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 3eje_1_F DATA FIRST_RESID 9 DATA SEQUENCE SEFLKNPYSF YDTLRAVHPI YKGSFLKYPG WYVTGYEETA AILKDARFKV DATA SEQUENCE RTPLPESSTK YQDLSHVQNQ MMLFQNQPDH RRLRTLASGA FTPRTTESYQ DATA SEQUENCE PYIIETVHHL LDQVQGKKKM EVISDFAFPL ASFVIANIIG VPEEDREQLK DATA SEQUENCE EWAASLIQTI DFTRSRKALT EGNIMAVQAM AYFKELIQKR KRHPQQDMIS DATA SEQUENCE MLLKXXXXXK LTEEEAASTC ILLAIAGHET TVNLISNSVL CLLQHPEQLL DATA SEQUENCE KLRENPDLIG TAVEECLRYE SPTQMTARVA SEDIDICGVT IRQGEQVYLL DATA SEQUENCE LGAANRDPSI FTNPDVFDIT RSPNPHLSFG HGHHVCLGSS LARLEAQIAI DATA SEQUENCE NTLLQRMPSL NLADXEWRYR PLFGFRALEE LPVTFE 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 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.616 174.600 0.026 0.000 1.055 9 S CA 0.000 58.242 58.200 0.070 0.000 1.107 9 S CB 0.000 63.231 63.200 0.052 0.000 0.593 10 E N 1.124 121.330 120.200 0.011 0.000 2.208 10 E HA 0.091 4.441 4.350 -0.000 0.000 0.193 10 E C 1.450 177.996 176.600 -0.089 0.000 0.988 10 E CA 0.689 57.072 56.400 -0.027 0.000 0.828 10 E CB -0.153 29.539 29.700 -0.013 0.000 0.763 10 E HN 0.592 nan 8.360 nan 0.000 0.478 11 F N 1.087 120.879 119.950 -0.263 0.000 2.146 11 F HA -0.122 4.405 4.527 0.000 0.000 0.298 11 F C 2.054 177.561 175.800 -0.489 0.000 1.096 11 F CA 0.963 58.688 58.000 -0.458 0.000 1.275 11 F CB -0.055 38.554 39.000 -0.651 0.000 1.008 11 F HN -0.084 nan 8.300 nan 0.000 0.480 12 L N 0.328 121.339 121.223 -0.354 0.000 2.141 12 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 12 L C 2.432 179.022 176.870 -0.466 0.000 1.094 12 L CA 0.930 55.518 54.840 -0.420 0.000 0.763 12 L CB -0.608 41.422 42.059 -0.049 0.000 0.908 12 L HN 0.035 nan 8.230 nan 0.000 0.437 13 K N -0.278 119.978 120.400 -0.241 0.000 2.057 13 K HA -0.076 4.244 4.320 -0.000 0.000 0.206 13 K C 0.573 177.032 176.600 -0.234 0.000 1.050 13 K CA 0.854 57.072 56.287 -0.114 0.000 0.935 13 K CB -0.345 32.143 32.500 -0.020 0.000 0.715 13 K HN 0.147 nan 8.250 nan 0.000 0.439 14 N N -0.184 118.289 118.700 -0.378 0.000 2.732 14 N HA 0.114 4.854 4.740 -0.000 0.000 0.247 14 N C -2.459 172.637 175.510 -0.691 0.000 1.305 14 N CA -1.353 51.458 53.050 -0.399 0.000 0.762 14 N CB 1.339 39.731 38.487 -0.158 0.000 1.361 14 N HN -0.213 nan 8.380 nan 0.000 0.545 15 P HA -0.008 nan 4.420 nan 0.000 0.231 15 P C 0.667 177.106 177.300 -1.435 0.000 1.168 15 P CA 0.721 62.793 63.100 -1.713 0.000 0.779 15 P CB 0.190 30.575 31.700 -2.192 0.000 0.844 16 Y N 0.358 120.280 120.300 -0.629 0.000 2.314 16 Y HA -0.054 4.496 4.550 0.000 0.000 0.293 16 Y C 3.050 178.848 175.900 -0.171 0.000 1.129 16 Y CA 1.184 59.110 58.100 -0.289 0.000 1.201 16 Y CB -1.410 36.950 38.460 -0.167 0.000 0.999 16 Y HN 0.006 nan 8.280 nan 0.000 0.541 17 S N 0.039 115.699 115.700 -0.066 0.000 2.368 17 S HA -0.241 4.229 4.470 -0.000 0.000 0.225 17 S C 2.008 176.588 174.600 -0.032 0.000 1.030 17 S CA 1.249 59.433 58.200 -0.028 0.000 0.999 17 S CB -0.686 62.497 63.200 -0.029 0.000 0.844 17 S HN 0.462 nan 8.310 nan 0.000 0.459 18 F N 1.200 120.998 119.950 -0.253 0.000 2.134 18 F HA -0.045 4.482 4.527 -0.000 0.000 0.299 18 F C 1.747 177.474 175.800 -0.122 0.000 1.097 18 F CA 1.480 59.353 58.000 -0.211 0.000 1.264 18 F CB -0.586 38.284 39.000 -0.217 0.000 1.001 18 F HN 0.249 nan 8.300 nan 0.000 0.479 19 Y N 0.706 120.955 120.300 -0.084 0.000 2.224 19 Y HA -0.185 4.365 4.550 -0.000 0.000 0.289 19 Y C 2.393 178.194 175.900 -0.165 0.000 1.146 19 Y CA 1.110 59.117 58.100 -0.156 0.000 1.182 19 Y CB -1.455 37.003 38.460 -0.002 0.000 0.983 19 Y HN 0.100 nan 8.280 nan 0.000 0.524 20 D N -0.724 119.708 120.400 0.052 0.000 2.117 20 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 20 D C 2.287 178.559 176.300 -0.047 0.000 0.987 20 D CA 2.091 56.103 54.000 0.020 0.000 0.829 20 D CB -0.523 40.295 40.800 0.032 0.000 0.961 20 D HN 0.465 nan 8.370 nan 0.000 0.460 21 T N -1.158 113.323 114.554 -0.123 0.000 2.821 21 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 21 T C 2.060 176.643 174.700 -0.195 0.000 1.046 21 T CA 0.581 62.595 62.100 -0.143 0.000 1.139 21 T CB -0.412 68.354 68.868 -0.170 0.000 0.871 21 T HN -0.021 nan 8.240 nan 0.000 0.454 22 L N 0.946 121.960 121.223 -0.348 0.000 2.056 22 L HA 0.211 4.551 4.340 -0.000 0.000 0.207 22 L C 2.972 179.798 176.870 -0.072 0.000 1.078 22 L CA 1.435 56.041 54.840 -0.391 0.000 0.749 22 L CB -0.792 40.939 42.059 -0.547 0.000 0.901 22 L HN 0.231 nan 8.230 nan 0.000 0.433 23 R N -0.513 119.967 120.500 -0.034 0.000 2.096 23 R HA -0.139 4.200 4.340 -0.000 0.000 0.235 23 R C 2.140 178.467 176.300 0.044 0.000 1.127 23 R CA 1.246 57.364 56.100 0.031 0.000 0.968 23 R CB -0.137 30.182 30.300 0.031 0.000 0.861 23 R HN 0.363 nan 8.270 nan 0.000 0.440 24 A N 0.145 122.985 122.820 0.033 0.000 1.969 24 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 24 A C 2.164 179.802 177.584 0.091 0.000 1.169 24 A CA 1.265 53.331 52.037 0.047 0.000 0.635 24 A CB -0.277 18.741 19.000 0.031 0.000 0.810 24 A HN 0.193 nan 8.150 nan 0.000 0.445 25 V N -0.786 119.210 119.914 0.137 0.000 2.221 25 V HA -0.035 4.085 4.120 -0.000 0.000 0.242 25 V C 1.223 177.504 176.094 0.312 0.000 1.041 25 V CA 1.705 64.145 62.300 0.234 0.000 0.995 25 V CB -0.503 31.538 31.823 0.363 0.000 0.635 25 V HN 0.741 nan 8.190 nan 0.000 0.448 26 H N -0.631 118.580 119.070 0.234 0.000 3.129 26 H HA 0.195 4.751 4.556 0.000 0.000 0.342 26 H C -2.333 173.128 175.328 0.222 0.000 1.092 26 H CA -0.982 55.192 56.048 0.210 0.000 1.310 26 H CB 2.663 32.560 29.762 0.225 0.000 1.932 26 H HN -0.035 nan 8.280 nan 0.000 0.507 27 P HA -0.010 nan 4.420 nan 0.000 0.222 27 P C 0.343 177.760 177.300 0.194 0.000 1.147 27 P CA 0.955 64.079 63.100 0.039 0.000 0.790 27 P CB 0.797 32.452 31.700 -0.075 0.000 0.780 28 I N -0.421 120.390 120.570 0.400 0.000 2.405 28 I HA 0.239 4.409 4.170 -0.000 0.000 0.280 28 I C -0.650 175.898 176.117 0.719 0.000 1.027 28 I CA -1.144 60.465 61.300 0.515 0.000 1.161 28 I CB 0.919 39.130 38.000 0.351 0.000 1.300 28 I HN -0.194 nan 8.210 nan 0.000 0.463 29 Y N 6.833 127.445 120.300 0.521 0.000 2.331 29 Y HA 0.340 4.890 4.550 0.000 0.000 0.338 29 Y C 0.174 176.290 175.900 0.360 0.000 0.976 29 Y CA -0.646 57.706 58.100 0.420 0.000 1.137 29 Y CB 1.104 39.764 38.460 0.334 0.000 1.172 29 Y HN 0.432 nan 8.280 nan 0.000 0.478 30 K N 4.946 125.176 120.400 -0.284 0.000 2.312 30 K HA 0.580 4.900 4.320 -0.000 0.000 0.287 30 K C -0.261 176.027 176.600 -0.520 0.000 1.062 30 K CA 0.187 56.081 56.287 -0.655 0.000 0.934 30 K CB 0.142 32.017 32.500 -1.042 0.000 1.027 30 K HN 0.968 nan 8.250 nan 0.000 0.478 31 G N 0.783 109.501 108.800 -0.136 0.000 2.561 31 G HA2 0.354 4.314 3.960 -0.000 0.000 0.310 31 G HA3 0.354 4.314 3.960 -0.000 0.000 0.310 31 G C -1.648 173.208 174.900 -0.073 0.000 1.292 31 G CA -0.594 44.441 45.100 -0.109 0.000 0.811 31 G HN 0.429 nan 8.290 nan 0.000 0.482 32 S N -0.921 114.518 115.700 -0.437 0.000 2.614 32 S HA 0.760 5.230 4.470 -0.000 0.000 0.275 32 S C -1.952 172.255 174.600 -0.655 0.000 1.161 32 S CA -0.594 57.438 58.200 -0.279 0.000 0.969 32 S CB 0.494 63.600 63.200 -0.157 0.000 1.059 32 S HN 0.540 nan 8.310 nan 0.000 0.482 33 F N 3.712 123.723 119.950 0.103 0.000 2.547 33 F HA 0.558 5.085 4.527 0.000 0.000 0.316 33 F C 0.637 176.522 175.800 0.141 0.000 1.121 33 F CA -1.025 57.012 58.000 0.062 0.000 0.911 33 F CB 1.535 40.504 39.000 -0.051 0.000 1.179 33 F HN 0.560 nan 8.300 nan 0.000 0.443 34 L N 4.087 125.439 121.223 0.215 0.000 3.737 34 L HA -0.388 3.952 4.340 -0.000 0.000 0.418 34 L C 0.431 177.206 176.870 -0.159 0.000 1.216 34 L CA 0.314 55.189 54.840 0.058 0.000 0.915 34 L CB -0.944 41.197 42.059 0.136 0.000 1.834 34 L HN 0.815 nan 8.230 nan 0.000 0.943 35 K N -3.480 116.814 120.400 -0.177 0.000 3.512 35 K HA -0.188 4.132 4.320 -0.000 0.000 0.309 35 K C -0.557 175.761 176.600 -0.469 0.000 1.350 35 K CA 1.314 57.402 56.287 -0.332 0.000 0.960 35 K CB -1.761 30.489 32.500 -0.416 0.000 1.290 35 K HN 0.488 nan 8.250 nan 0.000 0.454 36 Y N 1.769 121.995 120.300 -0.123 0.000 2.402 36 Y HA 0.322 4.872 4.550 -0.000 0.000 0.332 36 Y C -1.899 174.090 175.900 0.148 0.000 0.960 36 Y CA -2.459 55.586 58.100 -0.092 0.000 1.228 36 Y CB 1.222 39.401 38.460 -0.469 0.000 1.120 36 Y HN -0.092 nan 8.280 nan 0.000 0.491 37 P HA 0.575 nan 4.420 nan 0.000 0.282 37 P C 0.145 177.626 177.300 0.301 0.000 1.249 37 P CA 0.093 63.323 63.100 0.217 0.000 0.806 37 P CB 2.386 34.126 31.700 0.065 0.000 0.984 38 G N 1.129 110.061 108.800 0.220 0.000 2.344 38 G HA2 0.239 4.199 3.960 -0.000 0.000 0.282 38 G HA3 0.239 4.199 3.960 -0.000 0.000 0.282 38 G C -2.247 172.611 174.900 -0.069 0.000 1.281 38 G CA -0.869 44.272 45.100 0.068 0.000 0.877 38 G HN 0.330 nan 8.290 nan 0.000 0.494 39 W N 0.588 121.938 121.300 0.083 0.000 2.314 39 W HA 0.680 5.340 4.660 -0.000 0.000 0.310 39 W C -0.961 175.607 176.519 0.083 0.000 1.075 39 W CA -0.544 56.884 57.345 0.139 0.000 1.253 39 W CB 1.016 30.525 29.460 0.083 0.000 1.238 39 W HN 0.370 nan 8.180 nan 0.000 0.440 40 Y N 2.871 123.503 120.300 0.553 0.000 2.385 40 Y HA 0.432 4.982 4.550 -0.000 0.000 0.341 40 Y C 0.178 176.282 175.900 0.339 0.000 0.965 40 Y CA -1.021 57.358 58.100 0.464 0.000 1.180 40 Y CB 0.839 39.609 38.460 0.516 0.000 1.139 40 Y HN -0.003 nan 8.280 nan 0.000 0.502 41 V N 3.185 123.276 119.914 0.294 0.000 2.350 41 V HA 0.185 4.305 4.120 -0.000 0.000 0.276 41 V C 0.605 176.748 176.094 0.081 0.000 1.028 41 V CA -0.257 62.144 62.300 0.168 0.000 0.860 41 V CB 1.057 32.910 31.823 0.050 0.000 0.990 41 V HN 0.960 nan 8.190 nan 0.000 0.453 42 T N 0.444 115.044 114.554 0.077 0.000 2.985 42 T HA 0.239 4.589 4.350 -0.000 0.000 0.254 42 T C 0.891 175.608 174.700 0.028 0.000 1.021 42 T CA 0.414 62.519 62.100 0.009 0.000 0.957 42 T CB 0.435 69.312 68.868 0.015 0.000 1.047 42 T HN 0.745 nan 8.240 nan 0.000 0.511 43 G N 0.075 108.899 108.800 0.040 0.000 2.415 43 G HA2 0.421 4.381 3.960 -0.000 0.000 0.269 43 G HA3 0.421 4.381 3.960 -0.000 0.000 0.269 43 G C 0.038 174.974 174.900 0.060 0.000 1.209 43 G CA -0.653 44.477 45.100 0.051 0.000 0.835 43 G HN 0.236 nan 8.290 nan 0.000 0.534 44 Y N 1.081 121.371 120.300 -0.017 0.000 2.133 44 Y HA -0.138 4.412 4.550 0.000 0.000 0.287 44 Y C 2.628 178.490 175.900 -0.063 0.000 1.134 44 Y CA 2.160 60.245 58.100 -0.024 0.000 1.133 44 Y CB 0.278 38.731 38.460 -0.013 0.000 0.987 44 Y HN 0.509 nan 8.280 nan 0.000 0.502 45 E N 0.409 120.708 120.200 0.164 0.000 2.110 45 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 45 E C 1.908 178.477 176.600 -0.053 0.000 0.988 45 E CA 1.587 58.020 56.400 0.056 0.000 0.804 45 E CB -0.177 29.565 29.700 0.069 0.000 0.745 45 E HN 0.605 nan 8.360 nan 0.000 0.458 46 E N 0.022 120.194 120.200 -0.047 0.000 2.072 46 E HA -0.095 4.255 4.350 -0.000 0.000 0.191 46 E C 2.167 178.684 176.600 -0.138 0.000 0.985 46 E CA 1.476 57.832 56.400 -0.074 0.000 0.801 46 E CB -0.495 29.181 29.700 -0.041 0.000 0.750 46 E HN 0.134 nan 8.360 nan 0.000 0.452 47 T N 0.616 115.075 114.554 -0.158 0.000 2.652 47 T HA -0.206 4.144 4.350 -0.000 0.000 0.267 47 T C 1.961 176.521 174.700 -0.233 0.000 1.039 47 T CA 1.592 63.570 62.100 -0.202 0.000 1.153 47 T CB -0.502 68.240 68.868 -0.210 0.000 0.863 47 T HN 0.297 nan 8.240 nan 0.000 0.428 48 A N 1.433 124.058 122.820 -0.325 0.000 1.908 48 A HA 0.102 4.422 4.320 -0.000 0.000 0.218 48 A C 2.645 180.179 177.584 -0.083 0.000 1.181 48 A CA 1.976 53.823 52.037 -0.318 0.000 0.627 48 A CB -1.139 17.541 19.000 -0.534 0.000 0.818 48 A HN 0.523 nan 8.150 nan 0.000 0.445 49 A N -0.223 122.542 122.820 -0.092 0.000 1.902 49 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 49 A C 2.123 179.682 177.584 -0.042 0.000 1.181 49 A CA 1.542 53.560 52.037 -0.032 0.000 0.623 49 A CB -0.570 18.413 19.000 -0.028 0.000 0.818 49 A HN 0.500 nan 8.150 nan 0.000 0.443 50 I N -0.486 119.977 120.570 -0.179 0.000 2.252 50 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 50 I C 2.266 178.274 176.117 -0.182 0.000 1.102 50 I CA 0.976 62.033 61.300 -0.405 0.000 1.385 50 I CB -0.244 37.304 38.000 -0.754 0.000 1.064 50 I HN 0.266 nan 8.210 nan 0.000 0.414 51 L N 0.272 121.436 121.223 -0.099 0.000 2.201 51 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 51 L C 2.412 179.302 176.870 0.033 0.000 1.105 51 L CA 1.268 56.107 54.840 -0.002 0.000 0.775 51 L CB -0.428 41.657 42.059 0.044 0.000 0.913 51 L HN 0.166 nan 8.230 nan 0.000 0.440 52 K N -0.711 119.717 120.400 0.047 0.000 2.228 52 K HA -0.078 4.242 4.320 -0.000 0.000 0.202 52 K C 0.391 176.997 176.600 0.010 0.000 1.051 52 K CA 0.305 56.583 56.287 -0.016 0.000 0.960 52 K CB 0.100 32.616 32.500 0.027 0.000 0.743 52 K HN 0.085 nan 8.250 nan 0.000 0.458 53 D N 0.045 120.510 120.400 0.107 0.000 2.339 53 D HA 0.120 4.760 4.640 -0.000 0.000 0.241 53 D C 0.377 176.795 176.300 0.197 0.000 1.183 53 D CA -0.110 53.997 54.000 0.179 0.000 0.859 53 D CB 1.556 42.565 40.800 0.348 0.000 1.067 53 D HN 0.114 nan 8.370 nan 0.000 0.484 54 A N 4.842 127.742 122.820 0.133 0.000 2.121 54 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 54 A C 1.994 179.625 177.584 0.077 0.000 1.154 54 A CA 0.788 52.910 52.037 0.141 0.000 0.679 54 A CB -0.083 19.007 19.000 0.151 0.000 0.795 54 A HN 0.597 nan 8.150 nan 0.000 0.458 55 R N -1.453 119.053 120.500 0.009 0.000 2.115 55 R HA -0.024 4.316 4.340 -0.000 0.000 0.230 55 R C -0.465 175.705 176.300 -0.217 0.000 1.111 55 R CA 0.494 56.515 56.100 -0.133 0.000 0.976 55 R CB -0.239 29.915 30.300 -0.243 0.000 0.870 55 R HN 0.484 nan 8.270 nan 0.000 0.445 56 F N 2.213 122.160 119.950 -0.006 0.000 2.439 56 F HA 0.162 4.689 4.527 0.000 0.000 0.356 56 F C 0.486 176.284 175.800 -0.004 0.000 1.161 56 F CA 0.002 57.991 58.000 -0.017 0.000 1.151 56 F CB 0.410 39.392 39.000 -0.030 0.000 1.222 56 F HN -0.301 nan 8.300 nan 0.000 0.558 57 K N 2.497 122.970 120.400 0.121 0.000 2.098 57 K HA 0.544 4.864 4.320 -0.000 0.000 0.261 57 K C -0.340 176.288 176.600 0.047 0.000 0.987 57 K CA -1.004 55.329 56.287 0.078 0.000 0.916 57 K CB 1.685 34.213 32.500 0.046 0.000 1.039 57 K HN 0.433 nan 8.250 nan 0.000 0.455 58 V N 0.426 120.335 119.914 -0.008 0.000 3.051 58 V HA 0.439 4.559 4.120 -0.000 0.000 0.306 58 V C -0.075 176.046 176.094 0.045 0.000 1.083 58 V CA -0.398 61.877 62.300 -0.043 0.000 1.104 58 V CB 0.808 32.488 31.823 -0.239 0.000 1.027 58 V HN 0.891 nan 8.190 nan 0.000 0.483 59 R N 1.347 121.903 120.500 0.093 0.000 2.764 59 R HA 0.409 4.749 4.340 -0.000 0.000 0.270 59 R C -0.495 175.812 176.300 0.013 0.000 1.014 59 R CA -0.069 56.070 56.100 0.065 0.000 0.904 59 R CB 0.889 31.205 30.300 0.026 0.000 1.236 59 R HN 0.859 nan 8.270 nan 0.000 0.466 60 T N 1.964 116.474 114.554 -0.074 0.000 2.902 60 T HA 0.161 4.511 4.350 -0.000 0.000 0.301 60 T C -1.310 173.204 174.700 -0.311 0.000 1.012 60 T CA -1.060 60.868 62.100 -0.286 0.000 1.151 60 T CB 0.365 69.147 68.868 -0.144 0.000 0.946 60 T HN 0.486 nan 8.240 nan 0.000 0.542 61 P HA 0.148 nan 4.420 nan 0.000 0.237 61 P C -0.057 177.158 177.300 -0.142 0.000 1.178 61 P CA 0.485 63.408 63.100 -0.294 0.000 0.766 61 P CB 0.175 31.655 31.700 -0.368 0.000 0.876 62 L N -0.215 120.934 121.223 -0.124 0.000 2.323 62 L HA 0.512 4.852 4.340 -0.000 0.000 0.265 62 L C -2.481 174.387 176.870 -0.004 0.000 1.012 62 L CA -3.131 51.699 54.840 -0.018 0.000 0.820 62 L CB 1.611 43.686 42.059 0.026 0.000 1.334 62 L HN -0.404 nan 8.230 nan 0.000 0.427 63 P HA -0.054 nan 4.420 nan 0.000 0.264 63 P C 0.182 177.495 177.300 0.021 0.000 1.183 63 P CA 0.051 63.169 63.100 0.030 0.000 0.763 63 P CB 0.419 32.143 31.700 0.040 0.000 0.807 64 E N 0.980 121.190 120.200 0.017 0.000 2.110 64 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 64 E C 0.677 177.293 176.600 0.026 0.000 0.988 64 E CA 1.334 57.745 56.400 0.018 0.000 0.804 64 E CB -0.523 29.189 29.700 0.019 0.000 0.745 64 E HN 0.221 nan 8.360 nan 0.000 0.458 65 S N 0.311 116.025 115.700 0.023 0.000 2.577 65 S HA 0.080 4.550 4.470 -0.000 0.000 0.219 65 S C 0.295 174.905 174.600 0.016 0.000 0.962 65 S CA -0.191 58.021 58.200 0.020 0.000 0.921 65 S CB 0.564 63.773 63.200 0.015 0.000 0.789 65 S HN 0.245 nan 8.310 nan 0.000 0.497 66 S N 2.511 118.224 115.700 0.021 0.000 2.528 66 S HA 0.203 4.673 4.470 -0.000 0.000 0.277 66 S C 0.996 175.602 174.600 0.011 0.000 1.297 66 S CA -0.222 57.986 58.200 0.013 0.000 1.052 66 S CB 0.489 63.709 63.200 0.033 0.000 0.917 66 S HN 0.446 nan 8.310 nan 0.000 0.492 67 T N 1.871 116.411 114.554 -0.022 0.000 3.182 67 T HA 0.315 4.665 4.350 -0.000 0.000 0.277 67 T C 1.144 175.788 174.700 -0.093 0.000 1.013 67 T CA -0.484 61.598 62.100 -0.030 0.000 0.900 67 T CB 0.076 68.929 68.868 -0.025 0.000 1.098 67 T HN 0.617 nan 8.240 nan 0.000 0.543 68 K N 0.953 121.246 120.400 -0.178 0.000 2.057 68 K HA -0.027 4.293 4.320 -0.000 0.000 0.207 68 K C -0.408 175.834 176.600 -0.596 0.000 1.049 68 K CA 1.101 57.132 56.287 -0.426 0.000 0.931 68 K CB 0.016 32.163 32.500 -0.588 0.000 0.714 68 K HN 0.564 nan 8.250 nan 0.000 0.440 69 Y N 0.711 121.018 120.300 0.012 0.000 2.836 69 Y HA 0.182 4.732 4.550 0.000 0.000 0.359 69 Y C 1.025 176.938 175.900 0.021 0.000 1.060 69 Y CA -0.650 57.459 58.100 0.016 0.000 1.161 69 Y CB 0.832 39.302 38.460 0.017 0.000 1.225 69 Y HN 0.097 nan 8.280 nan 0.000 0.621 70 Q N 1.105 120.958 119.800 0.088 0.000 2.096 70 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 70 Q C 0.907 176.965 176.000 0.097 0.000 0.982 70 Q CA 2.238 58.080 55.803 0.065 0.000 0.850 70 Q CB 0.252 28.999 28.738 0.015 0.000 0.901 70 Q HN 0.673 nan 8.270 nan 0.000 0.422 71 D N 0.204 120.662 120.400 0.096 0.000 2.162 71 D HA -0.129 4.511 4.640 -0.000 0.000 0.203 71 D C 2.011 178.383 176.300 0.120 0.000 0.967 71 D CA 0.618 54.679 54.000 0.102 0.000 0.840 71 D CB 0.014 40.854 40.800 0.067 0.000 0.972 71 D HN 0.238 nan 8.370 nan 0.000 0.482 72 L N 1.342 122.634 121.223 0.115 0.000 2.017 72 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 72 L C 2.281 179.204 176.870 0.088 0.000 1.073 72 L CA 1.622 56.514 54.840 0.087 0.000 0.745 72 L CB -0.672 41.431 42.059 0.074 0.000 0.894 72 L HN -0.191 nan 8.230 nan 0.000 0.432 73 S N -1.402 114.368 115.700 0.116 0.000 2.368 73 S HA -0.270 4.200 4.470 -0.000 0.000 0.225 73 S C 1.966 176.628 174.600 0.103 0.000 1.030 73 S CA 1.464 59.719 58.200 0.092 0.000 0.999 73 S CB -0.580 62.682 63.200 0.103 0.000 0.844 73 S HN 0.749 nan 8.310 nan 0.000 0.459 74 H N 1.051 120.145 119.070 0.039 0.000 2.353 74 H HA -0.005 4.551 4.556 -0.000 0.000 0.300 74 H C 1.841 177.194 175.328 0.043 0.000 1.090 74 H CA 1.749 57.818 56.048 0.036 0.000 1.327 74 H CB -0.393 29.387 29.762 0.030 0.000 1.383 74 H HN 0.156 nan 8.280 nan 0.000 0.508 75 V N 0.587 120.512 119.914 0.017 0.000 2.307 75 V HA -0.263 3.857 4.120 -0.000 0.000 0.245 75 V C 2.363 178.460 176.094 0.004 0.000 1.045 75 V CA 2.133 64.415 62.300 -0.030 0.000 1.024 75 V CB -0.588 31.247 31.823 0.019 0.000 0.651 75 V HN 0.501 nan 8.190 nan 0.000 0.449 76 Q N 0.222 120.053 119.800 0.052 0.000 2.061 76 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 76 Q C 2.100 178.204 176.000 0.174 0.000 0.984 76 Q CA 1.813 57.693 55.803 0.128 0.000 0.846 76 Q CB -0.289 28.444 28.738 -0.009 0.000 0.902 76 Q HN 0.617 nan 8.270 nan 0.000 0.421 77 N N 0.403 119.135 118.700 0.054 0.000 2.453 77 N HA -0.113 4.627 4.740 -0.000 0.000 0.183 77 N C 1.087 176.627 175.510 0.051 0.000 1.041 77 N CA 0.876 53.962 53.050 0.061 0.000 0.900 77 N CB 0.042 38.545 38.487 0.026 0.000 0.961 77 N HN 0.330 nan 8.380 nan 0.000 0.443 78 Q N -0.536 119.253 119.800 -0.019 0.000 2.425 78 Q HA 0.203 4.543 4.340 -0.000 0.000 0.204 78 Q C 0.020 176.032 176.000 0.019 0.000 0.933 78 Q CA 0.104 55.881 55.803 -0.042 0.000 0.939 78 Q CB 0.253 28.898 28.738 -0.156 0.000 1.044 78 Q HN 0.377 nan 8.270 nan 0.000 0.513 79 M N 1.106 120.754 119.600 0.081 0.000 2.217 79 M HA 0.093 4.573 4.480 -0.000 0.000 0.354 79 M C 1.347 177.674 176.300 0.045 0.000 1.225 79 M CA -0.121 55.210 55.300 0.053 0.000 1.137 79 M CB 0.976 33.614 32.600 0.062 0.000 1.576 79 M HN 0.204 nan 8.290 nan 0.000 0.461 80 M N 1.809 121.429 119.600 0.033 0.000 2.267 80 M HA -0.141 4.339 4.480 -0.000 0.000 0.263 80 M C 1.351 177.740 176.300 0.148 0.000 1.063 80 M CA 1.730 57.106 55.300 0.128 0.000 1.090 80 M CB -0.450 32.214 32.600 0.107 0.000 1.392 80 M HN 0.647 nan 8.290 nan 0.000 0.422 81 L N 0.509 121.656 121.223 -0.127 0.000 2.191 81 L HA -0.005 4.335 4.340 -0.000 0.000 0.212 81 L C 0.825 177.359 176.870 -0.560 0.000 1.103 81 L CA 1.771 56.365 54.840 -0.409 0.000 0.769 81 L CB -0.397 41.191 42.059 -0.784 0.000 0.908 81 L HN 0.370 nan 8.230 nan 0.000 0.438 82 F N -1.204 118.757 119.950 0.017 0.000 2.668 82 F HA 0.376 4.903 4.527 -0.000 0.000 0.301 82 F C 0.624 176.434 175.800 0.016 0.000 1.106 82 F CA -0.791 57.198 58.000 -0.019 0.000 1.289 82 F CB -0.270 38.730 39.000 0.001 0.000 1.006 82 F HN -0.033 nan 8.300 nan 0.000 0.535 83 Q N 0.897 120.804 119.800 0.180 0.000 2.274 83 Q HA 0.367 4.707 4.340 -0.000 0.000 0.260 83 Q C -0.250 175.859 176.000 0.182 0.000 0.974 83 Q CA -0.317 55.593 55.803 0.177 0.000 0.876 83 Q CB 2.340 31.187 28.738 0.182 0.000 1.297 83 Q HN 0.217 nan 8.270 nan 0.000 0.446 84 N N 0.704 119.484 118.700 0.134 0.000 2.681 84 N HA 0.222 4.962 4.740 -0.000 0.000 0.311 84 N C -0.335 175.235 175.510 0.101 0.000 1.303 84 N CA -0.614 52.502 53.050 0.110 0.000 0.926 84 N CB 0.747 39.280 38.487 0.077 0.000 1.136 84 N HN 0.367 nan 8.380 nan 0.000 0.592 85 Q N 0.880 120.714 119.800 0.056 0.000 2.361 85 Q HA 0.121 4.461 4.340 -0.000 0.000 0.276 85 Q C -1.386 174.631 176.000 0.028 0.000 1.022 85 Q CA -0.918 54.902 55.803 0.029 0.000 0.898 85 Q CB 0.423 29.159 28.738 -0.005 0.000 1.246 85 Q HN 0.434 nan 8.270 nan 0.000 0.410 86 P HA 0.065 nan 4.420 nan 0.000 0.267 86 P C -0.255 177.051 177.300 0.011 0.000 1.289 86 P CA 0.233 63.335 63.100 0.004 0.000 0.866 86 P CB 0.521 32.217 31.700 -0.007 0.000 1.309 87 D N -0.562 119.860 120.400 0.037 0.000 2.178 87 D HA -0.173 4.467 4.640 -0.000 0.000 0.202 87 D C 1.696 178.025 176.300 0.048 0.000 0.974 87 D CA 0.919 54.941 54.000 0.038 0.000 0.841 87 D CB -0.240 40.591 40.800 0.052 0.000 0.953 87 D HN 0.424 nan 8.370 nan 0.000 0.478 88 H N 1.365 120.423 119.070 -0.020 0.000 2.293 88 H HA -0.096 4.460 4.556 -0.000 0.000 0.300 88 H C 2.203 177.483 175.328 -0.080 0.000 1.082 88 H CA 1.531 57.556 56.048 -0.039 0.000 1.308 88 H CB 0.266 29.992 29.762 -0.061 0.000 1.375 88 H HN -0.076 nan 8.280 nan 0.000 0.495 89 R N 0.687 121.027 120.500 -0.266 0.000 2.091 89 R HA -0.117 4.223 4.340 -0.000 0.000 0.238 89 R C 2.840 179.014 176.300 -0.210 0.000 1.136 89 R CA 1.679 57.598 56.100 -0.303 0.000 0.959 89 R CB -0.325 29.873 30.300 -0.169 0.000 0.856 89 R HN 0.303 nan 8.270 nan 0.000 0.437 90 R N 0.007 120.431 120.500 -0.126 0.000 2.080 90 R HA -0.132 4.208 4.340 -0.000 0.000 0.236 90 R C 2.098 178.346 176.300 -0.087 0.000 1.137 90 R CA 1.884 57.934 56.100 -0.083 0.000 0.943 90 R CB -0.375 29.897 30.300 -0.046 0.000 0.846 90 R HN 0.256 nan 8.270 nan 0.000 0.431 91 L N -0.010 121.158 121.223 -0.092 0.000 2.056 91 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 91 L C 2.923 179.735 176.870 -0.097 0.000 1.078 91 L CA 1.352 56.150 54.840 -0.069 0.000 0.749 91 L CB -0.447 41.592 42.059 -0.034 0.000 0.901 91 L HN 0.271 nan 8.230 nan 0.000 0.433 92 R N -0.228 120.152 120.500 -0.200 0.000 2.066 92 R HA -0.142 4.198 4.340 -0.000 0.000 0.232 92 R C 2.253 178.486 176.300 -0.112 0.000 1.131 92 R CA 1.960 57.941 56.100 -0.199 0.000 0.955 92 R CB -0.272 29.781 30.300 -0.411 0.000 0.851 92 R HN 0.213 nan 8.270 nan 0.000 0.432 93 T N 1.638 116.117 114.554 -0.124 0.000 2.720 93 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 93 T C 1.759 176.439 174.700 -0.034 0.000 1.037 93 T CA 1.394 63.452 62.100 -0.071 0.000 1.144 93 T CB -0.126 68.698 68.868 -0.074 0.000 0.864 93 T HN 0.191 nan 8.240 nan 0.000 0.444 94 L N 0.384 121.587 121.223 -0.034 0.000 2.141 94 L HA 0.007 4.347 4.340 -0.000 0.000 0.209 94 L C 2.764 179.640 176.870 0.011 0.000 1.094 94 L CA 1.020 55.851 54.840 -0.014 0.000 0.763 94 L CB -0.415 41.634 42.059 -0.017 0.000 0.908 94 L HN 0.240 nan 8.230 nan 0.000 0.437 95 A N -0.758 122.081 122.820 0.031 0.000 2.147 95 A HA -0.041 4.279 4.320 -0.000 0.000 0.211 95 A C 2.367 180.060 177.584 0.181 0.000 1.160 95 A CA 0.823 52.919 52.037 0.099 0.000 0.781 95 A CB -0.267 18.801 19.000 0.113 0.000 0.842 95 A HN 0.431 nan 8.150 nan 0.000 0.475 96 S N -0.381 115.391 115.700 0.120 0.000 2.447 96 S HA 0.005 4.475 4.470 -0.000 0.000 0.233 96 S C 1.887 176.560 174.600 0.123 0.000 1.006 96 S CA 1.073 59.367 58.200 0.157 0.000 0.957 96 S CB -0.806 62.430 63.200 0.060 0.000 0.773 96 S HN 0.578 nan 8.310 nan 0.000 0.507 97 G N 1.266 110.092 108.800 0.043 0.000 2.448 97 G HA2 0.104 4.064 3.960 -0.000 0.000 0.219 97 G HA3 0.104 4.064 3.960 -0.000 0.000 0.219 97 G C 1.389 176.243 174.900 -0.077 0.000 1.127 97 G CA 0.543 45.634 45.100 -0.015 0.000 0.766 97 G HN 0.786 nan 8.290 nan 0.000 0.552 98 A N -0.615 122.105 122.820 -0.167 0.000 2.251 98 A HA 0.523 4.843 4.320 -0.000 0.000 0.209 98 A C 1.123 178.348 177.584 -0.599 0.000 1.187 98 A CA 0.243 52.030 52.037 -0.417 0.000 0.823 98 A CB -0.043 18.581 19.000 -0.626 0.000 0.846 98 A HN 0.275 nan 8.150 nan 0.000 0.486 99 F N -0.074 119.908 119.950 0.054 0.000 2.772 99 F HA 0.134 4.661 4.527 -0.000 0.000 0.316 99 F C 1.190 176.990 175.800 -0.001 0.000 1.114 99 F CA -0.132 57.898 58.000 0.050 0.000 1.191 99 F CB -0.210 38.809 39.000 0.032 0.000 1.065 99 F HN 0.061 nan 8.300 nan 0.000 0.534 100 T N -1.892 112.708 114.554 0.078 0.000 2.903 100 T HA 0.073 4.423 4.350 -0.000 0.000 0.314 100 T C -1.595 173.104 174.700 -0.002 0.000 1.078 100 T CA -1.173 60.942 62.100 0.025 0.000 1.114 100 T CB 1.041 69.899 68.868 -0.016 0.000 0.987 100 T HN -0.152 nan 8.240 nan 0.000 0.548 101 P HA -0.123 nan 4.420 nan 0.000 0.216 101 P C 1.723 178.994 177.300 -0.048 0.000 1.153 101 P CA 1.088 64.179 63.100 -0.015 0.000 0.858 101 P CB 0.044 31.737 31.700 -0.011 0.000 0.789 102 R N -0.902 119.561 120.500 -0.062 0.000 2.066 102 R HA -0.083 4.256 4.340 -0.000 0.000 0.232 102 R C 1.990 178.196 176.300 -0.158 0.000 1.131 102 R CA 2.074 58.122 56.100 -0.087 0.000 0.955 102 R CB -0.821 29.436 30.300 -0.072 0.000 0.851 102 R HN 0.133 nan 8.270 nan 0.000 0.432 103 T N -0.193 114.242 114.554 -0.199 0.000 2.821 103 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 103 T C 1.713 176.018 174.700 -0.659 0.000 1.046 103 T CA 1.729 63.603 62.100 -0.377 0.000 1.139 103 T CB -0.284 68.398 68.868 -0.311 0.000 0.871 103 T HN 0.345 nan 8.240 nan 0.000 0.454 104 T N 1.762 116.105 114.554 -0.351 0.000 2.746 104 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 104 T C 1.884 176.492 174.700 -0.152 0.000 1.039 104 T CA 1.316 63.308 62.100 -0.181 0.000 1.142 104 T CB -0.282 68.623 68.868 0.062 0.000 0.866 104 T HN 0.525 nan 8.240 nan 0.000 0.444 105 E N 1.081 121.205 120.200 -0.126 0.000 2.209 105 E HA -0.156 4.194 4.350 -0.000 0.000 0.196 105 E C 2.178 178.725 176.600 -0.089 0.000 0.993 105 E CA 1.331 57.691 56.400 -0.066 0.000 0.819 105 E CB -0.082 29.585 29.700 -0.054 0.000 0.745 105 E HN 0.596 nan 8.360 nan 0.000 0.477 106 S N -0.732 114.837 115.700 -0.218 0.000 2.522 106 S HA -0.092 4.378 4.470 -0.000 0.000 0.227 106 S C 1.317 175.866 174.600 -0.085 0.000 0.986 106 S CA 0.209 58.299 58.200 -0.183 0.000 0.929 106 S CB -0.284 62.763 63.200 -0.255 0.000 0.769 106 S HN 0.305 nan 8.310 nan 0.000 0.529 107 Y N 1.693 122.004 120.300 0.018 0.000 2.519 107 Y HA 0.266 4.816 4.550 -0.000 0.000 0.287 107 Y C 2.517 178.472 175.900 0.091 0.000 1.128 107 Y CA -0.264 57.864 58.100 0.046 0.000 1.282 107 Y CB -0.924 37.558 38.460 0.037 0.000 1.027 107 Y HN 0.409 nan 8.280 nan 0.000 0.551 108 Q N 0.767 120.680 119.800 0.188 0.000 2.077 108 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 108 Q C -0.758 175.323 176.000 0.133 0.000 0.989 108 Q CA 2.352 58.238 55.803 0.139 0.000 0.853 108 Q CB -0.830 27.958 28.738 0.084 0.000 0.907 108 Q HN 0.248 nan 8.270 nan 0.000 0.418 109 P HA -0.204 nan 4.420 nan 0.000 0.215 109 P C 0.673 178.054 177.300 0.136 0.000 1.157 109 P CA 1.295 64.464 63.100 0.115 0.000 0.874 109 P CB -0.314 31.450 31.700 0.106 0.000 0.790 110 Y N -0.084 120.251 120.300 0.059 0.000 2.293 110 Y HA -0.141 4.409 4.550 0.000 0.000 0.291 110 Y C 2.069 177.982 175.900 0.022 0.000 1.137 110 Y CA 1.309 59.430 58.100 0.035 0.000 1.202 110 Y CB -0.759 37.728 38.460 0.045 0.000 0.990 110 Y HN -0.163 nan 8.280 nan 0.000 0.537 111 I N -0.533 120.111 120.570 0.124 0.000 2.233 111 I HA -0.294 3.876 4.170 -0.000 0.000 0.243 111 I C 2.207 178.306 176.117 -0.029 0.000 1.093 111 I CA 1.296 62.616 61.300 0.032 0.000 1.380 111 I CB -0.374 37.681 38.000 0.092 0.000 1.067 111 I HN 0.167 nan 8.210 nan 0.000 0.413 112 I N 0.803 121.387 120.570 0.022 0.000 2.163 112 I HA -0.336 3.834 4.170 -0.000 0.000 0.243 112 I C 2.697 178.860 176.117 0.077 0.000 1.085 112 I CA 1.751 63.078 61.300 0.046 0.000 1.347 112 I CB -0.474 37.590 38.000 0.107 0.000 1.044 112 I HN 0.357 nan 8.210 nan 0.000 0.408 113 E N 0.727 120.935 120.200 0.013 0.000 2.077 113 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 113 E C 2.014 178.557 176.600 -0.095 0.000 0.989 113 E CA 1.978 58.363 56.400 -0.026 0.000 0.800 113 E CB -0.015 29.618 29.700 -0.111 0.000 0.746 113 E HN 0.415 nan 8.360 nan 0.000 0.452 114 T N 0.646 115.048 114.554 -0.255 0.000 2.777 114 T HA -0.085 4.265 4.350 -0.000 0.000 0.266 114 T C 1.975 176.641 174.700 -0.058 0.000 1.040 114 T CA 1.158 63.094 62.100 -0.272 0.000 1.141 114 T CB -0.136 68.461 68.868 -0.452 0.000 0.868 114 T HN 0.030 nan 8.240 nan 0.000 0.444 115 V N 1.440 121.330 119.914 -0.040 0.000 2.287 115 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 115 V C 2.503 178.615 176.094 0.030 0.000 1.053 115 V CA 1.665 63.994 62.300 0.049 0.000 1.027 115 V CB -0.658 31.151 31.823 -0.023 0.000 0.646 115 V HN 0.569 nan 8.190 nan 0.000 0.447 116 H N -0.876 118.224 119.070 0.051 0.000 2.353 116 H HA -0.190 4.366 4.556 -0.000 0.000 0.300 116 H C 2.381 177.726 175.328 0.028 0.000 1.090 116 H CA 2.210 58.270 56.048 0.021 0.000 1.327 116 H CB -0.369 29.396 29.762 0.006 0.000 1.383 116 H HN 0.633 nan 8.280 nan 0.000 0.508 117 H N 0.837 119.939 119.070 0.055 0.000 2.353 117 H HA -0.062 4.494 4.556 -0.000 0.000 0.300 117 H C 2.330 177.664 175.328 0.011 0.000 1.090 117 H CA 1.380 57.422 56.048 -0.009 0.000 1.327 117 H CB -0.382 29.318 29.762 -0.105 0.000 1.383 117 H HN 0.166 nan 8.280 nan 0.000 0.508 118 L N -0.402 120.765 121.223 -0.093 0.000 2.109 118 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 118 L C 2.352 179.191 176.870 -0.052 0.000 1.086 118 L CA 0.732 55.529 54.840 -0.072 0.000 0.760 118 L CB -0.209 41.954 42.059 0.174 0.000 0.910 118 L HN 0.300 nan 8.230 nan 0.000 0.437 119 L N -0.797 120.390 121.223 -0.060 0.000 2.313 119 L HA -0.129 4.211 4.340 -0.000 0.000 0.214 119 L C 1.950 178.760 176.870 -0.100 0.000 1.119 119 L CA 0.463 55.207 54.840 -0.161 0.000 0.809 119 L CB -0.492 41.425 42.059 -0.237 0.000 0.933 119 L HN 0.232 nan 8.230 nan 0.000 0.449 120 D N 0.199 120.564 120.400 -0.059 0.000 2.144 120 D HA -0.189 4.451 4.640 -0.000 0.000 0.199 120 D C 2.123 178.398 176.300 -0.041 0.000 0.984 120 D CA 1.135 55.115 54.000 -0.034 0.000 0.834 120 D CB -0.029 40.766 40.800 -0.008 0.000 0.955 120 D HN 0.399 nan 8.370 nan 0.000 0.465 121 Q N -0.125 119.625 119.800 -0.084 0.000 2.436 121 Q HA -0.025 4.315 4.340 -0.000 0.000 0.209 121 Q C 1.714 177.714 176.000 0.000 0.000 0.965 121 Q CA 0.539 56.309 55.803 -0.056 0.000 0.910 121 Q CB 0.577 29.255 28.738 -0.099 0.000 0.980 121 Q HN 0.305 nan 8.270 nan 0.000 0.491 122 V N -4.535 115.390 119.914 0.018 0.000 3.398 122 V HA 0.102 4.222 4.120 -0.000 0.000 0.298 122 V C 1.647 177.861 176.094 0.200 0.000 1.496 122 V CA 0.010 62.371 62.300 0.101 0.000 1.044 122 V CB 0.384 32.280 31.823 0.121 0.000 0.880 122 V HN -0.017 nan 8.190 nan 0.000 0.443 123 Q N 2.925 122.787 119.800 0.104 0.000 2.152 123 Q HA -0.050 4.290 4.340 -0.000 0.000 0.206 123 Q C 1.976 178.112 176.000 0.226 0.000 0.985 123 Q CA 2.706 58.593 55.803 0.138 0.000 0.863 123 Q CB -0.834 27.927 28.738 0.038 0.000 0.904 123 Q HN 0.694 nan 8.270 nan 0.000 0.422 124 G N -1.005 107.870 108.800 0.124 0.000 2.985 124 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.209 124 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.209 124 G C 0.932 175.850 174.900 0.030 0.000 1.165 124 G CA -0.025 45.118 45.100 0.072 0.000 0.776 124 G HN 0.261 nan 8.290 nan 0.000 0.541 125 K N 0.242 120.666 120.400 0.039 0.000 2.361 125 K HA 0.104 4.424 4.320 -0.000 0.000 0.196 125 K C 1.054 177.518 176.600 -0.227 0.000 1.039 125 K CA 0.057 56.315 56.287 -0.050 0.000 1.001 125 K CB 0.154 32.655 32.500 0.002 0.000 0.795 125 K HN 0.002 nan 8.250 nan 0.000 0.495 126 K N 0.377 120.503 120.400 -0.457 0.000 3.529 126 K HA -0.227 4.093 4.320 -0.000 0.000 0.313 126 K C -0.391 175.500 176.600 -1.181 0.000 1.316 126 K CA 1.587 57.341 56.287 -0.889 0.000 0.988 126 K CB -1.503 30.762 32.500 -0.391 0.000 1.252 126 K HN 0.455 nan 8.250 nan 0.000 0.438 127 K N -0.464 119.426 120.400 -0.850 0.000 2.556 127 K HA 0.711 5.031 4.320 -0.000 0.000 0.274 127 K C -0.580 176.022 176.600 0.004 0.000 0.966 127 K CA -1.113 54.931 56.287 -0.405 0.000 0.865 127 K CB 2.132 34.509 32.500 -0.205 0.000 1.444 127 K HN 0.103 nan 8.250 nan 0.000 0.433 128 M N -0.351 119.342 119.600 0.155 0.000 2.603 128 M HA 0.437 4.917 4.480 -0.000 0.000 0.275 128 M C -1.773 174.600 176.300 0.121 0.000 1.226 128 M CA -0.662 54.742 55.300 0.174 0.000 0.870 128 M CB 2.555 35.304 32.600 0.248 0.000 1.716 128 M HN 0.595 nan 8.290 nan 0.000 0.482 129 E N 2.015 122.274 120.200 0.099 0.000 2.055 129 E HA 0.294 4.644 4.350 -0.000 0.000 0.274 129 E C 0.310 176.979 176.600 0.116 0.000 0.949 129 E CA -0.219 56.234 56.400 0.088 0.000 0.775 129 E CB 1.698 31.435 29.700 0.062 0.000 1.097 129 E HN 0.754 nan 8.360 nan 0.000 0.404 130 V N 5.654 125.641 119.914 0.121 0.000 2.380 130 V HA -0.297 3.823 4.120 -0.000 0.000 0.251 130 V C 2.084 178.297 176.094 0.198 0.000 1.063 130 V CA 1.704 64.109 62.300 0.175 0.000 1.055 130 V CB -0.412 31.495 31.823 0.141 0.000 0.657 130 V HN 0.669 nan 8.190 nan 0.000 0.455 131 I N -0.774 119.876 120.570 0.132 0.000 2.235 131 I HA -0.154 4.016 4.170 -0.000 0.000 0.241 131 I C 2.646 178.852 176.117 0.148 0.000 1.085 131 I CA 1.654 63.032 61.300 0.130 0.000 1.378 131 I CB -0.454 37.597 38.000 0.085 0.000 1.076 131 I HN 0.237 nan 8.210 nan 0.000 0.415 132 S N 0.103 115.860 115.700 0.095 0.000 2.402 132 S HA -0.156 4.314 4.470 -0.000 0.000 0.229 132 S C 1.545 176.219 174.600 0.123 0.000 1.021 132 S CA 1.456 59.695 58.200 0.066 0.000 0.974 132 S CB -0.177 63.034 63.200 0.019 0.000 0.800 132 S HN 0.355 nan 8.310 nan 0.000 0.484 133 D N -1.168 119.324 120.400 0.154 0.000 2.366 133 D HA 0.180 4.820 4.640 -0.000 0.000 0.205 133 D C 0.834 177.297 176.300 0.272 0.000 1.022 133 D CA 0.393 54.496 54.000 0.171 0.000 0.868 133 D CB 0.317 41.199 40.800 0.137 0.000 0.953 133 D HN 0.443 nan 8.370 nan 0.000 0.514 134 F N 0.585 120.579 119.950 0.074 0.000 1.901 134 F HA 0.360 4.888 4.527 0.000 0.000 0.239 134 F C 1.847 177.691 175.800 0.073 0.000 1.133 134 F CA 0.544 58.575 58.000 0.051 0.000 1.271 134 F CB -0.512 38.495 39.000 0.012 0.000 1.652 134 F HN -0.164 nan 8.300 nan 0.000 0.543 135 A N 0.432 123.228 122.820 -0.040 0.000 1.877 135 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 135 A C 2.127 179.669 177.584 -0.070 0.000 1.186 135 A CA 1.978 53.913 52.037 -0.171 0.000 0.620 135 A CB -1.571 17.423 19.000 -0.010 0.000 0.822 135 A HN 0.509 nan 8.150 nan 0.000 0.443 136 F N 0.955 120.873 119.950 -0.054 0.000 2.084 136 F HA 0.000 4.527 4.527 -0.000 0.000 0.296 136 F C -0.643 175.131 175.800 -0.043 0.000 1.111 136 F CA 1.764 59.743 58.000 -0.036 0.000 1.224 136 F CB -0.808 38.194 39.000 0.004 0.000 0.991 136 F HN 0.153 nan 8.300 nan 0.000 0.471 137 P HA -0.213 nan 4.420 nan 0.000 0.215 137 P C 1.868 179.271 177.300 0.172 0.000 1.157 137 P CA 1.447 64.663 63.100 0.194 0.000 0.874 137 P CB -0.172 31.707 31.700 0.299 0.000 0.790 138 L N -0.080 121.168 121.223 0.041 0.000 1.970 138 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 138 L C 2.279 179.105 176.870 -0.072 0.000 1.071 138 L CA 2.459 57.285 54.840 -0.023 0.000 0.751 138 L CB -1.610 40.301 42.059 -0.246 0.000 0.889 138 L HN -0.094 nan 8.230 nan 0.000 0.432 139 A N -1.631 121.056 122.820 -0.222 0.000 1.933 139 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 139 A C 2.521 179.830 177.584 -0.458 0.000 1.175 139 A CA 2.018 53.872 52.037 -0.305 0.000 0.628 139 A CB -1.159 17.627 19.000 -0.357 0.000 0.814 139 A HN 0.580 nan 8.150 nan 0.000 0.444 140 S N -1.487 113.837 115.700 -0.627 0.000 2.355 140 S HA -0.111 4.359 4.470 -0.000 0.000 0.222 140 S C 1.720 176.131 174.600 -0.315 0.000 1.031 140 S CA 1.425 59.192 58.200 -0.721 0.000 0.993 140 S CB -0.511 62.314 63.200 -0.625 0.000 0.859 140 S HN 0.449 nan 8.310 nan 0.000 0.453 141 F N 1.509 121.390 119.950 -0.115 0.000 2.095 141 F HA -0.075 4.452 4.527 0.000 0.000 0.298 141 F C 2.428 178.281 175.800 0.090 0.000 1.104 141 F CA 1.160 59.184 58.000 0.041 0.000 1.232 141 F CB -0.878 38.173 39.000 0.086 0.000 0.987 141 F HN 0.054 nan 8.300 nan 0.000 0.475 142 V N -0.337 119.715 119.914 0.229 0.000 2.261 142 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 142 V C 2.238 178.287 176.094 -0.075 0.000 1.047 142 V CA 1.771 64.139 62.300 0.114 0.000 1.015 142 V CB -0.637 31.209 31.823 0.038 0.000 0.642 142 V HN 0.249 nan 8.190 nan 0.000 0.446 143 I N 0.512 121.026 120.570 -0.094 0.000 2.353 143 I HA -0.073 4.097 4.170 -0.000 0.000 0.248 143 I C 2.340 178.453 176.117 -0.006 0.000 1.119 143 I CA 1.481 62.740 61.300 -0.069 0.000 1.417 143 I CB -0.625 37.339 38.000 -0.059 0.000 1.078 143 I HN 0.169 nan 8.210 nan 0.000 0.421 144 A N -0.009 122.818 122.820 0.011 0.000 1.930 144 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 144 A C 2.293 179.901 177.584 0.039 0.000 1.175 144 A CA 1.866 53.947 52.037 0.073 0.000 0.627 144 A CB -1.016 18.019 19.000 0.058 0.000 0.815 144 A HN 0.605 nan 8.150 nan 0.000 0.443 145 N N -0.132 118.552 118.700 -0.027 0.000 2.188 145 N HA -0.092 4.648 4.740 -0.000 0.000 0.184 145 N C 1.739 177.145 175.510 -0.174 0.000 1.018 145 N CA 1.419 54.384 53.050 -0.141 0.000 0.858 145 N CB -0.128 38.125 38.487 -0.391 0.000 0.989 145 N HN 0.529 nan 8.380 nan 0.000 0.426 146 I N 0.862 121.304 120.570 -0.213 0.000 2.233 146 I HA -0.213 3.957 4.170 -0.000 0.000 0.243 146 I C 2.159 178.227 176.117 -0.082 0.000 1.093 146 I CA 0.803 61.967 61.300 -0.227 0.000 1.380 146 I CB -0.124 37.653 38.000 -0.372 0.000 1.067 146 I HN 0.094 nan 8.210 nan 0.000 0.413 147 I N 0.342 120.911 120.570 -0.001 0.000 2.252 147 I HA -0.143 4.027 4.170 -0.000 0.000 0.245 147 I C 1.552 177.733 176.117 0.106 0.000 1.102 147 I CA 1.407 62.758 61.300 0.085 0.000 1.385 147 I CB -0.431 37.682 38.000 0.189 0.000 1.064 147 I HN 0.486 nan 8.210 nan 0.000 0.414 148 G N 0.670 109.527 108.800 0.096 0.000 2.155 148 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.135 148 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.135 148 G C -0.105 174.873 174.900 0.131 0.000 1.023 148 G CA -0.437 44.717 45.100 0.089 0.000 0.688 148 G HN 0.076 nan 8.290 nan 0.000 0.499 149 V N 1.610 121.623 119.914 0.165 0.000 2.432 149 V HA 0.379 4.499 4.120 -0.000 0.000 0.271 149 V C -1.184 174.986 176.094 0.127 0.000 1.046 149 V CA -1.343 61.071 62.300 0.189 0.000 0.945 149 V CB 1.153 33.110 31.823 0.224 0.000 0.992 149 V HN 0.191 nan 8.190 nan 0.000 0.471 150 P HA 0.073 nan 4.420 nan 0.000 0.266 150 P C 0.536 177.880 177.300 0.073 0.000 1.193 150 P CA -0.047 63.108 63.100 0.092 0.000 0.770 150 P CB 0.680 32.435 31.700 0.092 0.000 0.836 151 E N 1.375 121.622 120.200 0.079 0.000 2.204 151 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 151 E C 1.617 178.235 176.600 0.029 0.000 0.990 151 E CA 1.194 57.641 56.400 0.079 0.000 0.821 151 E CB -0.316 29.466 29.700 0.136 0.000 0.750 151 E HN 0.584 nan 8.360 nan 0.000 0.477 152 E N 0.585 120.801 120.200 0.028 0.000 2.274 152 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 152 E C 0.376 176.949 176.600 -0.045 0.000 0.996 152 E CA 0.903 57.304 56.400 0.002 0.000 0.840 152 E CB 0.011 29.722 29.700 0.018 0.000 0.772 152 E HN 0.263 nan 8.360 nan 0.000 0.491 153 D N 0.839 121.206 120.400 -0.054 0.000 2.368 153 D HA 0.056 4.696 4.640 -0.000 0.000 0.218 153 D C 1.604 177.760 176.300 -0.241 0.000 1.112 153 D CA -0.079 53.818 54.000 -0.172 0.000 0.834 153 D CB 0.197 40.918 40.800 -0.131 0.000 0.953 153 D HN 0.176 nan 8.370 nan 0.000 0.505 154 R N 1.002 121.413 120.500 -0.149 0.000 2.090 154 R HA -0.069 4.271 4.340 -0.000 0.000 0.228 154 R C 1.749 177.957 176.300 -0.153 0.000 1.110 154 R CA 0.957 56.976 56.100 -0.135 0.000 0.973 154 R CB 0.238 30.444 30.300 -0.157 0.000 0.869 154 R HN 0.027 nan 8.270 nan 0.000 0.440 155 E N -0.191 119.904 120.200 -0.176 0.000 2.152 155 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 155 E C 1.846 178.270 176.600 -0.294 0.000 0.983 155 E CA 0.938 57.238 56.400 -0.168 0.000 0.818 155 E CB 0.199 29.815 29.700 -0.139 0.000 0.758 155 E HN 0.212 nan 8.360 nan 0.000 0.467 156 Q N 0.127 119.650 119.800 -0.462 0.000 2.167 156 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 156 Q C 1.881 177.226 176.000 -1.092 0.000 0.970 156 Q CA 0.880 56.185 55.803 -0.830 0.000 0.855 156 Q CB -0.115 28.019 28.738 -1.007 0.000 0.911 156 Q HN 0.266 nan 8.270 nan 0.000 0.438 157 L N 0.679 121.489 121.223 -0.689 0.000 2.093 157 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 157 L C 2.200 178.887 176.870 -0.305 0.000 1.085 157 L CA 1.881 56.509 54.840 -0.353 0.000 0.755 157 L CB -0.553 41.449 42.059 -0.094 0.000 0.904 157 L HN 0.239 nan 8.230 nan 0.000 0.435 158 K N -0.338 119.934 120.400 -0.214 0.000 2.032 158 K HA -0.236 4.084 4.320 -0.000 0.000 0.209 158 K C 1.850 178.402 176.600 -0.080 0.000 1.048 158 K CA 2.009 58.281 56.287 -0.024 0.000 0.927 158 K CB -0.149 32.449 32.500 0.163 0.000 0.712 158 K HN 0.457 nan 8.250 nan 0.000 0.441 159 E N -0.478 119.612 120.200 -0.183 0.000 2.072 159 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 159 E C 1.956 178.567 176.600 0.018 0.000 0.985 159 E CA 1.129 57.451 56.400 -0.129 0.000 0.801 159 E CB -0.145 29.427 29.700 -0.214 0.000 0.750 159 E HN 0.454 nan 8.360 nan 0.000 0.452 160 W N 0.841 122.103 121.300 -0.064 0.000 2.355 160 W HA -0.061 4.599 4.660 -0.000 0.000 0.309 160 W C 2.545 179.038 176.519 -0.043 0.000 1.206 160 W CA 0.960 58.281 57.345 -0.040 0.000 1.284 160 W CB -1.173 28.274 29.460 -0.022 0.000 1.145 160 W HN 0.110 nan 8.180 nan 0.000 0.502 161 A N 0.516 123.415 122.820 0.131 0.000 1.877 161 A HA -0.032 4.288 4.320 -0.000 0.000 0.216 161 A C 2.240 179.852 177.584 0.048 0.000 1.186 161 A CA 2.868 54.926 52.037 0.034 0.000 0.620 161 A CB -1.189 17.720 19.000 -0.152 0.000 0.822 161 A HN 0.139 nan 8.150 nan 0.000 0.443 162 A N -0.978 121.871 122.820 0.049 0.000 1.969 162 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 162 A C 2.445 180.053 177.584 0.039 0.000 1.169 162 A CA 2.142 54.202 52.037 0.040 0.000 0.635 162 A CB -0.683 18.329 19.000 0.020 0.000 0.810 162 A HN 0.604 nan 8.150 nan 0.000 0.445 163 S N -0.882 114.855 115.700 0.062 0.000 2.406 163 S HA 0.066 4.536 4.470 -0.000 0.000 0.224 163 S C 1.827 176.461 174.600 0.056 0.000 1.030 163 S CA 0.864 59.101 58.200 0.062 0.000 0.958 163 S CB -0.342 62.912 63.200 0.090 0.000 0.811 163 S HN 0.475 nan 8.310 nan 0.000 0.489 164 L N 0.668 121.934 121.223 0.071 0.000 2.240 164 L HA 0.148 4.488 4.340 -0.000 0.000 0.211 164 L C 2.267 179.177 176.870 0.066 0.000 1.106 164 L CA 0.408 55.285 54.840 0.063 0.000 0.793 164 L CB -0.337 41.766 42.059 0.073 0.000 0.927 164 L HN 0.335 nan 8.230 nan 0.000 0.446 165 I N 0.004 120.602 120.570 0.046 0.000 2.361 165 I HA -0.292 3.878 4.170 -0.000 0.000 0.251 165 I C 2.426 178.595 176.117 0.086 0.000 1.133 165 I CA 1.579 62.894 61.300 0.025 0.000 1.413 165 I CB -0.135 37.797 38.000 -0.113 0.000 1.073 165 I HN 0.280 nan 8.210 nan 0.000 0.424 166 Q N -0.693 119.149 119.800 0.069 0.000 2.224 166 Q HA -0.164 4.176 4.340 -0.000 0.000 0.203 166 Q C 2.001 178.048 176.000 0.078 0.000 0.970 166 Q CA 1.864 57.717 55.803 0.083 0.000 0.865 166 Q CB -0.385 28.381 28.738 0.047 0.000 0.922 166 Q HN 0.686 nan 8.270 nan 0.000 0.445 167 T N -1.158 113.429 114.554 0.054 0.000 3.051 167 T HA -0.053 4.297 4.350 -0.000 0.000 0.269 167 T C 1.683 176.407 174.700 0.040 0.000 1.127 167 T CA 0.804 62.911 62.100 0.011 0.000 1.107 167 T CB -0.362 68.495 68.868 -0.019 0.000 0.898 167 T HN 0.488 nan 8.240 nan 0.000 0.517 168 I N -2.056 118.586 120.570 0.120 0.000 4.057 168 I HA 0.474 4.644 4.170 -0.000 0.000 0.334 168 I C 0.218 176.448 176.117 0.188 0.000 1.308 168 I CA -0.691 60.697 61.300 0.147 0.000 1.125 168 I CB -0.037 38.109 38.000 0.244 0.000 1.034 168 I HN -0.066 nan 8.210 nan 0.000 0.401 169 D N 0.334 120.860 120.400 0.210 0.000 2.283 169 D HA 0.205 4.845 4.640 -0.000 0.000 0.248 169 D C 0.803 177.248 176.300 0.242 0.000 1.072 169 D CA -0.394 53.749 54.000 0.238 0.000 0.929 169 D CB 0.846 41.801 40.800 0.258 0.000 1.182 169 D HN 0.017 nan 8.370 nan 0.000 0.433 170 F N 0.479 120.401 119.950 -0.046 0.000 2.250 170 F HA -0.129 4.398 4.527 0.000 0.000 0.301 170 F C 2.576 178.323 175.800 -0.088 0.000 1.077 170 F CA 1.382 59.343 58.000 -0.066 0.000 1.348 170 F CB -1.034 37.939 39.000 -0.044 0.000 1.040 170 F HN 0.469 nan 8.300 nan 0.000 0.509 171 T N -1.229 113.323 114.554 -0.005 0.000 3.148 171 T HA 0.000 4.350 4.350 -0.000 0.000 0.253 171 T C 0.874 175.548 174.700 -0.043 0.000 1.134 171 T CA -0.499 61.512 62.100 -0.148 0.000 1.051 171 T CB -0.680 68.046 68.868 -0.238 0.000 0.959 171 T HN 0.273 nan 8.240 nan 0.000 0.525 172 R N 1.748 122.257 120.500 0.017 0.000 2.679 172 R HA 0.389 4.729 4.340 -0.000 0.000 0.268 172 R C -0.201 176.096 176.300 -0.006 0.000 1.044 172 R CA -0.184 55.922 56.100 0.009 0.000 1.105 172 R CB 0.209 30.518 30.300 0.015 0.000 0.989 172 R HN 0.301 nan 8.270 nan 0.000 0.447 173 S N 1.350 117.038 115.700 -0.019 0.000 2.715 173 S HA 0.338 4.808 4.470 -0.000 0.000 0.307 173 S C 0.756 175.345 174.600 -0.018 0.000 1.119 173 S CA -1.171 57.021 58.200 -0.014 0.000 0.937 173 S CB 2.071 65.264 63.200 -0.012 0.000 1.150 173 S HN 0.748 nan 8.310 nan 0.000 0.521 174 R N 0.538 121.047 120.500 0.015 0.000 2.105 174 R HA -0.081 4.259 4.340 -0.000 0.000 0.239 174 R C 2.187 178.508 176.300 0.035 0.000 1.135 174 R CA 1.740 57.876 56.100 0.059 0.000 0.967 174 R CB -0.374 29.979 30.300 0.088 0.000 0.861 174 R HN 0.697 nan 8.270 nan 0.000 0.442 175 K N 0.280 120.691 120.400 0.018 0.000 2.057 175 K HA -0.082 4.238 4.320 -0.000 0.000 0.206 175 K C 2.048 178.643 176.600 -0.009 0.000 1.050 175 K CA 1.246 57.542 56.287 0.015 0.000 0.935 175 K CB -0.039 32.469 32.500 0.014 0.000 0.715 175 K HN 0.174 nan 8.250 nan 0.000 0.439 176 A N 0.958 123.760 122.820 -0.031 0.000 1.930 176 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 176 A C 2.009 179.531 177.584 -0.104 0.000 1.175 176 A CA 1.131 53.142 52.037 -0.044 0.000 0.627 176 A CB -0.428 18.553 19.000 -0.033 0.000 0.815 176 A HN 0.276 nan 8.150 nan 0.000 0.443 177 L N -0.998 120.098 121.223 -0.211 0.000 2.179 177 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 177 L C 2.672 179.299 176.870 -0.405 0.000 1.096 177 L CA 1.449 55.994 54.840 -0.492 0.000 0.779 177 L CB -0.627 40.828 42.059 -1.008 0.000 0.922 177 L HN 0.326 nan 8.230 nan 0.000 0.443 178 T N -0.928 113.557 114.554 -0.115 0.000 2.737 178 T HA -0.227 4.123 4.350 -0.000 0.000 0.265 178 T C 1.743 176.472 174.700 0.049 0.000 1.038 178 T CA 1.430 63.585 62.100 0.091 0.000 1.144 178 T CB -0.094 68.856 68.868 0.136 0.000 0.866 178 T HN 0.372 nan 8.240 nan 0.000 0.434 179 E N 0.784 120.994 120.200 0.017 0.000 2.077 179 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 179 E C 2.461 179.077 176.600 0.026 0.000 0.989 179 E CA 1.226 57.643 56.400 0.029 0.000 0.800 179 E CB -0.492 29.222 29.700 0.023 0.000 0.746 179 E HN 0.509 nan 8.360 nan 0.000 0.452 180 G N 0.819 109.611 108.800 -0.014 0.000 2.418 180 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.217 180 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.217 180 G C 1.501 176.403 174.900 0.003 0.000 1.158 180 G CA 0.992 46.083 45.100 -0.015 0.000 0.771 180 G HN 0.328 nan 8.290 nan 0.000 0.545 181 N N 0.231 118.941 118.700 0.017 0.000 2.166 181 N HA -0.041 4.699 4.740 -0.000 0.000 0.186 181 N C 2.166 177.709 175.510 0.054 0.000 1.019 181 N CA 1.005 54.096 53.050 0.070 0.000 0.856 181 N CB -0.195 38.390 38.487 0.164 0.000 0.993 181 N HN 0.414 nan 8.380 nan 0.000 0.426 182 I N -0.199 120.405 120.570 0.056 0.000 2.252 182 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 182 I C 1.809 177.952 176.117 0.043 0.000 1.102 182 I CA 0.723 62.057 61.300 0.057 0.000 1.385 182 I CB -0.181 37.862 38.000 0.071 0.000 1.064 182 I HN 0.238 nan 8.210 nan 0.000 0.414 183 M N 0.339 119.966 119.600 0.044 0.000 2.229 183 M HA -0.086 4.394 4.480 -0.000 0.000 0.264 183 M C 2.560 178.730 176.300 -0.217 0.000 1.063 183 M CA 1.515 56.817 55.300 0.003 0.000 1.114 183 M CB -1.369 31.306 32.600 0.125 0.000 1.387 183 M HN 0.278 nan 8.290 nan 0.000 0.420 184 A N 0.118 122.875 122.820 -0.105 0.000 1.898 184 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 184 A C 2.471 179.987 177.584 -0.113 0.000 1.181 184 A CA 1.546 53.519 52.037 -0.106 0.000 0.620 184 A CB -0.916 18.075 19.000 -0.014 0.000 0.819 184 A HN 0.271 nan 8.150 nan 0.000 0.442 185 V N 0.103 119.981 119.914 -0.060 0.000 2.287 185 V HA -0.346 3.774 4.120 -0.000 0.000 0.248 185 V C 2.690 178.735 176.094 -0.081 0.000 1.053 185 V CA 2.373 64.653 62.300 -0.035 0.000 1.027 185 V CB -0.960 30.868 31.823 0.008 0.000 0.646 185 V HN 0.645 nan 8.190 nan 0.000 0.447 186 Q N -0.339 119.385 119.800 -0.127 0.000 2.050 186 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 186 Q C 2.444 178.142 176.000 -0.503 0.000 0.980 186 Q CA 1.785 57.518 55.803 -0.116 0.000 0.840 186 Q CB -0.427 28.407 28.738 0.159 0.000 0.898 186 Q HN 0.670 nan 8.270 nan 0.000 0.424 187 A N 0.627 122.770 122.820 -1.127 0.000 1.902 187 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 187 A C 2.037 179.472 177.584 -0.248 0.000 1.181 187 A CA 1.549 52.813 52.037 -1.289 0.000 0.623 187 A CB -0.442 17.951 19.000 -1.013 0.000 0.818 187 A HN 0.310 nan 8.150 nan 0.000 0.443 188 M N -0.025 119.494 119.600 -0.135 0.000 2.175 188 M HA 0.010 4.490 4.480 -0.000 0.000 0.264 188 M C 2.161 178.502 176.300 0.068 0.000 1.063 188 M CA 1.585 56.906 55.300 0.035 0.000 1.119 188 M CB -0.507 32.109 32.600 0.028 0.000 1.377 188 M HN 0.387 nan 8.290 nan 0.000 0.415 189 A N -1.293 121.543 122.820 0.028 0.000 1.930 189 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 189 A C 2.118 179.754 177.584 0.086 0.000 1.175 189 A CA 1.659 53.731 52.037 0.058 0.000 0.627 189 A CB -1.274 17.763 19.000 0.060 0.000 0.815 189 A HN 0.673 nan 8.150 nan 0.000 0.443 190 Y N -0.819 119.467 120.300 -0.023 0.000 2.163 190 Y HA -0.171 4.379 4.550 -0.000 0.000 0.288 190 Y C 1.862 177.715 175.900 -0.079 0.000 1.136 190 Y CA 1.894 59.978 58.100 -0.027 0.000 1.147 190 Y CB -0.406 38.088 38.460 0.057 0.000 0.987 190 Y HN 0.250 nan 8.280 nan 0.000 0.509 191 F N 0.575 120.536 119.950 0.018 0.000 2.259 191 F HA -0.044 4.482 4.527 -0.000 0.000 0.298 191 F C 2.244 177.994 175.800 -0.082 0.000 1.088 191 F CA 1.319 59.286 58.000 -0.055 0.000 1.358 191 F CB -0.378 38.661 39.000 0.065 0.000 1.040 191 F HN -0.058 nan 8.300 nan 0.000 0.505 192 K N 0.208 120.675 120.400 0.112 0.000 2.057 192 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 192 K C 1.972 178.567 176.600 -0.007 0.000 1.049 192 K CA 1.693 58.012 56.287 0.053 0.000 0.931 192 K CB -0.230 32.301 32.500 0.051 0.000 0.714 192 K HN 0.297 nan 8.250 nan 0.000 0.440 193 E N 0.536 120.698 120.200 -0.064 0.000 2.051 193 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 193 E C 1.953 178.471 176.600 -0.136 0.000 0.991 193 E CA 0.890 57.231 56.400 -0.097 0.000 0.799 193 E CB -0.043 29.583 29.700 -0.123 0.000 0.748 193 E HN 0.075 nan 8.360 nan 0.000 0.449 194 L N 0.958 122.029 121.223 -0.254 0.000 2.131 194 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 194 L C 1.986 178.826 176.870 -0.049 0.000 1.092 194 L CA 1.353 56.065 54.840 -0.214 0.000 0.759 194 L CB -0.184 41.658 42.059 -0.362 0.000 0.903 194 L HN 0.134 nan 8.230 nan 0.000 0.435 195 I N -1.177 119.392 120.570 -0.002 0.000 2.315 195 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 195 I C 2.299 178.423 176.117 0.012 0.000 1.117 195 I CA 0.546 61.864 61.300 0.030 0.000 1.404 195 I CB -0.262 37.767 38.000 0.050 0.000 1.071 195 I HN 0.308 nan 8.210 nan 0.000 0.419 196 Q N 1.345 121.144 119.800 -0.001 0.000 2.084 196 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 196 Q C 2.103 178.105 176.000 0.003 0.000 0.978 196 Q CA 1.596 57.398 55.803 -0.001 0.000 0.844 196 Q CB -0.420 28.316 28.738 -0.004 0.000 0.898 196 Q HN 0.644 nan 8.270 nan 0.000 0.426 197 K N -0.250 120.153 120.400 0.007 0.000 2.167 197 K HA 0.051 4.371 4.320 -0.000 0.000 0.203 197 K C 1.819 178.453 176.600 0.056 0.000 1.052 197 K CA 0.463 56.773 56.287 0.038 0.000 0.956 197 K CB -0.002 32.519 32.500 0.035 0.000 0.735 197 K HN -0.079 nan 8.250 nan 0.000 0.451 198 R N 1.671 122.193 120.500 0.037 0.000 2.193 198 R HA 0.062 4.402 4.340 -0.000 0.000 0.213 198 R C 1.812 178.125 176.300 0.022 0.000 1.055 198 R CA 0.935 57.061 56.100 0.043 0.000 0.995 198 R CB -0.207 30.117 30.300 0.040 0.000 0.893 198 R HN 0.303 nan 8.270 nan 0.000 0.459 199 K N 0.342 120.746 120.400 0.006 0.000 2.057 199 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 199 K C 2.213 178.783 176.600 -0.050 0.000 1.050 199 K CA 1.194 57.472 56.287 -0.014 0.000 0.935 199 K CB -0.015 32.478 32.500 -0.013 0.000 0.715 199 K HN 0.007 nan 8.250 nan 0.000 0.439 200 R N -0.250 120.207 120.500 -0.073 0.000 2.062 200 R HA -0.039 4.301 4.340 -0.000 0.000 0.226 200 R C 0.160 176.239 176.300 -0.368 0.000 1.125 200 R CA 1.020 56.996 56.100 -0.206 0.000 0.966 200 R CB 0.319 30.509 30.300 -0.184 0.000 0.861 200 R HN 0.204 nan 8.270 nan 0.000 0.433 201 H N 1.189 120.260 119.070 0.002 0.000 2.791 201 H HA 0.301 4.857 4.556 -0.000 0.000 0.272 201 H C -2.384 172.946 175.328 0.004 0.000 1.188 201 H CA -2.352 53.697 56.048 0.003 0.000 1.436 201 H CB 1.469 31.232 29.762 0.003 0.000 1.467 201 H HN 0.257 nan 8.280 nan 0.000 0.500 202 P HA 0.008 nan 4.420 nan 0.000 0.268 202 P C 0.118 177.454 177.300 0.060 0.000 1.205 202 P CA -0.005 63.128 63.100 0.055 0.000 0.771 202 P CB 1.594 33.311 31.700 0.029 0.000 0.858 203 Q N 1.280 121.106 119.800 0.044 0.000 2.814 203 Q HA 0.270 4.610 4.340 -0.000 0.000 0.283 203 Q C -0.130 175.882 176.000 0.020 0.000 1.071 203 Q CA -0.861 54.962 55.803 0.033 0.000 0.849 203 Q CB 0.870 29.627 28.738 0.033 0.000 1.437 203 Q HN 0.410 nan 8.270 nan 0.000 0.492 204 Q N 1.726 121.534 119.800 0.013 0.000 3.247 204 Q HA 0.081 4.421 4.340 -0.000 0.000 0.326 204 Q C -1.325 174.676 176.000 0.002 0.000 1.402 204 Q CA 0.069 55.875 55.803 0.005 0.000 0.994 204 Q CB -0.217 28.521 28.738 0.001 0.000 1.647 204 Q HN 0.404 nan 8.270 nan 0.000 0.523 205 D N -1.756 118.648 120.400 0.006 0.000 2.652 205 D HA 0.072 4.712 4.640 -0.000 0.000 0.285 205 D C 0.379 176.680 176.300 0.002 0.000 1.173 205 D CA -0.769 53.234 54.000 0.004 0.000 0.981 205 D CB 0.303 41.114 40.800 0.018 0.000 1.440 205 D HN 0.133 nan 8.370 nan 0.000 0.485 206 M N -0.204 119.395 119.600 -0.002 0.000 2.200 206 M HA 0.064 4.544 4.480 -0.000 0.000 0.265 206 M C 1.544 177.854 176.300 0.015 0.000 1.066 206 M CA 1.156 56.450 55.300 -0.010 0.000 1.127 206 M CB -0.204 32.381 32.600 -0.026 0.000 1.379 206 M HN 0.465 nan 8.290 nan 0.000 0.420 207 I N -0.288 120.308 120.570 0.042 0.000 2.151 207 I HA -0.341 3.829 4.170 -0.000 0.000 0.243 207 I C 2.285 178.422 176.117 0.034 0.000 1.080 207 I CA 1.507 62.839 61.300 0.054 0.000 1.339 207 I CB -0.490 37.567 38.000 0.095 0.000 1.039 207 I HN 0.271 nan 8.210 nan 0.000 0.409 208 S N 0.360 116.078 115.700 0.030 0.000 2.368 208 S HA -0.221 4.248 4.470 -0.000 0.000 0.225 208 S C 1.994 176.600 174.600 0.010 0.000 1.030 208 S CA 1.523 59.735 58.200 0.020 0.000 0.999 208 S CB -0.362 62.850 63.200 0.021 0.000 0.844 208 S HN 0.432 nan 8.310 nan 0.000 0.459 209 M N 0.677 120.279 119.600 0.004 0.000 2.108 209 M HA -0.125 4.355 4.480 -0.000 0.000 0.261 209 M C 1.659 177.958 176.300 -0.002 0.000 1.066 209 M CA 1.440 56.737 55.300 -0.004 0.000 1.107 209 M CB -0.213 32.378 32.600 -0.015 0.000 1.356 209 M HN 0.228 nan 8.290 nan 0.000 0.406 210 L N 0.351 121.576 121.223 0.004 0.000 2.083 210 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 210 L C 2.118 178.990 176.870 0.004 0.000 1.083 210 L CA 1.289 56.131 54.840 0.004 0.000 0.752 210 L CB -0.988 41.075 42.059 0.007 0.000 0.899 210 L HN 0.296 nan 8.230 nan 0.000 0.433 211 L N -1.032 120.196 121.223 0.007 0.000 2.141 211 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 211 L C 1.526 178.396 176.870 0.001 0.000 1.094 211 L CA 1.116 55.959 54.840 0.006 0.000 0.763 211 L CB -0.764 41.301 42.059 0.009 0.000 0.908 211 L HN 0.153 nan 8.230 nan 0.000 0.437 219 L N -1.667 119.554 121.223 -0.003 0.000 2.466 219 L HA 0.722 5.062 4.340 -0.000 0.000 0.258 219 L C -0.167 176.706 176.870 0.005 0.000 0.973 219 L CA -0.815 54.024 54.840 -0.001 0.000 0.826 219 L CB 2.102 44.158 42.059 -0.005 0.000 1.372 219 L HN 0.740 nan 8.230 nan 0.000 0.409 220 T N -2.225 112.334 114.554 0.009 0.000 2.813 220 T HA 0.219 4.569 4.350 -0.000 0.000 0.297 220 T C 0.725 175.435 174.700 0.017 0.000 1.036 220 T CA 0.035 62.144 62.100 0.016 0.000 1.044 220 T CB 1.079 69.963 68.868 0.026 0.000 0.993 220 T HN 0.866 nan 8.240 nan 0.000 0.535 221 E N 0.075 120.289 120.200 0.023 0.000 2.268 221 E HA -0.108 4.242 4.350 -0.000 0.000 0.195 221 E C 2.091 178.711 176.600 0.033 0.000 0.995 221 E CA 0.890 57.306 56.400 0.027 0.000 0.836 221 E CB 0.074 29.792 29.700 0.029 0.000 0.763 221 E HN 0.740 nan 8.360 nan 0.000 0.491 222 E N 0.526 120.750 120.200 0.040 0.000 2.112 222 E HA -0.134 4.216 4.350 -0.000 0.000 0.190 222 E C 1.780 178.381 176.600 0.002 0.000 0.979 222 E CA 0.546 56.973 56.400 0.045 0.000 0.814 222 E CB 0.102 29.860 29.700 0.096 0.000 0.762 222 E HN 0.281 nan 8.360 nan 0.000 0.460 223 E N 0.674 120.871 120.200 -0.005 0.000 2.110 223 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 223 E C 1.995 178.578 176.600 -0.029 0.000 0.988 223 E CA 0.826 57.213 56.400 -0.022 0.000 0.804 223 E CB -0.021 29.673 29.700 -0.011 0.000 0.745 223 E HN 0.168 nan 8.360 nan 0.000 0.458 224 A N 1.257 124.066 122.820 -0.018 0.000 1.930 224 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 224 A C 2.338 179.881 177.584 -0.068 0.000 1.175 224 A CA 1.466 53.487 52.037 -0.027 0.000 0.627 224 A CB -0.460 18.539 19.000 -0.003 0.000 0.815 224 A HN 0.290 nan 8.150 nan 0.000 0.443 225 A N 0.453 123.244 122.820 -0.049 0.000 1.873 225 A HA -0.083 4.237 4.320 -0.000 0.000 0.215 225 A C 2.517 179.984 177.584 -0.196 0.000 1.186 225 A CA 2.292 54.275 52.037 -0.089 0.000 0.616 225 A CB -0.982 18.043 19.000 0.041 0.000 0.823 225 A HN 0.943 nan 8.150 nan 0.000 0.442 226 S N -0.924 114.710 115.700 -0.110 0.000 2.402 226 S HA -0.134 4.336 4.470 -0.000 0.000 0.229 226 S C 1.825 176.358 174.600 -0.112 0.000 1.021 226 S CA 1.805 59.944 58.200 -0.101 0.000 0.974 226 S CB -1.122 62.037 63.200 -0.069 0.000 0.800 226 S HN 0.478 nan 8.310 nan 0.000 0.484 227 T N 1.745 116.236 114.554 -0.105 0.000 2.708 227 T HA -0.102 4.248 4.350 -0.000 0.000 0.266 227 T C 2.040 176.661 174.700 -0.132 0.000 1.037 227 T CA 1.531 63.581 62.100 -0.083 0.000 1.146 227 T CB -0.911 67.929 68.868 -0.047 0.000 0.865 227 T HN 0.558 nan 8.240 nan 0.000 0.435 228 C N 0.844 119.983 119.300 -0.269 0.000 2.429 228 C HA 0.014 4.473 4.460 -0.000 0.000 0.277 228 C C 2.665 177.380 174.990 -0.459 0.000 1.262 228 C CA 0.211 58.961 59.018 -0.446 0.000 1.733 228 C CB -1.276 25.910 27.740 -0.923 0.000 2.010 228 C HN 0.543 nan 8.230 nan 0.000 0.483 229 I N 0.333 120.621 120.570 -0.470 0.000 2.226 229 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 229 I C 2.479 178.573 176.117 -0.039 0.000 1.100 229 I CA 1.157 62.348 61.300 -0.183 0.000 1.374 229 I CB -0.540 37.396 38.000 -0.108 0.000 1.057 229 I HN 0.285 nan 8.210 nan 0.000 0.413 230 L N 0.979 122.173 121.223 -0.049 0.000 1.989 230 L HA -0.209 4.131 4.340 -0.000 0.000 0.211 230 L C 2.290 179.168 176.870 0.013 0.000 1.071 230 L CA 1.977 56.812 54.840 -0.007 0.000 0.749 230 L CB -0.587 41.454 42.059 -0.029 0.000 0.890 230 L HN 0.128 nan 8.230 nan 0.000 0.431 231 L N -0.611 120.620 121.223 0.013 0.000 2.141 231 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 231 L C 2.668 179.605 176.870 0.112 0.000 1.094 231 L CA 1.008 55.884 54.840 0.060 0.000 0.763 231 L CB -0.939 41.196 42.059 0.126 0.000 0.908 231 L HN 0.399 nan 8.230 nan 0.000 0.437 232 A N 0.488 123.386 122.820 0.130 0.000 1.902 232 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 232 A C 2.215 179.959 177.584 0.267 0.000 1.181 232 A CA 1.525 53.708 52.037 0.245 0.000 0.623 232 A CB -0.598 18.571 19.000 0.281 0.000 0.818 232 A HN 0.353 nan 8.150 nan 0.000 0.443 233 I N -0.287 120.367 120.570 0.140 0.000 2.202 233 I HA -0.230 3.940 4.170 -0.000 0.000 0.242 233 I C 2.967 179.143 176.117 0.098 0.000 1.091 233 I CA 1.019 62.379 61.300 0.099 0.000 1.368 233 I CB -0.418 37.622 38.000 0.067 0.000 1.058 233 I HN 0.328 nan 8.210 nan 0.000 0.410 234 A N 1.107 123.974 122.820 0.078 0.000 1.902 234 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 234 A C 2.445 180.063 177.584 0.058 0.000 1.181 234 A CA 1.985 54.056 52.037 0.057 0.000 0.623 234 A CB -1.487 17.531 19.000 0.029 0.000 0.818 234 A HN 0.468 nan 8.150 nan 0.000 0.443 235 G N -1.540 107.303 108.800 0.072 0.000 2.422 235 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.218 235 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.218 235 G C 1.343 176.179 174.900 -0.105 0.000 1.146 235 G CA 1.336 46.439 45.100 0.004 0.000 0.769 235 G HN 0.676 nan 8.290 nan 0.000 0.547 236 H N 0.204 119.214 119.070 -0.099 0.000 2.266 236 H HA 0.115 4.671 4.556 0.000 0.000 0.309 236 H C 2.703 177.972 175.328 -0.099 0.000 1.054 236 H CA 1.239 57.170 56.048 -0.195 0.000 1.328 236 H CB -0.030 29.657 29.762 -0.125 0.000 1.407 236 H HN 0.096 nan 8.280 nan 0.000 0.508 237 E N 0.141 120.405 120.200 0.108 0.000 2.012 237 E HA -0.160 4.190 4.350 -0.000 0.000 0.197 237 E C 2.396 178.998 176.600 0.004 0.000 1.007 237 E CA 2.069 58.487 56.400 0.030 0.000 0.816 237 E CB -0.883 28.745 29.700 -0.120 0.000 0.762 237 E HN 0.653 nan 8.360 nan 0.000 0.451 238 T N -0.975 113.582 114.554 0.004 0.000 2.812 238 T HA -0.066 4.284 4.350 -0.000 0.000 0.264 238 T C 2.076 176.816 174.700 0.067 0.000 1.042 238 T CA 1.756 63.893 62.100 0.062 0.000 1.140 238 T CB -0.718 68.224 68.868 0.124 0.000 0.870 238 T HN 0.021 nan 8.240 nan 0.000 0.445 239 T N 2.050 116.630 114.554 0.042 0.000 2.821 239 T HA -0.012 4.338 4.350 -0.000 0.000 0.267 239 T C 2.165 176.863 174.700 -0.002 0.000 1.046 239 T CA 1.009 63.125 62.100 0.026 0.000 1.139 239 T CB -0.645 68.217 68.868 -0.010 0.000 0.871 239 T HN 0.231 nan 8.240 nan 0.000 0.454 240 V N 2.852 122.757 119.914 -0.015 0.000 2.332 240 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 240 V C 2.396 178.518 176.094 0.046 0.000 1.055 240 V CA 1.573 63.880 62.300 0.012 0.000 1.038 240 V CB -0.652 31.225 31.823 0.090 0.000 0.651 240 V HN 0.475 nan 8.190 nan 0.000 0.450 241 N N 0.090 118.827 118.700 0.062 0.000 2.188 241 N HA -0.120 4.620 4.740 -0.000 0.000 0.184 241 N C 1.683 177.227 175.510 0.057 0.000 1.018 241 N CA 1.192 54.287 53.050 0.075 0.000 0.858 241 N CB -0.536 38.013 38.487 0.104 0.000 0.989 241 N HN 0.402 nan 8.380 nan 0.000 0.426 242 L N 1.462 122.713 121.223 0.047 0.000 2.012 242 L HA -0.040 4.300 4.340 -0.000 0.000 0.210 242 L C 1.951 178.839 176.870 0.029 0.000 1.073 242 L CA 1.355 56.216 54.840 0.034 0.000 0.748 242 L CB -0.667 41.419 42.059 0.046 0.000 0.891 242 L HN 0.064 nan 8.230 nan 0.000 0.431 243 I N -0.598 119.984 120.570 0.020 0.000 2.142 243 I HA -0.314 3.856 4.170 -0.000 0.000 0.240 243 I C 2.590 178.726 176.117 0.032 0.000 1.078 243 I CA 1.597 62.906 61.300 0.015 0.000 1.343 243 I CB -0.646 37.329 38.000 -0.042 0.000 1.046 243 I HN 0.468 nan 8.210 nan 0.000 0.405 244 S N 0.847 116.565 115.700 0.031 0.000 2.368 244 S HA -0.138 4.332 4.470 -0.000 0.000 0.224 244 S C 1.838 176.431 174.600 -0.013 0.000 1.029 244 S CA 1.171 59.385 58.200 0.023 0.000 0.988 244 S CB -0.615 62.602 63.200 0.028 0.000 0.838 244 S HN 0.362 nan 8.310 nan 0.000 0.462 245 N N 2.116 120.818 118.700 0.003 0.000 2.120 245 N HA 0.008 4.748 4.740 -0.000 0.000 0.188 245 N C 1.931 177.420 175.510 -0.035 0.000 1.024 245 N CA 1.517 54.563 53.050 -0.007 0.000 0.852 245 N CB -0.826 37.684 38.487 0.038 0.000 1.003 245 N HN 0.482 nan 8.380 nan 0.000 0.424 246 S N 0.050 115.746 115.700 -0.007 0.000 2.368 246 S HA -0.048 4.422 4.470 -0.000 0.000 0.225 246 S C 2.208 176.796 174.600 -0.020 0.000 1.030 246 S CA 0.771 58.973 58.200 0.002 0.000 0.999 246 S CB -0.255 62.970 63.200 0.041 0.000 0.844 246 S HN 0.092 nan 8.310 nan 0.000 0.459 247 V N 1.910 121.817 119.914 -0.011 0.000 2.343 247 V HA -0.137 3.983 4.120 -0.000 0.000 0.247 247 V C 2.257 178.299 176.094 -0.086 0.000 1.051 247 V CA 1.550 63.840 62.300 -0.018 0.000 1.036 247 V CB -0.692 31.143 31.823 0.019 0.000 0.654 247 V HN 0.362 nan 8.190 nan 0.000 0.451 248 L N -0.215 120.920 121.223 -0.147 0.000 2.017 248 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 248 L C 2.446 179.157 176.870 -0.266 0.000 1.073 248 L CA 2.087 56.760 54.840 -0.279 0.000 0.745 248 L CB -0.924 40.905 42.059 -0.384 0.000 0.894 248 L HN 0.340 nan 8.230 nan 0.000 0.432 249 C N -0.552 118.607 119.300 -0.235 0.000 2.393 249 C HA -0.214 4.246 4.460 -0.000 0.000 0.276 249 C C 2.772 177.587 174.990 -0.292 0.000 1.215 249 C CA 1.358 60.160 59.018 -0.360 0.000 1.743 249 C CB -1.122 26.283 27.740 -0.560 0.000 2.044 249 C HN 0.610 nan 8.230 nan 0.000 0.464 250 L N -0.183 120.946 121.223 -0.155 0.000 2.093 250 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 250 L C 2.418 179.298 176.870 0.016 0.000 1.085 250 L CA 1.230 56.075 54.840 0.009 0.000 0.755 250 L CB -0.480 41.613 42.059 0.056 0.000 0.904 250 L HN 0.390 nan 8.230 nan 0.000 0.435 251 L N -0.346 120.849 121.223 -0.046 0.000 2.156 251 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 251 L C 2.619 179.450 176.870 -0.065 0.000 1.095 251 L CA 0.882 55.696 54.840 -0.044 0.000 0.770 251 L CB -0.364 41.658 42.059 -0.063 0.000 0.914 251 L HN 0.447 nan 8.230 nan 0.000 0.439 252 Q N -0.790 118.928 119.800 -0.136 0.000 2.451 252 Q HA -0.078 4.262 4.340 -0.000 0.000 0.206 252 Q C -0.250 175.506 176.000 -0.406 0.000 0.947 252 Q CA 0.670 56.340 55.803 -0.223 0.000 0.937 252 Q CB -0.061 28.516 28.738 -0.269 0.000 1.025 252 Q HN 0.498 nan 8.270 nan 0.000 0.511 253 H N 1.276 120.304 119.070 -0.071 0.000 2.423 253 H HA 0.223 4.779 4.556 -0.000 0.000 0.237 253 H C -1.996 173.352 175.328 0.032 0.000 1.391 253 H CA -1.983 54.066 56.048 0.002 0.000 1.453 253 H CB 1.273 31.072 29.762 0.061 0.000 1.484 253 H HN 0.108 nan 8.280 nan 0.000 0.505 254 P HA -0.188 nan 4.420 nan 0.000 0.225 254 P C 1.189 178.532 177.300 0.073 0.000 1.148 254 P CA 0.974 64.112 63.100 0.065 0.000 0.779 254 P CB 0.666 32.388 31.700 0.037 0.000 0.780 255 E N 1.043 121.296 120.200 0.090 0.000 2.028 255 E HA -0.189 4.161 4.350 -0.000 0.000 0.190 255 E C 1.807 178.445 176.600 0.064 0.000 0.984 255 E CA 1.077 57.517 56.400 0.068 0.000 0.800 255 E CB -1.061 28.679 29.700 0.066 0.000 0.758 255 E HN 0.262 nan 8.360 nan 0.000 0.448 256 Q N 0.955 120.812 119.800 0.096 0.000 2.096 256 Q HA -0.088 4.252 4.340 -0.000 0.000 0.204 256 Q C 2.577 178.623 176.000 0.076 0.000 0.982 256 Q CA 1.100 56.945 55.803 0.070 0.000 0.850 256 Q CB -0.629 28.177 28.738 0.113 0.000 0.901 256 Q HN 0.340 nan 8.270 nan 0.000 0.422 257 L N 0.573 121.857 121.223 0.102 0.000 2.012 257 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 257 L C 2.396 179.294 176.870 0.046 0.000 1.073 257 L CA 1.006 55.891 54.840 0.076 0.000 0.748 257 L CB -0.275 41.825 42.059 0.069 0.000 0.891 257 L HN 0.195 nan 8.230 nan 0.000 0.431 258 L N -0.407 120.840 121.223 0.040 0.000 2.093 258 L HA -0.251 4.089 4.340 -0.000 0.000 0.208 258 L C 2.640 179.521 176.870 0.020 0.000 1.085 258 L CA 1.481 56.337 54.840 0.027 0.000 0.755 258 L CB -0.291 41.783 42.059 0.025 0.000 0.904 258 L HN 0.306 nan 8.230 nan 0.000 0.435 259 K N -0.344 120.067 120.400 0.018 0.000 2.063 259 K HA -0.252 4.068 4.320 -0.000 0.000 0.208 259 K C 2.104 178.707 176.600 0.005 0.000 1.048 259 K CA 1.706 57.997 56.287 0.006 0.000 0.928 259 K CB -0.146 32.351 32.500 -0.005 0.000 0.713 259 K HN 0.233 nan 8.250 nan 0.000 0.442 260 L N 1.545 122.775 121.223 0.012 0.000 2.056 260 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 260 L C 2.354 179.233 176.870 0.015 0.000 1.078 260 L CA 1.594 56.442 54.840 0.014 0.000 0.749 260 L CB -0.530 41.545 42.059 0.026 0.000 0.901 260 L HN 0.115 nan 8.230 nan 0.000 0.433 261 R N -0.464 120.046 120.500 0.016 0.000 2.081 261 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 261 R C 2.121 178.427 176.300 0.010 0.000 1.131 261 R CA 1.810 57.918 56.100 0.013 0.000 0.960 261 R CB -0.133 30.175 30.300 0.013 0.000 0.856 261 R HN 0.519 nan 8.270 nan 0.000 0.436 262 E N -0.047 120.159 120.200 0.010 0.000 2.274 262 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 262 E C -0.316 176.287 176.600 0.006 0.000 0.996 262 E CA 0.904 57.309 56.400 0.008 0.000 0.840 262 E CB 0.016 29.720 29.700 0.007 0.000 0.772 262 E HN 0.530 nan 8.360 nan 0.000 0.491 263 N N -1.031 117.672 118.700 0.006 0.000 2.581 263 N HA 0.157 4.897 4.740 -0.000 0.000 0.279 263 N C -2.675 172.839 175.510 0.008 0.000 1.124 263 N CA -1.391 51.663 53.050 0.006 0.000 0.833 263 N CB 1.889 40.378 38.487 0.003 0.000 1.338 263 N HN -0.311 nan 8.380 nan 0.000 0.533 264 P HA -0.042 nan 4.420 nan 0.000 0.230 264 P C 0.118 177.428 177.300 0.016 0.000 1.158 264 P CA 0.660 63.769 63.100 0.015 0.000 0.769 264 P CB 0.254 31.964 31.700 0.017 0.000 0.807 265 D N -1.021 119.386 120.400 0.012 0.000 2.371 265 D HA 0.010 4.650 4.640 -0.000 0.000 0.221 265 D C 1.521 177.827 176.300 0.010 0.000 0.986 265 D CA 0.563 54.570 54.000 0.012 0.000 0.899 265 D CB -0.244 40.562 40.800 0.010 0.000 0.902 265 D HN 0.237 nan 8.370 nan 0.000 0.530 266 L N 0.313 121.539 121.223 0.005 0.000 2.599 266 L HA 0.017 4.357 4.340 -0.000 0.000 0.230 266 L C 1.919 178.792 176.870 0.004 0.000 1.141 266 L CA -0.194 54.645 54.840 -0.002 0.000 0.877 266 L CB 0.097 42.148 42.059 -0.013 0.000 1.009 266 L HN -0.034 nan 8.230 nan 0.000 0.447 267 I N 0.285 120.865 120.570 0.016 0.000 2.361 267 I HA -0.149 4.021 4.170 -0.000 0.000 0.251 267 I C 2.221 178.359 176.117 0.035 0.000 1.133 267 I CA 1.394 62.711 61.300 0.028 0.000 1.413 267 I CB -0.431 37.590 38.000 0.034 0.000 1.073 267 I HN 0.124 nan 8.210 nan 0.000 0.424 268 G N -1.382 107.438 108.800 0.034 0.000 2.433 268 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.216 268 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.216 268 G C 1.678 176.606 174.900 0.046 0.000 1.186 268 G CA 1.209 46.337 45.100 0.047 0.000 0.779 268 G HN 0.392 nan 8.290 nan 0.000 0.543 269 T N 0.548 115.115 114.554 0.022 0.000 2.995 269 T HA 0.229 4.579 4.350 -0.000 0.000 0.269 269 T C 2.560 177.244 174.700 -0.028 0.000 1.091 269 T CA 1.694 63.797 62.100 0.005 0.000 1.128 269 T CB -0.341 68.518 68.868 -0.015 0.000 0.891 269 T HN 0.288 nan 8.240 nan 0.000 0.492 270 A N 0.373 123.177 122.820 -0.026 0.000 1.897 270 A HA 0.092 4.412 4.320 -0.000 0.000 0.215 270 A C 2.472 180.065 177.584 0.014 0.000 1.181 270 A CA 1.330 53.342 52.037 -0.041 0.000 0.620 270 A CB -0.807 18.189 19.000 -0.007 0.000 0.821 270 A HN 0.419 nan 8.150 nan 0.000 0.443 271 V N 0.410 120.351 119.914 0.045 0.000 2.427 271 V HA -0.181 3.939 4.120 -0.000 0.000 0.248 271 V C 2.522 178.649 176.094 0.055 0.000 1.051 271 V CA 2.002 64.341 62.300 0.066 0.000 1.048 271 V CB -0.649 31.225 31.823 0.087 0.000 0.666 271 V HN 0.487 nan 8.190 nan 0.000 0.456 272 E N 0.088 120.332 120.200 0.074 0.000 2.077 272 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 272 E C 2.197 178.788 176.600 -0.014 0.000 0.989 272 E CA 1.454 57.920 56.400 0.109 0.000 0.800 272 E CB -0.196 29.618 29.700 0.189 0.000 0.746 272 E HN 0.686 nan 8.360 nan 0.000 0.452 273 E N 0.239 120.414 120.200 -0.042 0.000 2.152 273 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 273 E C 1.981 178.606 176.600 0.041 0.000 0.983 273 E CA 0.867 57.202 56.400 -0.108 0.000 0.818 273 E CB -0.267 29.233 29.700 -0.334 0.000 0.758 273 E HN 0.155 nan 8.360 nan 0.000 0.467 274 C N -0.015 119.356 119.300 0.118 0.000 2.440 274 C HA -0.005 4.455 4.460 -0.000 0.000 0.278 274 C C 2.556 177.546 174.990 -0.001 0.000 1.295 274 C CA 0.437 59.558 59.018 0.171 0.000 1.738 274 C CB -1.044 26.774 27.740 0.131 0.000 1.987 274 C HN 0.452 nan 8.230 nan 0.000 0.492 275 L N 0.350 121.478 121.223 -0.157 0.000 2.046 275 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 275 L C 2.921 179.526 176.870 -0.441 0.000 1.077 275 L CA 1.496 56.101 54.840 -0.393 0.000 0.747 275 L CB -0.595 41.043 42.059 -0.702 0.000 0.896 275 L HN 0.339 nan 8.230 nan 0.000 0.432 276 R N -1.209 119.051 120.500 -0.399 0.000 2.075 276 R HA -0.215 4.124 4.340 -0.000 0.000 0.232 276 R C 2.385 178.596 176.300 -0.149 0.000 1.126 276 R CA 1.649 57.581 56.100 -0.280 0.000 0.963 276 R CB -0.281 29.845 30.300 -0.290 0.000 0.858 276 R HN 0.253 nan 8.270 nan 0.000 0.435 277 Y N 0.617 120.808 120.300 -0.183 0.000 2.269 277 Y HA 0.062 4.612 4.550 0.000 0.000 0.294 277 Y C 0.272 176.078 175.900 -0.158 0.000 1.120 277 Y CA 0.940 58.943 58.100 -0.162 0.000 1.159 277 Y CB 0.739 39.207 38.460 0.014 0.000 1.024 277 Y HN -0.047 nan 8.280 nan 0.000 0.532 278 E N 0.779 120.978 120.200 -0.002 0.000 3.374 278 E HA 0.216 4.566 4.350 -0.000 0.000 0.223 278 E C -0.844 175.758 176.600 0.003 0.000 1.210 278 E CA -0.149 56.257 56.400 0.009 0.000 0.987 278 E CB 0.787 30.514 29.700 0.046 0.000 1.322 278 E HN 0.072 nan 8.360 nan 0.000 0.404 279 S N 2.493 118.181 115.700 -0.019 0.000 2.498 279 S HA 0.075 4.545 4.470 -0.000 0.000 0.281 279 S C -1.493 173.104 174.600 -0.005 0.000 1.265 279 S CA -0.880 57.281 58.200 -0.065 0.000 1.071 279 S CB 0.737 63.888 63.200 -0.081 0.000 0.894 279 S HN 0.198 nan 8.310 nan 0.000 0.491 280 P HA -0.056 nan 4.420 nan 0.000 0.215 280 P C 0.209 177.624 177.300 0.192 0.000 1.153 280 P CA 1.063 64.223 63.100 0.102 0.000 0.853 280 P CB -0.032 31.718 31.700 0.082 0.000 0.788 281 T N 1.010 115.624 114.554 0.100 0.000 2.749 281 T HA 0.183 4.533 4.350 -0.000 0.000 0.287 281 T C 0.892 175.534 174.700 -0.097 0.000 0.970 281 T CA -0.394 61.714 62.100 0.015 0.000 0.980 281 T CB 1.132 70.016 68.868 0.027 0.000 0.924 281 T HN -0.013 nan 8.240 nan 0.000 0.456 282 Q N 1.937 121.630 119.800 -0.177 0.000 2.391 282 Q HA 0.271 4.611 4.340 -0.000 0.000 0.211 282 Q C 0.299 176.190 176.000 -0.181 0.000 0.908 282 Q CA 0.522 56.241 55.803 -0.141 0.000 0.920 282 Q CB 0.591 29.277 28.738 -0.087 0.000 1.056 282 Q HN 0.646 nan 8.270 nan 0.000 0.523 283 M N -0.120 119.332 119.600 -0.247 0.000 2.378 283 M HA 0.376 4.856 4.480 -0.000 0.000 0.289 283 M C -1.347 174.853 176.300 -0.167 0.000 1.136 283 M CA -0.082 55.100 55.300 -0.197 0.000 0.917 283 M CB 2.587 35.045 32.600 -0.237 0.000 1.669 283 M HN -0.120 nan 8.290 nan 0.000 0.461 284 T N 2.264 116.773 114.554 -0.076 0.000 2.858 284 T HA 0.986 5.336 4.350 -0.000 0.000 0.285 284 T C -1.747 172.967 174.700 0.024 0.000 1.052 284 T CA -0.306 61.781 62.100 -0.022 0.000 1.009 284 T CB 1.885 70.739 68.868 -0.024 0.000 1.241 284 T HN 0.905 nan 8.240 nan 0.000 0.542 285 A N 1.685 124.521 122.820 0.027 0.000 2.539 285 A HA 0.915 5.235 4.320 -0.000 0.000 0.296 285 A C -1.172 176.371 177.584 -0.068 0.000 1.073 285 A CA -0.787 51.232 52.037 -0.030 0.000 0.700 285 A CB 1.542 20.578 19.000 0.061 0.000 1.296 285 A HN 0.650 nan 8.150 nan 0.000 0.405 286 R N -0.067 120.356 120.500 -0.128 0.000 2.808 286 R HA 0.698 5.038 4.340 -0.000 0.000 0.272 286 R C -1.581 174.710 176.300 -0.015 0.000 0.995 286 R CA -0.720 55.361 56.100 -0.031 0.000 0.917 286 R CB 1.825 32.146 30.300 0.034 0.000 1.217 286 R HN 0.690 nan 8.270 nan 0.000 0.471 287 V N 0.781 120.728 119.914 0.054 0.000 2.555 287 V HA 0.667 4.787 4.120 -0.000 0.000 0.302 287 V C -0.488 175.657 176.094 0.085 0.000 1.038 287 V CA -0.714 61.621 62.300 0.059 0.000 0.887 287 V CB 1.750 33.587 31.823 0.025 0.000 0.991 287 V HN 0.885 nan 8.190 nan 0.000 0.434 288 A N 4.246 127.101 122.820 0.058 0.000 2.404 288 A HA 0.453 4.773 4.320 -0.000 0.000 0.273 288 A C 1.155 178.675 177.584 -0.106 0.000 1.144 288 A CA 0.428 52.393 52.037 -0.120 0.000 0.806 288 A CB 0.413 19.333 19.000 -0.133 0.000 1.080 288 A HN 1.486 nan 8.150 nan 0.000 0.509 289 S N 1.322 116.935 115.700 -0.145 0.000 2.562 289 S HA 0.143 4.613 4.470 -0.000 0.000 0.221 289 S C 0.420 174.963 174.600 -0.095 0.000 0.975 289 S CA 0.516 58.663 58.200 -0.088 0.000 0.918 289 S CB -0.414 62.744 63.200 -0.070 0.000 0.772 289 S HN 0.921 nan 8.310 nan 0.000 0.531 290 E N -0.365 119.749 120.200 -0.143 0.000 2.449 290 E HA 0.406 4.756 4.350 -0.000 0.000 0.278 290 E C -2.216 174.301 176.600 -0.140 0.000 1.059 290 E CA -1.148 55.183 56.400 -0.116 0.000 0.854 290 E CB -0.159 29.477 29.700 -0.107 0.000 1.465 290 E HN -0.097 nan 8.360 nan 0.000 0.462 291 D N 0.581 120.922 120.400 -0.098 0.000 2.401 291 D HA 0.325 4.965 4.640 -0.000 0.000 0.254 291 D C -0.710 175.515 176.300 -0.126 0.000 1.192 291 D CA 0.504 54.450 54.000 -0.091 0.000 0.885 291 D CB 0.412 41.182 40.800 -0.051 0.000 1.147 291 D HN 0.288 nan 8.370 nan 0.000 0.478 292 I N 2.057 122.536 120.570 -0.152 0.000 2.466 292 I HA 0.215 4.385 4.170 -0.000 0.000 0.289 292 I C -0.615 175.445 176.117 -0.096 0.000 1.026 292 I CA -0.933 60.272 61.300 -0.158 0.000 1.078 292 I CB 1.968 39.781 38.000 -0.310 0.000 1.249 292 I HN 0.091 nan 8.210 nan 0.000 0.429 293 D N 7.675 128.038 120.400 -0.062 0.000 2.274 293 D HA 0.663 5.303 4.640 -0.000 0.000 0.239 293 D C -0.651 175.638 176.300 -0.018 0.000 1.104 293 D CA 0.053 54.025 54.000 -0.047 0.000 0.840 293 D CB 1.151 41.931 40.800 -0.033 0.000 1.100 293 D HN 0.398 nan 8.370 nan 0.000 0.477 294 I N -1.395 119.159 120.570 -0.028 0.000 2.775 294 I HA 0.342 4.512 4.170 -0.000 0.000 0.295 294 I C -0.042 176.076 176.117 0.001 0.000 1.287 294 I CA -1.309 59.991 61.300 0.000 0.000 1.029 294 I CB 1.969 39.987 38.000 0.029 0.000 1.282 294 I HN 0.513 nan 8.210 nan 0.000 0.426 295 C N 5.044 124.360 119.300 0.027 0.000 4.268 295 C HA -0.117 4.343 4.460 -0.000 0.000 0.299 295 C C 1.674 176.740 174.990 0.128 0.000 1.429 295 C CA 1.315 60.372 59.018 0.064 0.000 2.018 295 C CB -2.399 25.383 27.740 0.069 0.000 1.277 295 C HN 2.333 nan 8.230 nan 0.000 0.767 296 G N -1.024 107.818 108.800 0.070 0.000 2.143 296 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.248 296 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.248 296 G C 0.242 175.155 174.900 0.022 0.000 0.991 296 G CA 0.613 45.754 45.100 0.068 0.000 0.689 296 G HN 2.348 nan 8.290 nan 0.000 0.522 297 V N -3.883 116.011 119.914 -0.033 0.000 3.102 297 V HA 0.961 5.081 4.120 -0.000 0.000 0.312 297 V C -0.013 175.974 176.094 -0.178 0.000 1.135 297 V CA -0.495 61.726 62.300 -0.132 0.000 1.022 297 V CB 2.071 33.731 31.823 -0.271 0.000 1.056 297 V HN 0.398 nan 8.190 nan 0.000 0.436 298 T N 3.185 117.631 114.554 -0.179 0.000 2.791 298 T HA 0.646 4.996 4.350 -0.000 0.000 0.288 298 T C -0.302 174.266 174.700 -0.220 0.000 0.999 298 T CA 0.025 62.035 62.100 -0.150 0.000 0.952 298 T CB 0.709 69.549 68.868 -0.045 0.000 0.938 298 T HN 0.604 nan 8.240 nan 0.000 0.444 299 I N 4.037 124.437 120.570 -0.283 0.000 2.304 299 I HA 0.337 4.507 4.170 -0.000 0.000 0.291 299 I C 0.833 176.924 176.117 -0.043 0.000 1.018 299 I CA -0.690 60.468 61.300 -0.237 0.000 1.260 299 I CB 0.799 38.597 38.000 -0.335 0.000 1.390 299 I HN 0.335 nan 8.210 nan 0.000 0.475 300 R N 4.522 125.070 120.500 0.081 0.000 2.560 300 R HA 0.230 4.570 4.340 -0.000 0.000 0.270 300 R C -0.005 176.316 176.300 0.036 0.000 1.074 300 R CA -0.773 55.358 56.100 0.051 0.000 1.140 300 R CB 0.695 31.046 30.300 0.085 0.000 1.073 300 R HN 0.563 nan 8.270 nan 0.000 0.527 301 Q N 0.368 120.168 119.800 -0.000 0.000 2.283 301 Q HA -0.012 4.328 4.340 -0.000 0.000 0.301 301 Q C 0.621 176.634 176.000 0.022 0.000 1.063 301 Q CA 1.498 57.294 55.803 -0.011 0.000 0.952 301 Q CB 0.294 29.021 28.738 -0.020 0.000 1.166 301 Q HN 0.875 nan 8.270 nan 0.000 0.381 302 G N 3.056 111.870 108.800 0.023 0.000 2.234 302 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.235 302 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.235 302 G C -0.254 174.687 174.900 0.067 0.000 0.997 302 G CA 0.150 45.273 45.100 0.039 0.000 0.623 302 G HN 0.651 nan 8.290 nan 0.000 0.514 303 E N 1.171 121.434 120.200 0.104 0.000 2.383 303 E HA 0.374 4.724 4.350 -0.000 0.000 0.264 303 E C 0.057 176.743 176.600 0.144 0.000 1.050 303 E CA -0.193 56.306 56.400 0.165 0.000 0.896 303 E CB 0.479 30.362 29.700 0.306 0.000 0.982 303 E HN 0.262 nan 8.360 nan 0.000 0.424 304 Q N 1.319 121.178 119.800 0.099 0.000 2.243 304 Q HA 0.338 4.678 4.340 -0.000 0.000 0.252 304 Q C -0.684 175.205 176.000 -0.185 0.000 0.909 304 Q CA -0.451 55.291 55.803 -0.101 0.000 0.922 304 Q CB 1.822 30.468 28.738 -0.155 0.000 1.215 304 Q HN 0.238 nan 8.270 nan 0.000 0.427 305 V N 3.519 123.216 119.914 -0.362 0.000 2.444 305 V HA 0.344 4.464 4.120 -0.000 0.000 0.294 305 V C -1.149 174.626 176.094 -0.533 0.000 1.022 305 V CA -0.762 61.378 62.300 -0.267 0.000 0.850 305 V CB 0.857 32.619 31.823 -0.101 0.000 0.992 305 V HN 0.608 nan 8.190 nan 0.000 0.426 306 Y N 5.032 125.251 120.300 -0.134 0.000 2.334 306 Y HA 0.603 5.153 4.550 -0.000 0.000 0.336 306 Y C -0.039 175.807 175.900 -0.090 0.000 0.960 306 Y CA -0.689 57.311 58.100 -0.166 0.000 1.164 306 Y CB 1.480 39.726 38.460 -0.357 0.000 1.155 306 Y HN 0.463 nan 8.280 nan 0.000 0.478 307 L N 5.541 126.781 121.223 0.028 0.000 2.255 307 L HA 0.363 4.703 4.340 -0.000 0.000 0.289 307 L C -0.565 176.277 176.870 -0.047 0.000 1.046 307 L CA -0.315 54.508 54.840 -0.029 0.000 0.816 307 L CB 0.552 42.562 42.059 -0.083 0.000 1.197 307 L HN 0.539 nan 8.230 nan 0.000 0.427 308 L N 5.243 126.424 121.223 -0.071 0.000 2.328 308 L HA 0.213 4.553 4.340 -0.000 0.000 0.280 308 L C 1.171 177.911 176.870 -0.216 0.000 1.111 308 L CA -0.216 54.509 54.840 -0.192 0.000 0.909 308 L CB 0.492 42.355 42.059 -0.327 0.000 1.277 308 L HN 0.725 nan 8.230 nan 0.000 0.433 309 L N 2.049 123.177 121.223 -0.159 0.000 2.093 309 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 309 L C 2.506 179.322 176.870 -0.089 0.000 1.085 309 L CA 1.399 56.177 54.840 -0.104 0.000 0.755 309 L CB -0.500 41.514 42.059 -0.075 0.000 0.904 309 L HN 0.796 nan 8.230 nan 0.000 0.435 310 G N -0.252 108.475 108.800 -0.122 0.000 2.422 310 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.218 310 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.218 310 G C 1.777 176.663 174.900 -0.024 0.000 1.146 310 G CA 0.819 45.905 45.100 -0.023 0.000 0.769 310 G HN 0.458 nan 8.290 nan 0.000 0.547 311 A N 1.170 123.811 122.820 -0.299 0.000 1.898 311 A HA 0.359 4.679 4.320 -0.000 0.000 0.216 311 A C 2.810 180.385 177.584 -0.016 0.000 1.181 311 A CA 2.026 53.931 52.037 -0.220 0.000 0.620 311 A CB -0.776 17.901 19.000 -0.539 0.000 0.819 311 A HN 0.744 nan 8.150 nan 0.000 0.442 312 A N 0.330 123.144 122.820 -0.011 0.000 1.972 312 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 312 A C 1.736 179.507 177.584 0.311 0.000 1.169 312 A CA 1.737 53.853 52.037 0.131 0.000 0.635 312 A CB -0.612 18.413 19.000 0.042 0.000 0.810 312 A HN 0.517 nan 8.150 nan 0.000 0.446 313 N N -0.334 118.474 118.700 0.180 0.000 2.550 313 N HA -0.044 4.696 4.740 -0.000 0.000 0.186 313 N C 0.887 176.363 175.510 -0.057 0.000 1.110 313 N CA 0.535 53.636 53.050 0.084 0.000 0.912 313 N CB -0.065 38.380 38.487 -0.069 0.000 0.968 313 N HN 0.356 nan 8.380 nan 0.000 0.448 314 R N 0.324 120.866 120.500 0.070 0.000 2.546 314 R HA 0.122 4.462 4.340 -0.000 0.000 0.320 314 R C -0.411 175.982 176.300 0.154 0.000 1.021 314 R CA -0.269 55.866 56.100 0.057 0.000 1.088 314 R CB -0.015 30.294 30.300 0.016 0.000 1.278 314 R HN 0.064 nan 8.270 nan 0.000 0.557 315 D N 2.911 123.460 120.400 0.248 0.000 2.346 315 D HA 0.045 4.685 4.640 -0.000 0.000 0.260 315 D C -1.343 175.036 176.300 0.132 0.000 1.252 315 D CA -1.943 52.163 54.000 0.176 0.000 0.895 315 D CB 1.525 42.436 40.800 0.185 0.000 1.097 315 D HN -0.005 nan 8.370 nan 0.000 0.489 316 P HA -0.094 nan 4.420 nan 0.000 0.234 316 P C 0.898 178.191 177.300 -0.012 0.000 1.167 316 P CA 0.514 63.644 63.100 0.049 0.000 0.763 316 P CB 0.135 31.859 31.700 0.040 0.000 0.835 317 S N -1.941 113.733 115.700 -0.044 0.000 2.558 317 S HA 0.072 4.542 4.470 -0.000 0.000 0.217 317 S C 1.598 176.075 174.600 -0.206 0.000 0.975 317 S CA 0.117 58.261 58.200 -0.092 0.000 0.912 317 S CB -0.557 62.604 63.200 -0.065 0.000 0.776 317 S HN -0.058 nan 8.310 nan 0.000 0.526 318 I N -0.692 119.682 120.570 -0.328 0.000 3.812 318 I HA 0.392 4.562 4.170 -0.000 0.000 0.292 318 I C -0.529 175.131 176.117 -0.761 0.000 1.206 318 I CA 0.208 61.084 61.300 -0.706 0.000 1.370 318 I CB -0.643 36.582 38.000 -1.291 0.000 1.328 318 I HN 0.196 nan 8.210 nan 0.000 0.453 319 F N 2.408 122.264 119.950 -0.157 0.000 2.375 319 F HA 0.367 4.894 4.527 -0.000 0.000 0.361 319 F C 0.659 176.422 175.800 -0.061 0.000 1.117 319 F CA -0.815 57.126 58.000 -0.098 0.000 1.037 319 F CB 0.830 39.789 39.000 -0.069 0.000 1.192 319 F HN -0.244 nan 8.300 nan 0.000 0.452 320 T N 3.924 118.524 114.554 0.076 0.000 2.928 320 T HA 0.022 4.372 4.350 -0.000 0.000 0.305 320 T C 0.302 175.039 174.700 0.062 0.000 1.035 320 T CA -0.334 61.791 62.100 0.043 0.000 1.145 320 T CB -0.031 68.843 68.868 0.009 0.000 0.963 320 T HN 0.608 nan 8.240 nan 0.000 0.545 321 N N 2.230 120.960 118.700 0.050 0.000 2.667 321 N HA -0.122 4.618 4.740 -0.000 0.000 0.263 321 N C -1.915 173.638 175.510 0.071 0.000 1.038 321 N CA 0.170 53.250 53.050 0.051 0.000 0.749 321 N CB -0.465 38.041 38.487 0.033 0.000 0.892 321 N HN 0.528 nan 8.380 nan 0.000 0.546 322 P HA -0.077 nan 4.420 nan 0.000 0.223 322 P C 0.450 177.804 177.300 0.090 0.000 1.151 322 P CA 1.054 64.210 63.100 0.093 0.000 0.787 322 P CB 0.333 32.094 31.700 0.102 0.000 0.788 323 D N -0.497 119.964 120.400 0.103 0.000 2.328 323 D HA 0.069 4.709 4.640 -0.000 0.000 0.221 323 D C 0.327 176.811 176.300 0.306 0.000 1.072 323 D CA 0.160 54.258 54.000 0.163 0.000 0.850 323 D CB 0.362 41.206 40.800 0.073 0.000 0.922 323 D HN 0.064 nan 8.370 nan 0.000 0.516 324 V N 1.813 121.828 119.914 0.168 0.000 2.407 324 V HA 0.154 4.274 4.120 -0.000 0.000 0.278 324 V C -0.142 175.848 176.094 -0.174 0.000 1.037 324 V CA -0.889 61.435 62.300 0.039 0.000 0.900 324 V CB 1.166 32.994 31.823 0.007 0.000 0.983 324 V HN -0.038 nan 8.190 nan 0.000 0.459 325 F N 5.099 124.649 119.950 -0.666 0.000 2.434 325 F HA 0.463 4.990 4.527 -0.000 0.000 0.358 325 F C 0.005 175.479 175.800 -0.542 0.000 1.136 325 F CA -0.528 56.863 58.000 -1.015 0.000 1.157 325 F CB 0.424 38.422 39.000 -1.669 0.000 1.167 325 F HN 0.567 nan 8.300 nan 0.000 0.539 326 D N 6.443 126.373 120.400 -0.784 0.000 2.421 326 D HA 0.154 4.794 4.640 -0.000 0.000 0.254 326 D C 0.866 176.802 176.300 -0.607 0.000 1.238 326 D CA -0.466 53.198 54.000 -0.561 0.000 0.919 326 D CB 0.573 41.204 40.800 -0.281 0.000 1.152 326 D HN 0.554 nan 8.370 nan 0.000 0.552 327 I N 1.031 121.210 120.570 -0.651 0.000 3.083 327 I HA -0.001 4.169 4.170 -0.000 0.000 0.273 327 I C 1.249 177.218 176.117 -0.246 0.000 1.297 327 I CA 1.001 62.014 61.300 -0.477 0.000 1.452 327 I CB -0.385 37.397 38.000 -0.365 0.000 1.078 327 I HN 0.302 nan 8.210 nan 0.000 0.484 328 T N -2.110 112.322 114.554 -0.203 0.000 3.107 328 T HA 0.221 4.571 4.350 -0.000 0.000 0.249 328 T C 0.961 175.607 174.700 -0.091 0.000 1.096 328 T CA -0.404 61.625 62.100 -0.118 0.000 1.012 328 T CB -0.298 68.515 68.868 -0.092 0.000 0.977 328 T HN 0.303 nan 8.240 nan 0.000 0.527 329 R N 2.010 122.442 120.500 -0.113 0.000 2.486 329 R HA 0.271 4.611 4.340 -0.000 0.000 0.303 329 R C -0.428 175.864 176.300 -0.012 0.000 0.958 329 R CA 0.269 56.336 56.100 -0.054 0.000 1.077 329 R CB 0.111 30.378 30.300 -0.054 0.000 0.921 329 R HN 0.326 nan 8.270 nan 0.000 0.406 330 S N 4.073 119.775 115.700 0.003 0.000 2.603 330 S HA 0.457 4.927 4.470 -0.000 0.000 0.274 330 S C -2.163 172.443 174.600 0.009 0.000 1.168 330 S CA -1.276 56.931 58.200 0.012 0.000 0.963 330 S CB 1.176 64.376 63.200 -0.000 0.000 1.078 330 S HN 0.548 nan 8.310 nan 0.000 0.477 331 P HA 0.525 nan 4.420 nan 0.000 0.293 331 P C -1.225 176.129 177.300 0.090 0.000 1.304 331 P CA -0.655 62.469 63.100 0.039 0.000 0.767 331 P CB 0.491 32.205 31.700 0.023 0.000 1.247 332 N N 0.756 119.533 118.700 0.127 0.000 2.762 332 N HA 0.191 4.931 4.740 -0.000 0.000 0.252 332 N C -2.434 173.211 175.510 0.226 0.000 1.269 332 N CA -1.378 51.821 53.050 0.248 0.000 0.799 332 N CB 0.796 39.423 38.487 0.233 0.000 1.173 332 N HN 0.173 nan 8.380 nan 0.000 0.516 333 P HA 0.120 nan 4.420 nan 0.000 0.226 333 P C -0.281 177.224 177.300 0.342 0.000 1.758 333 P CA -0.229 62.965 63.100 0.157 0.000 0.896 333 P CB -0.990 30.771 31.700 0.102 0.000 1.784 334 H N -0.946 118.363 119.070 0.398 0.000 2.822 334 H HA 0.148 4.704 4.556 -0.000 0.000 0.373 334 H C 0.461 175.922 175.328 0.221 0.000 1.223 334 H CA -0.446 55.798 56.048 0.328 0.000 1.436 334 H CB 0.358 30.164 29.762 0.072 0.000 1.439 334 H HN 0.003 nan 8.280 nan 0.000 0.618 335 L N 1.508 122.913 121.223 0.305 0.000 2.965 335 L HA 0.188 4.528 4.340 -0.000 0.000 0.254 335 L C 1.250 178.205 176.870 0.142 0.000 1.220 335 L CA -0.056 54.860 54.840 0.127 0.000 1.023 335 L CB 0.179 42.204 42.059 -0.057 0.000 1.355 335 L HN 0.674 nan 8.230 nan 0.000 0.545 336 S N -0.077 115.764 115.700 0.235 0.000 2.423 336 S HA -0.010 4.460 4.470 -0.000 0.000 0.231 336 S C 1.327 175.841 174.600 -0.143 0.000 1.014 336 S CA 1.276 59.438 58.200 -0.063 0.000 0.965 336 S CB -0.113 62.885 63.200 -0.338 0.000 0.785 336 S HN 0.424 nan 8.310 nan 0.000 0.495 337 F N 1.336 121.403 119.950 0.195 0.000 2.660 337 F HA 0.350 4.876 4.527 -0.000 0.000 0.302 337 F C 1.620 177.476 175.800 0.094 0.000 1.103 337 F CA -0.010 58.067 58.000 0.128 0.000 1.340 337 F CB 0.078 39.157 39.000 0.131 0.000 1.048 337 F HN 0.325 nan 8.300 nan 0.000 0.551 338 G N 0.497 109.427 108.800 0.217 0.000 2.584 338 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.229 338 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.229 338 G C -1.320 173.709 174.900 0.215 0.000 1.320 338 G CA -0.371 44.825 45.100 0.160 0.000 0.891 338 G HN 0.497 nan 8.290 nan 0.000 0.573 339 H N -1.167 117.921 119.070 0.030 0.000 3.114 339 H HA 0.653 5.209 4.556 -0.000 0.000 0.325 339 H C 0.563 175.885 175.328 -0.011 0.000 1.206 339 H CA 1.932 57.976 56.048 -0.006 0.000 1.316 339 H CB 1.049 30.775 29.762 -0.059 0.000 1.981 339 H HN 2.625 nan 8.280 nan 0.000 0.527 340 G N 1.828 110.357 108.800 -0.452 0.000 2.499 340 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.232 340 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.232 340 G C 0.612 175.402 174.900 -0.184 0.000 1.251 340 G CA 0.502 45.382 45.100 -0.366 0.000 0.917 340 G HN 0.823 nan 8.290 nan 0.000 0.580 341 H N -0.208 118.822 119.070 -0.067 0.000 2.423 341 H HA 0.047 4.603 4.556 -0.000 0.000 0.297 341 H C 1.919 177.175 175.328 -0.120 0.000 1.075 341 H CA 1.384 57.377 56.048 -0.093 0.000 1.342 341 H CB 0.044 29.715 29.762 -0.151 0.000 1.395 341 H HN 0.474 nan 8.280 nan 0.000 0.530 342 H N -0.271 118.859 119.070 0.100 0.000 2.517 342 H HA 0.108 4.664 4.556 -0.000 0.000 0.282 342 H C 0.316 175.679 175.328 0.058 0.000 1.023 342 H CA -0.136 55.950 56.048 0.063 0.000 1.169 342 H CB 0.006 29.735 29.762 -0.055 0.000 1.454 342 H HN 0.093 nan 8.280 nan 0.000 0.556 343 V N 1.793 121.780 119.914 0.120 0.000 2.814 343 V HA -0.151 3.969 4.120 -0.000 0.000 0.307 343 V C 0.869 177.004 176.094 0.069 0.000 1.089 343 V CA -0.102 62.254 62.300 0.094 0.000 1.212 343 V CB 0.330 32.179 31.823 0.044 0.000 0.912 343 V HN 0.593 nan 8.190 nan 0.000 0.497 344 C N 7.187 126.541 119.300 0.089 0.000 2.334 344 C HA -0.042 4.418 4.460 -0.000 0.000 0.395 344 C C 1.601 176.526 174.990 -0.108 0.000 1.507 344 C CA 0.493 59.524 59.018 0.022 0.000 1.494 344 C CB -1.166 26.635 27.740 0.101 0.000 2.509 344 C HN 1.001 nan 8.230 nan 0.000 0.599 345 L N 5.691 126.820 121.223 -0.157 0.000 2.179 345 L HA 0.245 4.585 4.340 -0.000 0.000 0.208 345 L C 2.090 178.718 176.870 -0.404 0.000 1.096 345 L CA 2.265 56.958 54.840 -0.246 0.000 0.779 345 L CB -0.400 41.488 42.059 -0.285 0.000 0.922 345 L HN 0.889 nan 8.230 nan 0.000 0.443 346 G N -1.894 106.623 108.800 -0.471 0.000 3.707 346 G HA2 0.084 4.044 3.960 -0.000 0.000 0.286 346 G HA3 0.084 4.044 3.960 -0.000 0.000 0.286 346 G C 1.291 176.043 174.900 -0.248 0.000 1.112 346 G CA 0.504 45.336 45.100 -0.446 0.000 0.861 346 G HN 0.436 nan 8.290 nan 0.000 0.534 347 S N -0.031 115.431 115.700 -0.398 0.000 2.382 347 S HA -0.120 4.350 4.470 -0.000 0.000 0.228 347 S C 2.313 176.676 174.600 -0.394 0.000 1.027 347 S CA 1.681 59.406 58.200 -0.792 0.000 0.991 347 S CB -0.247 62.231 63.200 -1.204 0.000 0.823 347 S HN 0.145 nan 8.310 nan 0.000 0.469 348 S N 1.729 117.325 115.700 -0.173 0.000 2.368 348 S HA 0.070 4.540 4.470 -0.000 0.000 0.224 348 S C 1.722 176.352 174.600 0.051 0.000 1.029 348 S CA 1.100 59.281 58.200 -0.033 0.000 0.988 348 S CB -0.589 62.620 63.200 0.016 0.000 0.838 348 S HN 0.480 nan 8.310 nan 0.000 0.462 349 L N 1.990 123.278 121.223 0.107 0.000 2.017 349 L HA 0.024 4.364 4.340 -0.000 0.000 0.208 349 L C 2.317 179.253 176.870 0.109 0.000 1.073 349 L CA 1.954 56.896 54.840 0.170 0.000 0.745 349 L CB -1.060 41.163 42.059 0.274 0.000 0.894 349 L HN 0.229 nan 8.230 nan 0.000 0.432 350 A N -0.299 122.569 122.820 0.080 0.000 1.883 350 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 350 A C 2.428 180.099 177.584 0.145 0.000 1.186 350 A CA 1.936 54.047 52.037 0.123 0.000 0.624 350 A CB -0.583 18.547 19.000 0.217 0.000 0.822 350 A HN 0.518 nan 8.150 nan 0.000 0.444 351 R N -1.304 119.283 120.500 0.144 0.000 2.081 351 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 351 R C 2.123 178.485 176.300 0.105 0.000 1.131 351 R CA 1.432 57.622 56.100 0.150 0.000 0.960 351 R CB -0.508 29.875 30.300 0.137 0.000 0.856 351 R HN 0.488 nan 8.270 nan 0.000 0.436 352 L N 1.493 122.771 121.223 0.092 0.000 2.056 352 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 352 L C 1.834 178.746 176.870 0.071 0.000 1.078 352 L CA 1.789 56.680 54.840 0.084 0.000 0.749 352 L CB -0.288 41.832 42.059 0.101 0.000 0.901 352 L HN 0.124 nan 8.230 nan 0.000 0.433 353 E N -0.433 119.806 120.200 0.065 0.000 2.058 353 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 353 E C 2.134 178.737 176.600 0.006 0.000 0.997 353 E CA 1.284 57.698 56.400 0.024 0.000 0.801 353 E CB -0.312 29.390 29.700 0.005 0.000 0.746 353 E HN 0.656 nan 8.360 nan 0.000 0.450 354 A N 1.132 123.972 122.820 0.034 0.000 1.873 354 A HA -0.247 4.073 4.320 -0.000 0.000 0.215 354 A C 2.065 179.678 177.584 0.048 0.000 1.186 354 A CA 1.438 53.497 52.037 0.037 0.000 0.616 354 A CB -0.479 18.561 19.000 0.066 0.000 0.823 354 A HN 0.168 nan 8.150 nan 0.000 0.442 355 Q N -0.491 119.344 119.800 0.058 0.000 2.061 355 Q HA -0.135 4.205 4.340 -0.000 0.000 0.204 355 Q C 2.036 178.065 176.000 0.048 0.000 0.984 355 Q CA 1.803 57.639 55.803 0.056 0.000 0.846 355 Q CB -0.324 28.450 28.738 0.060 0.000 0.902 355 Q HN 0.749 nan 8.270 nan 0.000 0.421 356 I N 0.188 120.783 120.570 0.041 0.000 2.252 356 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 356 I C 2.387 178.527 176.117 0.038 0.000 1.102 356 I CA 0.835 62.154 61.300 0.031 0.000 1.385 356 I CB -0.395 37.620 38.000 0.025 0.000 1.064 356 I HN 0.175 nan 8.210 nan 0.000 0.414 357 A N 1.115 123.961 122.820 0.044 0.000 1.877 357 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 357 A C 2.282 180.005 177.584 0.232 0.000 1.186 357 A CA 1.626 53.742 52.037 0.133 0.000 0.620 357 A CB -0.787 18.159 19.000 -0.090 0.000 0.822 357 A HN 0.373 nan 8.150 nan 0.000 0.443 358 I N -0.569 120.078 120.570 0.130 0.000 2.233 358 I HA -0.193 3.977 4.170 -0.000 0.000 0.243 358 I C 2.269 178.421 176.117 0.058 0.000 1.093 358 I CA 1.132 62.496 61.300 0.106 0.000 1.380 358 I CB -0.426 37.621 38.000 0.079 0.000 1.067 358 I HN 0.241 nan 8.210 nan 0.000 0.413 359 N N 0.531 119.258 118.700 0.044 0.000 2.104 359 N HA -0.148 4.592 4.740 -0.000 0.000 0.190 359 N C 1.837 177.348 175.510 0.002 0.000 1.024 359 N CA 1.892 54.956 53.050 0.023 0.000 0.853 359 N CB -0.424 38.079 38.487 0.027 0.000 1.008 359 N HN 0.277 nan 8.380 nan 0.000 0.424 360 T N 1.113 115.660 114.554 -0.010 0.000 2.777 360 T HA -0.086 4.264 4.350 -0.000 0.000 0.266 360 T C 1.931 176.566 174.700 -0.108 0.000 1.040 360 T CA 0.573 62.632 62.100 -0.069 0.000 1.141 360 T CB -0.383 68.384 68.868 -0.168 0.000 0.868 360 T HN 0.115 nan 8.240 nan 0.000 0.444 361 L N 1.184 122.341 121.223 -0.109 0.000 2.013 361 L HA -0.034 4.306 4.340 -0.000 0.000 0.212 361 L C 2.136 178.905 176.870 -0.168 0.000 1.073 361 L CA 1.719 56.422 54.840 -0.228 0.000 0.753 361 L CB -0.723 41.218 42.059 -0.198 0.000 0.890 361 L HN 0.242 nan 8.230 nan 0.000 0.432 362 L N -1.262 119.913 121.223 -0.081 0.000 2.201 362 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 362 L C 2.592 179.434 176.870 -0.047 0.000 1.105 362 L CA 1.046 55.854 54.840 -0.053 0.000 0.775 362 L CB -0.451 41.599 42.059 -0.015 0.000 0.913 362 L HN 0.422 nan 8.230 nan 0.000 0.440 363 Q N -0.379 119.395 119.800 -0.043 0.000 2.083 363 Q HA -0.115 4.225 4.340 -0.000 0.000 0.198 363 Q C 2.232 178.208 176.000 -0.039 0.000 0.969 363 Q CA 1.245 57.033 55.803 -0.024 0.000 0.838 363 Q CB 0.149 28.887 28.738 -0.001 0.000 0.900 363 Q HN 0.396 nan 8.270 nan 0.000 0.436 364 R N -0.829 119.621 120.500 -0.083 0.000 2.254 364 R HA 0.140 4.480 4.340 -0.000 0.000 0.195 364 R C 0.011 176.218 176.300 -0.155 0.000 0.957 364 R CA 0.312 56.351 56.100 -0.102 0.000 1.024 364 R CB 0.576 30.802 30.300 -0.124 0.000 0.952 364 R HN 0.177 nan 8.270 nan 0.000 0.484 365 M N 0.793 120.279 119.600 -0.189 0.000 2.182 365 M HA 0.290 4.770 4.480 -0.000 0.000 0.285 365 M C -2.345 173.924 176.300 -0.052 0.000 0.956 365 M CA -2.384 52.807 55.300 -0.182 0.000 0.878 365 M CB 0.975 33.337 32.600 -0.398 0.000 1.373 365 M HN -0.279 nan 8.290 nan 0.000 0.393 366 P HA -0.066 nan 4.420 nan 0.000 0.222 366 P C 0.850 178.168 177.300 0.030 0.000 1.147 366 P CA 1.168 64.274 63.100 0.010 0.000 0.790 366 P CB 0.262 31.972 31.700 0.016 0.000 0.780 367 S N -1.409 114.326 115.700 0.059 0.000 2.457 367 S HA 0.271 4.741 4.470 -0.000 0.000 0.237 367 S C -0.022 174.634 174.600 0.094 0.000 1.213 367 S CA -0.768 57.472 58.200 0.066 0.000 1.218 367 S CB -1.073 62.164 63.200 0.061 0.000 0.922 367 S HN -0.124 nan 8.310 nan 0.000 0.488 368 L N 2.647 123.920 121.223 0.083 0.000 2.462 368 L HA 0.458 4.798 4.340 -0.000 0.000 0.272 368 L C -0.355 176.562 176.870 0.077 0.000 1.166 368 L CA 0.847 55.747 54.840 0.100 0.000 0.880 368 L CB -0.025 42.056 42.059 0.037 0.000 1.142 368 L HN 0.518 nan 8.230 nan 0.000 0.473 369 N N 2.992 121.747 118.700 0.091 0.000 2.357 369 N HA 0.548 5.288 4.740 -0.000 0.000 0.284 369 N C -1.447 174.109 175.510 0.077 0.000 1.236 369 N CA -0.793 52.298 53.050 0.068 0.000 0.774 369 N CB 1.483 40.003 38.487 0.054 0.000 1.534 369 N HN 0.463 nan 8.380 nan 0.000 0.478 370 L N 1.633 122.905 121.223 0.083 0.000 2.380 370 L HA 0.478 4.818 4.340 -0.000 0.000 0.273 370 L C 0.496 177.438 176.870 0.120 0.000 1.138 370 L CA -0.372 54.542 54.840 0.124 0.000 0.832 370 L CB 0.642 42.821 42.059 0.200 0.000 1.124 370 L HN 0.583 nan 8.230 nan 0.000 0.454 371 A N 2.281 125.174 122.820 0.120 0.000 2.371 371 A HA 0.338 4.658 4.320 -0.000 0.000 0.257 371 A C -0.039 177.599 177.584 0.090 0.000 1.089 371 A CA -0.763 51.322 52.037 0.081 0.000 0.794 371 A CB 0.071 19.108 19.000 0.060 0.000 1.029 371 A HN 0.898 nan 8.150 nan 0.000 0.488 375 W N 0.833 122.103 121.300 -0.050 0.000 2.150 375 W HA 0.521 5.181 4.660 -0.000 0.000 0.341 375 W C 0.546 176.993 176.519 -0.119 0.000 1.276 375 W CA -0.578 56.701 57.345 -0.109 0.000 1.238 375 W CB 0.434 29.792 29.460 -0.169 0.000 1.128 375 W HN -0.012 nan 8.180 nan 0.000 0.581 376 R N 1.629 122.160 120.500 0.051 0.000 2.534 376 R HA 0.414 4.754 4.340 -0.000 0.000 0.301 376 R C -1.551 174.700 176.300 -0.082 0.000 0.961 376 R CA -0.936 55.181 56.100 0.027 0.000 0.871 376 R CB 1.045 31.365 30.300 0.034 0.000 1.170 376 R HN 0.604 nan 8.270 nan 0.000 0.446 377 Y N 2.071 122.430 120.300 0.097 0.000 2.334 377 Y HA 0.381 4.931 4.550 -0.000 0.000 0.328 377 Y C 0.622 176.576 175.900 0.090 0.000 1.130 377 Y CA -0.509 57.641 58.100 0.083 0.000 1.163 377 Y CB 1.268 39.760 38.460 0.054 0.000 1.207 377 Y HN 0.338 nan 8.280 nan 0.000 0.471 378 R N 3.931 124.573 120.500 0.237 0.000 2.679 378 R HA 0.061 4.400 4.340 -0.000 0.000 0.268 378 R C -2.126 174.311 176.300 0.229 0.000 1.044 378 R CA -1.333 54.879 56.100 0.186 0.000 1.105 378 R CB 0.015 30.407 30.300 0.154 0.000 0.989 378 R HN 0.404 nan 8.270 nan 0.000 0.447 379 P HA 0.039 nan 4.420 nan 0.000 0.231 379 P C -1.014 176.421 177.300 0.224 0.000 1.756 379 P CA 0.464 63.692 63.100 0.213 0.000 0.990 379 P CB -0.021 31.752 31.700 0.122 0.000 1.973 380 L N 0.517 121.936 121.223 0.327 0.000 2.362 380 L HA 0.420 4.760 4.340 -0.000 0.000 0.275 380 L C 1.006 178.205 176.870 0.548 0.000 0.998 380 L CA -0.915 54.147 54.840 0.369 0.000 0.820 380 L CB 1.361 43.648 42.059 0.379 0.000 1.270 380 L HN -0.093 nan 8.230 nan 0.000 0.415 381 F N 0.917 120.944 119.950 0.127 0.000 2.530 381 F HA 0.167 4.694 4.527 -0.000 0.000 0.292 381 F C 2.048 177.818 175.800 -0.049 0.000 1.109 381 F CA 0.333 58.378 58.000 0.076 0.000 1.450 381 F CB -0.263 38.733 39.000 -0.008 0.000 1.114 381 F HN 0.602 nan 8.300 nan 0.000 0.560 382 G N -1.416 107.413 108.800 0.048 0.000 2.813 382 G HA2 0.060 4.020 3.960 -0.000 0.000 0.209 382 G HA3 0.060 4.020 3.960 -0.000 0.000 0.209 382 G C -0.149 174.352 174.900 -0.665 0.000 1.150 382 G CA 0.300 45.186 45.100 -0.357 0.000 0.785 382 G HN 0.114 nan 8.290 nan 0.000 0.535 383 F N -1.617 118.393 119.950 0.099 0.000 2.588 383 F HA 0.555 5.082 4.527 -0.000 0.000 0.310 383 F C 0.038 175.883 175.800 0.074 0.000 1.082 383 F CA -1.302 56.747 58.000 0.082 0.000 0.929 383 F CB 2.149 41.209 39.000 0.100 0.000 1.254 383 F HN -0.267 nan 8.300 nan 0.000 0.455 384 R N 2.020 122.661 120.500 0.235 0.000 2.369 384 R HA 0.784 5.124 4.340 -0.000 0.000 0.310 384 R C -1.378 175.082 176.300 0.267 0.000 1.141 384 R CA -0.180 56.016 56.100 0.160 0.000 1.116 384 R CB 0.375 30.702 30.300 0.044 0.000 1.135 384 R HN 0.741 nan 8.270 nan 0.000 0.529 385 A N 5.118 128.136 122.820 0.331 0.000 2.335 385 A HA 0.437 4.757 4.320 -0.000 0.000 0.304 385 A C -0.840 176.882 177.584 0.231 0.000 1.118 385 A CA -0.757 51.430 52.037 0.250 0.000 0.757 385 A CB 0.867 19.977 19.000 0.184 0.000 1.188 385 A HN 0.647 nan 8.150 nan 0.000 0.460 386 L N 2.024 123.284 121.223 0.061 0.000 2.417 386 L HA 0.202 4.542 4.340 -0.000 0.000 0.268 386 L C 1.486 178.334 176.870 -0.036 0.000 1.158 386 L CA -0.417 54.337 54.840 -0.142 0.000 0.819 386 L CB 0.689 42.615 42.059 -0.220 0.000 1.112 386 L HN 0.828 nan 8.230 nan 0.000 0.458 387 E N 1.850 122.022 120.200 -0.048 0.000 2.028 387 E HA -0.081 4.269 4.350 -0.000 0.000 0.190 387 E C -0.067 176.528 176.600 -0.008 0.000 0.984 387 E CA 1.090 57.487 56.400 -0.005 0.000 0.800 387 E CB 0.246 29.950 29.700 0.007 0.000 0.758 387 E HN 0.737 nan 8.360 nan 0.000 0.448 388 E N -0.573 119.620 120.200 -0.011 0.000 2.430 388 E HA 0.477 4.827 4.350 -0.000 0.000 0.279 388 E C -1.279 175.331 176.600 0.017 0.000 1.003 388 E CA -0.743 55.662 56.400 0.008 0.000 0.801 388 E CB 1.409 31.119 29.700 0.016 0.000 1.313 388 E HN -0.061 nan 8.360 nan 0.000 0.459 389 L N 1.511 122.754 121.223 0.033 0.000 2.490 389 L HA 0.439 4.779 4.340 -0.000 0.000 0.256 389 L C -2.914 173.997 176.870 0.068 0.000 1.089 389 L CA -1.591 53.275 54.840 0.042 0.000 0.916 389 L CB 1.421 43.480 42.059 -0.000 0.000 1.188 389 L HN 0.344 nan 8.230 nan 0.000 0.476 390 P HA 0.384 nan 4.420 nan 0.000 0.281 390 P C -0.943 176.411 177.300 0.090 0.000 1.252 390 P CA -0.118 63.029 63.100 0.078 0.000 0.778 390 P CB 1.348 33.087 31.700 0.064 0.000 0.895 391 V N 0.228 120.199 119.914 0.096 0.000 3.102 391 V HA 0.942 5.061 4.120 -0.000 0.000 0.312 391 V C -0.354 175.800 176.094 0.100 0.000 1.135 391 V CA -0.872 61.495 62.300 0.112 0.000 1.022 391 V CB 1.900 33.803 31.823 0.134 0.000 1.056 391 V HN 0.623 nan 8.190 nan 0.000 0.436 392 T N 0.068 114.672 114.554 0.084 0.000 2.916 392 T HA 0.940 5.290 4.350 -0.000 0.000 0.292 392 T C -0.832 173.916 174.700 0.080 0.000 1.055 392 T CA -0.516 61.555 62.100 -0.048 0.000 1.009 392 T CB 1.874 70.694 68.868 -0.079 0.000 1.118 392 T HN 1.803 nan 8.240 nan 0.000 0.497 393 F N -1.764 118.174 119.950 -0.019 0.000 2.741 393 F HA 0.846 5.373 4.527 -0.000 0.000 0.313 393 F C -0.704 175.084 175.800 -0.020 0.000 1.153 393 F CA -1.224 56.762 58.000 -0.024 0.000 0.931 393 F CB 0.540 39.517 39.000 -0.039 0.000 1.335 393 F HN 0.793 nan 8.300 nan 0.000 0.460 394 E N 0.000 120.341 120.200 0.234 0.000 2.725 394 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 394 E CA 0.000 56.478 56.400 0.130 0.000 0.976 394 E CB 0.000 29.785 29.700 0.142 0.000 0.812 394 E HN 0.000 nan 8.360 nan 0.000 0.440