 0.000 0.822 207 P CB -0.002 31.575 31.700 -0.204 0.000 0.784 208 N N 0.331 118.755 118.700 -0.460 0.000 2.223 208 N HA -0.088 4.652 4.740 0.000 0.000 0.185 208 N C 1.625 176.948 175.510 -0.312 0.000 1.016 208 N CA 1.068 53.910 53.050 -0.347 0.000 0.863 208 N CB -1.652 36.535 38.487 -0.500 0.000 0.983 208 N HN 0.081 nan 8.380 nan 0.000 0.429 209 V N 0.839 120.501 119.914 -0.420 0.000 2.379 209 V HA -0.118 4.002 4.120 0.000 0.000 0.245 209 V C 2.655 178.429 176.094 -0.533 0.000 1.044 209 V CA 0.873 62.865 62.300 -0.512 0.000 1.036 209 V CB -0.417 31.037 31.823 -0.615 0.000 0.664 209 V HN 0.100 nan 8.190 nan 0.000 0.453 210 V N 1.170 120.768 119.914 -0.526 0.000 2.255 210 V HA -0.232 3.888 4.120 0.000 0.000 0.247 210 V C 2.629 178.673 176.094 -0.084 0.000 1.051 210 V CA 2.476 64.575 62.300 -0.335 0.000 1.018 210 V CB -1.432 30.279 31.823 -0.187 0.000 0.641 210 V HN 0.605 nan 8.190 nan 0.000 0.445 211 G N -0.541 108.240 108.800 -0.033 0.000 2.402 211 G HA2 -0.079 3.881 3.960 0.000 0.000 0.216 211 G HA3 -0.079 3.881 3.960 0.000 0.000 0.216 211 G C 1.596 176.586 174.900 0.149 0.000 1.162 211 G CA 0.882 46.075 45.100 0.155 0.000 0.777 211 G HN 0.593 nan 8.290 nan 0.000 0.539 212 G N 0.848 109.638 108.800 -0.017 0.000 2.414 212 G HA2 -0.102 3.858 3.960 0.000 0.000 0.215 212 G HA3 -0.102 3.858 3.960 0.000 0.000 0.215 212 G C 1.762 176.598 174.900 -0.107 0.000 1.188 212 G CA 0.649 45.723 45.100 -0.044 0.000 0.783 212 G HN 0.386 nan 8.290 nan 0.000 0.537 213 L N 0.768 121.830 121.223 -0.269 0.000 2.179 213 L HA 0.106 4.446 4.340 0.000 0.000 0.208 213 L C 3.120 179.853 176.870 -0.228 0.000 1.096 213 L CA 0.702 55.326 54.840 -0.359 0.000 0.779 213 L CB -0.603 40.947 42.059 -0.848 0.000 0.922 213 L HN 0.333 nan 8.230 nan 0.000 0.443 214 G N -0.569 108.101 108.800 -0.217 0.000 2.432 214 G HA2 -0.257 3.704 3.960 0.000 0.000 0.219 214 G HA3 -0.257 3.704 3.960 0.000 0.000 0.219 214 G C 1.029 175.561 174.900 -0.614 0.000 1.135 214 G CA 0.801 45.627 45.100 -0.457 0.000 0.767 214 G HN 0.412 nan 8.290 nan 0.000 0.550 215 Y N -2.063 118.247 120.300 0.017 0.000 2.563 215 Y HA 0.397 4.947 4.550 0.000 0.000 0.250 215 Y C 1.669 177.592 175.900 0.039 0.000 1.126 215 Y CA -0.297 57.846 58.100 0.071 0.000 1.231 215 Y CB 0.923 39.454 38.460 0.118 0.000 1.288 215 Y HN 0.033 nan 8.280 nan 0.000 0.537 216 V N -1.808 118.175 119.914 0.116 0.000 3.161 216 V HA 0.267 4.387 4.120 0.000 0.000 0.221 216 V C 1.617 177.720 176.094 0.015 0.000 1.296 216 V CA 0.627 62.983 62.300 0.093 0.000 1.306 216 V CB -0.306 31.626 31.823 0.181 0.000 1.171 216 V HN 0.202 nan 8.190 nan 0.000 0.513 217 G N 1.587 110.367 108.800 -0.033 0.000 3.197 217 G HA2 0.273 4.233 3.960 0.000 0.000 0.257 217 G HA3 0.273 4.233 3.960 0.000 0.000 0.257 217 G C 1.092 175.951 174.900 -0.068 0.000 0.835 217 G CA 0.661 45.719 45.100 -0.070 0.000 2.001 217 G HN 0.484 nan 8.290 nan 0.000 0.625 218 V N -1.062 118.834 119.914 -0.030 0.000 2.970 218 V HA -0.006 4.114 4.120 0.000 0.000 0.260 218 V C 2.224 178.347 176.094 0.048 0.000 1.100 218 V CA 1.268 63.570 62.300 0.003 0.000 1.122 218 V CB -0.331 31.490 31.823 -0.003 0.000 0.721 218 V HN 0.430 nan 8.190 nan 0.000 0.483 219 K N 2.083 122.500 120.400 0.029 0.000 2.442 219 K HA -0.045 4.275 4.320 0.000 0.000 0.198 219 K C 2.251 178.905 176.600 0.091 0.000 1.042 219 K CA 1.345 57.665 56.287 0.056 0.000 0.958 219 K CB -0.267 32.256 32.500 0.039 0.000 0.766 219 K HN 0.772 nan 8.250 nan 0.000 0.474 220 S N 0.020 115.759 115.700 0.065 0.000 2.515 220 S HA -0.009 4.461 4.470 0.000 0.000 0.231 220 S C 1.418 176.228 174.600 0.351 0.000 0.987 220 S CA 0.458 58.727 58.200 0.113 0.000 0.936 220 S CB -0.291 62.827 63.200 -0.137 0.000 0.766 220 S HN 0.399 nan 8.310 nan 0.000 0.528 221 G N 0.631 109.642 108.800 0.351 0.000 2.246 221 G HA2 -0.230 3.730 3.960 0.000 0.000 0.273 221 G HA3 -0.230 3.730 3.960 0.000 0.000 0.273 221 G C -0.317 174.984 174.900 0.668 0.000 1.055 221 G CA -0.022 45.390 45.100 0.520 0.000 0.851 221 G HN 0.420 nan 8.290 nan 0.000 0.500 222 F N 1.228 121.178 119.950 0.000 0.000 2.422 222 F HA 0.576 5.103 4.527 0.000 0.000 0.333 222 F C -1.344 173.783 175.800 -1.122 0.000 1.095 222 F CA -2.847 54.875 58.000 -0.464 0.000 1.038 222 F CB 1.909 40.735 39.000 -0.290 0.000 1.156 222 F HN -0.057 nan 8.300 nan 0.000 0.483 223 P HA 0.183 nan 4.420 nan 0.000 0.278 223 P C -2.465 174.284 177.300 -0.919 0.000 1.238 223 P CA -1.532 60.342 63.100 -2.045 0.000 0.794 223 P CB 1.243 31.727 31.700 -2.027 0.000 0.955 224 P HA 0.049 nan 4.420 nan 0.000 0.255 224 P C 0.808 177.899 177.300 -0.348 0.000 1.248 224 P CA 0.443 63.186 63.100 -0.595 0.000 0.807 224 P CB -0.280 31.347 31.700 -0.122 0.000 1.150 225 G N 0.314 108.891 108.800 -0.372 0.000 2.295 225 G HA2 -0.297 3.663 3.960 0.000 0.000 0.287 225 G HA3 -0.297 3.663 3.960 0.000 0.000 0.287 225 G C -0.602 174.357 174.900 0.098 0.000 1.055 225 G CA -0.052 45.040 45.100 -0.014 0.000 0.922 225 G HN 0.482 nan 8.290 nan 0.000 0.503 226 Y N -0.153 120.113 120.300 -0.057 0.000 2.342 226 Y HA 0.597 5.147 4.550 0.000 0.000 0.338 226 Y C 0.125 176.100 175.900 0.125 0.000 0.965 226 Y CA -1.832 56.321 58.100 0.088 0.000 1.159 226 Y CB 1.151 39.742 38.460 0.219 0.000 1.157 226 Y HN 0.243 nan 8.280 nan 0.000 0.486 227 L N 6.330 127.328 121.223 -0.376 0.000 2.342 227 L HA 0.459 4.799 4.340 0.000 0.000 0.285 227 L C -0.608 176.091 176.870 -0.286 0.000 1.095 227 L CA 0.405 55.092 54.840 -0.255 0.000 0.843 227 L CB 0.077 41.975 42.059 -0.268 0.000 1.201 227 L HN 0.607 nan 8.230 nan 0.000 0.445 228 S N 4.162 119.836 115.700 -0.043 0.000 2.599 228 S HA 0.321 4.791 4.470 0.000 0.000 0.269 228 S C 0.699 175.366 174.600 0.113 0.000 1.135 228 S CA -0.579 57.627 58.200 0.010 0.000 1.027 228 S CB 0.060 63.411 63.200 0.251 0.000 1.129 228 S HN 0.401 nan 8.310 nan 0.000 0.458 229 F N 2.682 122.641 119.950 0.014 0.000 2.091 229 F HA -0.037 4.490 4.527 0.000 0.000 0.299 229 F C 2.531 178.310 175.800 -0.035 0.000 1.103 229 F CA 1.891 59.881 58.000 -0.017 0.000 1.228 229 F CB -0.629 38.346 39.000 -0.043 0.000 0.984 229 F HN 0.780 nan 8.300 nan 0.000 0.477 230 E N 0.455 120.755 120.200 0.167 0.000 2.085 230 E HA -0.207 4.143 4.350 0.000 0.000 0.194 230 E C 2.237 178.825 176.600 -0.019 0.000 0.994 230 E CA 1.218 57.644 56.400 0.043 0.000 0.801 230 E CB -0.235 29.471 29.700 0.010 0.000 0.743 230 E HN 0.392 nan 8.360 nan 0.000 0.453 231 L N 0.230 121.445 121.223 -0.012 0.000 2.217 231 L HA -0.090 4.250 4.340 0.000 0.000 0.211 231 L C 2.740 179.418 176.870 -0.320 0.000 1.107 231 L CA 0.703 55.450 54.840 -0.154 0.000 0.783 231 L CB -0.369 41.635 42.059 -0.091 0.000 0.919 231 L HN 0.136 nan 8.230 nan 0.000 0.442 232 S N 0.198 115.831 115.700 -0.112 0.000 2.368 232 S HA -0.183 4.287 4.470 0.000 0.000 0.225 232 S C 2.168 176.739 174.600 -0.050 0.000 1.030 232 S CA 1.279 59.446 58.200 -0.055 0.000 0.999 232 S CB -0.032 63.258 63.200 0.150 0.000 0.844 232 S HN 0.331 nan 8.310 nan 0.000 0.459 233 R N 0.331 120.811 120.500 -0.034 0.000 2.073 233 R HA -0.061 4.279 4.340 0.000 0.000 0.234 233 R C 2.717 179.024 176.300 0.011 0.000 1.134 233 R CA 1.707 57.790 56.100 -0.028 0.000 0.952 233 R CB -0.370 29.891 30.300 -0.065 0.000 0.850 233 R HN 0.417 nan 8.270 nan 0.000 0.433 234 R N 0.662 121.134 120.500 -0.047 0.000 2.083 234 R HA -0.144 4.196 4.340 0.000 0.000 0.237 234 R C 2.152 178.473 176.300 0.035 0.000 1.137 234 R CA 1.742 57.831 56.100 -0.019 0.000 0.951 234 R CB -0.303 29.945 30.300 -0.086 0.000 0.851 234 R HN 0.235 nan 8.270 nan 0.000 0.434 235 A N 0.557 123.327 122.820 -0.082 0.000 1.933 235 A HA -0.145 4.175 4.320 0.000 0.000 0.218 235 A C 2.106 179.727 177.584 0.062 0.000 1.175 235 A CA 1.401 53.432 52.037 -0.010 0.000 0.628 235 A CB -0.342 18.570 19.000 -0.146 0.000 0.814 235 A HN 0.303 nan 8.150 nan 0.000 0.444 236 M N -2.040 117.622 119.600 0.103 0.000 2.132 236 M HA -0.065 4.415 4.480 0.000 0.000 0.263 236 M C 2.073 178.508 176.300 0.225 0.000 1.065 236 M CA 1.138 56.563 55.300 0.209 0.000 1.122 236 M CB -1.532 31.303 32.600 0.392 0.000 1.365 236 M HN 0.604 nan 8.290 nan 0.000 0.411 237 Y N 1.783 122.146 120.300 0.104 0.000 2.128 237 Y HA -0.267 4.283 4.550 0.000 0.000 0.284 237 Y C 2.174 178.101 175.900 0.044 0.000 1.154 237 Y CA 1.834 59.978 58.100 0.074 0.000 1.149 237 Y CB -0.330 38.160 38.460 0.050 0.000 0.976 237 Y HN 0.311 nan 8.280 nan 0.000 0.505 238 N N 0.370 119.169 118.700 0.164 0.000 2.142 238 N HA -0.200 4.540 4.740 0.000 0.000 0.186 238 N C 2.030 177.554 175.510 0.023 0.000 1.023 238 N CA 1.672 54.803 53.050 0.135 0.000 0.852 238 N CB -0.557 38.094 38.487 0.274 0.000 0.998 238 N HN 0.488 nan 8.380 nan 0.000 0.424 239 I N 0.791 121.280 120.570 -0.136 0.000 2.394 239 I HA -0.162 4.008 4.170 0.000 0.000 0.251 239 I C 1.880 177.858 176.117 -0.232 0.000 1.136 239 I CA 0.641 61.666 61.300 -0.459 0.000 1.425 239 I CB 0.079 37.634 38.000 -0.741 0.000 1.079 239 I HN 0.037 nan 8.210 nan 0.000 0.425 240 I N 0.717 121.176 120.570 -0.184 0.000 2.142 240 I HA -0.368 3.802 4.170 0.000 0.000 0.240 240 I C 2.628 178.609 176.117 -0.227 0.000 1.078 240 I CA 1.879 62.993 61.300 -0.308 0.000 1.343 240 I CB -0.446 37.284 38.000 -0.451 0.000 1.046 240 I HN 0.397 nan 8.210 nan 0.000 0.405 241 Q N 1.065 120.726 119.800 -0.232 0.000 2.167 241 Q HA -0.136 4.204 4.340 0.000 0.000 0.202 241 Q C 2.229 178.216 176.000 -0.022 0.000 0.970 241 Q CA 1.425 57.135 55.803 -0.155 0.000 0.855 241 Q CB -0.502 28.126 28.738 -0.183 0.000 0.911 241 Q HN 0.467 nan 8.270 nan 0.000 0.438 242 A N 1.636 124.484 122.820 0.047 0.000 1.933 242 A HA -0.263 4.057 4.320 0.000 0.000 0.218 242 A C 1.957 179.665 177.584 0.206 0.000 1.175 242 A CA 1.791 53.947 52.037 0.200 0.000 0.628 242 A CB -0.940 18.225 19.000 0.275 0.000 0.814 242 A HN 0.681 nan 8.150 nan 0.000 0.444 243 H N -0.026 119.061 119.070 0.029 0.000 2.321 243 H HA 0.059 4.615 4.556 0.000 0.000 0.300 243 H C 2.116 177.459 175.328 0.025 0.000 1.087 243 H CA 2.077 58.158 56.048 0.055 0.000 1.319 243 H CB -0.374 29.348 29.762 -0.067 0.000 1.379 243 H HN 0.352 nan 8.280 nan 0.000 0.501 244 A N 0.571 123.234 122.820 -0.261 0.000 1.883 244 A HA -0.181 4.139 4.320 0.000 0.000 0.217 244 A C 2.446 179.931 177.584 -0.164 0.000 1.186 244 A CA 1.879 53.755 52.037 -0.269 0.000 0.624 244 A CB -0.546 18.353 19.000 -0.168 0.000 0.822 244 A HN 0.400 nan 8.150 nan 0.000 0.444 245 R N -0.390 120.054 120.500 -0.093 0.000 2.092 245 R HA 0.054 4.394 4.340 0.000 0.000 0.231 245 R C 2.287 178.519 176.300 -0.114 0.000 1.119 245 R CA 1.436 57.495 56.100 -0.069 0.000 0.970 245 R CB -0.709 29.578 30.300 -0.021 0.000 0.864 245 R HN 0.493 nan 8.270 nan 0.000 0.440 246 A N -0.827 121.921 122.820 -0.120 0.000 1.930 246 A HA -0.190 4.130 4.320 0.000 0.000 0.217 246 A C 2.008 179.458 177.584 -0.223 0.000 1.175 246 A CA 1.287 53.186 52.037 -0.229 0.000 0.627 246 A CB -0.775 18.085 19.000 -0.234 0.000 0.815 246 A HN 0.487 nan 8.150 nan 0.000 0.443 247 Y N 1.334 121.413 120.300 -0.369 0.000 2.145 247 Y HA -0.241 4.309 4.550 0.000 0.000 0.286 247 Y C 1.844 177.610 175.900 -0.225 0.000 1.145 247 Y CA 2.162 60.071 58.100 -0.317 0.000 1.148 247 Y CB -0.245 37.984 38.460 -0.384 0.000 0.981 247 Y HN 0.352 nan 8.280 nan 0.000 0.507 248 D N -0.324 120.110 120.400 0.057 0.000 2.117 248 D HA -0.147 4.493 4.640 0.000 0.000 0.197 248 D C 2.379 178.598 176.300 -0.135 0.000 0.987 248 D CA 1.530 55.524 54.000 -0.011 0.000 0.829 248 D CB -0.965 39.835 40.800 0.000 0.000 0.961 248 D HN 0.542 nan 8.370 nan 0.000 0.460 249 G N 0.751 109.445 108.800 -0.177 0.000 2.421 249 G HA2 -0.218 3.742 3.960 0.000 0.000 0.216 249 G HA3 -0.218 3.742 3.960 0.000 0.000 0.216 249 G C 1.796 176.538 174.900 -0.262 0.000 1.171 249 G CA 0.420 45.389 45.100 -0.219 0.000 0.775 249 G HN 0.274 nan 8.290 nan 0.000 0.543 250 I N 0.222 120.586 120.570 -0.343 0.000 2.252 250 I HA -0.105 4.065 4.170 0.000 0.000 0.245 250 I C 2.610 178.514 176.117 -0.355 0.000 1.102 250 I CA 0.890 61.929 61.300 -0.435 0.000 1.385 250 I CB -0.062 37.569 38.000 -0.614 0.000 1.064 250 I HN -0.023 nan 8.210 nan 0.000 0.414 251 K N 0.760 120.945 120.400 -0.358 0.000 2.211 251 K HA -0.094 4.227 4.320 0.000 0.000 0.203 251 K C 2.213 178.719 176.600 -0.156 0.000 1.050 251 K CA 1.554 57.675 56.287 -0.277 0.000 0.945 251 K CB -0.567 31.745 32.500 -0.313 0.000 0.732 251 K HN 0.429 nan 8.250 nan 0.000 0.451 252 S N -0.359 115.253 115.700 -0.147 0.000 2.474 252 S HA -0.052 4.418 4.470 0.000 0.000 0.235 252 S C 1.741 176.295 174.600 -0.076 0.000 0.997 252 S CA 0.855 58.994 58.200 -0.100 0.000 0.949 252 S CB 0.067 63.201 63.200 -0.110 0.000 0.766 252 S HN 0.008 nan 8.310 nan 0.000 0.517 253 V N -0.217 119.646 119.914 -0.085 0.000 3.485 253 V HA 0.423 4.543 4.120 0.000 0.000 0.280 253 V C 0.405 176.497 176.094 -0.002 0.000 1.495 253 V CA 0.449 62.740 62.300 -0.015 0.000 1.018 253 V CB 0.857 32.683 31.823 0.005 0.000 0.818 253 V HN 0.521 nan 8.190 nan 0.000 0.436 254 S N -0.654 115.016 115.700 -0.051 0.000 2.546 254 S HA 0.450 4.920 4.470 0.000 0.000 0.274 254 S C 0.128 174.721 174.600 -0.012 0.000 1.121 254 S CA -0.614 57.583 58.200 -0.005 0.000 0.887 254 S CB 1.875 65.087 63.200 0.020 0.000 1.094 254 S HN 0.038 nan 8.310 nan 0.000 0.474 255 K N 1.748 122.165 120.400 0.028 0.000 2.393 255 K HA 0.207 4.527 4.320 0.000 0.000 0.193 255 K C 0.144 176.779 176.600 0.059 0.000 1.026 255 K CA 0.231 56.535 56.287 0.029 0.000 1.064 255 K CB 0.003 32.523 32.500 0.033 0.000 0.833 255 K HN 0.512 nan 8.250 nan 0.000 0.521 256 K N 1.919 122.380 120.400 0.101 0.000 2.276 256 K HA 0.122 4.442 4.320 0.000 0.000 0.259 256 K C -2.467 174.249 176.600 0.194 0.000 1.001 256 K CA -1.645 54.725 56.287 0.138 0.000 0.927 256 K CB -0.187 32.390 32.500 0.128 0.000 0.969 256 K HN -0.158 nan 8.250 nan 0.000 0.490 257 P HA 0.043 nan 4.420 nan 0.000 0.271 257 P C -0.994 176.600 177.300 0.489 0.000 1.216 257 P CA -0.177 63.153 63.100 0.382 0.000 0.776 257 P CB 0.601 32.590 31.700 0.480 0.000 0.881 258 V N 3.224 123.382 119.914 0.407 0.000 2.443 258 V HA 0.708 4.828 4.120 0.000 0.000 0.293 258 V C 0.667 176.847 176.094 0.143 0.000 1.021 258 V CA -0.147 62.324 62.300 0.285 0.000 0.848 258 V CB 1.441 33.215 31.823 -0.081 0.000 0.998 258 V HN 0.799 nan 8.190 nan 0.000 0.424 259 G N 3.670 112.271 108.800 -0.332 0.000 3.251 259 G HA2 0.877 4.837 3.960 0.000 0.000 0.248 259 G HA3 0.877 4.837 3.960 0.000 0.000 0.248 259 G C -1.342 173.207 174.900 -0.585 0.000 1.320 259 G CA -0.611 43.894 45.100 -0.993 0.000 0.982 259 G HN 0.596 nan 8.290 nan 0.000 0.575 260 I N -0.783 119.371 120.570 -0.693 0.000 2.913 260 I HA 0.535 4.705 4.170 0.000 0.000 0.302 260 I C -1.418 174.539 176.117 -0.268 0.000 1.246 260 I CA -1.143 59.955 61.300 -0.337 0.000 1.010 260 I CB 2.545 40.348 38.000 -0.329 0.000 1.259 260 I HN 0.311 nan 8.210 nan 0.000 0.434 261 I N 5.537 126.058 120.570 -0.082 0.000 2.404 261 I HA 0.358 4.528 4.170 0.000 0.000 0.293 261 I C -1.507 174.670 176.117 0.100 0.000 0.992 261 I CA -0.580 60.738 61.300 0.029 0.000 1.149 261 I CB 1.794 39.823 38.000 0.049 0.000 1.315 261 I HN 0.403 nan 8.210 nan 0.000 0.446 262 Y N 4.712 125.013 120.300 0.003 0.000 2.512 262 Y HA 0.710 5.260 4.550 0.000 0.000 0.348 262 Y C -0.283 175.641 175.900 0.041 0.000 0.990 262 Y CA -0.962 57.127 58.100 -0.018 0.000 1.033 262 Y CB 1.945 40.483 38.460 0.130 0.000 1.259 262 Y HN 0.583 nan 8.280 nan 0.000 0.461 263 A N 5.240 127.827 122.820 -0.389 0.000 2.354 263 A HA 0.428 4.748 4.320 0.000 0.000 0.281 263 A C -0.782 176.762 177.584 -0.067 0.000 1.174 263 A CA -0.416 51.502 52.037 -0.200 0.000 0.828 263 A CB -0.214 18.615 19.000 -0.283 0.000 1.099 263 A HN 0.748 nan 8.150 nan 0.000 0.516 264 N N 0.874 119.635 118.700 0.102 0.000 2.319 264 N HA 0.549 5.289 4.740 0.000 0.000 0.305 264 N C -0.989 174.555 175.510 0.056 0.000 1.103 264 N CA -0.268 52.895 53.050 0.187 0.000 0.815 264 N CB 2.059 40.758 38.487 0.353 0.000 1.288 264 N HN 0.559 nan 8.380 nan 0.000 0.493 265 S N -0.217 115.451 115.700 -0.052 0.000 2.548 265 S HA 0.379 4.849 4.470 0.000 0.000 0.286 265 S C -0.822 173.589 174.600 -0.314 0.000 1.098 265 S CA -0.603 57.425 58.200 -0.287 0.000 0.930 265 S CB 1.213 64.045 63.200 -0.613 0.000 1.070 265 S HN 0.414 nan 8.310 nan 0.000 0.480 266 S N 3.440 119.095 115.700 -0.076 0.000 2.439 266 S HA 0.510 4.980 4.470 0.000 0.000 0.282 266 S C -1.020 173.423 174.600 -0.262 0.000 1.170 266 S CA -0.489 57.705 58.200 -0.011 0.000 1.054 266 S CB -0.621 62.743 63.200 0.274 0.000 0.956 266 S HN 0.482 nan 8.310 nan 0.000 0.490 267 F N 4.344 124.268 119.950 -0.043 0.000 2.424 267 F HA 0.419 4.946 4.527 0.000 0.000 0.356 267 F C 0.997 176.740 175.800 -0.094 0.000 1.110 267 F CA -0.286 57.648 58.000 -0.109 0.000 1.161 267 F CB 0.951 39.853 39.000 -0.165 0.000 1.115 267 F HN 0.382 nan 8.300 nan 0.000 0.507 268 Q N 5.160 124.951 119.800 -0.015 0.000 2.365 268 Q HA 0.381 4.721 4.340 0.000 0.000 0.269 268 Q C -2.683 173.271 176.000 -0.077 0.000 1.061 268 Q CA -2.266 53.501 55.803 -0.061 0.000 0.816 268 Q CB 2.450 31.071 28.738 -0.196 0.000 1.325 268 Q HN 0.260 nan 8.270 nan 0.000 0.446 269 P HA 0.065 nan 4.420 nan 0.000 0.286 269 P C 0.579 177.825 177.300 -0.089 0.000 1.269 269 P CA -0.429 62.640 63.100 -0.050 0.000 0.787 269 P CB 1.075 32.765 31.700 -0.016 0.000 0.920 270 L N 3.656 124.816 121.223 -0.105 0.000 1.989 270 L HA -0.057 4.284 4.340 0.000 0.000 0.211 270 L C 1.045 177.881 176.870 -0.056 0.000 1.071 270 L CA 2.513 57.277 54.840 -0.126 0.000 0.749 270 L CB -0.956 41.049 42.059 -0.090 0.000 0.890 270 L HN 0.584 nan 8.230 nan 0.000 0.431 271 T N -4.532 110.007 114.554 -0.024 0.000 2.907 271 T HA 0.310 4.660 4.350 0.000 0.000 0.290 271 T C 0.535 175.236 174.700 0.002 0.000 1.066 271 T CA -0.095 62.004 62.100 -0.002 0.000 1.012 271 T CB 1.163 70.035 68.868 0.008 0.000 1.184 271 T HN 0.296 nan 8.240 nan 0.000 0.522 272 D N -0.315 120.092 120.400 0.011 0.000 2.378 272 D HA -0.047 4.593 4.640 0.000 0.000 0.222 272 D C 1.188 177.494 176.300 0.011 0.000 0.980 272 D CA 0.354 54.362 54.000 0.013 0.000 0.907 272 D CB -0.300 40.511 40.800 0.018 0.000 0.899 272 D HN 0.351 nan 8.370 nan 0.000 0.527 273 K N 0.114 120.520 120.400 0.009 0.000 2.437 273 K HA 0.087 4.407 4.320 0.000 0.000 0.198 273 K C 0.299 176.904 176.600 0.007 0.000 1.024 273 K CA 0.157 56.449 56.287 0.009 0.000 1.148 273 K CB 0.081 32.588 32.500 0.011 0.000 0.860 273 K HN 0.361 nan 8.250 nan 0.000 0.515 274 D N -0.103 120.299 120.400 0.003 0.000 2.501 274 D HA 0.234 4.874 4.640 0.000 0.000 0.224 274 D C 1.208 177.502 176.300 -0.010 0.000 1.202 274 D CA -0.008 53.991 54.000 -0.002 0.000 0.829 274 D CB 0.383 41.180 40.800 -0.006 0.000 1.023 274 D HN 0.268 nan 8.370 nan 0.000 0.499 275 M N 0.112 119.709 119.600 -0.005 0.000 2.159 275 M HA -0.099 4.381 4.480 0.000 0.000 0.263 275 M C 1.926 178.214 176.300 -0.019 0.000 1.063 275 M CA 1.152 56.448 55.300 -0.006 0.000 1.110 275 M CB -0.035 32.569 32.600 0.005 0.000 1.374 275 M HN -0.040 nan 8.290 nan 0.000 0.411 276 E N 0.627 120.818 120.200 -0.016 0.000 2.077 276 E HA -0.160 4.190 4.350 0.000 0.000 0.193 276 E C 2.095 178.664 176.600 -0.052 0.000 0.989 276 E CA 1.449 57.836 56.400 -0.022 0.000 0.800 276 E CB -0.041 29.656 29.700 -0.006 0.000 0.746 276 E HN 0.487 nan 8.360 nan 0.000 0.452 277 A N 0.826 123.617 122.820 -0.048 0.000 1.908 277 A HA -0.153 4.167 4.320 0.000 0.000 0.218 277 A C 2.536 179.966 177.584 -0.257 0.000 1.181 277 A CA 1.352 53.337 52.037 -0.087 0.000 0.627 277 A CB -0.664 18.332 19.000 -0.005 0.000 0.818 277 A HN 0.137 nan 8.150 nan 0.000 0.445 278 V N 0.016 119.828 119.914 -0.169 0.000 2.295 278 V HA -0.294 3.826 4.120 0.000 0.000 0.246 278 V C 2.428 178.367 176.094 -0.259 0.000 1.049 278 V CA 2.422 64.610 62.300 -0.187 0.000 1.024 278 V CB -0.858 30.936 31.823 -0.048 0.000 0.648 278 V HN 0.665 nan 8.190 nan 0.000 0.447 279 E N -0.469 119.640 120.200 -0.151 0.000 2.077 279 E HA -0.235 4.115 4.350 0.000 0.000 0.193 279 E C 2.220 178.724 176.600 -0.160 0.000 0.989 279 E CA 1.532 57.876 56.400 -0.093 0.000 0.800 279 E CB -0.241 29.448 29.700 -0.018 0.000 0.746 279 E HN 0.538 nan 8.360 nan 0.000 0.452 280 M N 0.268 119.736 119.600 -0.220 0.000 2.159 280 M HA -0.146 4.334 4.480 0.000 0.000 0.263 280 M C 2.442 178.460 176.300 -0.471 0.000 1.063 280 M CA 1.436 56.602 55.300 -0.224 0.000 1.110 280 M CB -0.153 32.382 32.600 -0.109 0.000 1.374 280 M HN 0.143 nan 8.290 nan 0.000 0.411 281 A N 0.157 122.404 122.820 -0.955 0.000 1.898 281 A HA -0.152 4.168 4.320 0.000 0.000 0.216 281 A C 1.919 178.836 177.584 -1.113 0.000 1.181 281 A CA 1.563 52.814 52.037 -1.311 0.000 0.620 281 A CB -0.596 17.431 19.000 -1.621 0.000 0.819 281 A HN 0.504 nan 8.150 nan 0.000 0.442 282 E N -0.029 119.643 120.200 -0.878 0.000 2.077 282 E HA -0.183 4.167 4.350 0.000 0.000 0.193 282 E C 1.803 178.053 176.600 -0.584 0.000 0.989 282 E CA 1.092 57.031 56.400 -0.769 0.000 0.800 282 E CB -0.177 29.196 29.700 -0.544 0.000 0.746 282 E HN 0.525 nan 8.360 nan 0.000 0.452 283 N N 1.190 119.775 118.700 -0.191 0.000 2.025 283 N HA -0.152 4.588 4.740 0.000 0.000 0.194 283 N C 1.358 176.977 175.510 0.181 0.000 1.044 283 N CA 1.361 54.488 53.050 0.128 0.000 0.851 283 N CB -0.374 38.191 38.487 0.131 0.000 1.036 283 N HN 0.120 nan 8.380 nan 0.000 0.422 284 D N 0.055 120.471 120.400 0.027 0.000 2.264 284 D HA -0.007 4.633 4.640 0.000 0.000 0.208 284 D C 0.892 177.309 176.300 0.195 0.000 0.966 284 D CA 0.744 54.766 54.000 0.037 0.000 0.864 284 D CB -0.141 40.663 40.800 0.006 0.000 0.933 284 D HN 0.336 nan 8.370 nan 0.000 0.499 285 N N -0.642 118.156 118.700 0.164 0.000 2.197 285 N HA 0.128 4.868 4.740 0.000 0.000 0.201 285 N C 1.320 177.063 175.510 0.388 0.000 1.148 285 N CA 0.051 53.282 53.050 0.302 0.000 0.883 285 N CB 1.820 40.403 38.487 0.159 0.000 1.012 285 N HN 0.080 nan 8.380 nan 0.000 0.507 286 R N -0.855 119.765 120.500 0.201 0.000 3.718 286 R HA 0.172 4.512 4.340 0.000 0.000 0.136 286 R C 0.936 177.326 176.300 0.150 0.000 0.698 286 R CA -0.080 56.032 56.100 0.020 0.000 1.110 286 R CB -0.217 29.774 30.300 -0.514 0.000 1.594 286 R HN -0.009 nan 8.270 nan 0.000 0.490 287 W N 1.626 123.036 121.300 0.182 0.000 2.388 287 W HA -0.154 4.506 4.660 0.000 0.000 0.294 287 W C 1.963 178.584 176.519 0.169 0.000 1.212 287 W CA 0.393 57.846 57.345 0.181 0.000 1.271 287 W CB -0.265 29.255 29.460 0.099 0.000 1.126 287 W HN 0.373 nan 8.180 nan 0.000 0.535 288 W N 0.402 121.902 121.300 0.333 0.000 2.342 288 W HA -0.270 4.390 4.660 0.000 0.000 0.297 288 W C 1.751 178.370 176.519 0.166 0.000 1.213 288 W CA 1.033 58.501 57.345 0.205 0.000 1.251 288 W CB -1.885 27.661 29.460 0.143 0.000 1.136 288 W HN 0.024 nan 8.180 nan 0.000 0.526 289 F N 0.676 119.835 119.950 -1.317 0.000 2.098 289 F HA -0.045 4.482 4.527 0.000 0.000 0.294 289 F C 2.282 177.598 175.800 -0.806 0.000 1.107 289 F CA 1.963 59.098 58.000 -1.441 0.000 1.234 289 F CB -0.975 37.119 39.000 -1.510 0.000 1.002 289 F HN -0.286 nan 8.300 nan 0.000 0.472 290 F N 0.687 120.500 119.950 -0.228 0.000 2.325 290 F HA -0.114 4.413 4.527 0.000 0.000 0.299 290 F C 2.088 177.714 175.800 -0.291 0.000 1.090 290 F CA 1.117 58.967 58.000 -0.250 0.000 1.392 290 F CB -0.615 38.352 39.000 -0.055 0.000 1.053 290 F HN -0.044 nan 8.300 nan 0.000 0.521 291 D N -0.000 120.448 120.400 0.081 0.000 2.219 291 D HA -0.104 4.536 4.640 0.000 0.000 0.205 291 D C 2.297 178.535 176.300 -0.103 0.000 0.970 291 D CA 1.140 55.167 54.000 0.045 0.000 0.851 291 D CB -0.381 40.502 40.800 0.139 0.000 0.943 291 D HN 0.230 nan 8.370 nan 0.000 0.488 292 A N 1.008 123.689 122.820 -0.232 0.000 1.873 292 A HA -0.093 4.227 4.320 0.000 0.000 0.215 292 A C 2.217 179.591 177.584 -0.350 0.000 1.186 292 A CA 1.219 53.082 52.037 -0.289 0.000 0.616 292 A CB -0.675 18.089 19.000 -0.393 0.000 0.823 292 A HN 0.393 nan 8.150 nan 0.000 0.442 293 I N -4.004 116.268 120.570 -0.496 0.000 3.419 293 I HA 0.188 4.358 4.170 0.000 0.000 0.286 293 I C 1.668 177.593 176.117 -0.319 0.000 1.268 293 I CA 0.753 61.796 61.300 -0.428 0.000 1.414 293 I CB -0.002 37.652 38.000 -0.577 0.000 1.074 293 I HN 0.189 nan 8.210 nan 0.000 0.457 294 I N 0.688 121.083 120.570 -0.291 0.000 3.039 294 I HA 0.112 4.282 4.170 0.000 0.000 0.270 294 I C 2.233 178.255 176.117 -0.158 0.000 1.150 294 I CA 0.372 61.526 61.300 -0.242 0.000 1.448 294 I CB 0.073 37.869 38.000 -0.340 0.000 1.197 294 I HN 0.006 nan 8.210 nan 0.000 0.450 295 R N 0.548 120.974 120.500 -0.124 0.000 2.365 295 R HA 0.283 4.623 4.340 0.000 0.000 0.223 295 R C 1.228 177.485 176.300 -0.072 0.000 0.899 295 R CA 0.614 56.673 56.100 -0.068 0.000 1.059 295 R CB 0.827 31.117 30.300 -0.017 0.000 1.086 295 R HN 0.377 nan 8.270 nan 0.000 0.522 296 G N 1.807 110.543 108.800 -0.107 0.000 2.168 296 G HA2 -0.325 3.635 3.960 0.000 0.000 0.263 296 G HA3 -0.325 3.635 3.960 0.000 0.000 0.263 296 G C -0.246 174.618 174.900 -0.061 0.000 0.977 296 G CA 0.174 45.216 45.100 -0.097 0.000 0.659 296 G HN 0.385 nan 8.290 nan 0.000 0.533 297 E N -0.380 119.795 120.200 -0.043 0.000 2.259 297 E HA 0.713 5.063 4.350 0.000 0.000 0.281 297 E C 0.148 176.764 176.600 0.027 0.000 1.037 297 E CA -0.128 56.273 56.400 0.002 0.000 0.854 297 E CB 1.533 31.248 29.700 0.024 0.000 1.051 297 E HN 0.458 nan 8.360 nan 0.000 0.409 298 I N 1.156 121.762 120.570 0.061 0.000 3.066 298 I HA 0.232 4.402 4.170 0.000 0.000 0.307 298 I C -1.254 174.943 176.117 0.134 0.000 1.366 298 I CA -0.413 60.961 61.300 0.122 0.000 0.972 298 I CB 2.618 40.687 38.000 0.115 0.000 1.307 298 I HN 0.340 nan 8.210 nan 0.000 0.470 299 T N 4.433 119.087 114.554 0.168 0.000 2.758 299 T HA 0.447 4.797 4.350 0.000 0.000 0.285 299 T C -0.649 174.097 174.700 0.076 0.000 0.981 299 T CA -0.392 61.765 62.100 0.095 0.000 0.965 299 T CB 0.832 69.730 68.868 0.049 0.000 0.927 299 T HN 0.425 nan 8.240 nan 0.000 0.448 300 R N 2.299 122.800 120.500 0.001 0.000 2.360 300 R HA 0.538 4.878 4.340 0.000 0.000 0.318 300 R C 1.117 177.326 176.300 -0.153 0.000 0.950 300 R CA 0.353 56.366 56.100 -0.145 0.000 0.837 300 R CB 0.512 30.779 30.300 -0.056 0.000 1.165 300 R HN 0.892 nan 8.270 nan 0.000 0.458 301 G N 2.939 111.609 108.800 -0.217 0.000 2.815 301 G HA2 -0.508 3.452 3.960 0.000 0.000 0.326 301 G HA3 -0.508 3.452 3.960 0.000 0.000 0.326 301 G C 0.341 175.180 174.900 -0.103 0.000 1.191 301 G CA 0.721 45.731 45.100 -0.149 0.000 0.965 301 G HN 0.816 nan 8.290 nan 0.000 0.564 302 N N 1.574 120.230 118.700 -0.074 0.000 2.517 302 N HA 0.553 5.293 4.740 0.000 0.000 0.285 302 N C -0.056 175.431 175.510 -0.037 0.000 1.528 302 N CA 1.108 54.125 53.050 -0.055 0.000 0.892 302 N CB 0.132 nan 38.487 nan 0.000 1.356 302 N HN 1.073 nan 8.380 nan 0.000 0.495 303 E N -1.220 118.962 120.200 -0.030 0.000 2.340 303 E HA 0.483 4.833 4.350 0.000 0.000 0.273 303 E C -1.414 175.189 176.600 0.006 0.000 0.891 303 E CA -0.991 55.401 56.400 -0.013 0.000 0.757 303 E CB 1.650 31.343 29.700 -0.013 0.000 1.231 303 E HN 0.031 nan 8.360 nan 0.000 0.439 304 K N 1.948 122.355 120.400 0.012 0.000 2.292 304 K HA 0.471 4.791 4.320 0.000 0.000 0.270 304 K C -0.079 176.536 176.600 0.025 0.000 1.062 304 K CA -0.456 55.846 56.287 0.026 0.000 0.916 304 K CB -0.397 32.117 32.500 0.024 0.000 1.166 304 K HN 0.575 nan 8.250 nan 0.000 0.458 305 I N -2.061 118.530 120.570 0.034 0.000 3.067 305 I HA 0.762 4.932 4.170 0.000 0.000 0.312 305 I C -0.580 175.551 176.117 0.022 0.000 1.073 305 I CA -1.416 59.900 61.300 0.027 0.000 1.016 305 I CB 2.175 40.195 38.000 0.034 0.000 1.227 305 I HN 0.180 nan 8.210 nan 0.000 0.456 306 V N 3.003 122.923 119.914 0.010 0.000 2.417 306 V HA 0.505 4.625 4.120 0.000 0.000 0.291 306 V C -0.066 176.024 176.094 -0.006 0.000 1.024 306 V CA -0.518 61.781 62.300 -0.003 0.000 0.861 306 V CB 1.319 33.136 31.823 -0.010 0.000 0.985 306 V HN 0.649 nan 8.190 nan 0.000 0.436 307 R N 2.822 123.310 120.500 -0.019 0.000 2.246 307 R HA 0.316 4.656 4.340 0.000 0.000 0.332 307 R C 0.063 176.338 176.300 -0.042 0.000 0.974 307 R CA -0.614 55.471 56.100 -0.025 0.000 0.837 307 R CB 1.230 31.511 30.300 -0.031 0.000 1.145 307 R HN 0.681 nan 8.270 nan 0.000 0.467 308 D N 1.726 122.107 120.400 -0.032 0.000 2.263 308 D HA -0.187 4.453 4.640 0.000 0.000 0.208 308 D C 1.167 177.438 176.300 -0.048 0.000 0.971 308 D CA 1.341 55.319 54.000 -0.037 0.000 0.867 308 D CB 0.216 41.002 40.800 -0.024 0.000 0.929 308 D HN 0.649 nan 8.370 nan 0.000 0.492 309 D N 0.322 120.693 120.400 -0.048 0.000 2.323 309 D HA -0.093 4.547 4.640 0.000 0.000 0.209 309 D C 1.992 178.236 176.300 -0.093 0.000 0.973 309 D CA 0.222 54.189 54.000 -0.055 0.000 0.874 309 D CB -0.117 40.661 40.800 -0.036 0.000 0.930 309 D HN 0.265 nan 8.370 nan 0.000 0.521 310 L N -0.177 120.979 121.223 -0.112 0.000 2.298 310 L HA 0.118 4.458 4.340 0.000 0.000 0.209 310 L C 1.534 178.298 176.870 -0.177 0.000 1.084 310 L CA -0.136 54.609 54.840 -0.159 0.000 0.816 310 L CB -0.216 41.737 42.059 -0.176 0.000 0.967 310 L HN -0.172 nan 8.230 nan 0.000 0.460 311 K N 1.151 121.469 120.400 -0.137 0.000 2.484 311 K HA 0.099 4.419 4.320 0.000 0.000 0.280 311 K C 0.970 177.473 176.600 -0.161 0.000 1.013 311 K CA 0.912 57.120 56.287 -0.132 0.000 1.029 311 K CB 0.293 32.742 32.500 -0.086 0.000 0.902 311 K HN 0.264 nan 8.250 nan 0.000 0.481 312 G N 3.523 112.215 108.800 -0.180 0.000 2.153 312 G HA2 -0.276 3.684 3.960 0.000 0.000 0.252 312 G HA3 -0.276 3.684 3.960 0.000 0.000 0.252 312 G C 0.072 174.748 174.900 -0.373 0.000 0.994 312 G CA 0.244 45.225 45.100 -0.198 0.000 0.698 312 G HN 0.627 nan 8.290 nan 0.000 0.521 313 R N -0.644 119.558 120.500 -0.497 0.000 4.680 313 R HA 0.677 5.017 4.340 0.000 0.000 0.222 313 R C -0.294 175.521 176.300 -0.808 0.000 1.803 313 R CA -0.046 55.443 56.100 -1.019 0.000 1.560 313 R CB -0.009 29.874 30.300 -0.695 0.000 1.412 313 R HN 0.384 nan 8.270 nan 0.000 0.815 314 L N -0.458 120.439 121.223 -0.543 0.000 2.705 314 L HA 0.259 4.599 4.340 0.000 0.000 0.260 314 L C -0.725 176.172 176.870 0.046 0.000 0.921 314 L CA -0.016 54.754 54.840 -0.116 0.000 0.948 314 L CB 2.154 44.127 42.059 -0.142 0.000 1.427 314 L HN 0.124 nan 8.230 nan 0.000 0.432 315 D N 3.118 123.632 120.400 0.189 0.000 2.380 315 D HA 0.163 4.803 4.640 0.000 0.000 0.212 315 D C -0.496 175.891 176.300 0.146 0.000 1.021 315 D CA 0.958 55.115 54.000 0.261 0.000 0.884 315 D CB 0.507 41.572 40.800 0.443 0.000 1.001 315 D HN 0.483 nan 8.370 nan 0.000 0.506 316 W N 0.191 121.391 121.300 -0.167 0.000 3.066 316 W HA 0.527 5.187 4.660 0.000 0.000 0.330 316 W C -2.047 174.364 176.519 -0.180 0.000 1.253 316 W CA -0.938 56.148 57.345 -0.433 0.000 1.187 316 W CB 0.277 29.188 29.460 -0.914 0.000 1.434 316 W HN -0.408 nan 8.180 nan 0.000 0.572 317 I N 2.132 122.712 120.570 0.016 0.000 2.406 317 I HA 0.466 4.636 4.170 0.000 0.000 0.290 317 I C 0.640 176.837 176.117 0.133 0.000 0.999 317 I CA -0.788 60.433 61.300 -0.133 0.000 1.124 317 I CB 2.008 39.756 38.000 -0.420 0.000 1.289 317 I HN 0.612 nan 8.210 nan 0.000 0.441 318 G N 5.846 114.679 108.800 0.055 0.000 2.327 318 G HA2 0.472 4.432 3.960 0.000 0.000 0.302 318 G HA3 0.472 4.432 3.960 0.000 0.000 0.302 318 G C -0.532 174.455 174.900 0.144 0.000 1.113 318 G CA -0.243 45.032 45.100 0.292 0.000 0.921 318 G HN 0.353 nan 8.290 nan 0.000 0.425 319 V N 4.213 124.222 119.914 0.158 0.000 2.348 319 V HA 0.193 4.313 4.120 0.000 0.000 0.270 319 V C -0.356 175.846 176.094 0.179 0.000 1.037 319 V CA -1.011 61.376 62.300 0.146 0.000 0.872 319 V CB 0.754 32.666 31.823 0.149 0.000 1.002 319 V HN 0.606 nan 8.190 nan 0.000 0.464 320 N N 3.932 122.738 118.700 0.177 0.000 2.438 320 N HA 0.529 5.269 4.740 0.000 0.000 0.282 320 N C -1.089 174.517 175.510 0.161 0.000 1.037 320 N CA -0.297 52.821 53.050 0.114 0.000 0.942 320 N CB 1.473 40.020 38.487 0.100 0.000 1.136 320 N HN 0.705 nan 8.380 nan 0.000 0.481 321 Y N 1.788 122.017 120.300 -0.119 0.000 2.399 321 Y HA 0.306 4.856 4.550 0.000 0.000 0.327 321 Y C -1.051 174.716 175.900 -0.220 0.000 1.111 321 Y CA -0.554 57.520 58.100 -0.042 0.000 1.047 321 Y CB 0.667 39.168 38.460 0.068 0.000 1.259 321 Y HN 0.592 nan 8.280 nan 0.000 0.434 322 Y N 2.159 122.027 120.300 -0.720 0.000 2.652 322 Y HA 0.383 4.933 4.550 0.000 0.000 0.275 322 Y C 0.991 176.616 175.900 -0.457 0.000 1.133 322 Y CA 0.701 58.602 58.100 -0.331 0.000 1.246 322 Y CB 1.421 39.823 38.460 -0.098 0.000 1.334 322 Y HN 0.624 nan 8.280 nan 0.000 0.493 323 T N -0.422 113.710 114.554 -0.704 0.000 2.661 323 T HA 0.413 4.763 4.350 0.000 0.000 0.305 323 T C -1.582 172.998 174.700 -0.200 0.000 1.441 323 T CA -0.971 61.012 62.100 -0.195 0.000 0.999 323 T CB 1.032 69.915 68.868 0.025 0.000 1.650 323 T HN 0.186 nan 8.240 nan 0.000 0.489 324 R N 0.170 120.629 120.500 -0.069 0.000 2.608 324 R HA 0.835 5.175 4.340 0.000 0.000 0.255 324 R C -0.946 175.118 176.300 -0.392 0.000 1.086 324 R CA -0.673 55.287 56.100 -0.232 0.000 1.125 324 R CB 0.688 30.689 30.300 -0.499 0.000 1.193 324 R HN 0.463 nan 8.270 nan 0.000 0.553 325 T N 0.830 115.089 114.554 -0.491 0.000 2.841 325 T HA 0.314 4.664 4.350 0.000 0.000 0.285 325 T C -0.828 173.704 174.700 -0.279 0.000 0.991 325 T CA -0.690 61.157 62.100 -0.423 0.000 0.966 325 T CB 1.770 70.319 68.868 -0.532 0.000 0.962 325 T HN 0.328 nan 8.240 nan 0.000 0.438 326 V N 4.642 124.413 119.914 -0.239 0.000 2.407 326 V HA 0.573 4.693 4.120 0.000 0.000 0.278 326 V C 0.264 176.292 176.094 -0.110 0.000 1.037 326 V CA -0.542 61.592 62.300 -0.278 0.000 0.900 326 V CB 1.144 32.571 31.823 -0.661 0.000 0.983 326 V HN 0.772 nan 8.190 nan 0.000 0.459 327 V N 3.014 122.898 119.914 -0.050 0.000 2.864 327 V HA 0.861 4.981 4.120 0.000 0.000 0.314 327 V C -0.627 175.478 176.094 0.018 0.000 1.073 327 V CA -1.022 61.305 62.300 0.045 0.000 0.956 327 V CB 1.862 33.733 31.823 0.081 0.000 1.023 327 V HN 0.954 nan 8.190 nan 0.000 0.435 328 K N 1.017 121.458 120.400 0.068 0.000 2.435 328 K HA 0.909 5.229 4.320 0.000 0.000 0.251 328 K C -0.306 176.343 176.600 0.081 0.000 0.954 328 K CA -0.663 55.653 56.287 0.048 0.000 0.820 328 K CB 1.980 34.499 32.500 0.032 0.000 1.292 328 K HN 1.088 nan 8.250 nan 0.000 0.436 329 R N 1.060 121.593 120.500 0.056 0.000 2.543 329 R HA 0.347 4.687 4.340 0.000 0.000 0.277 329 R C -0.386 175.941 176.300 0.046 0.000 1.074 329 R CA 0.048 56.184 56.100 0.061 0.000 1.076 329 R CB 0.316 30.637 30.300 0.037 0.000 0.993 329 R HN 0.719 nan 8.270 nan 0.000 0.459 330 T N 1.038 115.617 114.554 0.042 0.000 2.916 330 T HA 0.528 4.878 4.350 0.000 0.000 0.292 330 T C 1.796 176.500 174.700 0.007 0.000 1.055 330 T CA 0.204 62.312 62.100 0.014 0.000 1.009 330 T CB 1.659 70.522 68.868 -0.009 0.000 1.118 330 T HN 0.879 nan 8.240 nan 0.000 0.497 331 E N 1.555 121.755 120.200 -0.001 0.000 2.055 331 E HA -0.243 4.107 4.350 0.000 0.000 0.209 331 E C 2.177 178.771 176.600 -0.010 0.000 1.036 331 E CA 2.668 59.065 56.400 -0.004 0.000 0.849 331 E CB -1.371 nan 29.700 nan 0.000 0.767 331 E HN 0.765 nan 8.360 nan 0.000 0.461 332 K N -0.150 120.237 120.400 -0.022 0.000 2.459 332 K HA 0.491 4.811 4.320 0.000 0.000 0.193 332 K C 1.696 178.272 176.600 -0.041 0.000 1.030 332 K CA 1.671 57.937 56.287 -0.034 0.000 1.026 332 K CB -0.032 nan 32.500 nan 0.000 0.809 332 K HN 1.259 nan 8.250 nan 0.000 0.504 333 G N -1.473 107.311 108.800 -0.027 0.000 2.168 333 G HA2 0.319 4.279 3.960 0.000 0.000 0.066 333 G HA3 0.319 4.279 3.960 0.000 0.000 0.066 333 G C -0.910 174.036 174.900 0.076 0.000 0.769 333 G CA 0.235 45.338 45.100 0.005 0.000 1.176 333 G HN 1.024 nan 8.290 nan 0.000 0.423 334 Y N -0.090 120.182 120.300 -0.047 0.000 2.597 334 Y HA 0.806 5.356 4.550 0.000 0.000 0.340 334 Y C -0.675 175.204 175.900 -0.034 0.000 1.097 334 Y CA -1.068 57.007 58.100 -0.042 0.000 1.037 334 Y CB 1.792 40.218 38.460 -0.057 0.000 1.305 334 Y HN 1.197 nan 8.280 nan 0.000 0.463 335 V N -0.174 119.790 119.914 0.082 0.000 2.925 335 V HA 0.861 4.981 4.120 0.000 0.000 0.311 335 V C -0.419 175.777 176.094 0.171 0.000 1.104 335 V CA -0.544 61.764 62.300 0.014 0.000 0.954 335 V CB 1.182 32.996 31.823 -0.016 0.000 1.022 335 V HN 1.243 nan 8.190 nan 0.000 0.427 336 S N 3.328 119.116 115.700 0.147 0.000 2.617 336 S HA 0.832 5.302 4.470 0.000 0.000 0.283 336 S C -0.534 174.117 174.600 0.085 0.000 1.189 336 S CA -0.782 57.499 58.200 0.134 0.000 1.036 336 S CB 1.293 64.581 63.200 0.146 0.000 1.014 336 S HN 0.799 nan 8.310 nan 0.000 0.522 337 L N 1.992 123.264 121.223 0.082 0.000 2.307 337 L HA 0.590 4.930 4.340 0.000 0.000 0.284 337 L C 1.089 178.061 176.870 0.170 0.000 1.023 337 L CA -0.862 54.061 54.840 0.138 0.000 0.810 337 L CB 1.346 43.520 42.059 0.191 0.000 1.231 337 L HN 0.996 nan 8.230 nan 0.000 0.423 338 G N 0.515 109.391 108.800 0.127 0.000 2.614 338 G HA2 0.380 4.340 3.960 0.000 0.000 0.239 338 G HA3 0.380 4.340 3.960 0.000 0.000 0.239 338 G C 0.907 175.843 174.900 0.061 0.000 1.240 338 G CA 0.468 45.623 45.100 0.093 0.000 0.842 338 G HN 1.044 nan 8.290 nan 0.000 0.584 339 G N -0.917 107.877 108.800 -0.009 0.000 2.176 339 G HA2 -0.224 3.736 3.960 0.000 0.000 0.253 339 G HA3 -0.224 3.736 3.960 0.000 0.000 0.253 339 G C 0.047 174.712 174.900 -0.392 0.000 0.979 339 G CA 0.905 45.893 45.100 -0.186 0.000 0.641 339 G HN 0.862 nan 8.290 nan 0.000 0.530 340 Y N -1.050 119.251 120.300 0.002 0.000 2.634 340 Y HA 0.595 5.145 4.550 0.000 0.000 0.340 340 Y C 1.333 177.189 175.900 -0.072 0.000 1.058 340 Y CA 0.083 58.166 58.100 -0.028 0.000 1.081 340 Y CB 1.069 39.481 38.460 -0.081 0.000 1.295 340 Y HN 1.126 nan 8.280 nan 0.000 0.487 341 G N 0.930 109.782 108.800 0.087 0.000 2.611 341 G HA2 -0.373 3.588 3.960 0.000 0.000 0.301 341 G HA3 -0.373 3.588 3.960 0.000 0.000 0.301 341 G C 0.742 175.628 174.900 -0.024 0.000 1.233 341 G CA 0.784 45.839 45.100 -0.075 0.000 0.993 341 G HN 1.196 nan 8.290 nan 0.000 0.553 342 H N 1.090 120.072 119.070 -0.147 0.000 2.539 342 H HA 0.369 4.925 4.556 0.000 0.000 0.267 342 H C 1.651 176.999 175.328 0.033 0.000 0.982 342 H CA 0.708 56.611 56.048 -0.242 0.000 1.146 342 H CB 0.010 29.306 29.762 -0.777 0.000 1.382 342 H HN 0.810 nan 8.280 nan 0.000 0.577 343 G N 1.322 110.240 108.800 0.197 0.000 4.125 343 G HA2 0.306 4.267 3.960 0.000 0.000 0.301 343 G HA3 0.306 4.267 3.960 0.000 0.000 0.301 343 G C -0.458 174.533 174.900 0.152 0.000 1.273 343 G CA -0.236 44.991 45.100 0.212 0.000 1.095 343 G HN 0.307 nan 8.290 nan 0.000 0.582 344 C N -0.311 119.103 119.300 0.190 0.000 2.407 344 C HA 0.512 4.972 4.460 0.000 0.000 0.366 344 C C 0.591 175.670 174.990 0.149 0.000 1.213 344 C CA -0.995 58.107 59.018 0.139 0.000 2.011 344 C CB 1.685 29.513 27.740 0.147 0.000 2.306 344 C HN 0.549 nan 8.230 nan 0.000 0.527 345 E N 0.600 120.864 120.200 0.106 0.000 2.398 345 E HA 0.116 4.466 4.350 0.000 0.000 0.263 345 E C -0.148 176.519 176.600 0.111 0.000 1.046 345 E CA 0.235 56.694 56.400 0.100 0.000 0.908 345 E CB 0.486 30.229 29.700 0.072 0.000 0.963 345 E HN 0.411 nan 8.360 nan 0.000 0.431 346 R N 2.155 122.716 120.500 0.100 0.000 2.543 346 R HA 0.048 4.388 4.340 0.000 0.000 0.277 346 R C -0.135 176.201 176.300 0.059 0.000 1.074 346 R CA -0.039 56.110 56.100 0.082 0.000 1.076 346 R CB -0.004 30.329 30.300 0.055 0.000 0.993 346 R HN 0.620 nan 8.270 nan 0.000 0.459 347 N N 0.048 118.780 118.700 0.054 0.000 2.688 347 N HA -0.244 4.496 4.740 0.000 0.000 0.258 347 N C -0.827 174.703 175.510 0.033 0.000 1.016 347 N CA 0.996 54.072 53.050 0.042 0.000 0.747 347 N CB -0.428 38.076 38.487 0.029 0.000 0.895 347 N HN 0.576 nan 8.380 nan 0.000 0.543 348 S N -1.463 114.268 115.700 0.052 0.000 3.629 348 S HA 0.776 5.246 4.470 0.000 0.000 0.319 348 S C -1.365 173.276 174.600 0.067 0.000 1.149 348 S CA -0.415 57.814 58.200 0.049 0.000 1.099 348 S CB 1.564 64.805 63.200 0.069 0.000 1.433 348 S HN 0.036 nan 8.310 nan 0.000 0.736 349 V N 2.037 122.007 119.914 0.093 0.000 2.876 349 V HA 0.651 4.771 4.120 0.000 0.000 0.312 349 V C 0.052 176.191 176.094 0.075 0.000 1.085 349 V CA -0.253 62.111 62.300 0.106 0.000 0.945 349 V CB 2.040 33.955 31.823 0.153 0.000 1.017 349 V HN 1.054 nan 8.190 nan 0.000 0.428 350 S N 4.480 120.224 115.700 0.073 0.000 2.641 350 S HA 0.367 4.837 4.470 0.000 0.000 0.261 350 S C 1.164 175.706 174.600 -0.097 0.000 1.257 350 S CA -0.433 57.758 58.200 -0.015 0.000 0.983 350 S CB 0.483 63.701 63.200 0.031 0.000 0.990 350 S HN 0.584 nan 8.310 nan 0.000 0.572 351 L N 0.139 121.164 121.223 -0.331 0.000 2.261 351 L HA -0.085 4.255 4.340 0.000 0.000 0.216 351 L C 2.533 179.343 176.870 -0.100 0.000 1.114 351 L CA 1.401 56.040 54.840 -0.336 0.000 0.777 351 L CB -0.842 40.792 42.059 -0.708 0.000 0.910 351 L HN 0.912 nan 8.230 nan 0.000 0.440 352 A N -0.638 122.195 122.820 0.023 0.000 2.307 352 A HA 0.351 4.671 4.320 0.000 0.000 0.218 352 A C 1.676 179.344 177.584 0.139 0.000 1.228 352 A CA 0.588 52.736 52.037 0.185 0.000 0.857 352 A CB -0.322 18.875 19.000 0.330 0.000 0.897 352 A HN 0.489 nan 8.150 nan 0.000 0.495 353 G N -1.007 107.850 108.800 0.095 0.000 2.143 353 G HA2 -0.228 3.732 3.960 0.000 0.000 0.248 353 G HA3 -0.228 3.732 3.960 0.000 0.000 0.248 353 G C 0.032 175.004 174.900 0.121 0.000 0.991 353 G CA 0.469 45.628 45.100 0.098 0.000 0.689 353 G HN 0.462 nan 8.290 nan 0.000 0.522 354 L N 1.879 123.199 121.223 0.161 0.000 2.334 354 L HA 0.462 4.802 4.340 0.000 0.000 0.277 354 L C -1.434 175.546 176.870 0.185 0.000 1.075 354 L CA -2.373 52.587 54.840 0.199 0.000 0.804 354 L CB 1.256 43.512 42.059 0.328 0.000 1.174 354 L HN -0.070 nan 8.230 nan 0.000 0.438 355 P HA 0.069 nan 4.420 nan 0.000 0.271 355 P C -0.661 176.778 177.300 0.233 0.000 1.216 355 P CA -0.257 62.916 63.100 0.122 0.000 0.776 355 P CB 0.779 32.484 31.700 0.009 0.000 0.881 356 T N -0.996 113.671 114.554 0.189 0.000 2.945 356 T HA 0.521 4.871 4.350 0.000 0.000 0.286 356 T C 0.544 175.357 174.700 0.188 0.000 1.025 356 T CA -0.628 61.610 62.100 0.230 0.000 1.039 356 T CB 0.806 69.793 68.868 0.199 0.000 1.068 356 T HN 0.459 nan 8.240 nan 0.000 0.497 357 S N 0.819 116.632 115.700 0.189 0.000 2.652 357 S HA 0.238 4.708 4.470 0.000 0.000 0.267 357 S C 0.540 175.135 174.600 -0.008 0.000 1.201 357 S CA -0.450 57.794 58.200 0.072 0.000 0.996 357 S CB 0.079 63.281 63.200 0.003 0.000 1.054 357 S HN 0.671 nan 8.310 nan 0.000 0.561 358 D N -0.268 120.067 120.400 -0.108 0.000 2.315 358 D HA -0.024 4.616 4.640 0.000 0.000 0.211 358 D C 0.760 176.967 176.300 -0.155 0.000 0.977 358 D CA 1.027 54.938 54.000 -0.149 0.000 0.894 358 D CB -0.296 40.357 40.800 -0.246 0.000 0.910 358 D HN 0.497 nan 8.370 nan 0.000 0.490 359 F N -0.358 119.364 119.950 -0.380 0.000 2.695 359 F HA 0.315 4.842 4.527 0.000 0.000 0.303 359 F C 1.564 177.187 175.800 -0.294 0.000 1.091 359 F CA 0.057 57.748 58.000 -0.516 0.000 1.300 359 F CB 0.366 38.617 39.000 -1.250 0.000 1.071 359 F HN 0.022 nan 8.300 nan 0.000 0.578 360 G N 0.048 108.913 108.800 0.108 0.000 2.182 360 G HA2 -0.276 3.684 3.960 0.000 0.000 0.248 360 G HA3 -0.276 3.684 3.960 0.000 0.000 0.248 360 G C -0.437 174.737 174.900 0.457 0.000 1.042 360 G CA -0.151 45.097 45.100 0.247 0.000 0.775 360 G HN 0.121 nan 8.290 nan 0.000 0.501 361 W N 0.670 122.080 121.300 0.183 0.000 2.478 361 W HA 0.649 5.309 4.660 0.000 0.000 0.318 361 W C 0.411 177.074 176.519 0.239 0.000 1.062 361 W CA -2.191 55.261 57.345 0.180 0.000 1.210 361 W CB 0.786 30.343 29.460 0.163 0.000 1.325 361 W HN 0.307 nan 8.180 nan 0.000 0.496 362 E N 2.278 122.744 120.200 0.443 0.000 2.354 362 E HA 0.100 4.450 4.350 0.000 0.000 0.269 362 E C -0.983 175.944 176.600 0.543 0.000 1.036 362 E CA -0.569 56.081 56.400 0.418 0.000 0.876 362 E CB 0.664 30.547 29.700 0.306 0.000 1.009 362 E HN 0.267 nan 8.360 nan 0.000 0.416 363 F N 5.740 125.948 119.950 0.430 0.000 2.466 363 F HA 0.232 4.759 4.527 0.000 0.000 0.363 363 F C -0.999 175.099 175.800 0.498 0.000 1.109 363 F CA -0.099 58.194 58.000 0.490 0.000 1.161 363 F CB 0.108 39.333 39.000 0.375 0.000 1.117 363 F HN 0.419 nan 8.300 nan 0.000 0.539 364 F N 9.725 129.723 119.950 0.080 0.000 2.824 364 F HA 0.360 4.887 4.527 0.000 0.000 0.368 364 F C -2.054 173.749 175.800 0.004 0.000 1.398 364 F CA -1.758 56.310 58.000 0.113 0.000 1.142 364 F CB 0.545 39.673 39.000 0.214 0.000 1.997 364 F HN 0.244 nan 8.300 nan 0.000 0.598 365 P HA -0.197 nan 4.420 nan 0.000 0.222 365 P C 1.362 178.354 177.300 -0.513 0.000 1.147 365 P CA 1.230 63.791 63.100 -0.897 0.000 0.790 365 P CB 0.327 31.317 31.700 -1.182 0.000 0.780 366 E N 1.236 121.076 120.200 -0.600 0.000 2.160 366 E HA -0.142 4.208 4.350 0.000 0.000 0.195 366 E C 2.201 178.678 176.600 -0.207 0.000 0.991 366 E CA 1.892 58.023 56.400 -0.449 0.000 0.810 366 E CB -1.564 27.736 29.700 -0.666 0.000 0.742 366 E HN 0.193 nan 8.360 nan 0.000 0.466 367 G N 0.544 109.299 108.800 -0.074 0.000 2.462 367 G HA2 -0.236 3.724 3.960 0.000 0.000 0.220 367 G HA3 -0.236 3.724 3.960 0.000 0.000 0.220 367 G C 1.444 176.095 174.900 -0.415 0.000 1.121 367 G CA 0.890 46.071 45.100 0.135 0.000 0.758 367 G HN 0.364 nan 8.290 nan 0.000 0.559 368 L N -0.459 120.306 121.223 -0.764 0.000 2.056 368 L HA 0.052 4.392 4.340 0.000 0.000 0.207 368 L C 2.429 179.172 176.870 -0.211 0.000 1.078 368 L CA 1.522 55.958 54.840 -0.673 0.000 0.749 368 L CB -0.863 40.981 42.059 -0.359 0.000 0.901 368 L HN 0.365 nan 8.230 nan 0.000 0.433 369 Y N 0.416 120.587 120.300 -0.215 0.000 2.097 369 Y HA -0.312 4.238 4.550 0.000 0.000 0.282 369 Y C 2.453 178.313 175.900 -0.066 0.000 1.152 369 Y CA 2.202 60.225 58.100 -0.128 0.000 1.136 369 Y CB -0.473 37.901 38.460 -0.143 0.000 0.975 369 Y HN 0.476 nan 8.280 nan 0.000 0.498 370 D N -0.461 119.953 120.400 0.024 0.000 2.106 370 D HA -0.215 4.425 4.640 0.000 0.000 0.191 370 D C 2.090 178.354 176.300 -0.060 0.000 0.997 370 D CA 2.225 56.228 54.000 0.006 0.000 0.834 370 D CB -0.427 40.441 40.800 0.114 0.000 0.956 370 D HN 0.256 nan 8.370 nan 0.000 0.448 371 V N 0.283 120.168 119.914 -0.049 0.000 2.295 371 V HA -0.208 3.912 4.120 0.000 0.000 0.246 371 V C 2.723 178.880 176.094 0.104 0.000 1.049 371 V CA 1.481 63.792 62.300 0.017 0.000 1.024 371 V CB -0.584 31.292 31.823 0.089 0.000 0.648 371 V HN 0.316 nan 8.190 nan 0.000 0.447 372 L N 0.509 121.762 121.223 0.050 0.000 2.012 372 L HA -0.208 4.132 4.340 0.000 0.000 0.210 372 L C 2.787 179.690 176.870 0.054 0.000 1.073 372 L CA 2.285 57.176 54.840 0.084 0.000 0.748 372 L CB -1.095 40.958 42.059 -0.010 0.000 0.891 372 L HN 0.605 nan 8.230 nan 0.000 0.431 373 T N -3.387 111.081 114.554 -0.144 0.000 2.857 373 T HA -0.139 4.211 4.350 0.000 0.000 0.266 373 T C 1.865 176.570 174.700 0.009 0.000 1.048 373 T CA 0.721 62.746 62.100 -0.125 0.000 1.139 373 T CB -0.137 68.490 68.868 -0.401 0.000 0.874 373 T HN 0.179 nan 8.240 nan 0.000 0.455 374 K N -0.036 120.367 120.400 0.005 0.000 2.057 374 K HA -0.045 4.275 4.320 0.000 0.000 0.207 374 K C 2.114 178.764 176.600 0.083 0.000 1.049 374 K CA 1.475 57.797 56.287 0.059 0.000 0.931 374 K CB -0.378 32.195 32.500 0.121 0.000 0.714 374 K HN 0.323 nan 8.250 nan 0.000 0.440 375 Y N 0.008 120.412 120.300 0.172 0.000 2.145 375 Y HA -0.283 4.267 4.550 0.000 0.000 0.286 375 Y C 2.171 178.050 175.900 -0.034 0.000 1.145 375 Y CA 1.307 59.482 58.100 0.126 0.000 1.148 375 Y CB -0.498 38.038 38.460 0.127 0.000 0.981 375 Y HN 0.305 nan 8.280 nan 0.000 0.507 376 W N 1.206 122.502 121.300 -0.007 0.000 2.333 376 W HA -0.289 4.372 4.660 0.000 0.000 0.316 376 W C 1.439 177.643 176.519 -0.525 0.000 1.215 376 W CA 1.924 59.162 57.345 -0.179 0.000 1.278 376 W CB -0.384 29.000 29.460 -0.125 0.000 1.154 376 W HN 0.128 nan 8.180 nan 0.000 0.486 377 N N 0.473 118.917 118.700 -0.426 0.000 2.309 377 N HA -0.166 4.574 4.740 0.000 0.000 0.182 377 N C 1.779 176.881 175.510 -0.680 0.000 1.018 377 N CA 1.478 54.174 53.050 -0.590 0.000 0.876 377 N CB -0.684 37.672 38.487 -0.218 0.000 0.972 377 N HN 0.301 nan 8.380 nan 0.000 0.434 378 R N -0.839 119.231 120.500 -0.717 0.000 2.075 378 R HA -0.004 4.336 4.340 0.000 0.000 0.226 378 R C 0.813 176.648 176.300 -0.775 0.000 1.114 378 R CA 1.231 56.769 56.100 -0.938 0.000 0.972 378 R CB 0.101 29.420 30.300 -1.635 0.000 0.869 378 R HN 0.180 nan 8.270 nan 0.000 0.437 379 Y N -2.111 117.960 120.300 -0.382 0.000 2.423 379 Y HA 0.241 4.791 4.550 0.000 0.000 0.257 379 Y C -0.245 175.517 175.900 -0.231 0.000 1.087 379 Y CA -0.332 57.638 58.100 -0.217 0.000 1.258 379 Y CB 0.217 38.605 38.460 -0.120 0.000 1.237 379 Y HN 0.127 nan 8.280 nan 0.000 0.517 380 H N -0.322 118.497 119.070 -0.417 0.000 2.741 380 H HA -0.165 4.391 4.556 0.000 0.000 0.305 380 H C -0.641 174.512 175.328 -0.291 0.000 1.169 380 H CA 0.570 56.084 56.048 -0.890 0.000 1.144 380 H CB -1.986 27.299 29.762 -0.795 0.000 1.397 380 H HN 0.181 nan 8.280 nan 0.000 0.409 381 L N 1.112 122.397 121.223 0.102 0.000 2.307 381 L HA 0.298 4.638 4.340 0.000 0.000 0.282 381 L C 0.960 178.115 176.870 0.475 0.000 1.051 381 L CA -1.331 53.668 54.840 0.265 0.000 0.804 381 L CB 0.571 42.694 42.059 0.108 0.000 1.197 381 L HN 0.237 nan 8.230 nan 0.000 0.431 382 Y N 1.656 122.204 120.300 0.414 0.000 2.511 382 Y HA 0.463 5.013 4.550 0.000 0.000 0.347 382 Y C -0.336 175.680 175.900 0.193 0.000 1.257 382 Y CA -0.805 57.452 58.100 0.261 0.000 1.469 382 Y CB 0.386 38.899 38.460 0.087 0.000 1.353 382 Y HN 0.440 nan 8.280 nan 0.000 0.617 383 M N 2.530 122.219 119.600 0.148 0.000 2.619 383 M HA 0.452 4.932 4.480 0.000 0.000 0.297 383 M C -1.754 174.508 176.300 -0.064 0.000 1.229 383 M CA -0.668 54.687 55.300 0.091 0.000 0.860 383 M CB 2.388 35.043 32.600 0.092 0.000 1.741 383 M HN 0.682 nan 8.290 nan 0.000 0.462 384 Y N -0.145 120.249 120.300 0.156 0.000 2.485 384 Y HA 0.538 5.088 4.550 0.000 0.000 0.345 384 Y C -0.356 175.613 175.900 0.116 0.000 0.998 384 Y CA -0.924 57.208 58.100 0.052 0.000 1.059 384 Y CB 1.797 40.225 38.460 -0.053 0.000 1.234 384 Y HN 0.274 nan 8.280 nan 0.000 0.461 385 V N 2.972 123.044 119.914 0.264 0.000 2.387 385 V HA 0.048 4.168 4.120 0.000 0.000 0.260 385 V C 0.667 176.838 176.094 0.128 0.000 1.054 385 V CA 0.372 62.795 62.300 0.205 0.000 0.967 385 V CB 0.242 32.218 31.823 0.255 0.000 1.036 385 V HN 1.069 nan 8.190 nan 0.000 0.481 386 T N 1.380 116.029 114.554 0.158 0.000 3.051 386 T HA 0.234 4.584 4.350 0.000 0.000 0.255 386 T C 0.430 175.199 174.700 0.115 0.000 1.085 386 T CA 0.170 62.357 62.100 0.145 0.000 1.109 386 T CB 0.343 69.345 68.868 0.224 0.000 0.921 386 T HN 0.636 nan 8.240 nan 0.000 0.488 387 E N 0.862 121.093 120.200 0.052 0.000 2.343 387 E HA 0.496 4.846 4.350 0.000 0.000 0.278 387 E C -1.429 175.036 176.600 -0.224 0.000 0.910 387 E CA -0.794 55.610 56.400 0.006 0.000 0.757 387 E CB 1.967 31.697 29.700 0.049 0.000 1.218 387 E HN 0.199 nan 8.360 nan 0.000 0.435 388 N N 1.597 120.133 118.700 -0.275 0.000 2.666 388 N HA 0.472 5.212 4.740 0.000 0.000 0.260 388 N C -1.340 174.080 175.510 -0.150 0.000 1.077 388 N CA -0.153 52.719 53.050 -0.296 0.000 1.026 388 N CB 1.992 40.506 38.487 0.046 0.000 1.653 388 N HN 0.681 nan 8.380 nan 0.000 0.533 389 G N 1.783 110.627 108.800 0.074 0.000 2.340 389 G HA2 0.449 4.409 3.960 0.000 0.000 0.299 389 G HA3 0.449 4.409 3.960 0.000 0.000 0.299 389 G C -2.052 172.944 174.900 0.160 0.000 1.291 389 G CA -0.573 44.587 45.100 0.099 0.000 0.841 389 G HN 0.548 nan 8.290 nan 0.000 0.500 390 I N -0.304 120.308 120.570 0.070 0.000 2.752 390 I HA 0.659 4.829 4.170 0.000 0.000 0.295 390 I C -0.176 175.482 176.117 -0.766 0.000 1.219 390 I CA -1.167 59.937 61.300 -0.327 0.000 1.030 390 I CB 2.025 39.675 38.000 -0.585 0.000 1.259 390 I HN 1.010 nan 8.210 nan 0.000 0.423 391 A N 4.497 126.585 122.820 -1.220 0.000 2.395 391 A HA 0.479 4.799 4.320 0.000 0.000 0.286 391 A C -0.654 176.616 177.584 -0.523 0.000 1.193 391 A CA 0.252 51.564 52.037 -1.207 0.000 0.852 391 A CB -0.149 18.200 19.000 -1.085 0.000 1.118 391 A HN 0.609 nan 8.150 nan 0.000 0.524 392 D N 2.198 122.376 120.400 -0.371 0.000 2.491 392 D HA 0.071 4.711 4.640 0.000 0.000 0.232 392 D C 0.126 176.314 176.300 -0.187 0.000 1.334 392 D CA -0.348 53.526 54.000 -0.210 0.000 0.909 392 D CB 0.625 41.356 40.800 -0.115 0.000 1.513 392 D HN 0.387 nan 8.370 nan 0.000 0.514 393 D N 1.879 122.163 120.400 -0.193 0.000 2.144 393 D HA -0.062 4.578 4.640 0.000 0.000 0.199 393 D C 1.754 177.923 176.300 -0.219 0.000 0.984 393 D CA 1.449 55.349 54.000 -0.167 0.000 0.834 393 D CB 0.310 41.025 40.800 -0.141 0.000 0.955 393 D HN 0.408 nan 8.370 nan 0.000 0.465 394 A N -0.233 122.378 122.820 -0.349 0.000 2.119 394 A HA -0.009 4.311 4.320 0.000 0.000 0.216 394 A C 1.021 178.304 177.584 -0.502 0.000 1.152 394 A CA 1.331 53.010 52.037 -0.597 0.000 0.708 394 A CB -0.159 18.060 19.000 -1.301 0.000 0.805 394 A HN 0.275 nan 8.150 nan 0.000 0.460 395 D N -4.351 115.881 120.400 -0.279 0.000 3.041 395 D HA -0.203 4.437 4.640 0.000 0.000 0.220 395 D C 0.269 176.612 176.300 0.072 0.000 1.157 395 D CA 1.038 54.993 54.000 -0.075 0.000 0.876 395 D CB -1.672 39.110 40.800 -0.030 0.000 1.107 395 D HN 0.481 nan 8.370 nan 0.000 0.422 396 Y N 0.066 120.413 120.300 0.079 0.000 2.163 396 Y HA -0.042 4.508 4.550 0.000 0.000 0.288 396 Y C 2.593 178.620 175.900 0.213 0.000 1.136 396 Y CA 1.680 59.850 58.100 0.116 0.000 1.147 396 Y CB -0.501 38.000 38.460 0.067 0.000 0.987 396 Y HN 0.326 nan 8.280 nan 0.000 0.509 397 Q N -0.961 119.063 119.800 0.373 0.000 2.373 397 Q HA 0.015 4.355 4.340 0.000 0.000 0.210 397 Q C 2.283 178.580 176.000 0.496 0.000 0.913 397 Q CA 0.028 56.081 55.803 0.417 0.000 0.911 397 Q CB 0.063 29.002 28.738 0.335 0.000 1.040 397 Q HN 0.342 nan 8.270 nan 0.000 0.521 398 R N 1.195 121.897 120.500 0.338 0.000 2.103 398 R HA -0.148 4.192 4.340 0.000 0.000 0.242 398 R C -0.870 175.621 176.300 0.318 0.000 1.142 398 R CA 1.597 57.894 56.100 0.330 0.000 0.960 398 R CB -0.765 29.646 30.300 0.186 0.000 0.858 398 R HN 0.132 nan 8.270 nan 0.000 0.439 399 P HA -0.165 nan 4.420 nan 0.000 0.216 399 P C 0.490 177.809 177.300 0.032 0.000 1.153 399 P CA 1.496 64.614 63.100 0.031 0.000 0.858 399 P CB -0.134 31.499 31.700 -0.112 0.000 0.789 400 Y N -2.861 117.574 120.300 0.225 0.000 2.200 400 Y HA -0.178 4.372 4.550 0.000 0.000 0.290 400 Y C 2.607 178.810 175.900 0.505 0.000 1.137 400 Y CA 1.180 59.443 58.100 0.271 0.000 1.163 400 Y CB -1.409 37.159 38.460 0.180 0.000 0.988 400 Y HN -0.072 nan 8.280 nan 0.000 0.518 401 Y N 0.231 120.961 120.300 0.717 0.000 2.145 401 Y HA -0.275 4.275 4.550 0.000 0.000 0.286 401 Y C 2.378 178.597 175.900 0.533 0.000 1.145 401 Y CA 1.378 59.893 58.100 0.692 0.000 1.148 401 Y CB -0.579 38.231 38.460 0.583 0.000 0.981 401 Y HN 0.149 nan 8.280 nan 0.000 0.507 402 L N -0.594 120.965 121.223 0.559 0.000 1.976 402 L HA -0.161 4.179 4.340 0.000 0.000 0.209 402 L C 2.260 179.238 176.870 0.180 0.000 1.071 402 L CA 1.887 56.924 54.840 0.329 0.000 0.746 402 L CB -1.152 40.951 42.059 0.073 0.000 0.890 402 L HN 0.128 nan 8.230 nan 0.000 0.432 403 V N -0.619 119.378 119.914 0.139 0.000 2.343 403 V HA -0.261 3.859 4.120 0.000 0.000 0.247 403 V C 2.574 178.729 176.094 0.102 0.000 1.051 403 V CA 1.885 64.231 62.300 0.077 0.000 1.036 403 V CB -0.797 31.029 31.823 0.006 0.000 0.654 403 V HN 0.537 nan 8.190 nan 0.000 0.451 404 S N -0.943 114.838 115.700 0.134 0.000 2.368 404 S HA -0.224 4.246 4.470 0.000 0.000 0.225 404 S C 1.863 176.443 174.600 -0.035 0.000 1.030 404 S CA 1.756 59.988 58.200 0.053 0.000 0.999 404 S CB -0.397 62.844 63.200 0.069 0.000 0.844 404 S HN 0.729 nan 8.310 nan 0.000 0.459 405 H N 0.335 119.385 119.070 -0.033 0.000 2.395 405 H HA 0.087 4.643 4.556 0.000 0.000 0.299 405 H C 2.097 177.446 175.328 0.035 0.000 1.070 405 H CA 1.179 57.219 56.048 -0.013 0.000 1.356 405 H CB -0.316 29.459 29.762 0.022 0.000 1.401 405 H HN 0.118 nan 8.280 nan 0.000 0.524 406 V N 0.496 120.449 119.914 0.065 0.000 2.343 406 V HA -0.312 3.808 4.120 0.000 0.000 0.247 406 V C 2.051 178.282 176.094 0.229 0.000 1.051 406 V CA 2.015 64.328 62.300 0.021 0.000 1.036 406 V CB -0.668 31.134 31.823 -0.035 0.000 0.654 406 V HN 0.499 nan 8.190 nan 0.000 0.451 407 Y N 1.179 121.478 120.300 -0.003 0.000 2.165 407 Y HA -0.273 4.277 4.550 0.000 0.000 0.286 407 Y C 2.597 178.428 175.900 -0.114 0.000 1.155 407 Y CA 1.872 59.860 58.100 -0.186 0.000 1.164 407 Y CB -0.243 37.995 38.460 -0.370 0.000 0.978 407 Y HN 0.243 nan 8.280 nan 0.000 0.513 408 Q N -0.358 119.334 119.800 -0.180 0.000 2.224 408 Q HA -0.105 4.235 4.340 0.000 0.000 0.203 408 Q C 2.459 178.418 176.000 -0.068 0.000 0.970 408 Q CA 1.448 57.120 55.803 -0.218 0.000 0.865 408 Q CB -0.450 28.230 28.738 -0.096 0.000 0.922 408 Q HN 0.515 nan 8.270 nan 0.000 0.445 409 V N 0.432 120.382 119.914 0.059 0.000 2.488 409 V HA -0.195 3.925 4.120 0.000 0.000 0.246 409 V C 2.375 178.492 176.094 0.038 0.000 1.046 409 V CA 1.463 63.855 62.300 0.153 0.000 1.053 409 V CB -0.713 31.325 31.823 0.357 0.000 0.679 409 V HN 0.450 nan 8.190 nan 0.000 0.458 410 H N 1.003 119.969 119.070 -0.174 0.000 2.352 410 H HA -0.197 4.359 4.556 0.000 0.000 0.299 410 H C 2.519 177.598 175.328 -0.416 0.000 1.097 410 H CA 2.319 58.027 56.048 -0.567 0.000 1.311 410 H CB 0.145 29.446 29.762 -0.768 0.000 1.377 410 H HN 0.317 nan 8.280 nan 0.000 0.504 411 R N 0.253 120.550 120.500 -0.339 0.000 2.073 411 R HA -0.079 4.261 4.340 0.000 0.000 0.234 411 R C 2.624 178.919 176.300 -0.008 0.000 1.134 411 R CA 1.418 57.358 56.100 -0.267 0.000 0.952 411 R CB -0.346 29.659 30.300 -0.491 0.000 0.850 411 R HN 0.312 nan 8.270 nan 0.000 0.433 412 A N 0.984 123.842 122.820 0.063 0.000 1.883 412 A HA -0.183 4.137 4.320 0.000 0.000 0.217 412 A C 2.178 179.663 177.584 -0.166 0.000 1.186 412 A CA 1.697 53.700 52.037 -0.056 0.000 0.624 412 A CB -0.626 18.298 19.000 -0.127 0.000 0.822 412 A HN 0.392 nan 8.150 nan 0.000 0.444 413 I N -0.271 120.169 120.570 -0.217 0.000 2.142 413 I HA -0.297 3.873 4.170 0.000 0.000 0.240 413 I C 2.471 178.423 176.117 -0.275 0.000 1.078 413 I CA 1.426 62.559 61.300 -0.278 0.000 1.343 413 I CB -0.509 37.302 38.000 -0.314 0.000 1.046 413 I HN 0.428 nan 8.210 nan 0.000 0.405 414 N N 0.574 119.083 118.700 -0.319 0.000 2.132 414 N HA -0.195 4.545 4.740 0.000 0.000 0.191 414 N C 1.704 177.147 175.510 -0.112 0.000 1.015 414 N CA 1.760 54.670 53.050 -0.233 0.000 0.864 414 N CB -0.011 38.333 38.487 -0.237 0.000 1.006 414 N HN 0.237 nan 8.380 nan 0.000 0.430 415 S N -0.896 114.768 115.700 -0.061 0.000 2.607 415 S HA 0.158 4.628 4.470 0.000 0.000 0.224 415 S C 1.287 175.867 174.600 -0.034 0.000 0.969 415 S CA 0.659 58.861 58.200 0.004 0.000 0.927 415 S CB 0.279 63.539 63.200 0.099 0.000 0.772 415 S HN 0.677 nan 8.310 nan 0.000 0.533 416 G N 0.737 109.462 108.800 -0.125 0.000 2.218 416 G HA2 -0.158 3.802 3.960 0.000 0.000 0.216 416 G HA3 -0.158 3.802 3.960 0.000 0.000 0.216 416 G C 0.186 174.769 174.900 -0.528 0.000 0.994 416 G CA -0.255 44.756 45.100 -0.149 0.000 0.637 416 G HN 0.797 nan 8.290 nan 0.000 0.505 417 A N 0.525 122.913 122.820 -0.719 0.000 2.488 417 A HA 0.486 4.806 4.320 0.000 0.000 0.249 417 A C 0.216 177.175 177.584 -1.041 0.000 1.083 417 A CA 0.645 51.907 52.037 -1.292 0.000 0.768 417 A CB 0.358 19.002 19.000 -0.592 0.000 1.017 417 A HN 0.321 nan 8.150 nan 0.000 0.496 418 D N 2.690 122.225 120.400 -1.442 0.000 2.453 418 D HA 0.366 5.006 4.640 0.000 0.000 0.223 418 D C -0.794 175.344 176.300 -0.271 0.000 1.183 418 D CA 0.225 53.837 54.000 -0.647 0.000 0.933 418 D CB 0.201 40.721 40.800 -0.467 0.000 1.038 418 D HN 0.117 nan 8.370 nan 0.000 0.513 419 V N 5.603 125.419 119.914 -0.163 0.000 2.448 419 V HA 0.395 4.515 4.120 0.000 0.000 0.295 419 V C 1.212 177.310 176.094 0.007 0.000 1.025 419 V CA -0.723 61.560 62.300 -0.028 0.000 0.859 419 V CB 1.818 33.704 31.823 0.104 0.000 0.988 419 V HN 0.398 nan 8.190 nan 0.000 0.431 420 R N 2.722 123.014 120.500 -0.347 0.000 2.397 420 R HA 0.491 4.831 4.340 0.000 0.000 0.241 420 R C 0.631 176.379 176.300 -0.921 0.000 0.914 420 R CA 0.338 56.096 56.100 -0.570 0.000 1.071 420 R CB 1.395 31.207 30.300 -0.814 0.000 1.116 420 R HN 0.811 nan 8.270 nan 0.000 0.524 421 G N 0.368 108.624 108.800 -0.906 0.000 2.523 421 G HA2 0.295 4.256 3.960 0.000 0.000 0.291 421 G HA3 0.295 4.256 3.960 0.000 0.000 0.291 421 G C -2.400 172.295 174.900 -0.342 0.000 1.450 421 G CA -0.604 43.851 45.100 -1.075 0.000 0.790 421 G HN 0.079 nan 8.290 nan 0.000 0.496 422 Y N 0.460 120.541 120.300 -0.365 0.000 2.346 422 Y HA 0.734 5.284 4.550 0.000 0.000 0.332 422 Y C -1.666 174.384 175.900 0.251 0.000 0.985 422 Y CA -1.159 57.015 58.100 0.124 0.000 1.112 422 Y CB 1.676 40.335 38.460 0.332 0.000 1.170 422 Y HN 0.420 nan 8.280 nan 0.000 0.447 423 L N 6.818 127.931 121.223 -0.184 0.000 2.342 423 L HA 0.339 4.679 4.340 0.000 0.000 0.276 423 L C -0.554 176.256 176.870 -0.100 0.000 0.997 423 L CA -0.676 54.171 54.840 0.011 0.000 0.838 423 L CB 1.013 43.089 42.059 0.028 0.000 1.224 423 L HN 0.706 nan 8.230 nan 0.000 0.416 424 H N 2.854 121.940 119.070 0.026 0.000 2.732 424 H HA 0.115 4.671 4.556 0.000 0.000 0.351 424 H C -1.067 174.415 175.328 0.257 0.000 1.090 424 H CA 0.190 56.272 56.048 0.056 0.000 1.431 424 H CB 0.770 30.575 29.762 0.071 0.000 1.447 424 H HN 0.593 nan 8.280 nan 0.000 0.582 425 W N 6.458 127.622 121.300 -0.227 0.000 2.283 425 W HA 0.426 5.086 4.660 0.000 0.000 0.317 425 W C -1.056 175.492 176.519 0.049 0.000 1.042 425 W CA -0.305 57.047 57.345 0.012 0.000 1.348 425 W CB 1.040 30.552 29.460 0.086 0.000 1.216 425 W HN 0.523 nan 8.180 nan 0.000 0.404 426 S N 3.775 119.426 115.700 -0.081 0.000 2.720 426 S HA 0.306 4.776 4.470 0.000 0.000 0.287 426 S C 0.353 174.913 174.600 -0.067 0.000 1.168 426 S CA -0.661 57.353 58.200 -0.310 0.000 0.832 426 S CB 1.275 63.850 63.200 -1.041 0.000 1.166 426 S HN 0.476 nan 8.310 nan 0.000 0.493 427 L N 2.239 123.348 121.223 -0.191 0.000 2.012 427 L HA 0.329 4.669 4.340 0.000 0.000 0.210 427 L C 0.684 177.330 176.870 -0.372 0.000 1.073 427 L CA 2.520 57.085 54.840 -0.458 0.000 0.748 427 L CB -0.764 40.598 42.059 -1.162 0.000 0.891 427 L HN 0.750 nan 8.230 nan 0.000 0.431 428 A N -1.874 120.764 122.820 -0.304 0.000 2.479 428 A HA 0.528 4.848 4.320 0.000 0.000 0.296 428 A C -0.995 176.531 177.584 -0.097 0.000 1.121 428 A CA -0.842 51.041 52.037 -0.256 0.000 0.743 428 A CB 0.454 19.206 19.000 -0.414 0.000 1.323 428 A HN 0.154 nan 8.150 nan 0.000 0.415 429 D N 0.696 121.073 120.400 -0.039 0.000 2.419 429 D HA 0.358 4.998 4.640 0.000 0.000 0.236 429 D C 0.061 176.499 176.300 0.230 0.000 1.165 429 D CA 1.103 55.172 54.000 0.115 0.000 0.882 429 D CB 0.434 41.294 40.800 0.100 0.000 1.201 429 D HN 0.709 nan 8.370 nan 0.000 0.443 430 N N -1.245 117.674 118.700 0.365 0.000 3.364 430 N HA 0.144 4.884 4.740 0.000 0.000 0.294 430 N C -1.664 174.084 175.510 0.397 0.000 1.562 430 N CA -0.910 52.388 53.050 0.412 0.000 0.862 430 N CB 0.353 38.957 38.487 0.195 0.000 1.691 430 N HN 0.291 nan 8.380 nan 0.000 0.572 431 Y N 0.523 120.841 120.300 0.030 0.000 2.539 431 Y HA 0.274 4.824 4.550 0.000 0.000 0.352 431 Y C 0.157 175.790 175.900 -0.444 0.000 1.004 431 Y CA -0.288 57.553 58.100 -0.433 0.000 1.278 431 Y CB 0.589 38.645 38.460 -0.673 0.000 1.136 431 Y HN 0.694 nan 8.280 nan 0.000 0.528 432 E N 6.893 126.780 120.200 -0.522 0.000 2.148 432 E HA 0.147 4.498 4.350 0.000 0.000 0.308 432 E C -0.501 175.916 176.600 -0.306 0.000 1.278 432 E CA 0.089 56.312 56.400 -0.295 0.000 1.368 432 E CB -0.588 29.130 29.700 0.030 0.000 1.229 432 E HN 0.745 nan 8.360 nan 0.000 0.494 433 W N 1.114 122.207 121.300 -0.345 0.000 2.047 433 W HA -0.470 4.190 4.660 0.000 0.000 0.283 433 W C 1.796 178.269 176.519 -0.077 0.000 1.201 433 W CA 0.947 58.148 57.345 -0.240 0.000 1.140 433 W CB -1.646 27.759 29.460 -0.092 0.000 0.885 433 W HN 0.354 nan 8.180 nan 0.000 0.538 434 A N -0.375 122.804 122.820 0.598 0.000 2.121 434 A HA -0.023 4.297 4.320 0.000 0.000 0.218 434 A C 1.712 179.414 177.584 0.197 0.000 1.154 434 A CA 2.054 54.376 52.037 0.475 0.000 0.679 434 A CB -0.853 18.511 19.000 0.606 0.000 0.795 434 A HN 0.431 nan 8.150 nan 0.000 0.458 435 S N -1.081 114.699 115.700 0.133 0.000 2.496 435 S HA 0.382 4.852 4.470 0.000 0.000 0.224 435 S C 1.306 175.771 174.600 -0.225 0.000 0.996 435 S CA 0.675 58.865 58.200 -0.016 0.000 0.927 435 S CB -0.371 62.810 63.200 -0.032 0.000 0.774 435 S HN 1.540 nan 8.310 nan 0.000 0.524 436 G N 1.325 109.818 108.800 -0.512 0.000 2.593 436 G HA2 -0.248 3.712 3.960 0.000 0.000 0.237 436 G HA3 -0.248 3.712 3.960 0.000 0.000 0.237 436 G C 0.123 174.634 174.900 -0.649 0.000 1.312 436 G CA -0.088 44.562 45.100 -0.750 0.000 0.896 436 G HN 0.258 nan 8.290 nan 0.000 0.574 437 F N 1.941 121.765 119.950 -0.211 0.000 2.661 437 F HA 0.129 4.656 4.527 0.000 0.000 0.298 437 F C 2.930 178.678 175.800 -0.087 0.000 1.137 437 F CA 1.512 59.404 58.000 -0.180 0.000 1.454 437 F CB -0.077 38.686 39.000 -0.394 0.000 1.103 437 F HN 0.547 nan 8.300 nan 0.000 0.577 438 S N -0.747 114.959 115.700 0.009 0.000 2.447 438 S HA -0.065 4.405 4.470 0.000 0.000 0.233 438 S C 1.055 175.592 174.600 -0.104 0.000 1.006 438 S CA 0.530 58.713 58.200 -0.029 0.000 0.957 438 S CB -0.337 62.819 63.200 -0.074 0.000 0.773 438 S HN 0.052 nan 8.310 nan 0.000 0.507 439 M N 2.702 122.203 119.600 -0.165 0.000 2.094 439 M HA 0.381 4.861 4.480 0.000 0.000 0.348 439 M C -0.405 175.884 176.300 -0.019 0.000 1.267 439 M CA 0.319 55.465 55.300 -0.255 0.000 1.125 439 M CB 0.506 32.820 32.600 -0.477 0.000 1.527 439 M HN 0.197 nan 8.290 nan 0.000 0.447 440 R N 2.473 122.907 120.500 -0.109 0.000 2.239 440 R HA 0.344 4.684 4.340 0.000 0.000 0.332 440 R C -0.214 176.049 176.300 -0.062 0.000 0.988 440 R CA -0.164 55.949 56.100 0.020 0.000 0.859 440 R CB 0.826 31.127 30.300 0.001 0.000 1.148 440 R HN 0.501 nan 8.270 nan 0.000 0.482 441 F N 0.418 120.422 119.950 0.089 0.000 2.695 441 F HA 0.242 4.770 4.527 0.000 0.000 0.303 441 F C 1.585 177.430 175.800 0.075 0.000 1.091 441 F CA -0.342 57.740 58.000 0.138 0.000 1.300 441 F CB 0.804 40.018 39.000 0.357 0.000 1.071 441 F HN 0.548 nan 8.300 nan 0.000 0.578 442 G N 0.190 109.078 108.800 0.146 0.000 2.432 442 G HA2 0.315 4.275 3.960 0.000 0.000 0.257 442 G HA3 0.315 4.275 3.960 0.000 0.000 0.257 442 G C 0.923 175.834 174.900 0.018 0.000 1.238 442 G CA -0.435 44.686 45.100 0.035 0.000 0.838 442 G HN 0.243 nan 8.290 nan 0.000 0.547 443 L N 0.789 122.003 121.223 -0.015 0.000 2.131 443 L HA 0.036 4.376 4.340 0.000 0.000 0.210 443 L C 0.926 177.674 176.870 -0.203 0.000 1.092 443 L CA 0.904 55.677 54.840 -0.111 0.000 0.759 443 L CB -0.415 41.544 42.059 -0.165 0.000 0.903 443 L HN 0.308 nan 8.230 nan 0.000 0.435 444 L N -0.070 120.998 121.223 -0.258 0.000 2.317 444 L HA 0.339 4.679 4.340 0.000 0.000 0.281 444 L C -0.028 176.746 176.870 -0.160 0.000 1.024 444 L CA -0.529 54.151 54.840 -0.267 0.000 0.810 444 L CB 1.574 43.380 42.059 -0.422 0.000 1.240 444 L HN -0.076 nan 8.230 nan 0.000 0.427 445 K N 2.064 122.424 120.400 -0.067 0.000 2.205 445 K HA 0.504 4.824 4.320 0.000 0.000 0.279 445 K C -1.088 175.475 176.600 -0.061 0.000 1.027 445 K CA -0.509 55.748 56.287 -0.049 0.000 0.932 445 K CB 1.449 33.938 32.500 -0.019 0.000 1.032 445 K HN 0.380 nan 8.250 nan 0.000 0.466 446 V N 3.975 123.770 119.914 -0.199 0.000 2.398 446 V HA 0.086 4.206 4.120 0.000 0.000 0.286 446 V C -0.356 175.516 176.094 -0.370 0.000 1.026 446 V CA -0.788 61.289 62.300 -0.371 0.000 0.868 446 V CB 1.406 32.793 31.823 -0.727 0.000 0.982 446 V HN 0.839 nan 8.190 nan 0.000 0.443 447 D N 3.372 123.675 120.400 -0.162 0.000 2.339 447 D HA 0.148 4.788 4.640 0.000 0.000 0.241 447 D C 0.322 176.508 176.300 -0.190 0.000 1.183 447 D CA -0.061 53.881 54.000 -0.098 0.000 0.859 447 D CB 0.935 41.791 40.800 0.094 0.000 1.067 447 D HN 0.506 nan 8.370 nan 0.000 0.484 448 Y N 2.692 122.940 120.300 -0.087 0.000 2.509 448 Y HA -0.033 4.517 4.550 0.000 0.000 0.293 448 Y C 1.929 177.761 175.900 -0.113 0.000 1.133 448 Y CA 0.616 58.617 58.100 -0.165 0.000 1.283 448 Y CB -0.166 38.085 38.460 -0.347 0.000 1.001 448 Y HN 0.499 nan 8.280 nan 0.000 0.555 449 N N -0.991 117.738 118.700 0.048 0.000 2.171 449 N HA -0.129 4.611 4.740 0.000 0.000 0.184 449 N C 1.667 177.187 175.510 0.018 0.000 1.021 449 N CA 1.759 54.825 53.050 0.028 0.000 0.854 449 N CB -0.123 38.378 38.487 0.023 0.000 0.994 449 N HN 0.306 nan 8.380 nan 0.000 0.426 450 T N -2.515 112.045 114.554 0.010 0.000 3.001 450 T HA 0.233 4.583 4.350 0.000 0.000 0.251 450 T C 0.509 175.201 174.700 -0.014 0.000 1.040 450 T CA -0.172 61.929 62.100 0.002 0.000 0.985 450 T CB 0.415 69.289 68.868 0.009 0.000 1.011 450 T HN -0.077 nan 8.240 nan 0.000 0.509 451 K N 0.201 120.582 120.400 -0.032 0.000 3.472 451 K HA -0.151 4.169 4.320 0.000 0.000 0.315 451 K C 0.087 176.633 176.600 -0.089 0.000 1.320 451 K CA 0.594 56.853 56.287 -0.047 0.000 0.962 451 K CB -1.957 30.553 32.500 0.017 0.000 1.251 451 K HN 0.559 nan 8.250 nan 0.000 0.443 452 R N 0.679 121.114 120.500 -0.108 0.000 2.623 452 R HA 0.276 4.616 4.340 0.000 0.000 0.271 452 R C 0.557 176.681 176.300 -0.293 0.000 1.043 452 R CA 0.022 55.987 56.100 -0.224 0.000 1.083 452 R CB 0.311 30.442 30.300 -0.282 0.000 0.974 452 R HN 0.074 nan 8.270 nan 0.000 0.436 453 L N 3.777 124.765 121.223 -0.391 0.000 2.317 453 L HA 0.436 4.776 4.340 0.000 0.000 0.281 453 L C -0.884 175.758 176.870 -0.381 0.000 1.024 453 L CA -0.729 53.911 54.840 -0.333 0.000 0.810 453 L CB 0.863 42.709 42.059 -0.354 0.000 1.240 453 L HN 0.488 nan 8.230 nan 0.000 0.427 454 Y N -0.090 120.175 120.300 -0.058 0.000 2.499 454 Y HA 0.356 4.906 4.550 0.000 0.000 0.347 454 Y C -0.729 175.233 175.900 0.103 0.000 0.987 454 Y CA -0.560 57.574 58.100 0.057 0.000 1.044 454 Y CB 1.767 40.228 38.460 0.003 0.000 1.245 454 Y HN 0.409 nan 8.280 nan 0.000 0.461 455 W N 3.947 125.284 121.300 0.061 0.000 2.387 455 W HA 0.495 5.155 4.660 0.000 0.000 0.310 455 W C 0.195 176.728 176.519 0.024 0.000 1.181 455 W CA -0.955 56.396 57.345 0.010 0.000 1.333 455 W CB 0.402 29.858 29.460 -0.006 0.000 1.286 455 W HN 0.303 nan 8.180 nan 0.000 0.455 456 R N 4.311 124.886 120.500 0.125 0.000 2.641 456 R HA 0.072 4.412 4.340 0.000 0.000 0.269 456 R C -1.272 175.101 176.300 0.121 0.000 1.074 456 R CA -1.180 54.970 56.100 0.083 0.000 1.133 456 R CB 0.068 30.376 30.300 0.014 0.000 1.029 456 R HN 0.177 nan 8.270 nan 0.000 0.488 457 P HA -0.160 nan 4.420 nan 0.000 0.217 457 P C 0.696 178.053 177.300 0.096 0.000 1.148 457 P CA 1.382 64.547 63.100 0.110 0.000 0.828 457 P CB 0.235 31.986 31.700 0.085 0.000 0.783 458 S N -0.535 115.202 115.700 0.062 0.000 2.419 458 S HA -0.174 4.296 4.470 0.000 0.000 0.235 458 S C 2.000 176.618 174.600 0.031 0.000 1.019 458 S CA 1.325 59.545 58.200 0.034 0.000 0.982 458 S CB -0.950 62.257 63.200 0.012 0.000 0.789 458 S HN 0.194 nan 8.310 nan 0.000 0.490 459 A N 1.485 124.320 122.820 0.025 0.000 1.898 459 A HA 0.053 4.373 4.320 0.000 0.000 0.216 459 A C 2.076 179.763 177.584 0.173 0.000 1.181 459 A CA 0.967 52.979 52.037 -0.041 0.000 0.620 459 A CB -0.611 18.189 19.000 -0.333 0.000 0.819 459 A HN 0.460 nan 8.150 nan 0.000 0.442 460 L N -0.560 120.850 121.223 0.312 0.000 2.046 460 L HA -0.156 4.185 4.340 0.000 0.000 0.208 460 L C 2.491 179.466 176.870 0.175 0.000 1.077 460 L CA 0.983 56.005 54.840 0.303 0.000 0.747 460 L CB -0.677 41.514 42.059 0.220 0.000 0.896 460 L HN 0.222 nan 8.230 nan 0.000 0.432 461 V N -1.015 118.974 119.914 0.126 0.000 2.295 461 V HA -0.330 3.790 4.120 0.000 0.000 0.246 461 V C 2.305 178.467 176.094 0.113 0.000 1.049 461 V CA 1.816 64.166 62.300 0.084 0.000 1.024 461 V CB -0.682 31.165 31.823 0.041 0.000 0.648 461 V HN 0.363 nan 8.190 nan 0.000 0.447 462 Y N 0.955 121.225 120.300 -0.049 0.000 2.224 462 Y HA -0.159 4.391 4.550 0.000 0.000 0.289 462 Y C 2.751 178.607 175.900 -0.073 0.000 1.146 462 Y CA 1.651 59.693 58.100 -0.096 0.000 1.182 462 Y CB -0.470 37.921 38.460 -0.114 0.000 0.983 462 Y HN 0.096 nan 8.280 nan 0.000 0.524 463 R N 0.330 120.867 120.500 0.061 0.000 2.096 463 R HA -0.145 4.195 4.340 0.000 0.000 0.235 463 R C 1.878 178.168 176.300 -0.016 0.000 1.127 463 R CA 1.524 57.636 56.100 0.020 0.000 0.968 463 R CB -0.027 30.396 30.300 0.206 0.000 0.861 463 R HN 0.291 nan 8.270 nan 0.000 0.440 464 E N 0.771 120.981 120.200 0.017 0.000 2.058 464 E HA -0.202 4.149 4.350 0.000 0.000 0.194 464 E C 2.095 178.658 176.600 -0.061 0.000 0.997 464 E CA 1.281 57.679 56.400 -0.003 0.000 0.801 464 E CB -0.306 29.407 29.700 0.022 0.000 0.746 464 E HN 0.449 nan 8.360 nan 0.000 0.450 465 I N 0.855 121.350 120.570 -0.124 0.000 2.179 465 I HA -0.259 3.912 4.170 0.000 0.000 0.242 465 I C 2.487 178.350 176.117 -0.422 0.000 1.088 465 I CA 1.221 62.353 61.300 -0.280 0.000 1.357 465 I CB -0.336 37.429 38.000 -0.393 0.000 1.051 465 I HN 0.010 nan 8.210 nan 0.000 0.409 466 A N 0.845 123.387 122.820 -0.463 0.000 1.872 466 A HA -0.195 4.125 4.320 0.000 0.000 0.214 466 A C 2.452 179.990 177.584 -0.075 0.000 1.187 466 A CA 2.252 54.087 52.037 -0.337 0.000 0.614 466 A CB -1.255 17.525 19.000 -0.365 0.000 0.826 466 A HN 0.512 nan 8.150 nan 0.000 0.442 467 T N -1.766 112.752 114.554 -0.061 0.000 2.833 467 T HA -0.135 4.215 4.350 0.000 0.000 0.269 467 T C 1.486 176.202 174.700 0.027 0.000 1.054 467 T CA 1.535 63.638 62.100 0.004 0.000 1.135 467 T CB -0.489 68.385 68.868 0.010 0.000 0.869 467 T HN 0.454 nan 8.240 nan 0.000 0.466 468 N N 1.186 119.894 118.700 0.014 0.000 2.424 468 N HA 0.135 4.875 4.740 0.000 0.000 0.178 468 N C 1.481 177.052 175.510 0.103 0.000 1.060 468 N CA 0.784 53.864 53.050 0.049 0.000 0.901 468 N CB 0.064 38.573 38.487 0.037 0.000 0.979 468 N HN 0.694 nan 8.380 nan 0.000 0.451 469 G N 0.996 109.871 108.800 0.125 0.000 2.273 469 G HA2 -0.124 3.836 3.960 0.000 0.000 0.280 469 G HA3 -0.124 3.836 3.960 0.000 0.000 0.280 469 G C -0.080 175.045 174.900 0.375 0.000 1.047 469 G CA 0.573 45.848 45.100 0.291 0.000 0.869 469 G HN 0.675 nan 8.290 nan 0.000 0.502 470 A N -1.184 121.781 122.820 0.242 0.000 2.597 470 A HA 0.705 5.025 4.320 0.000 0.000 0.292 470 A C -0.375 177.319 177.584 0.184 0.000 1.057 470 A CA -0.605 51.624 52.037 0.320 0.000 0.674 470 A CB 0.839 19.956 19.000 0.194 0.000 1.278 470 A HN 0.827 nan 8.150 nan 0.000 0.416 471 I N 2.842 123.570 120.570 0.263 0.000 2.421 471 I HA 0.213 4.383 4.170 0.000 0.000 0.291 471 I C 1.222 177.411 176.117 0.121 0.000 1.089 471 I CA 0.144 61.552 61.300 0.179 0.000 1.354 471 I CB 0.988 39.154 38.000 0.277 0.000 1.413 471 I HN 0.779 nan 8.210 nan 0.000 0.513 472 T N 0.881 115.476 114.554 0.068 0.000 2.828 472 T HA 0.094 4.444 4.350 0.000 0.000 0.290 472 T C 0.940 175.658 174.700 0.030 0.000 1.019 472 T CA -0.765 61.358 62.100 0.039 0.000 1.031 472 T CB 1.121 70.007 68.868 0.031 0.000 1.001 472 T HN 0.446 nan 8.240 nan 0.000 0.531 473 D N 0.754 121.155 120.400 0.003 0.000 2.149 473 D HA -0.132 4.508 4.640 0.000 0.000 0.198 473 D C 2.158 178.480 176.300 0.036 0.000 0.990 473 D CA 1.308 55.306 54.000 -0.003 0.000 0.839 473 D CB -0.056 40.731 40.800 -0.021 0.000 0.948 473 D HN 0.810 nan 8.370 nan 0.000 0.460 474 E N 0.851 121.076 120.200 0.042 0.000 2.268 474 E HA -0.129 4.221 4.350 0.000 0.000 0.195 474 E C 2.138 178.820 176.600 0.136 0.000 0.995 474 E CA 0.542 56.978 56.400 0.061 0.000 0.836 474 E CB -0.411 29.312 29.700 0.038 0.000 0.763 474 E HN 0.531 nan 8.360 nan 0.000 0.491 475 I N -2.604 118.043 120.570 0.129 0.000 4.025 475 I HA 0.279 4.449 4.170 0.000 0.000 0.336 475 I C 1.756 177.897 176.117 0.040 0.000 1.390 475 I CA -0.296 61.078 61.300 0.123 0.000 1.099 475 I CB 0.297 38.319 38.000 0.037 0.000 1.049 475 I HN -0.221 nan 8.210 nan 0.000 0.394 476 E N 2.187 122.457 120.200 0.117 0.000 2.265 476 E HA -0.244 4.106 4.350 0.000 0.000 0.196 476 E C 1.880 178.512 176.600 0.054 0.000 0.996 476 E CA 1.347 57.802 56.400 0.091 0.000 0.832 476 E CB -0.110 29.649 29.700 0.099 0.000 0.756 476 E HN 0.775 nan 8.360 nan 0.000 0.491 477 H N -0.388 118.690 119.070 0.014 0.000 2.521 477 H HA -0.068 4.488 4.556 0.000 0.000 0.286 477 H C 1.775 177.128 175.328 0.042 0.000 1.034 477 H CA 0.555 56.617 56.048 0.023 0.000 1.278 477 H CB -0.417 29.358 29.762 0.022 0.000 1.386 477 H HN 0.235 nan 8.280 nan 0.000 0.567 478 L N 0.968 121.810 121.223 -0.636 0.000 2.552 478 L HA -0.033 4.307 4.340 0.000 0.000 0.227 478 L C 1.374 178.210 176.870 -0.057 0.000 1.146 478 L CA 0.242 54.810 54.840 -0.453 0.000 0.858 478 L CB -0.380 41.343 42.059 -0.561 0.000 0.969 478 L HN 0.298 nan 8.230 nan 0.000 0.451 479 N N 1.117 119.783 118.700 -0.058 0.000 3.103 479 N HA 0.024 4.764 4.740 0.000 0.000 0.305 479 N C -0.606 174.900 175.510 -0.006 0.000 1.232 479 N CA 0.017 53.033 53.050 -0.057 0.000 1.190 479 N CB 0.163 38.505 38.487 -0.242 0.000 1.461 479 N HN 0.248 nan 8.380 nan 0.000 0.538 480 S N -0.812 114.978 115.700 0.149 0.000 2.636 480 S HA 0.249 4.719 4.470 0.000 0.000 0.266 480 S C -0.740 173.914 174.600 0.091 0.000 1.147 480 S CA -0.911 57.362 58.200 0.122 0.000 0.815 480 S CB 1.207 64.477 63.200 0.116 0.000 1.119 480 S HN -0.083 nan 8.310 nan 0.000 0.470 481 V N 2.513 122.352 119.914 -0.125 0.000 2.530 481 V HA 0.370 4.490 4.120 0.000 0.000 0.282 481 V C -2.251 173.398 176.094 -0.741 0.000 1.048 481 V CA -1.444 60.540 62.300 -0.527 0.000 0.997 481 V CB 0.462 32.119 31.823 -0.276 0.000 0.987 481 V HN 0.757 nan 8.190 nan 0.000 0.477 482 P HA 0.104 nan 4.420 nan 0.000 0.262 482 P C -2.551 174.376 177.300 -0.621 0.000 1.182 482 P CA -0.743 61.648 63.100 -1.181 0.000 0.761 482 P CB -0.300 30.978 31.700 -0.702 0.000 0.795 483 P HA -0.089 nan 4.420 nan 0.000 0.261 483 P C 1.069 178.262 177.300 -0.178 0.000 1.183 483 P CA 0.273 63.233 63.100 -0.234 0.000 0.761 483 P CB 0.300 31.912 31.700 -0.146 0.000 0.785 484 V N 1.947 121.797 119.914 -0.106 0.000 2.788 484 V HA -0.124 3.996 4.120 0.000 0.000 0.251 484 V C 2.198 178.281 176.094 -0.018 0.000 1.068 484 V CA 1.337 63.601 62.300 -0.060 0.000 1.090 484 V CB -1.018 30.828 31.823 0.038 0.000 0.710 484 V HN 0.312 nan 8.190 nan 0.000 0.467 485 K N 1.526 121.945 120.400 0.032 0.000 2.044 485 K HA -0.091 4.229 4.320 0.000 0.000 0.210 485 K C 0.309 176.917 176.600 0.013 0.000 1.049 485 K CA 2.311 58.646 56.287 0.081 0.000 0.927 485 K CB -1.989 30.537 32.500 0.044 0.000 0.713 485 K HN 0.760 nan 8.250 nan 0.000 0.443 486 P HA 0.170 nan 4.420 nan 0.000 0.241 486 P C 0.024 177.220 177.300 -0.173 0.000 1.191 486 P CA 0.407 63.444 63.100 -0.104 0.000 0.771 486 P CB 0.044 31.671 31.700 -0.122 0.000 0.929 487 L N -0.663 120.424 121.223 -0.226 0.000 2.416 487 L HA 0.353 4.693 4.340 0.000 0.000 0.262 487 L C 1.079 177.725 176.870 -0.373 0.000 1.093 487 L CA -1.247 53.437 54.840 -0.260 0.000 0.801 487 L CB 0.657 42.588 42.059 -0.214 0.000 1.191 487 L HN -0.182 nan 8.230 nan 0.000 0.459 488 R N 0.713 121.069 120.500 -0.241 0.000 2.623 488 R HA 0.112 4.452 4.340 0.000 0.000 0.271 488 R C -0.605 175.482 176.300 -0.356 0.000 1.043 488 R CA -0.120 55.848 56.100 -0.219 0.000 1.083 488 R CB 0.360 30.619 30.300 -0.067 0.000 0.974 488 R HN 0.524 nan 8.270 nan 0.000 0.436 489 H N 0.000 119.077 119.070 0.011 0.000 2.539 489 H HA 0.000 4.556 4.556 0.000 0.000 0.296 489 H CA 0.000 56.056 56.048 0.014 0.000 1.023 489 H CB 0.000 29.766 29.762 0.007 0.000 1.292 489 H HN 0.000 nan 8.280 nan 0.000 0.496