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 1z52_1_A DATA FIRST_RESID 3 DATA SEQUENCE PVYPDQLRLF SLGQGVcGDK YRPVNREEAQ SVKSNIVGMM GQWQISGLAN DATA SEQUENCE GWVIMGPGYN GEIKPGTASN TWcYPTNPVT GEIPTLSALD IPDGDEVDVQ DATA SEQUENCE WRLVHDSANF IKPTSYLAHY LGYAWVGGNH SQYVGEDMDV TRDGDGWVIR DATA SEQUENCE GNNDGGcDGY RcGDKTAIKV SNFAYNLDPD SFKHGDVTQS DRQLVKTVVG DATA SEQUENCE WAVNDSDTPQ SGYDVTLRYD TATNWSKTNT YGLSEKVTTK NKFKWPLVGE DATA SEQUENCE TELSIEIAAN QSWASQNGGS TTTSLSQSVR PTVPARSKIP VKIELYKADI DATA SEQUENCE SYPYEFKADV SYDLTLSGFL RWGGNAWYTH PDNRPNWNHT FVIGPYKDKA DATA SEQUENCE SSIRYQWDKR YIPGEVKWWD LNWTIQQNGL STMQNNLARV LRPVRAGITG DATA SEQUENCE DFSAESQFAG NIEIGAPVPL AXXXXXXXXX XXXXXXXGLR LEIPLDAQEL DATA SEQUENCE SGLGFNNVSL SVTPAAN 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 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 176.957 177.300 -0.572 0.000 1.155 3 P CA 0.000 62.859 63.100 -0.402 0.000 0.800 3 P CB 0.000 31.412 31.700 -0.481 0.000 0.726 4 V N 2.509 122.143 119.914 -0.465 0.000 2.405 4 V HA 0.194 4.314 4.120 0.001 0.000 0.264 4 V C -0.414 175.470 176.094 -0.351 0.000 1.048 4 V CA -0.162 61.792 62.300 -0.576 0.000 0.966 4 V CB -0.512 30.992 31.823 -0.533 0.000 1.015 4 V HN 0.406 nan 8.190 nan 0.000 0.477 5 Y N 8.100 128.421 120.300 0.035 0.000 2.452 5 Y HA 0.275 4.825 4.550 0.001 0.000 0.348 5 Y C -0.861 175.136 175.900 0.162 0.000 0.985 5 Y CA -2.542 55.642 58.100 0.140 0.000 1.214 5 Y CB 0.691 39.287 38.460 0.226 0.000 1.136 5 Y HN 0.477 nan 8.280 nan 0.000 0.523 6 P HA -0.228 nan 4.420 nan 0.000 0.216 6 P C 0.801 178.191 177.300 0.150 0.000 1.150 6 P CA 1.833 64.994 63.100 0.102 0.000 0.843 6 P CB 0.316 32.027 31.700 0.018 0.000 0.787 7 D N -0.532 119.967 120.400 0.164 0.000 2.378 7 D HA -0.147 4.493 4.640 0.001 0.000 0.227 7 D C 1.486 177.884 176.300 0.164 0.000 1.012 7 D CA 0.665 54.741 54.000 0.127 0.000 0.905 7 D CB -0.563 40.282 40.800 0.074 0.000 0.895 7 D HN 0.308 nan 8.370 nan 0.000 0.532 8 Q N -0.288 119.673 119.800 0.267 0.000 2.247 8 Q HA 0.258 4.599 4.340 0.001 0.000 0.211 8 Q C 0.581 176.795 176.000 0.356 0.000 0.861 8 Q CA -0.325 55.631 55.803 0.254 0.000 0.949 8 Q CB 1.073 29.917 28.738 0.177 0.000 1.115 8 Q HN 0.291 nan 8.270 nan 0.000 0.507 9 L N 1.018 122.481 121.223 0.401 0.000 2.482 9 L HA 0.133 4.473 4.340 0.001 0.000 0.273 9 L C 0.146 177.230 176.870 0.356 0.000 1.228 9 L CA 0.352 55.454 54.840 0.437 0.000 0.827 9 L CB 0.282 42.494 42.059 0.255 0.000 1.099 9 L HN -0.045 nan 8.230 nan 0.000 0.494 10 R N 1.592 122.305 120.500 0.355 0.000 2.542 10 R HA 0.364 4.705 4.340 0.001 0.000 0.284 10 R C -1.622 174.507 176.300 -0.285 0.000 1.167 10 R CA -0.534 55.525 56.100 -0.068 0.000 1.000 10 R CB 1.037 31.051 30.300 -0.477 0.000 1.229 10 R HN 0.405 nan 8.270 nan 0.000 0.416 11 L N 4.912 125.789 121.223 -0.577 0.000 2.331 11 L HA 0.563 4.903 4.340 0.001 0.000 0.278 11 L C -1.434 174.999 176.870 -0.729 0.000 1.106 11 L CA 0.639 54.934 54.840 -0.908 0.000 0.824 11 L CB 0.268 41.583 42.059 -1.241 0.000 1.142 11 L HN 0.590 nan 8.230 nan 0.000 0.443 12 F N 2.160 121.902 119.950 -0.346 0.000 2.546 12 F HA 0.452 4.979 4.527 0.001 0.000 0.320 12 F C 0.354 176.039 175.800 -0.192 0.000 1.076 12 F CA -0.492 57.373 58.000 -0.226 0.000 0.928 12 F CB 2.177 41.074 39.000 -0.172 0.000 1.189 12 F HN 0.509 nan 8.300 nan 0.000 0.465 13 S N 2.576 118.318 115.700 0.071 0.000 2.143 13 S HA 0.457 4.928 4.470 0.001 0.000 0.188 13 S C -0.523 174.096 174.600 0.032 0.000 1.431 13 S CA -0.491 57.714 58.200 0.009 0.000 1.253 13 S CB -0.548 62.636 63.200 -0.026 0.000 1.137 13 S HN 0.630 nan 8.310 nan 0.000 0.457 14 L N 1.419 122.663 121.223 0.035 0.000 3.202 14 L HA 0.611 4.951 4.340 0.001 0.000 0.278 14 L C 0.932 177.798 176.870 -0.007 0.000 1.268 14 L CA -0.178 54.666 54.840 0.006 0.000 1.034 14 L CB -0.032 42.012 42.059 -0.025 0.000 1.407 14 L HN 0.794 nan 8.230 nan 0.000 0.581 15 G N 0.790 109.590 108.800 -0.001 0.000 2.690 15 G HA2 -0.212 3.749 3.960 0.001 0.000 0.686 15 G HA3 -0.212 3.749 3.960 0.001 0.000 0.686 15 G C -0.449 174.452 174.900 0.002 0.000 1.277 15 G CA -0.801 44.298 45.100 -0.002 0.000 0.799 15 G HN 0.317 nan 8.290 nan 0.000 0.613 16 Q N 0.302 120.105 119.800 0.005 0.000 2.751 16 Q HA 0.396 4.736 4.340 0.001 0.000 0.338 16 Q C 1.610 177.621 176.000 0.019 0.000 1.085 16 Q CA 2.374 58.185 55.803 0.013 0.000 1.123 16 Q CB -0.424 28.319 28.738 0.009 0.000 0.975 16 Q HN 2.612 nan 8.270 nan 0.000 0.399 17 G N 2.744 111.564 108.800 0.034 0.000 2.258 17 G HA2 -0.238 3.722 3.960 0.001 0.000 0.274 17 G HA3 -0.238 3.722 3.960 0.001 0.000 0.274 17 G C -0.252 174.662 174.900 0.023 0.000 1.021 17 G CA 0.208 45.334 45.100 0.044 0.000 0.798 17 G HN 0.661 nan 8.290 nan 0.000 0.507 18 V N 0.279 120.194 119.914 0.002 0.000 2.370 18 V HA 0.498 4.619 4.120 0.001 0.000 0.283 18 V C 0.849 176.883 176.094 -0.100 0.000 1.023 18 V CA -0.753 61.523 62.300 -0.041 0.000 0.857 18 V CB 1.274 33.069 31.823 -0.047 0.000 0.985 18 V HN 0.424 nan 8.190 nan 0.000 0.443 19 c N 3.391 121.889 118.600 -0.169 0.000 2.354 19 c HA 0.840 5.410 4.570 0.001 0.000 0.381 19 c C 1.276 174.915 174.090 -0.751 0.000 1.240 19 c CA -0.459 55.614 56.329 -0.426 0.000 2.089 19 c CB 1.376 43.795 42.510 -0.152 0.000 2.234 19 c HN 1.008 nan 8.230 nan 0.000 0.544 20 G N 0.098 107.893 108.800 -1.674 0.000 2.621 20 G HA2 0.379 4.340 3.960 0.001 0.000 0.271 20 G HA3 0.379 4.340 3.960 0.001 0.000 0.271 20 G C -0.826 173.919 174.900 -0.258 0.000 1.236 20 G CA -0.092 44.393 45.100 -1.024 0.000 0.958 20 G HN 0.784 nan 8.290 nan 0.000 0.512 21 D N -0.127 120.243 120.400 -0.051 0.000 2.525 21 D HA 0.122 4.762 4.640 0.001 0.000 0.235 21 D C 0.773 177.136 176.300 0.106 0.000 1.137 21 D CA 0.920 54.940 54.000 0.033 0.000 0.868 21 D CB 0.449 41.270 40.800 0.036 0.000 1.180 21 D HN 0.466 nan 8.370 nan 0.000 0.465 22 K N 0.267 120.670 120.400 0.005 0.000 3.274 22 K HA -0.262 4.059 4.320 0.001 0.000 0.300 22 K C -0.751 175.728 176.600 -0.201 0.000 1.230 22 K CA 0.761 56.991 56.287 -0.095 0.000 0.884 22 K CB -1.513 30.899 32.500 -0.146 0.000 1.242 22 K HN 0.466 nan 8.250 nan 0.000 0.467 23 Y N 0.581 120.864 120.300 -0.027 0.000 2.562 23 Y HA 0.459 5.009 4.550 0.001 0.000 0.343 23 Y C 0.560 176.470 175.900 0.017 0.000 1.025 23 Y CA -0.955 57.158 58.100 0.022 0.000 1.082 23 Y CB 1.576 40.076 38.460 0.067 0.000 1.264 23 Y HN 0.054 nan 8.280 nan 0.000 0.478 24 R N 0.645 121.304 120.500 0.266 0.000 2.837 24 R HA 0.701 5.042 4.340 0.001 0.000 0.271 24 R C -3.377 173.064 176.300 0.235 0.000 0.993 24 R CA -2.429 53.782 56.100 0.185 0.000 0.931 24 R CB 1.659 32.043 30.300 0.141 0.000 1.206 24 R HN 0.215 nan 8.270 nan 0.000 0.474 25 P HA 0.030 nan 4.420 nan 0.000 0.271 25 P C -0.480 176.933 177.300 0.188 0.000 1.216 25 P CA -0.438 62.775 63.100 0.188 0.000 0.771 25 P CB 0.762 32.545 31.700 0.139 0.000 0.864 26 V N 3.841 123.885 119.914 0.217 0.000 2.637 26 V HA 0.072 4.192 4.120 0.001 0.000 0.296 26 V C 0.947 177.092 176.094 0.086 0.000 1.046 26 V CA -0.096 62.289 62.300 0.143 0.000 1.066 26 V CB 0.044 31.957 31.823 0.149 0.000 0.968 26 V HN 0.678 nan 8.190 nan 0.000 0.483 27 N N 4.378 123.086 118.700 0.014 0.000 2.434 27 N HA 0.219 4.959 4.740 0.001 0.000 0.266 27 N C 0.955 176.409 175.510 -0.093 0.000 1.223 27 N CA -0.670 52.361 53.050 -0.033 0.000 0.972 27 N CB 0.514 38.962 38.487 -0.065 0.000 1.207 27 N HN 0.503 nan 8.380 nan 0.000 0.525 28 R N -0.130 120.251 120.500 -0.199 0.000 2.096 28 R HA -0.225 4.116 4.340 0.001 0.000 0.240 28 R C 0.942 177.105 176.300 -0.228 0.000 1.139 28 R CA 1.905 57.829 56.100 -0.292 0.000 0.952 28 R CB -0.165 29.707 30.300 -0.713 0.000 0.854 28 R HN 0.713 nan 8.270 nan 0.000 0.436 29 E N 0.441 120.511 120.200 -0.217 0.000 2.047 29 E HA -0.163 4.188 4.350 0.001 0.000 0.191 29 E C 1.906 178.418 176.600 -0.147 0.000 0.987 29 E CA 1.776 58.073 56.400 -0.171 0.000 0.799 29 E CB -0.072 29.536 29.700 -0.153 0.000 0.752 29 E HN 0.478 nan 8.360 nan 0.000 0.449 30 E N 0.350 120.463 120.200 -0.145 0.000 2.118 30 E HA -0.205 4.145 4.350 0.001 0.000 0.195 30 E C 2.020 178.524 176.600 -0.160 0.000 0.992 30 E CA 0.977 57.280 56.400 -0.161 0.000 0.804 30 E CB -0.192 29.405 29.700 -0.171 0.000 0.741 30 E HN 0.277 nan 8.360 nan 0.000 0.458 31 A N 1.224 123.964 122.820 -0.134 0.000 1.902 31 A HA -0.264 4.056 4.320 0.001 0.000 0.217 31 A C 2.167 179.674 177.584 -0.129 0.000 1.181 31 A CA 1.719 53.678 52.037 -0.131 0.000 0.623 31 A CB -0.443 18.509 19.000 -0.079 0.000 0.818 31 A HN 0.142 nan 8.150 nan 0.000 0.443 32 Q N 0.955 120.685 119.800 -0.117 0.000 2.119 32 Q HA -0.134 4.206 4.340 0.001 0.000 0.201 32 Q C 2.087 178.025 176.000 -0.103 0.000 0.972 32 Q CA 2.414 58.157 55.803 -0.100 0.000 0.847 32 Q CB -0.602 28.076 28.738 -0.099 0.000 0.903 32 Q HN 0.708 nan 8.270 nan 0.000 0.433 33 S N -1.157 114.472 115.700 -0.119 0.000 2.447 33 S HA -0.068 4.403 4.470 0.001 0.000 0.233 33 S C 1.150 175.679 174.600 -0.118 0.000 1.006 33 S CA 0.821 58.951 58.200 -0.117 0.000 0.957 33 S CB -0.133 62.987 63.200 -0.134 0.000 0.773 33 S HN 0.467 nan 8.310 nan 0.000 0.507 34 V N -1.827 118.005 119.914 -0.136 0.000 2.925 34 V HA 0.524 4.644 4.120 0.001 0.000 0.361 34 V C 1.251 177.255 176.094 -0.151 0.000 1.361 34 V CA -0.168 62.050 62.300 -0.137 0.000 1.184 34 V CB -0.182 31.546 31.823 -0.157 0.000 1.245 34 V HN 0.285 nan 8.190 nan 0.000 0.575 35 K N 2.920 123.243 120.400 -0.128 0.000 2.034 35 K HA -0.260 4.061 4.320 0.001 0.000 0.214 35 K C 2.265 178.794 176.600 -0.118 0.000 1.051 35 K CA 2.938 59.153 56.287 -0.120 0.000 0.931 35 K CB -0.495 31.958 32.500 -0.079 0.000 0.715 35 K HN 0.789 nan 8.250 nan 0.000 0.446 36 S N -0.001 115.643 115.700 -0.094 0.000 2.382 36 S HA -0.171 4.299 4.470 0.001 0.000 0.228 36 S C 1.581 176.124 174.600 -0.095 0.000 1.027 36 S CA 1.502 59.654 58.200 -0.081 0.000 0.991 36 S CB -0.788 62.375 63.200 -0.062 0.000 0.823 36 S HN 0.523 nan 8.310 nan 0.000 0.469 37 N N 1.727 120.358 118.700 -0.115 0.000 2.270 37 N HA 0.199 4.939 4.740 0.001 0.000 0.181 37 N C 1.645 177.036 175.510 -0.198 0.000 1.016 37 N CA 1.261 54.237 53.050 -0.122 0.000 0.870 37 N CB -0.404 38.018 38.487 -0.108 0.000 0.979 37 N HN 0.426 nan 8.380 nan 0.000 0.431 38 I N 0.040 120.432 120.570 -0.298 0.000 2.193 38 I HA -0.173 3.998 4.170 0.001 0.000 0.240 38 I C 1.751 177.707 176.117 -0.270 0.000 1.084 38 I CA 0.778 61.763 61.300 -0.525 0.000 1.365 38 I CB -0.236 37.352 38.000 -0.686 0.000 1.064 38 I HN -0.032 nan 8.210 nan 0.000 0.410 39 V N 1.172 120.993 119.914 -0.155 0.000 2.469 39 V HA -0.240 3.881 4.120 0.001 0.000 0.251 39 V C 2.399 178.474 176.094 -0.031 0.000 1.064 39 V CA 2.058 64.327 62.300 -0.051 0.000 1.066 39 V CB -1.419 30.377 31.823 -0.046 0.000 0.667 39 V HN 0.619 nan 8.190 nan 0.000 0.461 40 G N -1.261 107.507 108.800 -0.053 0.000 2.776 40 G HA2 -0.112 3.849 3.960 0.001 0.000 0.209 40 G HA3 -0.112 3.849 3.960 0.001 0.000 0.209 40 G C 1.258 176.159 174.900 0.002 0.000 1.145 40 G CA 0.266 45.346 45.100 -0.032 0.000 0.791 40 G HN 0.511 nan 8.290 nan 0.000 0.530 41 M N -0.292 119.329 119.600 0.036 0.000 2.313 41 M HA 0.422 4.903 4.480 0.001 0.000 0.273 41 M C 0.209 176.627 176.300 0.197 0.000 1.049 41 M CA 0.100 55.475 55.300 0.125 0.000 1.004 41 M CB 0.700 33.420 32.600 0.201 0.000 1.461 41 M HN 0.041 nan 8.290 nan 0.000 0.514 42 M N -0.093 119.601 119.600 0.156 0.000 2.472 42 M HA 0.474 4.955 4.480 0.001 0.000 0.331 42 M C 0.677 177.018 176.300 0.068 0.000 1.170 42 M CA -0.679 54.721 55.300 0.166 0.000 1.009 42 M CB 1.616 34.347 32.600 0.219 0.000 1.672 42 M HN 0.112 nan 8.290 nan 0.000 0.453 43 G N 0.626 109.464 108.800 0.063 0.000 2.614 43 G HA2 0.035 3.995 3.960 0.001 0.000 0.239 43 G HA3 0.035 3.995 3.960 0.001 0.000 0.239 43 G C 0.449 175.313 174.900 -0.060 0.000 1.240 43 G CA -0.218 44.891 45.100 0.014 0.000 0.842 43 G HN 0.856 nan 8.290 nan 0.000 0.584 44 Q N 0.200 119.893 119.800 -0.178 0.000 2.047 44 Q HA -0.183 4.158 4.340 0.001 0.000 0.211 44 Q C 1.345 176.944 176.000 -0.669 0.000 1.005 44 Q CA 2.445 57.940 55.803 -0.513 0.000 0.866 44 Q CB -0.242 28.096 28.738 -0.666 0.000 0.938 44 Q HN 0.740 nan 8.270 nan 0.000 0.414 45 W N 0.805 122.091 121.300 -0.024 0.000 2.926 45 W HA 0.381 5.041 4.660 0.001 0.000 0.419 45 W C -0.054 176.584 176.519 0.198 0.000 0.993 45 W CA -0.854 56.493 57.345 0.004 0.000 2.025 45 W CB 0.001 29.414 29.460 -0.078 0.000 1.152 45 W HN 0.141 nan 8.180 nan 0.000 0.659 46 Q N 1.721 121.684 119.800 0.272 0.000 2.392 46 Q HA 0.270 4.611 4.340 0.001 0.000 0.262 46 Q C -0.341 175.819 176.000 0.266 0.000 1.003 46 Q CA 0.566 56.507 55.803 0.230 0.000 0.888 46 Q CB 0.698 29.530 28.738 0.157 0.000 1.260 46 Q HN 0.227 nan 8.270 nan 0.000 0.435 47 I N 2.675 123.364 120.570 0.199 0.000 2.447 47 I HA 0.281 4.451 4.170 0.001 0.000 0.287 47 I C -0.861 175.330 176.117 0.123 0.000 1.023 47 I CA -0.539 60.857 61.300 0.159 0.000 1.083 47 I CB 2.124 40.186 38.000 0.102 0.000 1.245 47 I HN 0.506 nan 8.210 nan 0.000 0.434 48 S N 3.156 118.955 115.700 0.165 0.000 2.542 48 S HA 0.671 5.142 4.470 0.001 0.000 0.293 48 S C 0.093 174.802 174.600 0.182 0.000 1.089 48 S CA -0.733 57.547 58.200 0.132 0.000 0.961 48 S CB 2.105 65.377 63.200 0.120 0.000 1.062 48 S HN 0.767 nan 8.310 nan 0.000 0.483 49 G N 1.021 109.895 108.800 0.123 0.000 2.476 49 G HA2 0.622 4.583 3.960 0.001 0.000 0.269 49 G HA3 0.622 4.583 3.960 0.001 0.000 0.269 49 G C -0.731 174.304 174.900 0.224 0.000 1.195 49 G CA -0.378 44.813 45.100 0.153 0.000 0.843 49 G HN 0.552 nan 8.290 nan 0.000 0.545 50 L N 0.232 121.594 121.223 0.231 0.000 2.183 50 L HA 0.710 5.051 4.340 0.001 0.000 0.253 50 L C 0.867 177.864 176.870 0.212 0.000 1.048 50 L CA -1.349 53.633 54.840 0.237 0.000 0.890 50 L CB 1.547 43.748 42.059 0.236 0.000 1.476 50 L HN 0.630 nan 8.230 nan 0.000 0.455 51 A N 0.256 123.181 122.820 0.175 0.000 2.520 51 A HA 0.069 4.390 4.320 0.001 0.000 0.235 51 A C 0.707 178.424 177.584 0.223 0.000 1.065 51 A CA 0.656 52.785 52.037 0.153 0.000 0.764 51 A CB -0.420 18.638 19.000 0.097 0.000 1.002 51 A HN 0.956 nan 8.150 nan 0.000 0.502 52 N N 0.232 119.044 118.700 0.186 0.000 2.714 52 N HA -0.196 4.545 4.740 0.001 0.000 0.253 52 N C 0.782 176.452 175.510 0.268 0.000 1.024 52 N CA 0.985 54.165 53.050 0.217 0.000 0.726 52 N CB -1.071 37.557 38.487 0.235 0.000 0.908 52 N HN 2.305 nan 8.380 nan 0.000 0.542 53 G N -1.235 107.660 108.800 0.159 0.000 2.249 53 G HA2 -0.282 3.678 3.960 0.001 0.000 0.273 53 G HA3 -0.282 3.678 3.960 0.001 0.000 0.273 53 G C -0.199 174.661 174.900 -0.067 0.000 1.036 53 G CA 0.596 45.718 45.100 0.037 0.000 0.824 53 G HN 0.521 nan 8.290 nan 0.000 0.504 54 W N -1.972 119.345 121.300 0.030 0.000 2.671 54 W HA 0.774 5.435 4.660 0.001 0.000 0.360 54 W C 0.059 176.604 176.519 0.044 0.000 1.128 54 W CA -0.923 56.440 57.345 0.029 0.000 1.184 54 W CB 1.891 31.368 29.460 0.028 0.000 1.415 54 W HN 0.233 nan 8.180 nan 0.000 0.604 55 V N 2.557 122.631 119.914 0.267 0.000 3.049 55 V HA 0.527 4.647 4.120 0.001 0.000 0.309 55 V C -1.324 174.889 176.094 0.198 0.000 1.148 55 V CA -1.314 61.099 62.300 0.188 0.000 0.990 55 V CB 2.330 34.202 31.823 0.082 0.000 1.039 55 V HN 0.433 nan 8.190 nan 0.000 0.430 56 I N 4.549 125.239 120.570 0.199 0.000 2.474 56 I HA 0.608 4.778 4.170 0.001 0.000 0.294 56 I C -0.464 175.755 176.117 0.171 0.000 1.005 56 I CA -0.559 60.841 61.300 0.166 0.000 1.113 56 I CB 1.704 39.787 38.000 0.138 0.000 1.289 56 I HN 0.671 nan 8.210 nan 0.000 0.436 57 M N 5.252 124.936 119.600 0.141 0.000 2.573 57 M HA 0.491 4.971 4.480 0.001 0.000 0.309 57 M C 0.590 177.022 176.300 0.219 0.000 1.202 57 M CA -0.558 54.857 55.300 0.192 0.000 0.975 57 M CB 1.454 34.132 32.600 0.130 0.000 1.600 57 M HN 0.634 nan 8.290 nan 0.000 0.479 58 G N 0.725 109.687 108.800 0.271 0.000 2.684 58 G HA2 0.216 4.176 3.960 0.001 0.000 0.255 58 G HA3 0.216 4.176 3.960 0.001 0.000 0.255 58 G C -1.776 173.134 174.900 0.017 0.000 1.219 58 G CA -1.084 44.090 45.100 0.122 0.000 0.901 58 G HN 0.506 nan 8.290 nan 0.000 0.548 59 P HA -0.170 nan 4.420 nan 0.000 0.216 59 P C 1.902 179.051 177.300 -0.251 0.000 1.150 59 P CA 1.859 64.876 63.100 -0.137 0.000 0.843 59 P CB -0.147 31.464 31.700 -0.148 0.000 0.787 60 G N -1.098 107.383 108.800 -0.532 0.000 2.450 60 G HA2 -0.244 3.716 3.960 0.001 0.000 0.220 60 G HA3 -0.244 3.716 3.960 0.001 0.000 0.220 60 G C 0.912 175.484 174.900 -0.546 0.000 1.130 60 G CA 0.476 44.978 45.100 -0.996 0.000 0.760 60 G HN 0.263 nan 8.290 nan 0.000 0.557 61 Y N -0.208 120.028 120.300 -0.106 0.000 2.493 61 Y HA 0.238 4.788 4.550 0.001 0.000 0.275 61 Y C 1.199 177.122 175.900 0.038 0.000 1.183 61 Y CA -0.486 57.672 58.100 0.097 0.000 1.258 61 Y CB -0.457 38.100 38.460 0.163 0.000 1.108 61 Y HN 0.369 nan 8.280 nan 0.000 0.521 62 N N 0.434 119.185 118.700 0.086 0.000 2.758 62 N HA -0.205 4.535 4.740 0.001 0.000 0.248 62 N C 0.887 176.438 175.510 0.068 0.000 1.076 62 N CA 0.201 53.282 53.050 0.053 0.000 0.696 62 N CB -1.004 37.521 38.487 0.064 0.000 0.979 62 N HN 0.700 nan 8.380 nan 0.000 0.550 63 G N 0.649 109.496 108.800 0.079 0.000 2.361 63 G HA2 -0.360 3.600 3.960 0.001 0.000 0.294 63 G HA3 -0.360 3.600 3.960 0.001 0.000 0.294 63 G C -0.080 174.865 174.900 0.075 0.000 1.004 63 G CA 1.030 46.171 45.100 0.068 0.000 0.870 63 G HN 0.804 nan 8.290 nan 0.000 0.510 64 E N -0.773 119.488 120.200 0.103 0.000 2.442 64 E HA 0.281 4.632 4.350 0.001 0.000 0.262 64 E C 0.456 177.111 176.600 0.090 0.000 1.004 64 E CA -0.078 56.375 56.400 0.087 0.000 0.928 64 E CB 0.214 29.964 29.700 0.084 0.000 0.937 64 E HN 0.388 nan 8.360 nan 0.000 0.446 65 I N 5.255 125.890 120.570 0.108 0.000 2.389 65 I HA 0.303 4.474 4.170 0.001 0.000 0.288 65 I C -0.273 176.009 176.117 0.274 0.000 0.999 65 I CA -0.382 61.019 61.300 0.168 0.000 1.129 65 I CB 1.102 39.174 38.000 0.120 0.000 1.288 65 I HN 0.499 nan 8.210 nan 0.000 0.444 66 K N 5.701 126.284 120.400 0.305 0.000 2.571 66 K HA 0.671 4.991 4.320 0.001 0.000 0.289 66 K C -3.199 173.322 176.600 -0.131 0.000 1.028 66 K CA -1.931 54.480 56.287 0.208 0.000 0.895 66 K CB 1.205 33.726 32.500 0.035 0.000 1.534 66 K HN -0.009 nan 8.250 nan 0.000 0.421 67 P HA 0.305 nan 4.420 nan 0.000 0.271 67 P C -0.636 176.433 177.300 -0.386 0.000 1.218 67 P CA 0.150 62.714 63.100 -0.893 0.000 0.780 67 P CB 0.967 32.145 31.700 -0.870 0.000 0.901 68 G N 0.261 108.885 108.800 -0.293 0.000 2.338 68 G HA2 0.398 4.359 3.960 0.001 0.000 0.295 68 G HA3 0.398 4.359 3.960 0.001 0.000 0.295 68 G C -1.676 173.167 174.900 -0.094 0.000 1.461 68 G CA -0.467 44.541 45.100 -0.153 0.000 0.817 68 G HN 0.324 nan 8.290 nan 0.000 0.556 69 T N 0.431 114.948 114.554 -0.061 0.000 2.779 69 T HA 0.774 5.124 4.350 0.001 0.000 0.280 69 T C 0.010 174.705 174.700 -0.008 0.000 0.987 69 T CA 0.370 62.452 62.100 -0.031 0.000 0.966 69 T CB 1.369 70.217 68.868 -0.033 0.000 0.933 69 T HN 1.536 nan 8.240 nan 0.000 0.442 70 A N 1.689 124.515 122.820 0.010 0.000 2.455 70 A HA 0.657 4.977 4.320 0.001 0.000 0.300 70 A C 0.712 178.305 177.584 0.015 0.000 1.040 70 A CA -0.799 51.249 52.037 0.018 0.000 0.697 70 A CB 1.266 20.289 19.000 0.038 0.000 1.265 70 A HN 0.784 nan 8.150 nan 0.000 0.407 71 S N 0.480 116.185 115.700 0.008 0.000 2.577 71 S HA 0.113 4.583 4.470 0.001 0.000 0.219 71 S C 0.243 174.841 174.600 -0.003 0.000 0.962 71 S CA 0.198 58.401 58.200 0.004 0.000 0.921 71 S CB -0.925 62.276 63.200 0.001 0.000 0.789 71 S HN 0.936 nan 8.310 nan 0.000 0.497 72 N N -0.016 118.675 118.700 -0.014 0.000 2.292 72 N HA 0.663 5.403 4.740 0.001 0.000 0.303 72 N C -1.232 174.243 175.510 -0.058 0.000 1.140 72 N CA -0.585 52.438 53.050 -0.045 0.000 0.788 72 N CB 1.808 40.241 38.487 -0.090 0.000 1.361 72 N HN -0.065 nan 8.380 nan 0.000 0.489 73 T N -0.208 114.301 114.554 -0.074 0.000 2.909 73 T HA 0.302 4.653 4.350 0.001 0.000 0.299 73 T C -1.337 173.319 174.700 -0.075 0.000 1.073 73 T CA -0.462 61.626 62.100 -0.021 0.000 0.999 73 T CB 0.638 69.553 68.868 0.080 0.000 1.098 73 T HN 0.472 nan 8.240 nan 0.000 0.477 74 W N 1.764 123.137 121.300 0.122 0.000 2.322 74 W HA 0.523 5.184 4.660 0.001 0.000 0.307 74 W C 0.003 176.628 176.519 0.176 0.000 1.220 74 W CA -0.391 57.026 57.345 0.118 0.000 1.210 74 W CB 0.692 30.204 29.460 0.088 0.000 1.223 74 W HN 0.602 nan 8.180 nan 0.000 0.511 75 c N 3.018 121.929 118.600 0.519 0.000 3.044 75 c HA 0.608 5.178 4.570 0.001 0.000 0.315 75 c C -1.005 173.456 174.090 0.620 0.000 1.320 75 c CA -0.925 55.704 56.329 0.501 0.000 1.582 75 c CB 1.480 44.288 42.510 0.498 0.000 2.039 75 c HN 0.503 nan 8.230 nan 0.000 0.466 76 Y N 0.547 121.128 120.300 0.469 0.000 2.553 76 Y HA 0.537 5.087 4.550 0.001 0.000 0.347 76 Y C -2.742 173.375 175.900 0.362 0.000 1.019 76 Y CA -2.299 56.051 58.100 0.417 0.000 1.032 76 Y CB 1.720 40.313 38.460 0.223 0.000 1.284 76 Y HN 0.455 nan 8.280 nan 0.000 0.466 77 P HA 0.058 nan 4.420 nan 0.000 0.268 77 P C 0.473 177.600 177.300 -0.289 0.000 1.205 77 P CA 0.566 63.303 63.100 -0.604 0.000 0.771 77 P CB 0.805 32.122 31.700 -0.638 0.000 0.858 78 T N -0.962 113.462 114.554 -0.217 0.000 2.821 78 T HA -0.070 4.281 4.350 0.001 0.000 0.267 78 T C 0.672 175.322 174.700 -0.084 0.000 1.046 78 T CA 1.140 63.192 62.100 -0.080 0.000 1.139 78 T CB -0.434 68.392 68.868 -0.070 0.000 0.871 78 T HN 0.280 nan 8.240 nan 0.000 0.454 79 N N 2.807 121.418 118.700 -0.148 0.000 2.904 79 N HA 0.312 5.053 4.740 0.001 0.000 0.257 79 N C -2.839 172.597 175.510 -0.123 0.000 1.363 79 N CA -1.102 51.882 53.050 -0.110 0.000 0.856 79 N CB 1.475 39.892 38.487 -0.117 0.000 1.166 79 N HN 0.459 nan 8.380 nan 0.000 0.499 80 P HA 0.056 nan 4.420 nan 0.000 0.269 80 P C 0.144 177.485 177.300 0.070 0.000 1.209 80 P CA -0.235 62.802 63.100 -0.106 0.000 0.776 80 P CB 1.266 32.904 31.700 -0.102 0.000 0.876 81 V N 2.848 122.800 119.914 0.064 0.000 2.420 81 V HA -0.015 4.106 4.120 0.001 0.000 0.274 81 V C 1.505 177.634 176.094 0.057 0.000 1.003 81 V CA 0.584 62.929 62.300 0.075 0.000 1.092 81 V CB -0.730 31.015 31.823 -0.130 0.000 1.002 81 V HN 0.691 nan 8.190 nan 0.000 0.473 82 T N 4.078 118.718 114.554 0.143 0.000 2.868 82 T HA 0.491 4.841 4.350 0.001 0.000 0.292 82 T C 0.991 175.761 174.700 0.117 0.000 1.028 82 T CA 0.665 62.886 62.100 0.201 0.000 1.059 82 T CB 0.743 69.729 68.868 0.196 0.000 0.991 82 T HN 1.645 nan 8.240 nan 0.000 0.531 83 G N 3.292 112.254 108.800 0.269 0.000 2.359 83 G HA2 -0.188 3.773 3.960 0.001 0.000 0.298 83 G HA3 -0.188 3.773 3.960 0.001 0.000 0.298 83 G C -0.081 174.926 174.900 0.178 0.000 1.030 83 G CA 0.378 45.624 45.100 0.243 0.000 1.149 83 G HN 0.848 nan 8.290 nan 0.000 0.512 84 E N -0.772 119.322 120.200 -0.178 0.000 2.418 84 E HA 0.245 4.595 4.350 0.001 0.000 0.261 84 E C 1.115 177.692 176.600 -0.038 0.000 1.070 84 E CA -0.264 56.045 56.400 -0.151 0.000 0.931 84 E CB 0.959 30.306 29.700 -0.588 0.000 0.954 84 E HN 0.483 nan 8.360 nan 0.000 0.439 85 I N 3.600 124.095 120.570 -0.125 0.000 2.587 85 I HA 0.022 4.193 4.170 0.001 0.000 0.284 85 I C -1.960 174.069 176.117 -0.146 0.000 1.134 85 I CA -1.638 59.498 61.300 -0.273 0.000 1.410 85 I CB -0.203 37.516 38.000 -0.468 0.000 1.392 85 I HN 0.165 nan 8.210 nan 0.000 0.545 86 P HA -0.002 nan 4.420 nan 0.000 0.268 86 P C -0.198 177.065 177.300 -0.063 0.000 1.204 86 P CA -0.146 62.926 63.100 -0.047 0.000 0.768 86 P CB 0.521 32.200 31.700 -0.034 0.000 0.842 87 T N 4.704 119.236 114.554 -0.038 0.000 2.794 87 T HA 0.330 4.680 4.350 0.001 0.000 0.304 87 T C 0.135 174.818 174.700 -0.029 0.000 0.973 87 T CA -0.541 61.536 62.100 -0.038 0.000 0.972 87 T CB -0.792 68.060 68.868 -0.026 0.000 0.952 87 T HN 0.139 nan 8.240 nan 0.000 0.509 88 L N 3.908 125.111 121.223 -0.033 0.000 2.472 88 L HA 0.376 4.717 4.340 0.001 0.000 0.260 88 L C 1.415 178.274 176.870 -0.018 0.000 1.209 88 L CA -0.912 53.913 54.840 -0.025 0.000 0.817 88 L CB 0.440 42.483 42.059 -0.026 0.000 1.106 88 L HN 0.673 nan 8.230 nan 0.000 0.479 89 S N 0.557 116.248 115.700 -0.015 0.000 2.584 89 S HA 0.388 4.858 4.470 0.001 0.000 0.270 89 S C 0.118 174.713 174.600 -0.007 0.000 1.346 89 S CA -0.744 57.448 58.200 -0.013 0.000 1.018 89 S CB 0.917 64.108 63.200 -0.015 0.000 0.899 89 S HN 0.704 nan 8.310 nan 0.000 0.542 90 A N 1.049 123.866 122.820 -0.005 0.000 2.498 90 A HA 0.402 4.722 4.320 0.001 0.000 0.239 90 A C -0.049 177.540 177.584 0.009 0.000 1.068 90 A CA -0.512 51.528 52.037 0.005 0.000 0.766 90 A CB -0.334 18.669 19.000 0.004 0.000 1.003 90 A HN 1.072 nan 8.150 nan 0.000 0.497 91 L N 3.273 124.509 121.223 0.021 0.000 2.302 91 L HA 0.289 4.629 4.340 0.001 0.000 0.285 91 L C -0.511 176.372 176.870 0.021 0.000 1.090 91 L CA -0.262 54.592 54.840 0.023 0.000 0.866 91 L CB 0.162 42.244 42.059 0.038 0.000 1.244 91 L HN 0.622 nan 8.230 nan 0.000 0.435 92 D N 5.641 126.046 120.400 0.009 0.000 2.399 92 D HA 0.249 4.889 4.640 0.001 0.000 0.241 92 D C -0.130 176.170 176.300 -0.001 0.000 1.133 92 D CA 0.554 54.556 54.000 0.004 0.000 0.890 92 D CB 1.693 42.489 40.800 -0.006 0.000 1.201 92 D HN 0.447 nan 8.370 nan 0.000 0.432 93 I N 2.172 122.740 120.570 -0.004 0.000 2.498 93 I HA 0.171 4.341 4.170 0.001 0.000 0.290 93 I C -2.371 173.722 176.117 -0.040 0.000 1.032 93 I CA -2.231 59.056 61.300 -0.022 0.000 1.073 93 I CB 2.474 40.464 38.000 -0.018 0.000 1.251 93 I HN -0.056 nan 8.210 nan 0.000 0.426 94 P HA 0.045 nan 4.420 nan 0.000 0.266 94 P C -0.644 176.560 177.300 -0.161 0.000 1.215 94 P CA -0.041 63.002 63.100 -0.094 0.000 0.763 94 P CB 0.285 31.924 31.700 -0.102 0.000 0.806 95 D N 1.994 122.302 120.400 -0.153 0.000 2.364 95 D HA 0.379 5.020 4.640 0.001 0.000 0.236 95 D C 0.900 176.821 176.300 -0.631 0.000 1.221 95 D CA 1.223 55.096 54.000 -0.212 0.000 0.891 95 D CB 0.397 41.213 40.800 0.027 0.000 1.190 95 D HN 0.503 nan 8.370 nan 0.000 0.449 96 G N 0.857 109.305 108.800 -0.587 0.000 2.392 96 G HA2 0.145 4.106 3.960 0.001 0.000 0.260 96 G HA3 0.145 4.106 3.960 0.001 0.000 0.260 96 G C -1.523 173.261 174.900 -0.194 0.000 1.226 96 G CA -0.662 43.986 45.100 -0.754 0.000 0.913 96 G HN 0.506 nan 8.290 nan 0.000 0.483 97 D N 0.246 120.580 120.400 -0.110 0.000 2.283 97 D HA 0.252 4.892 4.640 0.001 0.000 0.248 97 D C 1.263 177.518 176.300 -0.075 0.000 1.072 97 D CA -0.160 53.824 54.000 -0.027 0.000 0.929 97 D CB 2.250 43.053 40.800 0.005 0.000 1.182 97 D HN 0.629 nan 8.370 nan 0.000 0.433 98 E N 0.740 120.895 120.200 -0.074 0.000 2.108 98 E HA -0.241 4.109 4.350 0.001 0.000 0.203 98 E C 1.728 178.307 176.600 -0.034 0.000 1.022 98 E CA 1.341 57.681 56.400 -0.100 0.000 0.823 98 E CB 0.064 29.733 29.700 -0.051 0.000 0.744 98 E HN 0.268 nan 8.360 nan 0.000 0.456 99 V N 1.281 121.208 119.914 0.022 0.000 2.392 99 V HA -0.265 3.855 4.120 0.001 0.000 0.249 99 V C 1.491 177.637 176.094 0.086 0.000 1.059 99 V CA 2.572 64.933 62.300 0.102 0.000 1.051 99 V CB -0.406 31.472 31.823 0.092 0.000 0.658 99 V HN 0.350 nan 8.190 nan 0.000 0.455 100 D N 0.261 120.653 120.400 -0.014 0.000 2.077 100 D HA -0.135 4.505 4.640 0.001 0.000 0.196 100 D C 2.273 178.550 176.300 -0.037 0.000 0.986 100 D CA 2.255 56.226 54.000 -0.048 0.000 0.829 100 D CB -0.759 39.961 40.800 -0.134 0.000 0.983 100 D HN 0.572 nan 8.370 nan 0.000 0.453 101 V N -0.212 119.648 119.914 -0.091 0.000 2.324 101 V HA -0.305 3.815 4.120 0.001 0.000 0.250 101 V C 2.148 178.162 176.094 -0.134 0.000 1.060 101 V CA 1.767 64.006 62.300 -0.101 0.000 1.042 101 V CB -0.987 30.774 31.823 -0.103 0.000 0.650 101 V HN 0.108 nan 8.190 nan 0.000 0.450 102 Q N -1.052 118.645 119.800 -0.172 0.000 2.050 102 Q HA -0.181 4.159 4.340 0.001 0.000 0.202 102 Q C 2.072 177.825 176.000 -0.413 0.000 0.980 102 Q CA 2.069 57.657 55.803 -0.359 0.000 0.840 102 Q CB -0.341 28.232 28.738 -0.276 0.000 0.898 102 Q HN 0.906 nan 8.270 nan 0.000 0.424 103 W N 1.776 122.865 121.300 -0.352 0.000 2.355 103 W HA -0.169 4.492 4.660 0.001 0.000 0.309 103 W C 1.736 178.129 176.519 -0.211 0.000 1.206 103 W CA 1.364 58.505 57.345 -0.341 0.000 1.284 103 W CB -0.141 29.202 29.460 -0.196 0.000 1.145 103 W HN 0.087 nan 8.180 nan 0.000 0.502 104 R N 0.021 120.571 120.500 0.082 0.000 2.081 104 R HA -0.214 4.127 4.340 0.001 0.000 0.235 104 R C 2.351 178.571 176.300 -0.134 0.000 1.131 104 R CA 1.918 58.028 56.100 0.016 0.000 0.960 104 R CB -0.937 29.357 30.300 -0.010 0.000 0.856 104 R HN 0.189 nan 8.270 nan 0.000 0.436 105 L N 0.143 121.215 121.223 -0.252 0.000 1.973 105 L HA -0.127 4.214 4.340 0.001 0.000 0.208 105 L C 2.011 178.509 176.870 -0.622 0.000 1.073 105 L CA 1.616 56.224 54.840 -0.386 0.000 0.746 105 L CB -0.616 41.176 42.059 -0.446 0.000 0.891 105 L HN -0.081 nan 8.230 nan 0.000 0.433 106 V N -0.305 119.097 119.914 -0.853 0.000 2.546 106 V HA -0.333 3.788 4.120 0.001 0.000 0.254 106 V C 1.990 177.644 176.094 -0.735 0.000 1.076 106 V CA 2.201 63.899 62.300 -1.003 0.000 1.087 106 V CB -1.056 29.975 31.823 -1.321 0.000 0.674 106 V HN 0.645 nan 8.190 nan 0.000 0.470 107 H N -2.048 116.691 119.070 -0.552 0.000 2.551 107 H HA 0.178 4.735 4.556 0.001 0.000 0.271 107 H C 0.821 176.041 175.328 -0.179 0.000 0.984 107 H CA -0.237 55.578 56.048 -0.388 0.000 1.164 107 H CB 0.060 29.511 29.762 -0.518 0.000 1.437 107 H HN 0.259 nan 8.280 nan 0.000 0.550 108 D N 0.639 121.006 120.400 -0.055 0.000 2.346 108 D HA -0.068 4.572 4.640 0.001 0.000 0.267 108 D C 1.366 177.695 176.300 0.049 0.000 1.320 108 D CA 0.225 54.230 54.000 0.008 0.000 0.951 108 D CB 0.831 41.635 40.800 0.008 0.000 1.079 108 D HN 0.200 nan 8.370 nan 0.000 0.509 109 S N 3.236 118.953 115.700 0.029 0.000 2.356 109 S HA -0.169 4.302 4.470 0.001 0.000 0.223 109 S C 1.776 176.393 174.600 0.029 0.000 1.032 109 S CA 1.421 59.634 58.200 0.023 0.000 1.005 109 S CB 0.087 63.294 63.200 0.012 0.000 0.867 109 S HN 0.573 nan 8.310 nan 0.000 0.449 110 A N 0.803 123.642 122.820 0.031 0.000 2.132 110 A HA 0.222 4.542 4.320 0.001 0.000 0.213 110 A C 1.700 179.309 177.584 0.042 0.000 1.154 110 A CA 0.623 52.679 52.037 0.031 0.000 0.753 110 A CB -0.186 18.826 19.000 0.019 0.000 0.826 110 A HN 0.608 nan 8.150 nan 0.000 0.469 111 N N -2.530 116.209 118.700 0.065 0.000 2.205 111 N HA 0.218 4.959 4.740 0.001 0.000 0.201 111 N C 0.339 175.953 175.510 0.172 0.000 1.128 111 N CA 0.431 53.534 53.050 0.088 0.000 0.867 111 N CB 0.539 39.072 38.487 0.076 0.000 0.996 111 N HN 0.559 nan 8.380 nan 0.000 0.503 112 F N -0.212 119.716 119.950 -0.036 0.000 1.890 112 F HA 0.342 4.870 4.527 0.001 0.000 0.261 112 F C 1.537 177.300 175.800 -0.061 0.000 1.066 112 F CA -0.165 57.805 58.000 -0.050 0.000 1.235 112 F CB -0.117 38.825 39.000 -0.098 0.000 1.548 112 F HN -0.258 nan 8.300 nan 0.000 0.593 113 I N 1.379 121.963 120.570 0.024 0.000 2.179 113 I HA -0.255 3.915 4.170 0.001 0.000 0.242 113 I C 2.161 178.191 176.117 -0.144 0.000 1.088 113 I CA 1.209 62.450 61.300 -0.097 0.000 1.357 113 I CB -0.445 37.538 38.000 -0.029 0.000 1.051 113 I HN 0.107 nan 8.210 nan 0.000 0.409 114 K N 0.505 120.866 120.400 -0.064 0.000 2.025 114 K HA -0.112 4.208 4.320 0.001 0.000 0.207 114 K C -0.166 176.456 176.600 0.037 0.000 1.049 114 K CA 1.615 57.891 56.287 -0.019 0.000 0.933 114 K CB -1.515 31.029 32.500 0.073 0.000 0.714 114 K HN 0.248 nan 8.250 nan 0.000 0.438 115 P HA -0.094 nan 4.420 nan 0.000 0.216 115 P C 1.363 178.603 177.300 -0.100 0.000 1.153 115 P CA 1.809 64.905 63.100 -0.007 0.000 0.848 115 P CB -0.170 31.504 31.700 -0.044 0.000 0.787 116 T N -4.448 109.943 114.554 -0.271 0.000 2.951 116 T HA 0.002 4.352 4.350 0.001 0.000 0.268 116 T C 1.938 176.496 174.700 -0.237 0.000 1.073 116 T CA 1.186 63.095 62.100 -0.318 0.000 1.134 116 T CB -1.104 67.413 68.868 -0.585 0.000 0.884 116 T HN -0.086 nan 8.240 nan 0.000 0.479 117 S N 0.522 116.078 115.700 -0.241 0.000 2.371 117 S HA 0.056 4.527 4.470 0.001 0.000 0.224 117 S C 1.626 176.063 174.600 -0.272 0.000 1.029 117 S CA 0.619 58.664 58.200 -0.257 0.000 0.978 117 S CB -0.541 62.477 63.200 -0.304 0.000 0.833 117 S HN 0.543 nan 8.310 nan 0.000 0.466 118 Y N 1.449 121.608 120.300 -0.234 0.000 2.224 118 Y HA -0.045 4.505 4.550 0.001 0.000 0.289 118 Y C 2.158 177.834 175.900 -0.373 0.000 1.146 118 Y CA 0.443 58.299 58.100 -0.407 0.000 1.182 118 Y CB -0.550 37.696 38.460 -0.357 0.000 0.983 118 Y HN 0.190 nan 8.280 nan 0.000 0.524 119 L N 0.141 121.356 121.223 -0.013 0.000 2.017 119 L HA -0.153 4.188 4.340 0.001 0.000 0.208 119 L C 2.332 179.207 176.870 0.008 0.000 1.073 119 L CA 2.122 56.974 54.840 0.022 0.000 0.745 119 L CB -1.316 40.694 42.059 -0.082 0.000 0.894 119 L HN 0.115 nan 8.230 nan 0.000 0.432 120 A N -1.169 121.624 122.820 -0.045 0.000 1.865 120 A HA -0.325 3.996 4.320 0.001 0.000 0.217 120 A C 2.332 179.991 177.584 0.126 0.000 1.191 120 A CA 1.937 53.975 52.037 0.003 0.000 0.623 120 A CB -1.182 17.713 19.000 -0.175 0.000 0.826 120 A HN 0.757 nan 8.150 nan 0.000 0.444 121 H N -1.770 117.248 119.070 -0.086 0.000 2.290 121 H HA -0.198 4.359 4.556 0.001 0.000 0.298 121 H C 1.777 177.121 175.328 0.026 0.000 1.087 121 H CA 2.352 58.338 56.048 -0.102 0.000 1.291 121 H CB -0.413 29.196 29.762 -0.254 0.000 1.369 121 H HN 0.495 nan 8.280 nan 0.000 0.492 122 Y N 0.181 120.522 120.300 0.067 0.000 2.315 122 Y HA -0.110 4.440 4.550 0.001 0.000 0.288 122 Y C 2.325 178.269 175.900 0.072 0.000 1.154 122 Y CA 0.888 59.002 58.100 0.023 0.000 1.229 122 Y CB -0.489 38.022 38.460 0.083 0.000 0.980 122 Y HN 0.264 nan 8.280 nan 0.000 0.540 123 L N -1.416 119.901 121.223 0.157 0.000 2.599 123 L HA 0.152 4.493 4.340 0.001 0.000 0.230 123 L C 1.683 178.540 176.870 -0.023 0.000 1.141 123 L CA 0.848 55.693 54.840 0.009 0.000 0.877 123 L CB -0.378 41.455 42.059 -0.376 0.000 1.009 123 L HN 0.434 nan 8.230 nan 0.000 0.447 124 G N -1.609 107.171 108.800 -0.034 0.000 2.179 124 G HA2 -0.287 3.673 3.960 0.001 0.000 0.220 124 G HA3 -0.287 3.673 3.960 0.001 0.000 0.220 124 G C -0.032 174.666 174.900 -0.338 0.000 0.990 124 G CA -0.626 44.358 45.100 -0.192 0.000 0.646 124 G HN 0.187 nan 8.290 nan 0.000 0.517 125 Y N 1.504 121.677 120.300 -0.212 0.000 2.425 125 Y HA 0.494 5.044 4.550 0.001 0.000 0.331 125 Y C 1.098 176.780 175.900 -0.363 0.000 1.157 125 Y CA 0.632 58.589 58.100 -0.237 0.000 1.372 125 Y CB 0.982 39.365 38.460 -0.128 0.000 1.253 125 Y HN 0.459 nan 8.280 nan 0.000 0.536 126 A N 2.819 125.349 122.820 -0.483 0.000 2.286 126 A HA 0.397 4.718 4.320 0.001 0.000 0.286 126 A C -0.814 176.537 177.584 -0.387 0.000 1.097 126 A CA -0.710 50.881 52.037 -0.742 0.000 0.821 126 A CB -0.162 17.998 19.000 -1.399 0.000 1.076 126 A HN 1.015 nan 8.150 nan 0.000 0.490 127 W N 0.060 121.335 121.300 -0.041 0.000 7.193 127 W HA -0.096 4.564 4.660 0.001 0.000 0.423 127 W C -0.210 176.287 176.519 -0.036 0.000 1.702 127 W CA -0.029 57.314 57.345 -0.003 0.000 1.167 127 W CB -1.662 27.805 29.460 0.013 0.000 2.934 127 W HN 0.357 nan 8.180 nan 0.000 1.576 128 V N 1.917 121.885 119.914 0.090 0.000 2.112 128 V HA 0.723 4.844 4.120 0.001 0.000 0.271 128 V C 0.996 177.067 176.094 -0.037 0.000 1.465 128 V CA 0.286 62.586 62.300 -0.000 0.000 1.419 128 V CB 0.129 31.912 31.823 -0.066 0.000 1.409 128 V HN 0.474 nan 8.190 nan 0.000 0.495 129 G N 0.910 109.732 108.800 0.038 0.000 2.387 129 G HA2 0.548 4.509 3.960 0.001 0.000 0.294 129 G HA3 0.548 4.509 3.960 0.001 0.000 0.294 129 G C -0.389 174.548 174.900 0.061 0.000 1.509 129 G CA -0.084 45.028 45.100 0.020 0.000 0.806 129 G HN 0.634 nan 8.290 nan 0.000 0.546 130 G N -0.661 108.172 108.800 0.056 0.000 2.562 130 G HA2 0.413 4.374 3.960 0.001 0.000 0.275 130 G HA3 0.413 4.374 3.960 0.001 0.000 0.275 130 G C 0.589 175.527 174.900 0.063 0.000 1.196 130 G CA -0.446 44.702 45.100 0.081 0.000 0.908 130 G HN 0.452 nan 8.290 nan 0.000 0.524 131 N N -0.618 118.105 118.700 0.039 0.000 2.512 131 N HA -0.051 4.690 4.740 0.001 0.000 0.183 131 N C 0.774 176.142 175.510 -0.237 0.000 1.073 131 N CA 0.676 53.649 53.050 -0.129 0.000 0.911 131 N CB 0.018 38.367 38.487 -0.231 0.000 0.964 131 N HN 0.569 nan 8.380 nan 0.000 0.447 132 H N -1.548 117.523 119.070 0.003 0.000 2.568 132 H HA 0.404 4.961 4.556 0.001 0.000 0.302 132 H C -0.160 175.185 175.328 0.027 0.000 1.065 132 H CA -0.260 55.795 56.048 0.012 0.000 1.140 132 H CB 0.360 30.131 29.762 0.015 0.000 1.474 132 H HN -0.102 nan 8.280 nan 0.000 0.545 133 S N -0.137 115.616 115.700 0.089 0.000 2.547 133 S HA 0.180 4.650 4.470 0.001 0.000 0.270 133 S C -0.137 174.471 174.600 0.014 0.000 1.150 133 S CA -0.745 57.510 58.200 0.092 0.000 0.850 133 S CB 1.316 64.595 63.200 0.131 0.000 1.118 133 S HN 0.405 nan 8.310 nan 0.000 0.461 134 Q N 1.047 120.803 119.800 -0.073 0.000 2.282 134 Q HA 0.253 4.593 4.340 0.001 0.000 0.206 134 Q C -0.852 174.874 176.000 -0.457 0.000 0.878 134 Q CA 0.299 55.934 55.803 -0.280 0.000 0.944 134 Q CB 0.369 28.848 28.738 -0.432 0.000 1.100 134 Q HN 0.612 nan 8.270 nan 0.000 0.509 135 Y N -0.111 120.187 120.300 -0.003 0.000 2.496 135 Y HA 0.363 4.913 4.550 0.001 0.000 0.331 135 Y C 0.276 176.089 175.900 -0.145 0.000 1.140 135 Y CA -1.516 56.555 58.100 -0.048 0.000 1.166 135 Y CB 1.114 39.567 38.460 -0.012 0.000 1.249 135 Y HN -0.278 nan 8.280 nan 0.000 0.479 136 V N 1.867 121.697 119.914 -0.140 0.000 2.572 136 V HA 0.310 4.431 4.120 0.001 0.000 0.291 136 V C 0.880 176.690 176.094 -0.473 0.000 1.039 136 V CA 1.132 63.157 62.300 -0.458 0.000 1.055 136 V CB 0.382 31.630 31.823 -0.958 0.000 0.969 136 V HN 1.078 nan 8.190 nan 0.000 0.482 137 G N 3.694 112.296 108.800 -0.330 0.000 2.159 137 G HA2 -0.188 3.772 3.960 0.001 0.000 0.256 137 G HA3 -0.188 3.772 3.960 0.001 0.000 0.256 137 G C 0.023 174.857 174.900 -0.110 0.000 0.977 137 G CA 0.239 45.194 45.100 -0.242 0.000 0.652 137 G HN 0.671 nan 8.290 nan 0.000 0.531 138 E N -0.183 119.986 120.200 -0.052 0.000 2.232 138 E HA 0.477 4.827 4.350 0.001 0.000 0.264 138 E C 0.173 176.786 176.600 0.021 0.000 0.973 138 E CA -0.477 55.926 56.400 0.004 0.000 0.849 138 E CB 0.942 30.677 29.700 0.058 0.000 1.198 138 E HN 0.118 nan 8.360 nan 0.000 0.407 139 D N 1.122 121.541 120.400 0.031 0.000 2.735 139 D HA -0.173 4.467 4.640 0.001 0.000 0.235 139 D C -0.931 175.385 176.300 0.026 0.000 1.175 139 D CA 0.658 54.680 54.000 0.037 0.000 0.683 139 D CB -0.369 40.486 40.800 0.091 0.000 1.008 139 D HN 0.226 nan 8.370 nan 0.000 0.416 140 M N 0.726 120.327 119.600 0.002 0.000 2.478 140 M HA 0.423 4.903 4.480 0.001 0.000 0.327 140 M C 0.105 176.400 176.300 -0.009 0.000 1.187 140 M CA -0.351 54.944 55.300 -0.009 0.000 1.022 140 M CB 1.518 34.096 32.600 -0.036 0.000 1.629 140 M HN -0.018 nan 8.290 nan 0.000 0.461 141 D N 2.013 122.411 120.400 -0.003 0.000 2.375 141 D HA 0.507 5.147 4.640 0.001 0.000 0.247 141 D C -0.728 175.567 176.300 -0.009 0.000 1.061 141 D CA -0.245 53.757 54.000 0.004 0.000 0.834 141 D CB 2.361 43.176 40.800 0.024 0.000 1.247 141 D HN 0.423 nan 8.370 nan 0.000 0.489 142 V N 0.065 119.960 119.914 -0.031 0.000 2.384 142 V HA 0.803 4.923 4.120 0.001 0.000 0.287 142 V C 0.049 176.193 176.094 0.083 0.000 1.020 142 V CA -0.525 61.747 62.300 -0.046 0.000 0.850 142 V CB 1.044 32.661 31.823 -0.344 0.000 0.987 142 V HN 0.595 nan 8.190 nan 0.000 0.436 143 T N 2.482 117.114 114.554 0.129 0.000 2.916 143 T HA 0.661 5.012 4.350 0.001 0.000 0.292 143 T C -0.038 174.723 174.700 0.101 0.000 1.055 143 T CA -0.982 61.197 62.100 0.133 0.000 1.009 143 T CB 2.136 71.048 68.868 0.074 0.000 1.118 143 T HN 0.727 nan 8.240 nan 0.000 0.497 144 R N 0.409 120.891 120.500 -0.029 0.000 2.652 144 R HA 0.412 4.752 4.340 0.001 0.000 0.272 144 R C -0.460 175.746 176.300 -0.156 0.000 1.162 144 R CA -0.235 55.697 56.100 -0.280 0.000 1.199 144 R CB 0.158 30.264 30.300 -0.324 0.000 1.166 144 R HN 0.941 nan 8.270 nan 0.000 0.597 145 D N -1.264 119.017 120.400 -0.198 0.000 3.964 145 D HA 0.176 4.816 4.640 0.001 0.000 0.269 145 D C 0.278 176.514 176.300 -0.107 0.000 1.500 145 D CA 0.826 54.764 54.000 -0.103 0.000 0.770 145 D CB -0.300 40.467 40.800 -0.056 0.000 1.356 145 D HN 0.756 nan 8.370 nan 0.000 0.755 146 G N 0.671 109.388 108.800 -0.138 0.000 2.785 146 G HA2 -0.211 3.749 3.960 0.001 0.000 0.218 146 G HA3 -0.211 3.749 3.960 0.001 0.000 0.218 146 G C 0.196 174.998 174.900 -0.163 0.000 1.251 146 G CA 0.143 45.179 45.100 -0.106 0.000 1.129 146 G HN 0.182 nan 8.290 nan 0.000 0.573 147 D N 1.946 122.281 120.400 -0.108 0.000 2.349 147 D HA 0.307 4.947 4.640 0.001 0.000 0.214 147 D C 1.209 177.435 176.300 -0.123 0.000 1.063 147 D CA 1.001 54.943 54.000 -0.098 0.000 0.847 147 D CB 0.598 41.414 40.800 0.027 0.000 0.933 147 D HN 0.617 nan 8.370 nan 0.000 0.513 148 G N 0.047 108.754 108.800 -0.156 0.000 2.461 148 G HA2 0.422 4.383 3.960 0.001 0.000 0.329 148 G HA3 0.422 4.383 3.960 0.001 0.000 0.329 148 G C -1.122 173.598 174.900 -0.299 0.000 1.170 148 G CA -0.601 44.465 45.100 -0.056 0.000 0.935 148 G HN -0.030 nan 8.290 nan 0.000 0.492 149 W N -0.749 120.610 121.300 0.098 0.000 2.655 149 W HA 0.618 5.278 4.660 0.001 0.000 0.358 149 W C -0.642 175.886 176.519 0.015 0.000 1.100 149 W CA -0.735 56.629 57.345 0.031 0.000 1.195 149 W CB 2.304 31.756 29.460 -0.012 0.000 1.403 149 W HN 0.299 nan 8.180 nan 0.000 0.589 150 V N 3.070 123.135 119.914 0.252 0.000 2.567 150 V HA 0.352 4.472 4.120 0.001 0.000 0.298 150 V C -0.660 175.485 176.094 0.085 0.000 1.047 150 V CA -0.883 61.495 62.300 0.130 0.000 0.880 150 V CB 1.267 33.137 31.823 0.077 0.000 1.009 150 V HN 0.375 nan 8.190 nan 0.000 0.429 151 I N 5.357 125.960 120.570 0.055 0.000 2.328 151 I HA 0.659 4.829 4.170 0.001 0.000 0.287 151 I C 0.008 176.121 176.117 -0.007 0.000 1.012 151 I CA -0.281 61.020 61.300 0.003 0.000 1.195 151 I CB 1.190 39.184 38.000 -0.010 0.000 1.350 151 I HN 0.576 nan 8.210 nan 0.000 0.464 152 R N 4.166 124.665 120.500 -0.003 0.000 2.626 152 R HA 0.527 4.867 4.340 0.001 0.000 0.274 152 R C -0.379 175.929 176.300 0.013 0.000 1.031 152 R CA -0.653 55.450 56.100 0.006 0.000 0.898 152 R CB 1.919 32.233 30.300 0.023 0.000 1.222 152 R HN 0.707 nan 8.270 nan 0.000 0.455 153 G N 2.663 111.475 108.800 0.021 0.000 2.414 153 G HA2 -0.098 3.863 3.960 0.001 0.000 0.236 153 G HA3 -0.098 3.863 3.960 0.001 0.000 0.236 153 G C -0.190 174.738 174.900 0.047 0.000 1.293 153 G CA -0.315 44.806 45.100 0.035 0.000 0.869 153 G HN 0.675 nan 8.290 nan 0.000 0.556 154 N N 0.967 119.705 118.700 0.064 0.000 2.454 154 N HA -0.067 4.673 4.740 0.001 0.000 0.260 154 N C 0.486 176.049 175.510 0.088 0.000 1.218 154 N CA 0.007 53.105 53.050 0.080 0.000 0.904 154 N CB 0.681 39.229 38.487 0.102 0.000 1.065 154 N HN 0.491 nan 8.380 nan 0.000 0.462 155 N N 1.997 120.736 118.700 0.064 0.000 2.205 155 N HA 0.069 4.810 4.740 0.001 0.000 0.201 155 N C -0.909 174.626 175.510 0.041 0.000 1.128 155 N CA -0.259 52.812 53.050 0.036 0.000 0.867 155 N CB 0.256 38.754 38.487 0.019 0.000 0.996 155 N HN 0.526 nan 8.380 nan 0.000 0.503 156 D N -0.098 120.356 120.400 0.091 0.000 2.363 156 D HA 0.339 4.979 4.640 0.001 0.000 0.240 156 D C 1.356 177.709 176.300 0.090 0.000 1.236 156 D CA 1.146 55.203 54.000 0.095 0.000 0.927 156 D CB 0.377 41.248 40.800 0.117 0.000 1.150 156 D HN 0.316 nan 8.370 nan 0.000 0.458 157 G N -0.676 108.157 108.800 0.055 0.000 2.598 157 G HA2 0.123 4.083 3.960 0.001 0.000 0.244 157 G HA3 0.123 4.083 3.960 0.001 0.000 0.244 157 G C 0.132 175.004 174.900 -0.046 0.000 1.302 157 G CA -0.228 44.874 45.100 0.003 0.000 0.903 157 G HN 0.804 nan 8.290 nan 0.000 0.575 158 G N -1.565 107.184 108.800 -0.085 0.000 2.481 158 G HA2 0.808 4.769 3.960 0.001 0.000 0.315 158 G HA3 0.808 4.769 3.960 0.001 0.000 0.315 158 G C 0.045 174.863 174.900 -0.136 0.000 1.231 158 G CA 0.602 45.646 45.100 -0.094 0.000 0.968 158 G HN 2.160 nan 8.290 nan 0.000 0.482 159 c N -0.403 118.108 118.600 -0.150 0.000 2.973 159 c HA 0.889 5.459 4.570 0.001 0.000 0.329 159 c C -0.982 172.993 174.090 -0.192 0.000 1.327 159 c CA -1.149 55.063 56.329 -0.195 0.000 1.632 159 c CB 1.983 44.334 42.510 -0.264 0.000 2.098 159 c HN 0.588 nan 8.230 nan 0.000 0.469 160 D N -0.244 120.026 120.400 -0.216 0.000 2.457 160 D HA 0.718 5.359 4.640 0.001 0.000 0.240 160 D C 0.066 176.220 176.300 -0.243 0.000 1.041 160 D CA 0.963 54.864 54.000 -0.164 0.000 0.861 160 D CB 1.820 42.573 40.800 -0.078 0.000 1.394 160 D HN 1.617 nan 8.370 nan 0.000 0.473 161 G N 0.636 109.370 108.800 -0.110 0.000 2.525 161 G HA2 -0.112 3.848 3.960 0.001 0.000 0.685 161 G HA3 -0.112 3.848 3.960 0.001 0.000 0.685 161 G C -1.189 173.761 174.900 0.083 0.000 1.285 161 G CA -1.138 43.987 45.100 0.041 0.000 0.849 161 G HN 0.353 nan 8.290 nan 0.000 0.653 162 Y N 2.909 123.307 120.300 0.163 0.000 2.677 162 Y HA 0.382 4.933 4.550 0.001 0.000 0.335 162 Y C 1.792 177.916 175.900 0.374 0.000 1.162 162 Y CA 1.258 59.445 58.100 0.144 0.000 1.483 162 Y CB 0.156 38.619 38.460 0.005 0.000 1.209 162 Y HN 0.863 nan 8.280 nan 0.000 0.528 163 R N 2.154 122.446 120.500 -0.346 0.000 3.651 163 R HA -0.261 4.079 4.340 0.001 0.000 0.292 163 R C 1.230 177.507 176.300 -0.038 0.000 1.161 163 R CA 0.800 56.804 56.100 -0.159 0.000 0.787 163 R CB -2.530 27.704 30.300 -0.109 0.000 1.249 163 R HN 0.892 nan 8.270 nan 0.000 0.476 164 c N -3.300 115.001 118.600 -0.498 0.000 2.443 164 c HA 0.078 4.649 4.570 0.001 0.000 0.290 164 c C 2.323 176.070 174.090 -0.572 0.000 1.476 164 c CA 0.308 55.884 56.329 -1.256 0.000 1.772 164 c CB -0.976 40.800 42.510 -1.224 0.000 1.714 164 c HN 0.616 nan 8.230 nan 0.000 0.562 165 G N -0.203 108.442 108.800 -0.259 0.000 2.511 165 G HA2 0.016 3.977 3.960 0.001 0.000 0.217 165 G HA3 0.016 3.977 3.960 0.001 0.000 0.217 165 G C 0.468 175.365 174.900 -0.004 0.000 1.133 165 G CA 0.301 45.332 45.100 -0.115 0.000 0.792 165 G HN 0.590 nan 8.290 nan 0.000 0.539 166 D N 1.885 122.345 120.400 0.100 0.000 2.508 166 D HA 0.157 4.798 4.640 0.001 0.000 0.224 166 D C 0.137 176.582 176.300 0.242 0.000 1.171 166 D CA 0.218 54.362 54.000 0.241 0.000 1.006 166 D CB 0.622 41.720 40.800 0.497 0.000 1.073 166 D HN 0.029 nan 8.370 nan 0.000 0.513 167 K N 0.880 121.368 120.400 0.147 0.000 2.270 167 K HA 0.178 4.498 4.320 0.001 0.000 0.276 167 K C 0.499 177.168 176.600 0.113 0.000 1.023 167 K CA -0.251 56.124 56.287 0.146 0.000 0.955 167 K CB 0.772 33.325 32.500 0.089 0.000 0.975 167 K HN 0.056 nan 8.250 nan 0.000 0.471 168 T N 1.684 116.290 114.554 0.088 0.000 2.832 168 T HA 0.337 4.688 4.350 0.001 0.000 0.296 168 T C -0.081 174.620 174.700 0.003 0.000 0.968 168 T CA -0.331 61.794 62.100 0.042 0.000 1.107 168 T CB 0.712 69.589 68.868 0.016 0.000 0.916 168 T HN 0.549 nan 8.240 nan 0.000 0.517 169 A N 4.080 126.899 122.820 -0.002 0.000 2.305 169 A HA 0.727 5.048 4.320 0.001 0.000 0.322 169 A C -0.227 177.326 177.584 -0.051 0.000 1.187 169 A CA -0.717 51.313 52.037 -0.011 0.000 0.825 169 A CB 0.416 19.429 19.000 0.021 0.000 1.164 169 A HN 0.867 nan 8.150 nan 0.000 0.498 170 I N 2.540 123.085 120.570 -0.041 0.000 2.354 170 I HA 0.238 4.408 4.170 0.001 0.000 0.286 170 I C -0.345 175.792 176.117 0.032 0.000 1.007 170 I CA -0.307 60.967 61.300 -0.045 0.000 1.167 170 I CB 1.487 39.434 38.000 -0.089 0.000 1.320 170 I HN 0.629 nan 8.210 nan 0.000 0.458 171 K N 5.875 126.302 120.400 0.046 0.000 2.185 171 K HA 0.637 4.957 4.320 0.001 0.000 0.269 171 K C -0.967 175.709 176.600 0.126 0.000 0.987 171 K CA -0.684 55.657 56.287 0.089 0.000 0.865 171 K CB 2.511 35.044 32.500 0.055 0.000 1.090 171 K HN 0.266 nan 8.250 nan 0.000 0.450 172 V N 2.132 122.159 119.914 0.189 0.000 2.459 172 V HA 0.493 4.614 4.120 0.001 0.000 0.295 172 V C -0.135 176.044 176.094 0.142 0.000 1.029 172 V CA -0.517 61.885 62.300 0.171 0.000 0.874 172 V CB 1.168 33.114 31.823 0.205 0.000 0.985 172 V HN 1.043 nan 8.190 nan 0.000 0.438 173 S N 2.437 118.126 115.700 -0.019 0.000 2.727 173 S HA 0.465 4.936 4.470 0.001 0.000 0.278 173 S C -0.175 174.366 174.600 -0.100 0.000 1.186 173 S CA -0.366 57.844 58.200 0.016 0.000 0.836 173 S CB 1.184 64.411 63.200 0.044 0.000 1.186 173 S HN 1.045 nan 8.310 nan 0.000 0.499 174 N N 0.155 118.873 118.700 0.030 0.000 2.650 174 N HA -0.169 4.572 4.740 0.001 0.000 0.272 174 N C -1.324 174.165 175.510 -0.035 0.000 1.058 174 N CA 0.010 53.072 53.050 0.020 0.000 0.765 174 N CB -1.078 37.395 38.487 -0.023 0.000 0.902 174 N HN 0.443 nan 8.380 nan 0.000 0.551 175 F N 0.911 120.874 119.950 0.022 0.000 2.380 175 F HA 0.593 5.121 4.527 0.001 0.000 0.325 175 F C 1.069 176.696 175.800 -0.288 0.000 1.136 175 F CA 0.508 58.447 58.000 -0.102 0.000 1.171 175 F CB 1.501 40.440 39.000 -0.102 0.000 1.230 175 F HN 0.306 nan 8.300 nan 0.000 0.554 176 A N 1.950 124.561 122.820 -0.349 0.000 2.566 176 A HA 0.715 5.035 4.320 0.001 0.000 0.297 176 A C -2.254 175.004 177.584 -0.542 0.000 1.059 176 A CA -0.652 51.161 52.037 -0.374 0.000 0.691 176 A CB 0.723 19.658 19.000 -0.108 0.000 1.282 176 A HN 0.598 nan 8.150 nan 0.000 0.401 177 Y N 0.782 121.166 120.300 0.140 0.000 2.332 177 Y HA 0.540 5.091 4.550 0.001 0.000 0.326 177 Y C 0.092 176.035 175.900 0.071 0.000 0.978 177 Y CA -1.094 57.071 58.100 0.108 0.000 1.205 177 Y CB 1.767 40.287 38.460 0.100 0.000 1.131 177 Y HN 0.714 nan 8.280 nan 0.000 0.462 178 N N 3.637 122.426 118.700 0.148 0.000 2.457 178 N HA 0.284 5.025 4.740 0.001 0.000 0.250 178 N C -1.272 174.262 175.510 0.040 0.000 0.982 178 N CA -0.506 52.595 53.050 0.086 0.000 0.941 178 N CB 0.744 39.261 38.487 0.050 0.000 1.120 178 N HN 0.793 nan 8.380 nan 0.000 0.505 179 L N 2.772 123.991 121.223 -0.008 0.000 2.418 179 L HA 0.216 4.556 4.340 0.001 0.000 0.274 179 L C -0.308 176.474 176.870 -0.146 0.000 1.135 179 L CA -0.193 54.570 54.840 -0.128 0.000 0.870 179 L CB 0.322 42.185 42.059 -0.326 0.000 1.154 179 L HN 0.587 nan 8.230 nan 0.000 0.462 180 D N 6.824 127.162 120.400 -0.104 0.000 2.380 180 D HA 0.269 4.910 4.640 0.001 0.000 0.230 180 D C -1.813 174.405 176.300 -0.136 0.000 1.154 180 D CA -2.181 51.753 54.000 -0.110 0.000 0.859 180 D CB 1.599 42.375 40.800 -0.040 0.000 1.045 180 D HN 0.301 nan 8.370 nan 0.000 0.495 181 P HA -0.083 nan 4.420 nan 0.000 0.219 181 P C 0.356 177.586 177.300 -0.117 0.000 1.146 181 P CA 0.816 63.563 63.100 -0.588 0.000 0.808 181 P CB 0.309 31.237 31.700 -1.287 0.000 0.779 182 D N -1.370 118.971 120.400 -0.098 0.000 2.347 182 D HA -0.033 4.607 4.640 0.001 0.000 0.213 182 D C 1.492 177.795 176.300 0.005 0.000 0.985 182 D CA 0.850 54.830 54.000 -0.034 0.000 0.879 182 D CB -0.295 40.473 40.800 -0.053 0.000 0.919 182 D HN 0.268 nan 8.370 nan 0.000 0.526 183 S N 0.132 115.851 115.700 0.032 0.000 2.650 183 S HA -0.022 4.449 4.470 0.001 0.000 0.219 183 S C 0.599 175.160 174.600 -0.064 0.000 0.960 183 S CA -0.703 57.495 58.200 -0.004 0.000 0.925 183 S CB -0.768 62.440 63.200 0.014 0.000 0.775 183 S HN 0.086 nan 8.310 nan 0.000 0.525 184 F N 3.997 123.803 119.950 -0.241 0.000 2.635 184 F HA 0.291 4.819 4.527 0.001 0.000 0.379 184 F C 0.185 175.750 175.800 -0.392 0.000 1.094 184 F CA -0.056 57.586 58.000 -0.598 0.000 1.300 184 F CB 0.382 39.046 39.000 -0.559 0.000 1.035 184 F HN 0.382 nan 8.300 nan 0.000 0.581 185 K N 4.553 124.079 120.400 -1.457 0.000 2.575 185 K HA 0.511 4.831 4.320 0.001 0.000 0.279 185 K C -2.155 173.785 176.600 -1.099 0.000 0.969 185 K CA -0.876 54.700 56.287 -1.186 0.000 0.868 185 K CB 1.973 34.120 32.500 -0.589 0.000 1.457 185 K HN 0.887 nan 8.250 nan 0.000 0.426 186 H N -0.864 117.794 119.070 -0.687 0.000 2.985 186 H HA 0.662 5.219 4.556 0.001 0.000 0.360 186 H C -0.105 175.141 175.328 -0.137 0.000 1.221 186 H CA -0.660 55.213 56.048 -0.292 0.000 1.121 186 H CB 1.393 30.953 29.762 -0.338 0.000 1.854 186 H HN 0.809 nan 8.280 nan 0.000 0.551 187 G N -0.717 108.215 108.800 0.220 0.000 2.630 187 G HA2 0.164 4.125 3.960 0.001 0.000 0.223 187 G HA3 0.164 4.125 3.960 0.001 0.000 0.223 187 G C -0.689 174.361 174.900 0.251 0.000 1.434 187 G CA -0.791 44.403 45.100 0.157 0.000 1.057 187 G HN 0.756 nan 8.290 nan 0.000 0.570 188 D N 1.253 121.758 120.400 0.175 0.000 2.412 188 D HA 0.120 4.760 4.640 0.001 0.000 0.257 188 D C 0.851 177.272 176.300 0.203 0.000 1.217 188 D CA 0.170 54.265 54.000 0.158 0.000 0.897 188 D CB 1.361 42.227 40.800 0.111 0.000 1.132 188 D HN 0.189 nan 8.370 nan 0.000 0.493 189 V N 1.478 121.490 119.914 0.164 0.000 2.324 189 V HA 0.017 4.138 4.120 0.001 0.000 0.244 189 V C 1.023 177.222 176.094 0.174 0.000 1.144 189 V CA -0.322 62.080 62.300 0.171 0.000 1.158 189 V CB -0.561 31.276 31.823 0.023 0.000 1.254 189 V HN 0.307 nan 8.190 nan 0.000 0.492 190 T N 4.339 119.018 114.554 0.209 0.000 3.802 190 T HA 0.287 4.637 4.350 0.001 0.000 0.243 190 T C 0.148 174.925 174.700 0.127 0.000 0.934 190 T CA 0.672 62.858 62.100 0.145 0.000 0.931 190 T CB -0.838 68.109 68.868 0.132 0.000 1.167 190 T HN 0.992 nan 8.240 nan 0.000 0.655 191 Q N 0.217 120.098 119.800 0.135 0.000 3.111 191 Q HA 0.336 4.677 4.340 0.001 0.000 0.187 191 Q C -1.731 174.350 176.000 0.135 0.000 1.020 191 Q CA -0.396 55.477 55.803 0.117 0.000 1.085 191 Q CB 0.239 29.040 28.738 0.105 0.000 2.125 191 Q HN 0.136 nan 8.270 nan 0.000 0.556 192 S N 2.941 118.707 115.700 0.110 0.000 2.614 192 S HA 0.669 5.140 4.470 0.001 0.000 0.280 192 S C -2.210 172.447 174.600 0.096 0.000 1.111 192 S CA 0.226 58.494 58.200 0.113 0.000 0.847 192 S CB 0.755 64.017 63.200 0.103 0.000 1.079 192 S HN 0.927 nan 8.310 nan 0.000 0.452 193 D N 0.833 121.297 120.400 0.107 0.000 10.667 193 D HA -0.112 4.528 4.640 0.001 0.000 0.316 193 D C -0.793 175.572 176.300 0.107 0.000 3.128 193 D CA 0.015 54.076 54.000 0.102 0.000 2.794 193 D CB 0.063 40.910 40.800 0.080 0.000 1.214 193 D HN 0.679 nan 8.370 nan 0.000 0.940 194 R N 1.859 122.430 120.500 0.118 0.000 2.490 194 R HA 0.326 4.667 4.340 0.001 0.000 0.278 194 R C -0.410 175.966 176.300 0.128 0.000 1.069 194 R CA 0.036 56.217 56.100 0.135 0.000 1.080 194 R CB 0.807 31.177 30.300 0.118 0.000 1.030 194 R HN 0.504 nan 8.270 nan 0.000 0.491 195 Q N 3.348 123.251 119.800 0.172 0.000 2.386 195 Q HA 0.216 4.556 4.340 0.001 0.000 0.274 195 Q C -1.484 174.644 176.000 0.212 0.000 1.011 195 Q CA -1.049 54.857 55.803 0.172 0.000 0.867 195 Q CB 1.404 30.194 28.738 0.088 0.000 1.409 195 Q HN 0.461 nan 8.270 nan 0.000 0.395 196 L N 2.800 124.108 121.223 0.143 0.000 2.418 196 L HA 0.149 4.489 4.340 0.001 0.000 0.274 196 L C 0.326 177.105 176.870 -0.153 0.000 1.135 196 L CA 0.489 55.242 54.840 -0.146 0.000 0.870 196 L CB 1.306 43.293 42.059 -0.120 0.000 1.154 196 L HN 0.735 nan 8.230 nan 0.000 0.462 197 V N 1.471 121.244 119.914 -0.235 0.000 3.645 197 V HA 0.466 4.586 4.120 0.001 0.000 0.275 197 V C 0.310 176.280 176.094 -0.206 0.000 1.356 197 V CA 0.154 62.357 62.300 -0.161 0.000 1.051 197 V CB -0.767 30.995 31.823 -0.101 0.000 0.828 197 V HN 0.834 nan 8.190 nan 0.000 0.441 198 K N -0.231 119.992 120.400 -0.296 0.000 2.636 198 K HA 0.434 4.754 4.320 0.001 0.000 0.268 198 K C -1.521 174.878 176.600 -0.335 0.000 0.958 198 K CA -0.078 56.037 56.287 -0.286 0.000 0.875 198 K CB 1.781 34.099 32.500 -0.303 0.000 1.382 198 K HN 0.080 nan 8.250 nan 0.000 0.405 199 T N 2.575 116.974 114.554 -0.259 0.000 2.809 199 T HA 0.302 4.653 4.350 0.001 0.000 0.296 199 T C -0.899 173.669 174.700 -0.220 0.000 1.015 199 T CA -0.576 61.377 62.100 -0.245 0.000 0.954 199 T CB 1.094 69.848 68.868 -0.191 0.000 0.950 199 T HN 0.281 nan 8.240 nan 0.000 0.450 200 V N 4.850 124.621 119.914 -0.237 0.000 2.389 200 V HA 0.339 4.459 4.120 0.001 0.000 0.264 200 V C 0.289 176.273 176.094 -0.184 0.000 1.049 200 V CA -0.295 61.883 62.300 -0.204 0.000 0.932 200 V CB 0.962 32.656 31.823 -0.215 0.000 1.011 200 V HN 0.619 nan 8.190 nan 0.000 0.475 201 V N 4.764 124.568 119.914 -0.185 0.000 2.864 201 V HA 1.060 5.180 4.120 0.001 0.000 0.314 201 V C 0.448 176.392 176.094 -0.251 0.000 1.073 201 V CA 0.605 62.766 62.300 -0.232 0.000 0.956 201 V CB 2.095 33.764 31.823 -0.258 0.000 1.023 201 V HN 0.988 nan 8.190 nan 0.000 0.435 202 G N 3.003 111.582 108.800 -0.368 0.000 2.510 202 G HA2 0.430 4.390 3.960 0.001 0.000 0.277 202 G HA3 0.430 4.390 3.960 0.001 0.000 0.277 202 G C -2.393 172.172 174.900 -0.559 0.000 1.223 202 G CA -0.530 44.359 45.100 -0.352 0.000 0.887 202 G HN 0.650 nan 8.290 nan 0.000 0.485 203 W N -0.251 121.036 121.300 -0.020 0.000 3.127 203 W HA 0.706 5.366 4.660 0.001 0.000 0.330 203 W C -0.068 176.440 176.519 -0.018 0.000 1.187 203 W CA -0.610 56.725 57.345 -0.017 0.000 1.198 203 W CB 2.484 31.933 29.460 -0.018 0.000 1.408 203 W HN 0.784 nan 8.180 nan 0.000 0.529 204 A N 2.262 125.232 122.820 0.251 0.000 2.260 204 A HA 0.783 5.103 4.320 0.001 0.000 0.314 204 A C -1.017 176.644 177.584 0.128 0.000 1.257 204 A CA -0.526 51.595 52.037 0.140 0.000 0.871 204 A CB 0.464 19.520 19.000 0.093 0.000 1.166 204 A HN 0.470 nan 8.150 nan 0.000 0.522 205 V N 2.586 122.535 119.914 0.058 0.000 2.667 205 V HA 0.472 4.592 4.120 0.001 0.000 0.308 205 V C -0.330 175.749 176.094 -0.026 0.000 1.048 205 V CA -0.786 61.517 62.300 0.005 0.000 0.928 205 V CB 2.064 33.869 31.823 -0.031 0.000 1.004 205 V HN 0.923 nan 8.190 nan 0.000 0.444 206 N N 1.758 120.441 118.700 -0.028 0.000 2.573 206 N HA 0.272 5.012 4.740 0.001 0.000 0.262 206 N C -0.988 174.501 175.510 -0.035 0.000 1.029 206 N CA -0.396 52.633 53.050 -0.034 0.000 0.882 206 N CB 1.153 39.632 38.487 -0.012 0.000 1.204 206 N HN 0.584 nan 8.380 nan 0.000 0.519 207 D N 1.635 122.010 120.400 -0.041 0.000 2.741 207 D HA 0.113 4.754 4.640 0.001 0.000 0.233 207 D C -0.573 175.713 176.300 -0.025 0.000 1.160 207 D CA 0.281 54.259 54.000 -0.036 0.000 1.003 207 D CB 0.239 41.016 40.800 -0.039 0.000 1.064 207 D HN 0.429 nan 8.370 nan 0.000 0.503 208 S N 0.107 115.797 115.700 -0.016 0.000 2.607 208 S HA 0.236 4.706 4.470 0.001 0.000 0.273 208 S C -0.193 174.405 174.600 -0.002 0.000 1.148 208 S CA -0.670 57.526 58.200 -0.006 0.000 0.833 208 S CB 1.864 65.066 63.200 0.003 0.000 1.130 208 S HN -0.095 nan 8.310 nan 0.000 0.470 209 D N 1.019 121.421 120.400 0.002 0.000 2.339 209 D HA 0.183 4.823 4.640 0.001 0.000 0.217 209 D C 0.251 176.555 176.300 0.008 0.000 1.050 209 D CA 0.716 54.718 54.000 0.003 0.000 0.856 209 D CB 0.442 41.243 40.800 0.002 0.000 0.922 209 D HN 0.658 nan 8.370 nan 0.000 0.518 210 T N -1.110 113.452 114.554 0.013 0.000 2.863 210 T HA 0.473 4.824 4.350 0.001 0.000 0.285 210 T C -2.816 171.899 174.700 0.025 0.000 1.009 210 T CA -2.200 59.912 62.100 0.019 0.000 0.989 210 T CB 2.289 71.170 68.868 0.023 0.000 1.004 210 T HN -0.246 nan 8.240 nan 0.000 0.455 211 P HA 0.096 nan 4.420 nan 0.000 0.266 211 P C -0.859 176.469 177.300 0.047 0.000 1.193 211 P CA -0.116 63.004 63.100 0.032 0.000 0.770 211 P CB 0.557 32.275 31.700 0.030 0.000 0.836 212 Q N 1.140 120.974 119.800 0.057 0.000 2.333 212 Q HA 0.427 4.768 4.340 0.001 0.000 0.265 212 Q C -0.268 175.794 176.000 0.104 0.000 0.989 212 Q CA -0.202 55.656 55.803 0.091 0.000 0.842 212 Q CB 1.026 29.817 28.738 0.088 0.000 1.262 212 Q HN 0.306 nan 8.270 nan 0.000 0.451 213 S N 1.856 117.623 115.700 0.112 0.000 2.960 213 S HA 0.265 4.735 4.470 0.001 0.000 0.256 213 S C 0.601 175.252 174.600 0.085 0.000 1.017 213 S CA 0.146 58.401 58.200 0.091 0.000 1.144 213 S CB 1.071 64.304 63.200 0.056 0.000 1.109 213 S HN 0.701 nan 8.310 nan 0.000 0.638 214 G N 0.685 109.555 108.800 0.117 0.000 3.523 214 G HA2 0.372 4.332 3.960 0.001 0.000 0.270 214 G HA3 0.372 4.332 3.960 0.001 0.000 0.270 214 G C -0.444 174.316 174.900 -0.233 0.000 1.134 214 G CA 0.073 45.143 45.100 -0.050 0.000 0.825 214 G HN 0.345 nan 8.290 nan 0.000 0.534 215 Y N 0.280 120.594 120.300 0.023 0.000 2.406 215 Y HA 0.334 4.884 4.550 0.001 0.000 0.340 215 Y C -0.749 175.167 175.900 0.027 0.000 0.975 215 Y CA -1.457 56.658 58.100 0.024 0.000 1.056 215 Y CB 1.940 40.415 38.460 0.026 0.000 1.210 215 Y HN -0.030 nan 8.280 nan 0.000 0.448 216 D N 2.866 123.358 120.400 0.153 0.000 2.280 216 D HA 0.267 4.908 4.640 0.001 0.000 0.243 216 D C -0.619 175.755 176.300 0.123 0.000 1.129 216 D CA -0.133 53.931 54.000 0.108 0.000 0.848 216 D CB 1.985 42.825 40.800 0.067 0.000 1.107 216 D HN 0.161 nan 8.370 nan 0.000 0.471 217 V N 3.285 123.261 119.914 0.103 0.000 2.408 217 V HA 0.230 4.350 4.120 0.001 0.000 0.267 217 V C 0.599 176.737 176.094 0.074 0.000 1.047 217 V CA -0.030 62.319 62.300 0.083 0.000 0.937 217 V CB 1.051 32.914 31.823 0.068 0.000 0.999 217 V HN 0.479 nan 8.190 nan 0.000 0.472 218 T N 6.148 120.747 114.554 0.075 0.000 2.863 218 T HA 0.628 4.979 4.350 0.001 0.000 0.285 218 T C -0.731 174.021 174.700 0.087 0.000 1.009 218 T CA -0.426 61.721 62.100 0.079 0.000 0.989 218 T CB 1.819 70.733 68.868 0.075 0.000 1.004 218 T HN 0.452 nan 8.240 nan 0.000 0.455 219 L N 3.373 124.663 121.223 0.112 0.000 2.305 219 L HA 0.675 5.016 4.340 0.001 0.000 0.284 219 L C -0.583 176.428 176.870 0.235 0.000 1.013 219 L CA -0.265 54.665 54.840 0.149 0.000 0.819 219 L CB 0.726 42.868 42.059 0.137 0.000 1.227 219 L HN 0.530 nan 8.230 nan 0.000 0.417 220 R N 4.770 125.415 120.500 0.241 0.000 2.599 220 R HA 0.748 5.088 4.340 0.001 0.000 0.295 220 R C -1.710 174.801 176.300 0.352 0.000 0.963 220 R CA -0.673 55.565 56.100 0.229 0.000 0.883 220 R CB 2.058 32.426 30.300 0.115 0.000 1.171 220 R HN 0.712 nan 8.270 nan 0.000 0.450 221 Y N -1.861 118.489 120.300 0.084 0.000 2.702 221 Y HA 0.424 4.975 4.550 0.001 0.000 0.336 221 Y C -1.898 174.043 175.900 0.069 0.000 1.203 221 Y CA -1.624 56.535 58.100 0.098 0.000 1.072 221 Y CB 0.984 39.549 38.460 0.176 0.000 1.327 221 Y HN 0.334 nan 8.280 nan 0.000 0.456 222 D N 0.967 121.445 120.400 0.129 0.000 2.185 222 D HA 0.669 5.309 4.640 0.001 0.000 0.247 222 D C -0.923 175.400 176.300 0.039 0.000 1.027 222 D CA -0.132 53.868 54.000 0.002 0.000 0.861 222 D CB 2.102 42.916 40.800 0.024 0.000 1.202 222 D HN 0.690 nan 8.370 nan 0.000 0.453 223 T N 0.483 115.004 114.554 -0.055 0.000 2.900 223 T HA 0.771 5.121 4.350 0.001 0.000 0.295 223 T C -0.883 173.781 174.700 -0.059 0.000 1.044 223 T CA -0.728 61.325 62.100 -0.079 0.000 0.995 223 T CB 1.785 70.627 68.868 -0.044 0.000 1.072 223 T HN 0.336 nan 8.240 nan 0.000 0.473 224 A N 2.005 124.788 122.820 -0.062 0.000 2.319 224 A HA 0.694 5.014 4.320 0.001 0.000 0.310 224 A C 0.001 177.586 177.584 0.002 0.000 1.152 224 A CA -0.677 51.347 52.037 -0.021 0.000 0.783 224 A CB 0.685 19.673 19.000 -0.020 0.000 1.184 224 A HN 0.686 nan 8.150 nan 0.000 0.474 225 T N 2.764 117.342 114.554 0.040 0.000 2.744 225 T HA 0.242 4.592 4.350 0.001 0.000 0.291 225 T C 0.161 174.958 174.700 0.160 0.000 0.957 225 T CA -0.254 61.893 62.100 0.078 0.000 1.002 225 T CB 0.199 69.092 68.868 0.042 0.000 0.919 225 T HN 0.696 nan 8.240 nan 0.000 0.468 226 N N 4.633 123.391 118.700 0.097 0.000 2.462 226 N HA 0.307 5.048 4.740 0.001 0.000 0.242 226 N C -0.612 174.924 175.510 0.042 0.000 1.010 226 N CA -0.763 52.309 53.050 0.037 0.000 0.939 226 N CB 0.820 39.289 38.487 -0.030 0.000 1.127 226 N HN 0.654 nan 8.380 nan 0.000 0.509 227 W N 2.437 123.592 121.300 -0.241 0.000 3.040 227 W HA 0.664 5.325 4.660 0.001 0.000 0.344 227 W C -1.402 174.869 176.519 -0.414 0.000 1.201 227 W CA -1.072 56.033 57.345 -0.399 0.000 1.119 227 W CB 0.452 29.641 29.460 -0.451 0.000 1.478 227 W HN 0.406 nan 8.180 nan 0.000 0.586 228 S N 0.552 115.900 115.700 -0.587 0.000 2.611 228 S HA 0.728 5.198 4.470 0.001 0.000 0.268 228 S C -1.439 172.896 174.600 -0.443 0.000 1.156 228 S CA -1.077 56.708 58.200 -0.691 0.000 0.817 228 S CB 2.314 65.221 63.200 -0.489 0.000 1.122 228 S HN 0.855 nan 8.310 nan 0.000 0.466 229 K N -0.334 119.896 120.400 -0.284 0.000 2.569 229 K HA 0.616 4.937 4.320 0.001 0.000 0.259 229 K C -0.667 175.975 176.600 0.069 0.000 0.932 229 K CA -0.556 55.735 56.287 0.006 0.000 0.833 229 K CB 1.348 33.925 32.500 0.128 0.000 1.340 229 K HN 0.886 nan 8.250 nan 0.000 0.429 230 T N -0.343 114.336 114.554 0.209 0.000 2.897 230 T HA 0.454 4.805 4.350 0.001 0.000 0.278 230 T C -0.409 174.476 174.700 0.308 0.000 0.981 230 T CA -0.855 61.341 62.100 0.161 0.000 0.973 230 T CB 0.535 69.456 68.868 0.089 0.000 1.092 230 T HN 0.687 nan 8.240 nan 0.000 0.543 231 N N 0.180 119.004 118.700 0.208 0.000 2.576 231 N HA 0.320 5.061 4.740 0.001 0.000 0.269 231 N C 0.588 176.153 175.510 0.092 0.000 1.058 231 N CA -0.637 52.573 53.050 0.267 0.000 0.860 231 N CB 1.616 40.289 38.487 0.310 0.000 1.249 231 N HN 0.604 nan 8.380 nan 0.000 0.525 232 T N 0.456 115.009 114.554 -0.002 0.000 2.653 232 T HA -0.194 4.157 4.350 0.001 0.000 0.268 232 T C 0.115 174.546 174.700 -0.449 0.000 1.035 232 T CA 1.793 63.729 62.100 -0.273 0.000 1.154 232 T CB -0.224 68.422 68.868 -0.370 0.000 0.862 232 T HN 0.392 nan 8.240 nan 0.000 0.441 233 Y N -1.239 119.101 120.300 0.066 0.000 2.650 233 Y HA 0.608 5.158 4.550 0.001 0.000 0.331 233 Y C 1.490 177.418 175.900 0.048 0.000 1.082 233 Y CA -1.118 57.005 58.100 0.039 0.000 1.171 233 Y CB 0.760 39.227 38.460 0.012 0.000 1.326 233 Y HN -0.046 nan 8.280 nan 0.000 0.513 234 G N -0.036 108.903 108.800 0.231 0.000 2.511 234 G HA2 -0.159 3.801 3.960 0.001 0.000 0.217 234 G HA3 -0.159 3.801 3.960 0.001 0.000 0.217 234 G C 1.398 176.343 174.900 0.075 0.000 1.133 234 G CA 0.467 45.641 45.100 0.124 0.000 0.792 234 G HN 0.543 nan 8.290 nan 0.000 0.539 235 L N 2.361 123.603 121.223 0.031 0.000 2.189 235 L HA -0.120 4.221 4.340 0.001 0.000 0.214 235 L C 2.932 179.771 176.870 -0.051 0.000 1.097 235 L CA 2.300 57.076 54.840 -0.107 0.000 0.764 235 L CB -0.558 41.373 42.059 -0.214 0.000 0.900 235 L HN 0.314 nan 8.230 nan 0.000 0.436 236 S N -1.834 113.922 115.700 0.094 0.000 2.465 236 S HA -0.225 4.246 4.470 0.001 0.000 0.241 236 S C 1.820 176.557 174.600 0.229 0.000 1.000 236 S CA 1.147 59.477 58.200 0.217 0.000 0.964 236 S CB -0.603 62.849 63.200 0.421 0.000 0.763 236 S HN 0.621 nan 8.310 nan 0.000 0.512 237 E N 0.812 121.101 120.200 0.148 0.000 2.338 237 E HA 0.026 4.376 4.350 0.001 0.000 0.197 237 E C 1.440 178.127 176.600 0.144 0.000 1.007 237 E CA 0.697 57.180 56.400 0.137 0.000 0.849 237 E CB 0.166 29.924 29.700 0.098 0.000 0.774 237 E HN 0.295 nan 8.360 nan 0.000 0.506 238 K N -0.387 120.093 120.400 0.132 0.000 2.374 238 K HA 0.161 4.481 4.320 0.001 0.000 0.202 238 K C -0.054 176.717 176.600 0.286 0.000 1.040 238 K CA -0.055 56.353 56.287 0.202 0.000 1.085 238 K CB 0.891 33.534 32.500 0.239 0.000 0.873 238 K HN 0.042 nan 8.250 nan 0.000 0.539 239 V N 1.949 122.003 119.914 0.232 0.000 2.686 239 V HA 0.469 4.590 4.120 0.001 0.000 0.295 239 V C -0.112 176.144 176.094 0.271 0.000 1.057 239 V CA 0.082 62.535 62.300 0.256 0.000 1.012 239 V CB 1.358 33.262 31.823 0.135 0.000 1.006 239 V HN 0.487 nan 8.190 nan 0.000 0.477 240 T N 2.202 116.896 114.554 0.233 0.000 2.696 240 T HA 0.671 5.022 4.350 0.001 0.000 0.291 240 T C -0.518 174.299 174.700 0.195 0.000 1.095 240 T CA -0.584 61.655 62.100 0.231 0.000 1.026 240 T CB 1.838 70.816 68.868 0.183 0.000 1.390 240 T HN 0.748 nan 8.240 nan 0.000 0.513 241 T N 0.664 115.341 114.554 0.205 0.000 2.861 241 T HA 0.451 4.801 4.350 0.001 0.000 0.287 241 T C 0.874 175.658 174.700 0.140 0.000 1.003 241 T CA -0.934 61.274 62.100 0.180 0.000 0.977 241 T CB 2.299 71.362 68.868 0.325 0.000 0.996 241 T HN 0.794 nan 8.240 nan 0.000 0.448 242 K N 1.808 122.264 120.400 0.094 0.000 2.026 242 K HA -0.050 4.270 4.320 0.001 0.000 0.208 242 K C -0.003 176.650 176.600 0.087 0.000 1.048 242 K CA 1.315 57.648 56.287 0.076 0.000 0.929 242 K CB 0.086 32.616 32.500 0.049 0.000 0.713 242 K HN 0.609 nan 8.250 nan 0.000 0.439 243 N N 0.410 119.173 118.700 0.105 0.000 2.240 243 N HA 0.113 4.854 4.740 0.001 0.000 0.302 243 N C -1.628 173.999 175.510 0.194 0.000 1.106 243 N CA -0.939 52.180 53.050 0.114 0.000 0.778 243 N CB 1.828 40.364 38.487 0.083 0.000 1.431 243 N HN 0.031 nan 8.380 nan 0.000 0.479 244 K N 0.469 120.959 120.400 0.150 0.000 2.336 244 K HA 0.380 4.701 4.320 0.001 0.000 0.262 244 K C -0.878 175.863 176.600 0.235 0.000 0.992 244 K CA -0.087 56.283 56.287 0.138 0.000 0.927 244 K CB 0.237 32.757 32.500 0.033 0.000 0.956 244 K HN 0.577 nan 8.250 nan 0.000 0.495 245 F N -2.583 117.361 119.950 -0.010 0.000 2.668 245 F HA 0.466 4.993 4.527 0.001 0.000 0.309 245 F C -1.136 174.636 175.800 -0.047 0.000 1.117 245 F CA -1.558 56.422 58.000 -0.035 0.000 0.951 245 F CB 1.134 40.102 39.000 -0.054 0.000 1.323 245 F HN 0.173 nan 8.300 nan 0.000 0.451 246 K N 2.182 122.634 120.400 0.086 0.000 2.298 246 K HA 0.023 4.343 4.320 0.001 0.000 0.280 246 K C -0.475 176.134 176.600 0.014 0.000 1.032 246 K CA -0.245 56.032 56.287 -0.018 0.000 0.958 246 K CB 0.958 33.457 32.500 -0.002 0.000 0.978 246 K HN 0.859 nan 8.250 nan 0.000 0.472 247 W N 6.858 128.008 121.300 -0.250 0.000 2.347 247 W HA -0.002 4.658 4.660 0.001 0.000 0.333 247 W C -1.960 174.428 176.519 -0.220 0.000 1.383 247 W CA -1.141 56.048 57.345 -0.260 0.000 1.283 247 W CB 0.266 29.463 29.460 -0.437 0.000 1.253 247 W HN 0.375 nan 8.180 nan 0.000 0.563 248 P HA -0.051 nan 4.420 nan 0.000 0.265 248 P C -0.454 176.689 177.300 -0.262 0.000 1.187 248 P CA 0.539 63.327 63.100 -0.520 0.000 0.766 248 P CB 0.738 31.795 31.700 -1.073 0.000 0.820 249 L N 2.981 124.140 121.223 -0.106 0.000 2.319 249 L HA 0.348 4.688 4.340 0.001 0.000 0.280 249 L C 0.278 177.154 176.870 0.011 0.000 1.099 249 L CA -0.607 54.221 54.840 -0.020 0.000 0.828 249 L CB 0.805 42.848 42.059 -0.026 0.000 1.150 249 L HN 0.140 nan 8.230 nan 0.000 0.442 250 V N 2.392 122.325 119.914 0.032 0.000 2.638 250 V HA 0.787 4.907 4.120 0.001 0.000 0.306 250 V C 0.632 176.723 176.094 -0.004 0.000 1.052 250 V CA 0.098 62.383 62.300 -0.025 0.000 0.885 250 V CB 1.135 32.825 31.823 -0.222 0.000 0.999 250 V HN 1.063 nan 8.190 nan 0.000 0.424 251 G N 3.984 112.773 108.800 -0.018 0.000 2.536 251 G HA2 -0.193 3.767 3.960 0.001 0.000 0.280 251 G HA3 -0.193 3.767 3.960 0.001 0.000 0.280 251 G C 0.135 175.045 174.900 0.017 0.000 1.152 251 G CA 0.697 45.804 45.100 0.012 0.000 0.970 251 G HN 0.815 nan 8.290 nan 0.000 0.549 252 E N 0.736 120.956 120.200 0.032 0.000 3.586 252 E HA 0.386 4.736 4.350 0.001 0.000 0.175 252 E C -0.340 176.267 176.600 0.011 0.000 0.980 252 E CA 0.301 56.703 56.400 0.003 0.000 1.391 252 E CB 0.183 29.888 29.700 0.008 0.000 1.101 252 E HN 0.495 nan 8.360 nan 0.000 0.440 253 T N 0.963 115.539 114.554 0.036 0.000 2.853 253 T HA 0.308 4.659 4.350 0.001 0.000 0.317 253 T C -0.076 174.589 174.700 -0.059 0.000 1.059 253 T CA -0.511 61.636 62.100 0.078 0.000 0.954 253 T CB 0.647 69.623 68.868 0.179 0.000 0.994 253 T HN -0.018 nan 8.240 nan 0.000 0.479 254 E N 2.867 122.856 120.200 -0.351 0.000 2.292 254 E HA 0.171 4.521 4.350 0.001 0.000 0.265 254 E C -0.634 175.891 176.600 -0.124 0.000 1.093 254 E CA -0.292 55.910 56.400 -0.330 0.000 0.922 254 E CB 0.246 29.570 29.700 -0.626 0.000 1.001 254 E HN 0.283 nan 8.360 nan 0.000 0.444 255 L N 2.517 123.714 121.223 -0.043 0.000 2.317 255 L HA 0.218 4.558 4.340 0.001 0.000 0.281 255 L C 0.068 176.905 176.870 -0.056 0.000 1.024 255 L CA -0.078 54.755 54.840 -0.011 0.000 0.810 255 L CB 1.989 44.074 42.059 0.044 0.000 1.240 255 L HN 0.312 nan 8.230 nan 0.000 0.427 256 S N 4.378 120.029 115.700 -0.081 0.000 2.514 256 S HA 0.550 5.020 4.470 0.001 0.000 0.179 256 S C -0.058 174.434 174.600 -0.179 0.000 1.409 256 S CA -0.349 57.790 58.200 -0.101 0.000 1.138 256 S CB -0.470 62.685 63.200 -0.075 0.000 1.217 256 S HN 0.338 nan 8.310 nan 0.000 0.493 257 I N 1.832 122.257 120.570 -0.241 0.000 2.441 257 I HA 0.453 4.623 4.170 0.001 0.000 0.295 257 I C -0.065 175.867 176.117 -0.308 0.000 0.994 257 I CA -0.551 60.485 61.300 -0.441 0.000 1.144 257 I CB 1.993 39.519 38.000 -0.789 0.000 1.314 257 I HN 0.314 nan 8.210 nan 0.000 0.445 258 E N 6.243 126.256 120.200 -0.311 0.000 2.234 258 E HA 0.473 4.824 4.350 0.001 0.000 0.266 258 E C -1.443 174.977 176.600 -0.300 0.000 0.877 258 E CA -0.660 55.578 56.400 -0.269 0.000 0.758 258 E CB 1.572 31.175 29.700 -0.161 0.000 1.170 258 E HN 0.329 nan 8.360 nan 0.000 0.415 259 I N 3.208 123.493 120.570 -0.474 0.000 2.331 259 I HA 0.399 4.569 4.170 0.001 0.000 0.292 259 I C 0.270 176.250 176.117 -0.227 0.000 0.998 259 I CA -0.541 60.506 61.300 -0.421 0.000 1.267 259 I CB 0.788 38.320 38.000 -0.780 0.000 1.386 259 I HN 0.630 nan 8.210 nan 0.000 0.476 260 A N 5.415 128.187 122.820 -0.079 0.000 2.327 260 A HA 0.758 5.078 4.320 0.001 0.000 0.283 260 A C 0.390 178.012 177.584 0.064 0.000 1.127 260 A CA -0.395 51.640 52.037 -0.004 0.000 0.810 260 A CB 0.649 19.652 19.000 0.006 0.000 1.066 260 A HN 0.845 nan 8.150 nan 0.000 0.492 261 A N 1.573 124.442 122.820 0.081 0.000 2.296 261 A HA 0.505 4.825 4.320 0.001 0.000 0.264 261 A C 0.763 178.404 177.584 0.094 0.000 1.097 261 A CA 0.150 52.254 52.037 0.112 0.000 0.811 261 A CB -0.349 18.710 19.000 0.099 0.000 1.072 261 A HN 1.419 nan 8.150 nan 0.000 0.495 262 N N -1.336 117.426 118.700 0.103 0.000 2.708 262 N HA -0.163 4.577 4.740 0.001 0.000 0.251 262 N C -0.434 175.131 175.510 0.092 0.000 1.123 262 N CA 1.803 54.907 53.050 0.090 0.000 0.739 262 N CB -1.255 37.272 38.487 0.067 0.000 1.113 262 N HN 0.727 nan 8.380 nan 0.000 0.561 263 Q N -0.497 119.371 119.800 0.113 0.000 2.372 263 Q HA 0.450 4.791 4.340 0.001 0.000 0.273 263 Q C -0.463 175.627 176.000 0.151 0.000 1.078 263 Q CA -0.733 55.133 55.803 0.105 0.000 0.806 263 Q CB 1.726 30.509 28.738 0.075 0.000 1.332 263 Q HN 0.320 nan 8.270 nan 0.000 0.435 264 S N 1.915 117.699 115.700 0.141 0.000 2.537 264 S HA -0.044 4.427 4.470 0.001 0.000 0.286 264 S C 0.915 175.652 174.600 0.229 0.000 1.299 264 S CA -0.487 57.827 58.200 0.190 0.000 1.067 264 S CB 0.414 63.703 63.200 0.149 0.000 0.864 264 S HN 0.899 nan 8.310 nan 0.000 0.494 265 W N 3.536 124.903 121.300 0.111 0.000 2.308 265 W HA -0.279 4.382 4.660 0.001 0.000 0.301 265 W C 1.912 178.509 176.519 0.130 0.000 1.220 265 W CA 1.597 59.021 57.345 0.131 0.000 1.240 265 W CB -0.673 28.880 29.460 0.156 0.000 1.142 265 W HN 0.942 nan 8.180 nan 0.000 0.521 266 A N 0.085 123.030 122.820 0.208 0.000 2.216 266 A HA -0.121 4.199 4.320 0.001 0.000 0.214 266 A C 1.699 179.279 177.584 -0.007 0.000 1.160 266 A CA 1.599 53.689 52.037 0.089 0.000 0.725 266 A CB -0.866 18.218 19.000 0.139 0.000 0.784 266 A HN 0.303 nan 8.150 nan 0.000 0.472 267 S N -1.150 114.544 115.700 -0.011 0.000 2.575 267 S HA 0.262 4.732 4.470 0.001 0.000 0.237 267 S C 0.170 174.723 174.600 -0.079 0.000 0.975 267 S CA -0.479 57.701 58.200 -0.034 0.000 0.960 267 S CB -0.110 63.092 63.200 0.004 0.000 0.822 267 S HN 0.578 nan 8.310 nan 0.000 0.472 268 Q N 1.126 120.841 119.800 -0.141 0.000 3.075 268 Q HA 0.392 4.732 4.340 0.001 0.000 0.318 268 Q C -0.725 175.127 176.000 -0.247 0.000 0.907 268 Q CA -0.386 55.326 55.803 -0.152 0.000 0.882 268 Q CB 0.433 29.099 28.738 -0.121 0.000 1.386 268 Q HN 0.191 nan 8.270 nan 0.000 0.408 269 N N 1.033 119.533 118.700 -0.333 0.000 2.235 269 N HA 0.199 4.940 4.740 0.001 0.000 0.209 269 N C 0.369 175.387 175.510 -0.819 0.000 1.122 269 N CA 0.738 53.533 53.050 -0.424 0.000 0.845 269 N CB 1.480 39.801 38.487 -0.277 0.000 1.004 269 N HN 0.644 nan 8.380 nan 0.000 0.499 270 G N -1.405 106.614 108.800 -1.302 0.000 2.353 270 G HA2 0.373 4.334 3.960 0.001 0.000 0.615 270 G HA3 0.373 4.334 3.960 0.001 0.000 0.615 270 G C -0.373 173.845 174.900 -1.136 0.000 1.280 270 G CA -0.324 43.489 45.100 -2.145 0.000 1.000 270 G HN 0.531 nan 8.290 nan 0.000 0.516 271 G N -1.937 106.222 108.800 -1.069 0.000 2.356 271 G HA2 0.573 4.533 3.960 0.001 0.000 0.266 271 G HA3 0.573 4.533 3.960 0.001 0.000 0.266 271 G C -0.736 174.015 174.900 -0.247 0.000 1.312 271 G CA 0.637 45.465 45.100 -0.454 0.000 0.922 271 G HN 1.858 nan 8.290 nan 0.000 0.480 272 S N 0.875 116.526 115.700 -0.082 0.000 2.594 272 S HA 0.655 5.125 4.470 0.001 0.000 0.322 272 S C 0.048 174.684 174.600 0.060 0.000 1.085 272 S CA 0.095 58.304 58.200 0.015 0.000 1.116 272 S CB 1.093 64.279 63.200 -0.023 0.000 0.979 272 S HN 1.224 nan 8.310 nan 0.000 0.465 273 T N 0.606 115.234 114.554 0.123 0.000 2.794 273 T HA 0.617 4.967 4.350 0.001 0.000 0.280 273 T C -0.172 174.545 174.700 0.029 0.000 0.987 273 T CA -0.649 61.501 62.100 0.083 0.000 0.993 273 T CB 1.216 70.150 68.868 0.110 0.000 0.939 273 T HN 0.285 nan 8.240 nan 0.000 0.449 274 T N 2.858 117.415 114.554 0.005 0.000 2.797 274 T HA 0.657 5.008 4.350 0.001 0.000 0.279 274 T C -0.120 174.561 174.700 -0.031 0.000 0.991 274 T CA -0.558 61.533 62.100 -0.015 0.000 0.979 274 T CB 1.483 70.343 68.868 -0.013 0.000 0.943 274 T HN 0.949 nan 8.240 nan 0.000 0.444 275 T N 1.093 115.615 114.554 -0.053 0.000 2.893 275 T HA 0.554 4.904 4.350 0.001 0.000 0.293 275 T C -0.779 173.851 174.700 -0.117 0.000 1.027 275 T CA -0.672 61.385 62.100 -0.073 0.000 0.988 275 T CB 1.230 70.053 68.868 -0.075 0.000 1.043 275 T HN 0.357 nan 8.240 nan 0.000 0.461 276 S N 4.035 119.665 115.700 -0.117 0.000 2.422 276 S HA 0.566 5.036 4.470 0.001 0.000 0.298 276 S C -0.113 174.357 174.600 -0.217 0.000 1.118 276 S CA -0.728 57.374 58.200 -0.164 0.000 1.083 276 S CB 0.163 63.308 63.200 -0.091 0.000 0.971 276 S HN 0.580 nan 8.310 nan 0.000 0.478 277 L N 2.012 122.983 121.223 -0.419 0.000 2.365 277 L HA 0.760 5.100 4.340 0.001 0.000 0.267 277 L C 0.362 177.079 176.870 -0.255 0.000 1.033 277 L CA -0.663 53.949 54.840 -0.381 0.000 0.802 277 L CB 1.584 43.314 42.059 -0.547 0.000 1.267 277 L HN 0.595 nan 8.230 nan 0.000 0.457 278 S N 0.763 116.422 115.700 -0.068 0.000 2.706 278 S HA 0.316 4.787 4.470 0.001 0.000 0.270 278 S C -1.110 173.550 174.600 0.099 0.000 1.163 278 S CA -0.776 57.451 58.200 0.045 0.000 1.042 278 S CB 1.082 64.296 63.200 0.024 0.000 1.079 278 S HN 0.541 nan 8.310 nan 0.000 0.474 279 Q N 1.923 121.822 119.800 0.165 0.000 2.226 279 Q HA 0.709 5.050 4.340 0.001 0.000 0.256 279 Q C -0.592 175.473 176.000 0.108 0.000 0.962 279 Q CA -0.530 55.359 55.803 0.144 0.000 0.887 279 Q CB 1.963 30.811 28.738 0.182 0.000 1.282 279 Q HN 0.664 nan 8.270 nan 0.000 0.449 280 S N 0.211 115.962 115.700 0.085 0.000 2.588 280 S HA 0.719 5.190 4.470 0.001 0.000 0.269 280 S C -1.933 172.705 174.600 0.063 0.000 1.157 280 S CA -0.597 57.646 58.200 0.072 0.000 0.824 280 S CB 1.831 65.069 63.200 0.063 0.000 1.126 280 S HN 0.378 nan 8.310 nan 0.000 0.464 281 V N 2.424 122.373 119.914 0.060 0.000 3.167 281 V HA 0.643 4.764 4.120 0.001 0.000 0.293 281 V C -1.636 174.494 176.094 0.059 0.000 1.379 281 V CA -0.650 61.683 62.300 0.055 0.000 1.019 281 V CB 2.269 34.123 31.823 0.051 0.000 1.115 281 V HN 0.945 nan 8.190 nan 0.000 0.442 282 R N 5.231 125.764 120.500 0.055 0.000 2.396 282 R HA 0.509 4.850 4.340 0.001 0.000 0.292 282 R C -2.546 173.791 176.300 0.062 0.000 1.240 282 R CA -1.363 54.774 56.100 0.062 0.000 1.270 282 R CB 1.346 31.674 30.300 0.047 0.000 1.108 282 R HN 0.680 nan 8.270 nan 0.000 0.573 283 P HA 0.229 nan 4.420 nan 0.000 0.278 283 P C -0.913 176.429 177.300 0.070 0.000 1.258 283 P CA -0.325 62.813 63.100 0.064 0.000 0.811 283 P CB 1.593 33.331 31.700 0.063 0.000 1.063 284 T N 0.604 115.194 114.554 0.060 0.000 2.791 284 T HA 0.365 4.715 4.350 0.001 0.000 0.288 284 T C -0.399 174.334 174.700 0.055 0.000 0.999 284 T CA -0.357 61.778 62.100 0.058 0.000 0.952 284 T CB 0.579 69.475 68.868 0.047 0.000 0.938 284 T HN 0.111 nan 8.240 nan 0.000 0.444 285 V N 7.100 127.048 119.914 0.056 0.000 2.384 285 V HA 0.376 4.497 4.120 0.001 0.000 0.287 285 V C -2.229 173.888 176.094 0.038 0.000 1.020 285 V CA -2.348 59.982 62.300 0.049 0.000 0.850 285 V CB 1.359 33.210 31.823 0.047 0.000 0.987 285 V HN 0.641 nan 8.190 nan 0.000 0.436 286 P HA 0.149 nan 4.420 nan 0.000 0.270 286 P C -0.108 177.201 177.300 0.015 0.000 1.227 286 P CA 0.019 63.133 63.100 0.023 0.000 0.788 286 P CB 0.475 32.188 31.700 0.021 0.000 0.926 287 A N 2.275 125.102 122.820 0.011 0.000 2.520 287 A HA 0.083 4.403 4.320 0.001 0.000 0.235 287 A C 0.332 177.913 177.584 -0.005 0.000 1.065 287 A CA 0.168 52.207 52.037 0.004 0.000 0.764 287 A CB -0.779 18.224 19.000 0.005 0.000 1.002 287 A HN 0.563 nan 8.150 nan 0.000 0.502 288 R N -0.099 120.393 120.500 -0.013 0.000 3.158 288 R HA -0.138 4.203 4.340 0.001 0.000 0.244 288 R C -0.367 175.914 176.300 -0.032 0.000 0.900 288 R CA 1.299 57.384 56.100 -0.026 0.000 0.618 288 R CB -2.163 28.122 30.300 -0.025 0.000 1.061 288 R HN 0.846 nan 8.270 nan 0.000 0.471 289 S N -0.813 114.869 115.700 -0.029 0.000 2.638 289 S HA 0.745 5.216 4.470 0.001 0.000 0.274 289 S C -0.896 173.687 174.600 -0.029 0.000 1.157 289 S CA -1.089 57.093 58.200 -0.030 0.000 0.826 289 S CB 2.548 65.748 63.200 -0.001 0.000 1.139 289 S HN 0.394 nan 8.310 nan 0.000 0.474 290 K N 0.219 120.604 120.400 -0.025 0.000 2.469 290 K HA 0.811 5.131 4.320 0.001 0.000 0.254 290 K C -1.354 175.361 176.600 0.193 0.000 0.939 290 K CA -0.943 55.361 56.287 0.028 0.000 0.812 290 K CB 1.431 33.831 32.500 -0.166 0.000 1.301 290 K HN 0.703 nan 8.250 nan 0.000 0.433 291 I N -1.608 119.155 120.570 0.322 0.000 2.545 291 I HA 0.535 4.705 4.170 0.001 0.000 0.292 291 I C -2.723 173.602 176.117 0.348 0.000 1.040 291 I CA -2.853 58.644 61.300 0.329 0.000 1.068 291 I CB 2.262 40.355 38.000 0.154 0.000 1.251 291 I HN 0.471 nan 8.210 nan 0.000 0.424 292 P HA 0.187 nan 4.420 nan 0.000 0.276 292 P C -0.716 176.454 177.300 -0.216 0.000 1.230 292 P CA -0.153 62.691 63.100 -0.426 0.000 0.776 292 P CB 1.853 33.226 31.700 -0.545 0.000 0.888 293 V N 4.205 123.966 119.914 -0.255 0.000 2.495 293 V HA 0.430 4.550 4.120 0.001 0.000 0.298 293 V C 0.334 176.325 176.094 -0.172 0.000 1.031 293 V CA -0.486 61.729 62.300 -0.141 0.000 0.871 293 V CB 1.770 33.545 31.823 -0.081 0.000 0.988 293 V HN 0.540 nan 8.190 nan 0.000 0.432 294 K N 5.171 125.497 120.400 -0.122 0.000 2.345 294 K HA 0.738 5.058 4.320 0.001 0.000 0.255 294 K C -1.672 174.873 176.600 -0.093 0.000 0.934 294 K CA -0.648 55.563 56.287 -0.126 0.000 0.801 294 K CB 1.776 34.209 32.500 -0.113 0.000 1.137 294 K HN 0.691 nan 8.250 nan 0.000 0.424 295 I N 3.915 124.411 120.570 -0.123 0.000 2.503 295 I HA 0.190 4.360 4.170 0.001 0.000 0.282 295 I C -0.544 175.455 176.117 -0.196 0.000 1.059 295 I CA -0.657 60.571 61.300 -0.120 0.000 1.081 295 I CB 1.950 39.873 38.000 -0.127 0.000 1.210 295 I HN 0.570 nan 8.210 nan 0.000 0.450 296 E N 6.519 126.608 120.200 -0.185 0.000 2.301 296 E HA 0.553 4.904 4.350 0.001 0.000 0.275 296 E C -0.990 175.300 176.600 -0.517 0.000 1.030 296 E CA -0.586 55.589 56.400 -0.375 0.000 0.852 296 E CB 1.859 31.329 29.700 -0.384 0.000 1.060 296 E HN 0.432 nan 8.360 nan 0.000 0.401 297 L N 3.499 124.298 121.223 -0.706 0.000 2.333 297 L HA 0.451 4.792 4.340 0.001 0.000 0.280 297 L C -0.979 175.475 176.870 -0.693 0.000 1.004 297 L CA -0.838 53.604 54.840 -0.662 0.000 0.820 297 L CB 0.478 41.960 42.059 -0.961 0.000 1.247 297 L HN 0.521 nan 8.230 nan 0.000 0.416 298 Y N 1.648 121.772 120.300 -0.294 0.000 2.528 298 Y HA 0.572 5.122 4.550 0.001 0.000 0.335 298 Y C -0.007 175.660 175.900 -0.388 0.000 1.093 298 Y CA -0.817 57.013 58.100 -0.449 0.000 1.134 298 Y CB 1.985 39.929 38.460 -0.860 0.000 1.253 298 Y HN 0.403 nan 8.280 nan 0.000 0.478 299 K N 1.207 121.569 120.400 -0.063 0.000 2.375 299 K HA 0.919 5.239 4.320 0.001 0.000 0.249 299 K C -1.842 174.797 176.600 0.064 0.000 0.942 299 K CA -0.787 55.505 56.287 0.009 0.000 0.806 299 K CB 1.792 34.320 32.500 0.047 0.000 1.227 299 K HN 0.833 nan 8.250 nan 0.000 0.430 300 A N 3.187 126.093 122.820 0.143 0.000 2.517 300 A HA 0.493 4.814 4.320 0.001 0.000 0.297 300 A C -2.025 175.657 177.584 0.164 0.000 1.050 300 A CA -0.867 51.291 52.037 0.202 0.000 0.694 300 A CB 1.428 20.655 19.000 0.379 0.000 1.277 300 A HN 0.780 nan 8.150 nan 0.000 0.400 301 D N 0.615 121.096 120.400 0.135 0.000 2.498 301 D HA 0.728 5.368 4.640 0.001 0.000 0.247 301 D C -0.772 175.607 176.300 0.132 0.000 1.070 301 D CA -0.079 53.985 54.000 0.107 0.000 0.842 301 D CB 2.300 43.143 40.800 0.072 0.000 1.361 301 D HN 0.588 nan 8.370 nan 0.000 0.484 302 I N 0.846 121.499 120.570 0.139 0.000 2.841 302 I HA 0.611 4.782 4.170 0.001 0.000 0.298 302 I C -1.610 174.609 176.117 0.171 0.000 1.304 302 I CA -0.336 61.091 61.300 0.211 0.000 1.019 302 I CB 1.572 39.764 38.000 0.321 0.000 1.282 302 I HN 0.598 nan 8.210 nan 0.000 0.432 303 S N 5.147 120.984 115.700 0.227 0.000 2.547 303 S HA 0.863 5.334 4.470 0.001 0.000 0.270 303 S C -1.416 173.352 174.600 0.279 0.000 1.150 303 S CA -0.553 57.705 58.200 0.097 0.000 0.850 303 S CB 1.996 65.218 63.200 0.035 0.000 1.118 303 S HN 1.083 nan 8.310 nan 0.000 0.461 304 Y N -2.556 117.919 120.300 0.291 0.000 2.786 304 Y HA 0.680 5.230 4.550 0.001 0.000 0.365 304 Y C -3.517 172.604 175.900 0.369 0.000 1.171 304 Y CA -1.717 56.552 58.100 0.281 0.000 1.214 304 Y CB 0.015 38.627 38.460 0.254 0.000 1.411 304 Y HN 0.601 nan 8.280 nan 0.000 0.485 305 P HA 0.296 nan 4.420 nan 0.000 0.277 305 P C -1.418 176.244 177.300 0.603 0.000 1.240 305 P CA 0.197 63.528 63.100 0.385 0.000 0.798 305 P CB 1.392 33.216 31.700 0.207 0.000 0.979 306 Y N -1.346 119.252 120.300 0.496 0.000 2.633 306 Y HA 0.803 5.353 4.550 0.001 0.000 0.339 306 Y C -0.915 175.162 175.900 0.296 0.000 1.045 306 Y CA -1.404 57.008 58.100 0.520 0.000 1.098 306 Y CB 1.920 40.899 38.460 0.865 0.000 1.296 306 Y HN 0.446 nan 8.280 nan 0.000 0.494 307 E N 1.624 121.958 120.200 0.223 0.000 2.347 307 E HA 0.488 4.838 4.350 0.001 0.000 0.285 307 E C -2.444 174.125 176.600 -0.052 0.000 0.925 307 E CA -0.522 55.931 56.400 0.088 0.000 0.779 307 E CB 1.518 31.187 29.700 -0.050 0.000 1.233 307 E HN 0.622 nan 8.360 nan 0.000 0.414 308 F N 2.092 122.159 119.950 0.195 0.000 2.577 308 F HA 0.533 5.061 4.527 0.001 0.000 0.318 308 F C 0.027 175.808 175.800 -0.031 0.000 1.065 308 F CA -0.993 57.038 58.000 0.052 0.000 0.929 308 F CB 1.672 40.638 39.000 -0.057 0.000 1.237 308 F HN 0.138 nan 8.300 nan 0.000 0.468 309 K N 1.527 122.012 120.400 0.142 0.000 2.123 309 K HA 0.775 5.095 4.320 0.001 0.000 0.259 309 K C -0.830 175.792 176.600 0.036 0.000 0.960 309 K CA -0.686 55.639 56.287 0.062 0.000 0.872 309 K CB 1.780 34.299 32.500 0.032 0.000 1.079 309 K HN 0.659 nan 8.250 nan 0.000 0.440 310 A N 2.734 125.574 122.820 0.034 0.000 2.287 310 A HA 0.322 4.643 4.320 0.001 0.000 0.317 310 A C -0.656 176.989 177.584 0.102 0.000 1.220 310 A CA -0.736 51.330 52.037 0.049 0.000 0.835 310 A CB 0.412 19.448 19.000 0.059 0.000 1.180 310 A HN 0.598 nan 8.150 nan 0.000 0.500 311 D N 1.871 122.324 120.400 0.088 0.000 2.351 311 D HA 0.279 4.920 4.640 0.001 0.000 0.251 311 D C -0.295 176.088 176.300 0.138 0.000 1.137 311 D CA 0.406 54.461 54.000 0.093 0.000 0.879 311 D CB 1.697 42.527 40.800 0.049 0.000 1.181 311 D HN 0.189 nan 8.370 nan 0.000 0.448 312 V N 2.725 122.742 119.914 0.172 0.000 2.383 312 V HA 0.222 4.343 4.120 0.001 0.000 0.275 312 V C 0.511 176.698 176.094 0.156 0.000 1.036 312 V CA -0.381 62.047 62.300 0.213 0.000 0.889 312 V CB 1.228 33.259 31.823 0.348 0.000 0.985 312 V HN 0.601 nan 8.190 nan 0.000 0.459 313 S N 5.249 120.973 115.700 0.040 0.000 2.568 313 S HA 0.952 5.422 4.470 0.001 0.000 0.302 313 S C -1.012 173.536 174.600 -0.087 0.000 1.082 313 S CA -0.667 57.472 58.200 -0.102 0.000 1.009 313 S CB 2.083 65.201 63.200 -0.136 0.000 1.069 313 S HN 0.807 nan 8.310 nan 0.000 0.500 314 Y N -1.821 118.335 120.300 -0.241 0.000 2.689 314 Y HA 0.698 5.249 4.550 0.001 0.000 0.333 314 Y C -1.756 173.984 175.900 -0.267 0.000 1.208 314 Y CA -1.346 56.479 58.100 -0.458 0.000 1.055 314 Y CB 0.206 38.100 38.460 -0.944 0.000 1.304 314 Y HN 0.446 nan 8.280 nan 0.000 0.455 315 D N 1.598 121.933 120.400 -0.108 0.000 2.177 315 D HA 0.413 5.053 4.640 0.001 0.000 0.247 315 D C -1.360 174.988 176.300 0.080 0.000 1.063 315 D CA -0.181 53.783 54.000 -0.061 0.000 0.867 315 D CB 2.307 43.065 40.800 -0.069 0.000 1.168 315 D HN 0.590 nan 8.370 nan 0.000 0.445 316 L N 2.136 123.419 121.223 0.101 0.000 2.298 316 L HA 0.369 4.709 4.340 0.001 0.000 0.284 316 L C -0.558 176.368 176.870 0.093 0.000 1.013 316 L CA -0.048 54.895 54.840 0.170 0.000 0.824 316 L CB 1.444 43.633 42.059 0.216 0.000 1.221 316 L HN 0.186 nan 8.230 nan 0.000 0.418 317 T N 6.322 120.905 114.554 0.047 0.000 2.779 317 T HA 0.562 4.912 4.350 0.001 0.000 0.280 317 T C -0.369 174.318 174.700 -0.022 0.000 0.987 317 T CA -0.298 61.799 62.100 -0.006 0.000 0.966 317 T CB 0.818 69.680 68.868 -0.010 0.000 0.933 317 T HN 0.380 nan 8.240 nan 0.000 0.442 318 L N 2.928 124.121 121.223 -0.050 0.000 2.276 318 L HA 0.546 4.886 4.340 0.001 0.000 0.286 318 L C 0.167 176.952 176.870 -0.142 0.000 1.024 318 L CA -0.605 54.077 54.840 -0.262 0.000 0.826 318 L CB 1.269 42.965 42.059 -0.606 0.000 1.211 318 L HN 0.529 nan 8.230 nan 0.000 0.422 319 S N 1.788 117.443 115.700 -0.075 0.000 2.478 319 S HA 0.920 5.390 4.470 0.001 0.000 0.312 319 S C 0.169 174.877 174.600 0.179 0.000 1.094 319 S CA -0.510 57.767 58.200 0.129 0.000 1.081 319 S CB 1.963 65.217 63.200 0.089 0.000 1.007 319 S HN 0.909 nan 8.310 nan 0.000 0.475 320 G N 1.832 110.861 108.800 0.383 0.000 2.315 320 G HA2 0.443 4.404 3.960 0.001 0.000 0.294 320 G HA3 0.443 4.404 3.960 0.001 0.000 0.294 320 G C -1.724 173.400 174.900 0.374 0.000 1.300 320 G CA -0.889 44.405 45.100 0.324 0.000 0.843 320 G HN 0.627 nan 8.290 nan 0.000 0.527 321 F N -0.174 119.913 119.950 0.228 0.000 2.425 321 F HA 0.854 5.382 4.527 0.001 0.000 0.331 321 F C -0.095 175.659 175.800 -0.076 0.000 1.085 321 F CA -1.781 56.289 58.000 0.118 0.000 1.028 321 F CB 1.005 40.087 39.000 0.135 0.000 1.177 321 F HN 0.389 nan 8.300 nan 0.000 0.487 322 L N 4.338 125.614 121.223 0.088 0.000 2.380 322 L HA 0.391 4.731 4.340 0.001 0.000 0.273 322 L C 0.948 177.752 176.870 -0.110 0.000 1.138 322 L CA -0.633 54.065 54.840 -0.236 0.000 0.832 322 L CB 0.502 42.318 42.059 -0.404 0.000 1.124 322 L HN 0.728 nan 8.230 nan 0.000 0.454 323 R N 1.238 121.470 120.500 -0.445 0.000 2.924 323 R HA -0.097 4.244 4.340 0.001 0.000 0.272 323 R C 0.696 176.665 176.300 -0.552 0.000 1.012 323 R CA 0.550 56.124 56.100 -0.877 0.000 1.171 323 R CB 0.347 29.943 30.300 -1.173 0.000 1.086 323 R HN 0.703 nan 8.270 nan 0.000 0.489 324 W N -0.116 121.257 121.300 0.123 0.000 2.424 324 W HA 0.143 4.804 4.660 0.001 0.000 0.323 324 W C 1.744 178.292 176.519 0.047 0.000 1.175 324 W CA 0.815 58.201 57.345 0.068 0.000 1.312 324 W CB -1.142 28.355 29.460 0.062 0.000 1.186 324 W HN 0.610 nan 8.180 nan 0.000 0.463 325 G N 0.732 109.750 108.800 0.363 0.000 2.916 325 G HA2 0.359 4.319 3.960 0.001 0.000 0.205 325 G HA3 0.359 4.319 3.960 0.001 0.000 0.205 325 G C 0.452 175.446 174.900 0.156 0.000 1.163 325 G CA 0.452 45.712 45.100 0.267 0.000 0.821 325 G HN 0.827 nan 8.290 nan 0.000 0.515 326 G N -0.462 108.357 108.800 0.031 0.000 2.397 326 G HA2 0.356 4.317 3.960 0.001 0.000 0.453 326 G HA3 0.356 4.317 3.960 0.001 0.000 0.453 326 G C -0.928 173.895 174.900 -0.129 0.000 1.579 326 G CA -0.368 44.758 45.100 0.043 0.000 0.906 326 G HN 0.752 nan 8.290 nan 0.000 0.675 327 N N -0.480 117.889 118.700 -0.552 0.000 3.387 327 N HA 0.828 5.569 4.740 0.001 0.000 0.322 327 N C 0.944 175.767 175.510 -1.145 0.000 1.588 327 N CA -0.078 52.617 53.050 -0.591 0.000 0.778 327 N CB 1.087 39.346 38.487 -0.381 0.000 1.883 327 N HN 1.130 nan 8.380 nan 0.000 0.628 328 A N -1.765 120.846 122.820 -0.347 0.000 2.115 328 A HA 0.122 4.442 4.320 0.001 0.000 0.211 328 A C -0.056 177.537 177.584 0.015 0.000 1.169 328 A CA -0.444 51.584 52.037 -0.015 0.000 0.787 328 A CB -0.502 18.790 19.000 0.486 0.000 0.858 328 A HN 0.606 nan 8.150 nan 0.000 0.474 329 W N 1.869 122.958 121.300 -0.352 0.000 2.343 329 W HA -0.047 4.613 4.660 0.001 0.000 0.337 329 W C 1.141 177.221 176.519 -0.732 0.000 1.320 329 W CA 0.471 57.400 57.345 -0.692 0.000 1.290 329 W CB 0.279 29.132 29.460 -1.012 0.000 1.206 329 W HN 0.638 nan 8.180 nan 0.000 0.565 330 Y N 1.963 121.609 120.300 -1.091 0.000 2.365 330 Y HA -0.275 4.276 4.550 0.001 0.000 0.287 330 Y C 2.089 177.679 175.900 -0.517 0.000 1.162 330 Y CA 2.066 59.711 58.100 -0.758 0.000 1.260 330 Y CB -1.515 36.539 38.460 -0.677 0.000 0.976 330 Y HN 0.255 nan 8.280 nan 0.000 0.548 331 T N -4.420 109.541 114.554 -0.988 0.000 3.057 331 T HA -0.002 4.348 4.350 0.001 0.000 0.254 331 T C 0.413 174.979 174.700 -0.223 0.000 1.094 331 T CA 0.555 62.309 62.100 -0.577 0.000 1.088 331 T CB -0.665 67.940 68.868 -0.439 0.000 0.934 331 T HN 0.608 nan 8.240 nan 0.000 0.497 332 H N 1.938 120.858 119.070 -0.251 0.000 2.692 332 H HA -0.071 4.486 4.556 0.001 0.000 0.316 332 H C -2.187 173.027 175.328 -0.191 0.000 1.176 332 H CA 0.633 56.523 56.048 -0.262 0.000 1.142 332 H CB -1.925 27.669 29.762 -0.280 0.000 1.475 332 H HN 0.500 nan 8.280 nan 0.000 0.423 333 P HA -0.021 nan 4.420 nan 0.000 0.269 333 P C 0.608 177.884 177.300 -0.040 0.000 1.211 333 P CA 0.507 63.576 63.100 -0.053 0.000 0.781 333 P CB 0.691 32.363 31.700 -0.046 0.000 0.877 334 D N -1.584 118.815 120.400 -0.002 0.000 2.525 334 D HA -0.045 4.595 4.640 0.001 0.000 0.231 334 D C 0.727 177.056 176.300 0.048 0.000 1.216 334 D CA -0.175 53.841 54.000 0.027 0.000 0.813 334 D CB -0.970 39.850 40.800 0.034 0.000 1.108 334 D HN 0.210 nan 8.370 nan 0.000 0.524 335 N N 1.898 120.620 118.700 0.036 0.000 2.449 335 N HA -0.102 4.638 4.740 0.001 0.000 0.191 335 N C 0.414 175.952 175.510 0.046 0.000 1.161 335 N CA -0.023 53.051 53.050 0.040 0.000 0.863 335 N CB -0.192 38.315 38.487 0.033 0.000 0.980 335 N HN 0.207 nan 8.380 nan 0.000 0.458 336 R N 0.158 120.693 120.500 0.060 0.000 3.205 336 R HA -0.102 4.238 4.340 0.001 0.000 0.249 336 R C -2.500 173.817 176.300 0.027 0.000 0.937 336 R CA 0.216 56.341 56.100 0.041 0.000 0.641 336 R CB -1.103 29.197 30.300 -0.000 0.000 1.114 336 R HN 0.337 nan 8.270 nan 0.000 0.451 337 P HA 0.134 nan 4.420 nan 0.000 0.284 337 P C -0.709 176.764 177.300 0.290 0.000 1.253 337 P CA -0.412 62.793 63.100 0.175 0.000 0.800 337 P CB 0.715 32.538 31.700 0.205 0.000 0.961 338 N N 1.838 120.674 118.700 0.225 0.000 2.395 338 N HA -0.004 4.736 4.740 0.001 0.000 0.246 338 N C -0.404 175.264 175.510 0.263 0.000 1.246 338 N CA 0.603 53.812 53.050 0.264 0.000 0.879 338 N CB 0.258 38.838 38.487 0.155 0.000 1.098 338 N HN 0.574 nan 8.380 nan 0.000 0.444 339 W N 1.441 122.794 121.300 0.089 0.000 3.259 339 W HA 0.253 4.913 4.660 0.001 0.000 0.331 339 W C -1.489 175.129 176.519 0.166 0.000 1.144 339 W CA -0.416 56.947 57.345 0.030 0.000 1.227 339 W CB 1.269 30.666 29.460 -0.105 0.000 1.371 339 W HN 0.392 nan 8.180 nan 0.000 0.491 340 N N 3.206 121.857 118.700 -0.082 0.000 2.354 340 N HA 0.364 5.104 4.740 0.001 0.000 0.287 340 N C -1.544 174.066 175.510 0.167 0.000 1.016 340 N CA -0.245 52.859 53.050 0.091 0.000 0.871 340 N CB 1.492 39.955 38.487 -0.041 0.000 1.299 340 N HN 0.394 nan 8.380 nan 0.000 0.482 341 H N -0.551 118.646 119.070 0.211 0.000 3.087 341 H HA 0.462 5.018 4.556 0.001 0.000 0.348 341 H C -1.388 173.943 175.328 0.006 0.000 1.092 341 H CA -0.656 55.496 56.048 0.175 0.000 1.285 341 H CB 1.113 31.170 29.762 0.493 0.000 1.875 341 H HN 0.455 nan 8.280 nan 0.000 0.512 342 T N 3.539 117.682 114.554 -0.685 0.000 2.856 342 T HA 0.618 4.969 4.350 0.001 0.000 0.283 342 T C -1.044 173.239 174.700 -0.694 0.000 1.008 342 T CA -0.465 61.330 62.100 -0.507 0.000 0.997 342 T CB 0.488 69.215 68.868 -0.234 0.000 0.992 342 T HN 0.223 nan 8.240 nan 0.000 0.454 343 F N 1.962 121.800 119.950 -0.186 0.000 2.483 343 F HA 0.660 5.188 4.527 0.001 0.000 0.329 343 F C 0.042 175.746 175.800 -0.159 0.000 1.064 343 F CA -1.082 56.837 58.000 -0.135 0.000 0.986 343 F CB 2.008 40.976 39.000 -0.054 0.000 1.218 343 F HN 0.349 nan 8.300 nan 0.000 0.484 344 V N 4.416 124.362 119.914 0.054 0.000 2.313 344 V HA 0.264 4.385 4.120 0.001 0.000 0.278 344 V C -0.266 175.735 176.094 -0.155 0.000 1.017 344 V CA -0.615 61.626 62.300 -0.098 0.000 0.823 344 V CB 0.798 32.540 31.823 -0.134 0.000 1.010 344 V HN 0.368 nan 8.190 nan 0.000 0.443 345 I N 5.354 125.729 120.570 -0.326 0.000 2.278 345 I HA 0.681 4.851 4.170 0.001 0.000 0.296 345 I C 0.921 176.789 176.117 -0.415 0.000 1.121 345 I CA 0.650 61.685 61.300 -0.442 0.000 1.267 345 I CB -0.297 37.218 38.000 -0.807 0.000 1.447 345 I HN 0.809 nan 8.210 nan 0.000 0.509 346 G N 8.175 116.841 108.800 -0.223 0.000 2.398 346 G HA2 0.209 4.169 3.960 0.001 0.000 0.251 346 G HA3 0.209 4.169 3.960 0.001 0.000 0.251 346 G C -3.096 171.763 174.900 -0.068 0.000 1.277 346 G CA -0.673 44.343 45.100 -0.141 0.000 0.927 346 G HN 0.299 nan 8.290 nan 0.000 0.477 347 P HA 0.310 nan 4.420 nan 0.000 0.267 347 P C -0.318 177.000 177.300 0.031 0.000 1.200 347 P CA -0.139 62.971 63.100 0.017 0.000 0.772 347 P CB 0.174 31.884 31.700 0.017 0.000 0.855 348 Y N 2.339 122.618 120.300 -0.036 0.000 2.709 348 Y HA -0.127 4.423 4.550 0.001 0.000 0.348 348 Y C 1.394 177.264 175.900 -0.050 0.000 1.267 348 Y CA 1.086 59.163 58.100 -0.039 0.000 1.486 348 Y CB 0.548 38.990 38.460 -0.029 0.000 1.356 348 Y HN 0.320 nan 8.280 nan 0.000 0.639 349 K N 1.146 120.908 120.400 -1.064 0.000 3.010 349 K HA 0.161 4.482 4.320 0.001 0.000 0.205 349 K C -1.128 174.861 176.600 -1.018 0.000 1.704 349 K CA 0.684 56.543 56.287 -0.713 0.000 1.297 349 K CB 0.187 32.443 32.500 -0.407 0.000 2.032 349 K HN 0.789 nan 8.250 nan 0.000 0.573 350 D N -0.771 118.930 120.400 -1.166 0.000 2.623 350 D HA 0.267 4.907 4.640 0.001 0.000 0.241 350 D C 0.194 176.163 176.300 -0.553 0.000 1.241 350 D CA -0.687 52.895 54.000 -0.698 0.000 0.788 350 D CB 1.314 41.905 40.800 -0.348 0.000 1.413 350 D HN -0.199 nan 8.370 nan 0.000 0.429 351 K N 0.264 120.445 120.400 -0.366 0.000 2.044 351 K HA -0.153 4.168 4.320 0.001 0.000 0.210 351 K C 2.055 178.245 176.600 -0.683 0.000 1.049 351 K CA 1.839 57.853 56.287 -0.455 0.000 0.927 351 K CB -0.447 31.806 32.500 -0.412 0.000 0.713 351 K HN 0.492 nan 8.250 nan 0.000 0.443 352 A N 1.532 123.697 122.820 -1.090 0.000 1.917 352 A HA -0.183 4.138 4.320 0.001 0.000 0.219 352 A C 1.981 179.328 177.584 -0.394 0.000 1.182 352 A CA 2.256 53.513 52.037 -1.300 0.000 0.633 352 A CB -0.555 17.946 19.000 -0.831 0.000 0.819 352 A HN 0.413 nan 8.150 nan 0.000 0.448 353 S N -1.418 114.124 115.700 -0.264 0.000 2.622 353 S HA 0.372 4.842 4.470 0.001 0.000 0.236 353 S C 0.308 174.975 174.600 0.112 0.000 0.956 353 S CA 0.329 58.481 58.200 -0.079 0.000 0.971 353 S CB -0.186 62.903 63.200 -0.185 0.000 0.782 353 S HN 0.394 nan 8.310 nan 0.000 0.468 354 S N 0.862 116.651 115.700 0.149 0.000 2.667 354 S HA 0.501 4.971 4.470 0.001 0.000 0.304 354 S C 0.791 175.559 174.600 0.281 0.000 1.135 354 S CA -0.829 57.491 58.200 0.200 0.000 1.125 354 S CB -0.011 63.326 63.200 0.228 0.000 0.996 354 S HN 0.425 nan 8.310 nan 0.000 0.474 355 I N 4.056 124.713 120.570 0.145 0.000 2.226 355 I HA -0.168 4.002 4.170 0.001 0.000 0.245 355 I C 2.748 178.926 176.117 0.101 0.000 1.100 355 I CA 1.031 62.345 61.300 0.023 0.000 1.374 355 I CB -0.185 37.617 38.000 -0.330 0.000 1.057 355 I HN 0.597 nan 8.210 nan 0.000 0.413 356 R N -0.212 120.331 120.500 0.072 0.000 2.083 356 R HA -0.245 4.095 4.340 0.001 0.000 0.237 356 R C 2.432 178.841 176.300 0.182 0.000 1.137 356 R CA 2.060 58.212 56.100 0.087 0.000 0.951 356 R CB -0.533 29.806 30.300 0.064 0.000 0.851 356 R HN 0.325 nan 8.270 nan 0.000 0.434 357 Y N 1.526 121.909 120.300 0.139 0.000 2.114 357 Y HA -0.276 4.274 4.550 0.001 0.000 0.284 357 Y C 2.201 178.198 175.900 0.162 0.000 1.143 357 Y CA 1.844 60.031 58.100 0.143 0.000 1.135 357 Y CB -0.159 38.410 38.460 0.183 0.000 0.980 357 Y HN 0.094 nan 8.280 nan 0.000 0.499 358 Q N -0.913 119.039 119.800 0.254 0.000 2.181 358 Q HA -0.264 4.077 4.340 0.001 0.000 0.205 358 Q C 2.159 178.231 176.000 0.119 0.000 0.980 358 Q CA 1.637 57.569 55.803 0.216 0.000 0.862 358 Q CB -0.631 28.345 28.738 0.396 0.000 0.905 358 Q HN 0.729 nan 8.270 nan 0.000 0.429 359 W N 1.717 122.986 121.300 -0.051 0.000 2.407 359 W HA -0.140 4.520 4.660 0.001 0.000 0.305 359 W C 0.723 177.112 176.519 -0.217 0.000 1.196 359 W CA 1.203 58.479 57.345 -0.115 0.000 1.311 359 W CB 0.005 29.402 29.460 -0.105 0.000 1.135 359 W HN 0.144 nan 8.180 nan 0.000 0.514 360 D N 0.338 120.745 120.400 0.012 0.000 2.219 360 D HA -0.111 4.529 4.640 0.001 0.000 0.205 360 D C 1.605 177.725 176.300 -0.300 0.000 0.970 360 D CA 1.195 55.105 54.000 -0.150 0.000 0.851 360 D CB -0.088 40.666 40.800 -0.076 0.000 0.943 360 D HN 0.128 nan 8.370 nan 0.000 0.488 361 K N 0.732 120.918 120.400 -0.356 0.000 2.399 361 K HA 0.102 4.423 4.320 0.001 0.000 0.204 361 K C 1.697 178.163 176.600 -0.223 0.000 1.023 361 K CA -0.154 55.940 56.287 -0.323 0.000 1.127 361 K CB 0.937 33.135 32.500 -0.502 0.000 0.856 361 K HN 0.248 nan 8.250 nan 0.000 0.514 362 R N -0.112 120.213 120.500 -0.291 0.000 2.133 362 R HA -0.173 4.168 4.340 0.001 0.000 0.247 362 R C 0.747 177.016 176.300 -0.052 0.000 1.151 362 R CA 1.540 57.510 56.100 -0.217 0.000 0.971 362 R CB -0.630 29.421 30.300 -0.415 0.000 0.866 362 R HN 0.037 nan 8.270 nan 0.000 0.447 363 Y N 1.073 121.280 120.300 -0.154 0.000 2.632 363 Y HA 0.251 4.801 4.550 0.001 0.000 0.301 363 Y C 0.609 176.460 175.900 -0.082 0.000 1.172 363 Y CA -0.664 57.366 58.100 -0.117 0.000 1.328 363 Y CB -0.077 38.306 38.460 -0.128 0.000 1.016 363 Y HN 0.036 nan 8.280 nan 0.000 0.529 364 I N 1.540 122.149 120.570 0.066 0.000 2.412 364 I HA 0.157 4.328 4.170 0.001 0.000 0.279 364 I C -1.589 174.540 176.117 0.020 0.000 1.063 364 I CA -1.825 59.495 61.300 0.033 0.000 1.193 364 I CB 1.554 39.564 38.000 0.017 0.000 1.370 364 I HN -0.129 nan 8.210 nan 0.000 0.479 365 P HA -0.255 nan 4.420 nan 0.000 0.222 365 P C 1.671 178.960 177.300 -0.019 0.000 1.157 365 P CA 1.631 64.732 63.100 0.002 0.000 0.905 365 P CB 0.207 31.907 31.700 0.001 0.000 0.792 366 G N -0.856 107.938 108.800 -0.010 0.000 2.448 366 G HA2 -0.221 3.740 3.960 0.001 0.000 0.219 366 G HA3 -0.221 3.740 3.960 0.001 0.000 0.219 366 G C 1.501 176.382 174.900 -0.032 0.000 1.127 366 G CA 0.517 45.603 45.100 -0.023 0.000 0.766 366 G HN 0.230 nan 8.290 nan 0.000 0.552 367 E N -0.096 120.111 120.200 0.013 0.000 2.112 367 E HA -0.015 4.336 4.350 0.001 0.000 0.190 367 E C 1.529 178.149 176.600 0.033 0.000 0.979 367 E CA -0.045 56.407 56.400 0.086 0.000 0.814 367 E CB -0.514 29.264 29.700 0.129 0.000 0.762 367 E HN 0.175 nan 8.360 nan 0.000 0.460 368 V N 3.136 123.017 119.914 -0.055 0.000 2.382 368 V HA -0.059 4.061 4.120 0.001 0.000 0.250 368 V C 0.540 176.304 176.094 -0.549 0.000 1.069 368 V CA 0.734 62.948 62.300 -0.144 0.000 1.130 368 V CB -0.563 31.213 31.823 -0.079 0.000 1.165 368 V HN 0.096 nan 8.190 nan 0.000 0.483 369 K N 5.506 125.352 120.400 -0.924 0.000 2.413 369 K HA 0.215 4.536 4.320 0.001 0.000 0.204 369 K C 0.283 175.368 176.600 -2.526 0.000 1.041 369 K CA -0.080 55.045 56.287 -1.937 0.000 1.082 369 K CB 0.552 31.760 32.500 -2.153 0.000 0.871 369 K HN 0.713 nan 8.250 nan 0.000 0.535 370 W N -0.379 120.221 121.300 -1.166 0.000 4.483 370 W HA 0.187 4.847 4.660 0.001 0.000 0.254 370 W C -0.415 175.224 176.519 -1.466 0.000 3.468 370 W CA -0.404 56.043 57.345 -1.496 0.000 1.148 370 W CB -0.511 28.523 29.460 -0.709 0.000 2.114 370 W HN -0.149 nan 8.180 nan 0.000 0.351 371 W N 2.945 124.139 121.300 -0.178 0.000 2.365 371 W HA 0.335 4.996 4.660 0.001 0.000 0.316 371 W C -0.325 176.210 176.519 0.026 0.000 1.164 371 W CA -0.093 57.254 57.345 0.002 0.000 1.204 371 W CB 0.533 30.149 29.460 0.260 0.000 1.213 371 W HN -0.088 nan 8.180 nan 0.000 0.539 372 D N 3.144 123.703 120.400 0.264 0.000 2.392 372 D HA 0.202 4.842 4.640 0.001 0.000 0.228 372 D C 0.039 176.526 176.300 0.312 0.000 1.074 372 D CA -0.423 53.706 54.000 0.214 0.000 0.838 372 D CB 0.901 41.789 40.800 0.147 0.000 1.067 372 D HN 0.455 nan 8.370 nan 0.000 0.511 373 L N 2.778 124.147 121.223 0.244 0.000 2.627 373 L HA 0.136 4.477 4.340 0.001 0.000 0.233 373 L C 1.580 178.482 176.870 0.054 0.000 1.144 373 L CA -0.172 54.803 54.840 0.224 0.000 0.892 373 L CB -0.436 41.788 42.059 0.274 0.000 1.039 373 L HN 0.492 nan 8.230 nan 0.000 0.442 374 N N -0.080 118.665 118.700 0.075 0.000 2.300 374 N HA -0.163 4.577 4.740 0.001 0.000 0.179 374 N C 1.579 177.170 175.510 0.136 0.000 1.016 374 N CA 0.897 53.978 53.050 0.052 0.000 0.876 374 N CB -0.007 38.545 38.487 0.108 0.000 0.979 374 N HN 0.478 nan 8.380 nan 0.000 0.432 375 W N 2.284 123.631 121.300 0.078 0.000 2.388 375 W HA -0.128 4.533 4.660 0.001 0.000 0.294 375 W C 2.346 178.912 176.519 0.079 0.000 1.212 375 W CA 2.198 59.605 57.345 0.102 0.000 1.271 375 W CB -0.503 29.090 29.460 0.221 0.000 1.126 375 W HN 0.039 nan 8.180 nan 0.000 0.535 376 T N -1.525 113.138 114.554 0.183 0.000 2.867 376 T HA -0.194 4.156 4.350 0.001 0.000 0.268 376 T C 1.821 176.415 174.700 -0.177 0.000 1.057 376 T CA 1.666 63.732 62.100 -0.057 0.000 1.136 376 T CB -0.698 68.280 68.868 0.184 0.000 0.874 376 T HN 0.279 nan 8.240 nan 0.000 0.466 377 I N 2.117 122.635 120.570 -0.087 0.000 2.439 377 I HA -0.146 4.025 4.170 0.001 0.000 0.251 377 I C 2.998 179.026 176.117 -0.149 0.000 1.139 377 I CA 1.362 62.604 61.300 -0.096 0.000 1.438 377 I CB -0.442 37.500 38.000 -0.095 0.000 1.085 377 I HN 0.484 nan 8.210 nan 0.000 0.427 378 Q N 0.115 119.799 119.800 -0.193 0.000 2.311 378 Q HA -0.127 4.213 4.340 0.001 0.000 0.203 378 Q C 1.723 177.547 176.000 -0.293 0.000 0.954 378 Q CA 0.664 56.346 55.803 -0.201 0.000 0.885 378 Q CB -0.136 28.503 28.738 -0.164 0.000 0.963 378 Q HN 0.499 nan 8.270 nan 0.000 0.471 379 Q N 0.467 119.992 119.800 -0.458 0.000 2.250 379 Q HA 0.100 4.440 4.340 0.001 0.000 0.200 379 Q C 0.866 176.697 176.000 -0.281 0.000 0.941 379 Q CA 0.746 56.261 55.803 -0.480 0.000 0.872 379 Q CB 0.441 28.667 28.738 -0.854 0.000 0.965 379 Q HN 0.554 nan 8.270 nan 0.000 0.480 380 N N -0.772 117.768 118.700 -0.266 0.000 2.143 380 N HA 0.190 4.930 4.740 0.001 0.000 0.222 380 N C 0.117 175.524 175.510 -0.171 0.000 1.264 380 N CA 0.767 53.685 53.050 -0.219 0.000 0.897 380 N CB 2.236 40.494 38.487 -0.381 0.000 1.092 380 N HN 0.144 nan 8.380 nan 0.000 0.516 381 G N 1.391 110.106 108.800 -0.141 0.000 2.692 381 G HA2 -0.206 3.754 3.960 0.001 0.000 0.686 381 G HA3 -0.206 3.754 3.960 0.001 0.000 0.686 381 G C 0.315 175.179 174.900 -0.061 0.000 1.243 381 G CA -0.477 44.570 45.100 -0.088 0.000 0.782 381 G HN 0.091 nan 8.290 nan 0.000 0.625 382 L N 1.840 123.053 121.223 -0.017 0.000 2.017 382 L HA 0.057 4.397 4.340 0.001 0.000 0.208 382 L C 2.993 179.901 176.870 0.064 0.000 1.073 382 L CA 3.322 58.189 54.840 0.045 0.000 0.745 382 L CB -0.984 41.105 42.059 0.050 0.000 0.894 382 L HN 1.225 nan 8.230 nan 0.000 0.432 383 S N -1.430 114.279 115.700 0.016 0.000 2.365 383 S HA -0.274 4.196 4.470 0.001 0.000 0.221 383 S C 2.005 176.574 174.600 -0.053 0.000 1.037 383 S CA 2.318 60.515 58.200 -0.005 0.000 1.060 383 S CB -0.731 62.459 63.200 -0.017 0.000 0.974 383 S HN 0.645 nan 8.310 nan 0.000 0.427 384 T N 2.455 116.951 114.554 -0.097 0.000 2.680 384 T HA -0.163 4.188 4.350 0.001 0.000 0.268 384 T C 1.848 176.414 174.700 -0.224 0.000 1.033 384 T CA 1.849 63.847 62.100 -0.171 0.000 1.152 384 T CB -0.324 68.401 68.868 -0.238 0.000 0.859 384 T HN 0.312 nan 8.240 nan 0.000 0.452 385 M N 1.196 120.682 119.600 -0.190 0.000 2.236 385 M HA -0.018 4.462 4.480 0.001 0.000 0.266 385 M C 2.490 178.624 176.300 -0.276 0.000 1.070 385 M CA 1.314 56.495 55.300 -0.198 0.000 1.137 385 M CB -1.106 31.531 32.600 0.061 0.000 1.378 385 M HN 0.528 nan 8.290 nan 0.000 0.426 386 Q N -0.818 118.867 119.800 -0.192 0.000 2.245 386 Q HA -0.084 4.257 4.340 0.001 0.000 0.201 386 Q C 1.333 177.186 176.000 -0.246 0.000 0.955 386 Q CA 1.127 56.730 55.803 -0.333 0.000 0.870 386 Q CB -0.377 28.307 28.738 -0.090 0.000 0.945 386 Q HN 0.360 nan 8.270 nan 0.000 0.461 387 N N 1.082 119.688 118.700 -0.157 0.000 2.270 387 N HA -0.121 4.619 4.740 0.001 0.000 0.181 387 N C 1.323 176.756 175.510 -0.127 0.000 1.016 387 N CA 1.435 54.412 53.050 -0.122 0.000 0.870 387 N CB -0.260 38.171 38.487 -0.092 0.000 0.979 387 N HN 0.458 nan 8.380 nan 0.000 0.431 388 N N 0.921 119.540 118.700 -0.135 0.000 2.207 388 N HA 0.036 4.777 4.740 0.001 0.000 0.182 388 N C 1.563 176.991 175.510 -0.136 0.000 1.020 388 N CA 0.615 53.619 53.050 -0.076 0.000 0.858 388 N CB -0.081 38.442 38.487 0.059 0.000 0.991 388 N HN 0.082 nan 8.380 nan 0.000 0.427 389 L N -0.202 120.865 121.223 -0.260 0.000 2.275 389 L HA 0.057 4.398 4.340 0.001 0.000 0.215 389 L C 2.305 179.010 176.870 -0.276 0.000 1.119 389 L CA 0.855 55.493 54.840 -0.336 0.000 0.790 389 L CB -0.620 41.081 42.059 -0.596 0.000 0.919 389 L HN 0.270 nan 8.230 nan 0.000 0.443 390 A N -0.070 122.609 122.820 -0.234 0.000 1.969 390 A HA -0.131 4.189 4.320 0.001 0.000 0.218 390 A C 2.404 179.923 177.584 -0.108 0.000 1.169 390 A CA 0.995 52.933 52.037 -0.165 0.000 0.635 390 A CB -0.229 18.691 19.000 -0.134 0.000 0.810 390 A HN 0.227 nan 8.150 nan 0.000 0.445 391 R N -0.453 119.991 120.500 -0.093 0.000 2.062 391 R HA -0.017 4.323 4.340 0.001 0.000 0.226 391 R C 2.137 178.412 176.300 -0.042 0.000 1.125 391 R CA 1.390 57.460 56.100 -0.050 0.000 0.966 391 R CB -1.237 29.041 30.300 -0.036 0.000 0.861 391 R HN 0.409 nan 8.270 nan 0.000 0.433 392 V N 1.772 121.636 119.914 -0.084 0.000 2.332 392 V HA -0.186 3.935 4.120 0.001 0.000 0.248 392 V C 2.165 178.220 176.094 -0.066 0.000 1.055 392 V CA 1.539 63.785 62.300 -0.091 0.000 1.038 392 V CB -0.410 31.312 31.823 -0.167 0.000 0.651 392 V HN 0.208 nan 8.190 nan 0.000 0.450 393 L N -0.596 120.566 121.223 -0.103 0.000 2.611 393 L HA 0.182 4.523 4.340 0.001 0.000 0.229 393 L C 1.273 178.114 176.870 -0.047 0.000 1.137 393 L CA -0.073 54.711 54.840 -0.093 0.000 0.901 393 L CB -0.278 41.699 42.059 -0.136 0.000 1.098 393 L HN 0.157 nan 8.230 nan 0.000 0.456 394 R N 3.473 123.961 120.500 -0.020 0.000 2.488 394 R HA 0.035 4.375 4.340 0.001 0.000 0.317 394 R C -1.990 174.329 176.300 0.031 0.000 0.941 394 R CA -1.188 54.913 56.100 0.002 0.000 1.076 394 R CB 0.322 30.633 30.300 0.019 0.000 0.917 394 R HN -0.056 nan 8.270 nan 0.000 0.407 395 P HA -0.041 nan 4.420 nan 0.000 0.263 395 P C -0.821 176.514 177.300 0.059 0.000 1.195 395 P CA 0.106 63.224 63.100 0.031 0.000 0.762 395 P CB 0.849 32.557 31.700 0.013 0.000 0.799 396 V N 5.727 125.698 119.914 0.095 0.000 2.435 396 V HA 0.499 4.619 4.120 0.001 0.000 0.290 396 V C 0.673 176.831 176.094 0.107 0.000 1.030 396 V CA -0.511 61.857 62.300 0.113 0.000 0.881 396 V CB 1.203 33.133 31.823 0.179 0.000 0.983 396 V HN 0.616 nan 8.190 nan 0.000 0.445 397 R N 3.379 123.927 120.500 0.080 0.000 2.651 397 R HA 0.903 5.244 4.340 0.001 0.000 0.278 397 R C -0.945 175.391 176.300 0.060 0.000 1.010 397 R CA -0.733 55.414 56.100 0.078 0.000 0.896 397 R CB 2.184 32.516 30.300 0.052 0.000 1.211 397 R HN 0.688 nan 8.270 nan 0.000 0.456 398 A N 1.319 124.179 122.820 0.067 0.000 2.324 398 A HA 0.749 5.070 4.320 0.001 0.000 0.330 398 A C 0.091 177.691 177.584 0.026 0.000 1.165 398 A CA -0.625 51.430 52.037 0.030 0.000 0.813 398 A CB 1.422 20.430 19.000 0.013 0.000 1.197 398 A HN 0.821 nan 8.150 nan 0.000 0.484 399 G N 1.044 109.856 108.800 0.020 0.000 2.380 399 G HA2 0.493 4.453 3.960 0.001 0.000 0.262 399 G HA3 0.493 4.453 3.960 0.001 0.000 0.262 399 G C -0.325 174.616 174.900 0.067 0.000 1.243 399 G CA -0.240 44.883 45.100 0.039 0.000 0.865 399 G HN 0.492 nan 8.290 nan 0.000 0.513 400 I N 3.079 123.703 120.570 0.090 0.000 2.359 400 I HA 0.289 4.459 4.170 0.001 0.000 0.284 400 I C 0.763 176.994 176.117 0.191 0.000 1.018 400 I CA -0.384 60.990 61.300 0.125 0.000 1.173 400 I CB 0.555 38.546 38.000 -0.014 0.000 1.326 400 I HN 0.581 nan 8.210 nan 0.000 0.462 401 T N 2.113 116.720 114.554 0.087 0.000 2.927 401 T HA 0.988 5.338 4.350 0.001 0.000 0.286 401 T C 0.015 174.491 174.700 -0.374 0.000 1.040 401 T CA -0.662 61.311 62.100 -0.212 0.000 1.010 401 T CB 2.869 71.675 68.868 -0.103 0.000 1.177 401 T HN 0.865 nan 8.240 nan 0.000 0.546 402 G N 0.047 108.405 108.800 -0.737 0.000 2.327 402 G HA2 0.416 4.377 3.960 0.001 0.000 0.291 402 G HA3 0.416 4.377 3.960 0.001 0.000 0.291 402 G C -2.305 172.577 174.900 -0.030 0.000 1.290 402 G CA -0.821 44.123 45.100 -0.261 0.000 0.857 402 G HN 0.770 nan 8.290 nan 0.000 0.520 403 D N -0.247 120.334 120.400 0.302 0.000 2.185 403 D HA 0.632 5.272 4.640 0.001 0.000 0.247 403 D C -1.228 175.328 176.300 0.427 0.000 1.027 403 D CA 0.029 54.223 54.000 0.325 0.000 0.861 403 D CB 2.389 43.270 40.800 0.135 0.000 1.202 403 D HN 0.259 nan 8.370 nan 0.000 0.453 404 F N 1.078 121.107 119.950 0.131 0.000 2.495 404 F HA 0.483 5.011 4.527 0.001 0.000 0.327 404 F C -0.580 175.056 175.800 -0.273 0.000 1.103 404 F CA -0.416 57.500 58.000 -0.140 0.000 0.949 404 F CB 1.777 40.595 39.000 -0.302 0.000 1.142 404 F HN 0.125 nan 8.300 nan 0.000 0.457 405 S N 3.885 118.909 115.700 -1.127 0.000 2.536 405 S HA 0.921 5.392 4.470 0.001 0.000 0.271 405 S C -1.578 172.528 174.600 -0.823 0.000 1.134 405 S CA -0.064 57.714 58.200 -0.702 0.000 0.897 405 S CB 1.300 64.286 63.200 -0.356 0.000 1.094 405 S HN 1.353 nan 8.310 nan 0.000 0.473 406 A N 2.874 125.454 122.820 -0.400 0.000 2.594 406 A HA 0.759 5.079 4.320 0.001 0.000 0.296 406 A C -1.340 176.234 177.584 -0.017 0.000 1.061 406 A CA -0.608 51.318 52.037 -0.186 0.000 0.689 406 A CB 1.583 20.509 19.000 -0.123 0.000 1.280 406 A HN 0.772 nan 8.150 nan 0.000 0.406 407 E N 0.469 120.680 120.200 0.018 0.000 2.293 407 E HA 0.746 5.096 4.350 0.001 0.000 0.270 407 E C -0.608 176.037 176.600 0.077 0.000 0.879 407 E CA -0.233 56.199 56.400 0.054 0.000 0.756 407 E CB 1.825 31.540 29.700 0.025 0.000 1.208 407 E HN 1.127 nan 8.360 nan 0.000 0.428 408 S N 3.009 118.781 115.700 0.120 0.000 2.625 408 S HA 0.520 4.990 4.470 0.001 0.000 0.271 408 S C -1.411 173.279 174.600 0.149 0.000 1.161 408 S CA -1.106 57.175 58.200 0.135 0.000 0.820 408 S CB 1.820 65.137 63.200 0.195 0.000 1.137 408 S HN 0.422 nan 8.310 nan 0.000 0.470 409 Q N 0.938 120.781 119.800 0.073 0.000 2.356 409 Q HA 0.704 5.044 4.340 0.001 0.000 0.270 409 Q C -1.286 174.782 176.000 0.114 0.000 1.058 409 Q CA -0.514 55.251 55.803 -0.064 0.000 0.802 409 Q CB 1.750 30.170 28.738 -0.529 0.000 1.303 409 Q HN 0.866 nan 8.270 nan 0.000 0.444 410 F N -1.268 118.856 119.950 0.289 0.000 2.645 410 F HA 0.901 5.429 4.527 0.001 0.000 0.310 410 F C -1.187 174.924 175.800 0.518 0.000 1.102 410 F CA -1.459 56.782 58.000 0.401 0.000 0.952 410 F CB 1.102 40.273 39.000 0.284 0.000 1.326 410 F HN 0.568 nan 8.300 nan 0.000 0.456 411 A N 0.901 124.097 122.820 0.626 0.000 2.282 411 A HA 0.848 5.169 4.320 0.001 0.000 0.319 411 A C 0.237 178.105 177.584 0.474 0.000 1.121 411 A CA -0.215 52.007 52.037 0.310 0.000 0.836 411 A CB 0.506 19.494 19.000 -0.022 0.000 1.146 411 A HN 1.405 nan 8.150 nan 0.000 0.494 412 G N 0.175 109.197 108.800 0.369 0.000 2.537 412 G HA2 0.410 4.370 3.960 0.001 0.000 0.297 412 G HA3 0.410 4.370 3.960 0.001 0.000 0.297 412 G C -0.168 174.866 174.900 0.223 0.000 1.310 412 G CA -0.777 44.557 45.100 0.389 0.000 1.027 412 G HN 0.752 nan 8.290 nan 0.000 0.505 413 N N -0.720 118.084 118.700 0.172 0.000 2.444 413 N HA 0.081 4.821 4.740 0.001 0.000 0.255 413 N C 0.161 175.721 175.510 0.082 0.000 1.255 413 N CA -0.016 53.106 53.050 0.121 0.000 0.933 413 N CB 1.276 39.821 38.487 0.095 0.000 1.143 413 N HN 0.240 nan 8.380 nan 0.000 0.453 414 I N 1.621 122.231 120.570 0.066 0.000 2.505 414 I HA -0.024 4.146 4.170 0.001 0.000 0.287 414 I C 0.567 176.701 176.117 0.028 0.000 1.104 414 I CA 0.408 61.729 61.300 0.035 0.000 1.387 414 I CB 0.090 38.114 38.000 0.039 0.000 1.404 414 I HN 0.241 nan 8.210 nan 0.000 0.528 415 E N 6.946 127.150 120.200 0.007 0.000 2.207 415 E HA 0.564 4.914 4.350 0.001 0.000 0.270 415 E C -0.943 175.651 176.600 -0.010 0.000 0.927 415 E CA -0.920 55.484 56.400 0.006 0.000 0.799 415 E CB 2.464 32.167 29.700 0.005 0.000 1.172 415 E HN 0.324 nan 8.360 nan 0.000 0.404 416 I N 1.961 122.533 120.570 0.003 0.000 2.404 416 I HA 0.330 4.501 4.170 0.001 0.000 0.293 416 I C 0.780 176.900 176.117 0.006 0.000 0.992 416 I CA -0.344 60.959 61.300 0.005 0.000 1.149 416 I CB 0.981 38.997 38.000 0.026 0.000 1.315 416 I HN 0.646 nan 8.210 nan 0.000 0.446 417 G N 3.864 112.663 108.800 -0.002 0.000 2.525 417 G HA2 0.605 4.565 3.960 0.001 0.000 0.287 417 G HA3 0.605 4.565 3.960 0.001 0.000 0.287 417 G C -0.393 174.536 174.900 0.049 0.000 1.350 417 G CA -0.500 44.607 45.100 0.011 0.000 1.039 417 G HN 0.741 nan 8.290 nan 0.000 0.513 418 A N 0.757 123.612 122.820 0.059 0.000 2.363 418 A HA 0.626 4.947 4.320 0.001 0.000 0.270 418 A C -1.794 175.851 177.584 0.102 0.000 1.121 418 A CA -1.093 50.985 52.037 0.068 0.000 0.800 418 A CB 0.187 19.220 19.000 0.056 0.000 1.052 418 A HN 0.508 nan 8.150 nan 0.000 0.493 419 P HA 0.286 nan 4.420 nan 0.000 0.271 419 P C -0.630 176.714 177.300 0.072 0.000 1.216 419 P CA 0.139 63.293 63.100 0.090 0.000 0.771 419 P CB 0.948 32.684 31.700 0.060 0.000 0.864 420 V N 0.432 120.383 119.914 0.062 0.000 2.524 420 V HA 0.436 4.557 4.120 0.001 0.000 0.297 420 V C -2.843 173.225 176.094 -0.044 0.000 1.035 420 V CA -2.999 59.312 62.300 0.017 0.000 0.867 420 V CB 1.141 32.986 31.823 0.037 0.000 1.004 420 V HN 0.254 nan 8.190 nan 0.000 0.426 421 P HA -0.018 nan 4.420 nan 0.000 0.257 421 P C 0.176 177.419 177.300 -0.096 0.000 1.144 421 P CA 0.551 63.618 63.100 -0.054 0.000 0.761 421 P CB 0.187 31.865 31.700 -0.037 0.000 0.734 422 L N 2.248 123.410 121.223 -0.103 0.000 2.601 422 L HA -0.013 4.327 4.340 0.001 0.000 0.277 422 L C 1.437 178.243 176.870 -0.107 0.000 1.219 422 L CA -0.291 54.470 54.840 -0.131 0.000 0.915 422 L CB -0.386 41.609 42.059 -0.107 0.000 1.160 422 L HN 0.511 nan 8.230 nan 0.000 0.494 441 L N 1.051 121.793 121.223 -0.802 0.000 2.573 441 L HA 0.388 4.728 4.340 0.001 0.000 0.290 441 L C 0.923 177.596 176.870 -0.329 0.000 1.247 441 L CA 0.565 55.127 54.840 -0.462 0.000 0.876 441 L CB 0.317 42.122 42.059 -0.424 0.000 1.123 441 L HN 0.702 nan 8.230 nan 0.000 0.505 442 R N 3.822 124.226 120.500 -0.159 0.000 2.740 442 R HA 0.663 5.004 4.340 0.001 0.000 0.282 442 R C -1.792 174.493 176.300 -0.025 0.000 0.969 442 R CA -0.938 55.109 56.100 -0.088 0.000 0.918 442 R CB 1.284 31.544 30.300 -0.067 0.000 1.175 442 R HN 0.561 nan 8.270 nan 0.000 0.464 443 L N 2.494 123.715 121.223 -0.004 0.000 2.346 443 L HA 0.416 4.756 4.340 0.001 0.000 0.276 443 L C -0.828 176.071 176.870 0.049 0.000 1.006 443 L CA -0.033 54.827 54.840 0.033 0.000 0.817 443 L CB 1.927 44.001 42.059 0.026 0.000 1.272 443 L HN 0.689 nan 8.230 nan 0.000 0.421 444 E N 6.358 126.615 120.200 0.094 0.000 2.914 444 E HA 0.405 4.755 4.350 0.001 0.000 0.246 444 E C -1.293 175.369 176.600 0.103 0.000 1.146 444 E CA 0.005 56.469 56.400 0.106 0.000 0.803 444 E CB 1.246 31.034 29.700 0.147 0.000 1.409 444 E HN 0.389 nan 8.360 nan 0.000 0.392 445 I N 2.285 122.881 120.570 0.043 0.000 2.503 445 I HA 0.278 4.449 4.170 0.001 0.000 0.282 445 I C -2.480 173.631 176.117 -0.010 0.000 1.059 445 I CA -2.184 59.115 61.300 -0.001 0.000 1.081 445 I CB 1.603 39.585 38.000 -0.029 0.000 1.210 445 I HN 0.078 nan 8.210 nan 0.000 0.450 446 P HA 0.249 nan 4.420 nan 0.000 0.268 446 P C -1.096 176.181 177.300 -0.037 0.000 1.204 446 P CA -0.172 62.917 63.100 -0.017 0.000 0.768 446 P CB 0.579 32.270 31.700 -0.015 0.000 0.842 447 L N 3.228 124.434 121.223 -0.028 0.000 2.404 447 L HA 0.309 4.649 4.340 0.001 0.000 0.272 447 L C -0.434 176.421 176.870 -0.025 0.000 0.980 447 L CA -0.293 54.525 54.840 -0.036 0.000 0.836 447 L CB 1.708 43.753 42.059 -0.023 0.000 1.238 447 L HN 0.262 nan 8.230 nan 0.000 0.408 448 D N 2.413 122.793 120.400 -0.033 0.000 2.467 448 D HA 0.513 5.154 4.640 0.001 0.000 0.220 448 D C 1.126 177.419 176.300 -0.011 0.000 1.103 448 D CA 0.146 54.133 54.000 -0.020 0.000 0.886 448 D CB 1.522 42.307 40.800 -0.026 0.000 1.025 448 D HN 0.613 nan 8.370 nan 0.000 0.514 449 A N 3.815 126.637 122.820 0.003 0.000 1.915 449 A HA -0.325 3.995 4.320 0.001 0.000 0.220 449 A C 1.917 179.513 177.584 0.020 0.000 1.198 449 A CA 1.735 53.783 52.037 0.018 0.000 0.647 449 A CB -0.527 18.487 19.000 0.022 0.000 0.825 449 A HN 0.747 nan 8.150 nan 0.000 0.456 450 Q N -1.181 118.625 119.800 0.011 0.000 2.079 450 Q HA -0.204 4.136 4.340 0.001 0.000 0.200 450 Q C 2.202 178.208 176.000 0.009 0.000 0.974 450 Q CA 1.464 57.274 55.803 0.012 0.000 0.840 450 Q CB -0.238 28.503 28.738 0.006 0.000 0.898 450 Q HN 0.908 nan 8.270 nan 0.000 0.430 451 E N 1.318 121.516 120.200 -0.004 0.000 2.017 451 E HA -0.189 4.161 4.350 0.001 0.000 0.193 451 E C 2.128 178.724 176.600 -0.006 0.000 0.997 451 E CA 0.722 57.114 56.400 -0.014 0.000 0.804 451 E CB -0.099 29.580 29.700 -0.035 0.000 0.757 451 E HN 0.260 nan 8.360 nan 0.000 0.448 452 L N 0.736 121.950 121.223 -0.015 0.000 2.051 452 L HA -0.246 4.094 4.340 0.001 0.000 0.214 452 L C 2.864 179.800 176.870 0.111 0.000 1.076 452 L CA 1.470 56.312 54.840 0.004 0.000 0.758 452 L CB -0.581 41.475 42.059 -0.004 0.000 0.890 452 L HN 0.217 nan 8.230 nan 0.000 0.433 453 S N -0.159 115.593 115.700 0.087 0.000 2.382 453 S HA -0.144 4.326 4.470 0.001 0.000 0.228 453 S C 1.999 176.646 174.600 0.077 0.000 1.027 453 S CA 1.308 59.562 58.200 0.090 0.000 0.991 453 S CB -0.455 62.779 63.200 0.057 0.000 0.823 453 S HN 0.575 nan 8.310 nan 0.000 0.469 454 G N 0.644 109.476 108.800 0.054 0.000 2.462 454 G HA2 -0.089 3.871 3.960 0.001 0.000 0.220 454 G HA3 -0.089 3.871 3.960 0.001 0.000 0.220 454 G C 0.961 175.897 174.900 0.060 0.000 1.121 454 G CA 0.747 45.871 45.100 0.040 0.000 0.758 454 G HN 0.529 nan 8.290 nan 0.000 0.559 455 L N 0.311 121.597 121.223 0.104 0.000 2.685 455 L HA 0.432 4.772 4.340 0.001 0.000 0.233 455 L C 1.716 178.752 176.870 0.277 0.000 1.173 455 L CA 0.734 55.671 54.840 0.161 0.000 0.961 455 L CB 0.391 42.523 42.059 0.123 0.000 1.217 455 L HN 0.249 nan 8.230 nan 0.000 0.478 456 G N -1.028 107.875 108.800 0.171 0.000 2.132 456 G HA2 -0.284 3.676 3.960 0.001 0.000 0.234 456 G HA3 -0.284 3.676 3.960 0.001 0.000 0.234 456 G C -0.082 174.727 174.900 -0.153 0.000 0.989 456 G CA -0.478 44.627 45.100 0.008 0.000 0.676 456 G HN 0.145 nan 8.290 nan 0.000 0.522 457 F N 1.417 121.386 119.950 0.032 0.000 2.427 457 F HA 0.550 5.077 4.527 0.001 0.000 0.348 457 F C 0.212 176.052 175.800 0.067 0.000 1.125 457 F CA -1.357 56.683 58.000 0.067 0.000 0.989 457 F CB 1.419 40.407 39.000 -0.020 0.000 1.165 457 F HN -0.074 nan 8.300 nan 0.000 0.442 458 N N 2.793 121.613 118.700 0.200 0.000 2.335 458 N HA 0.283 5.024 4.740 0.001 0.000 0.304 458 N C -0.826 174.775 175.510 0.152 0.000 1.135 458 N CA -0.663 52.471 53.050 0.141 0.000 0.817 458 N CB 1.507 40.042 38.487 0.079 0.000 1.294 458 N HN 0.502 nan 8.380 nan 0.000 0.497 459 N N -0.176 118.591 118.700 0.112 0.000 2.641 459 N HA -0.142 4.598 4.740 0.001 0.000 0.267 459 N C -1.080 174.518 175.510 0.146 0.000 1.087 459 N CA 0.452 53.563 53.050 0.102 0.000 0.731 459 N CB -1.093 37.440 38.487 0.077 0.000 0.886 459 N HN 0.224 nan 8.380 nan 0.000 0.547 460 V N 0.638 120.637 119.914 0.141 0.000 2.370 460 V HA 0.625 4.745 4.120 0.001 0.000 0.279 460 V C 0.588 176.741 176.094 0.098 0.000 1.029 460 V CA -0.477 61.915 62.300 0.153 0.000 0.870 460 V CB 1.762 33.650 31.823 0.108 0.000 0.984 460 V HN 0.565 nan 8.190 nan 0.000 0.451 461 S N 5.434 121.198 115.700 0.107 0.000 2.540 461 S HA 0.787 5.257 4.470 0.001 0.000 0.275 461 S C -1.274 173.370 174.600 0.073 0.000 1.123 461 S CA -0.819 57.426 58.200 0.074 0.000 0.907 461 S CB 1.710 64.952 63.200 0.070 0.000 1.081 461 S HN 0.475 nan 8.310 nan 0.000 0.476 462 L N 3.082 124.335 121.223 0.050 0.000 2.319 462 L HA 0.667 5.007 4.340 0.001 0.000 0.281 462 L C -0.232 176.667 176.870 0.047 0.000 1.005 462 L CA -0.366 54.502 54.840 0.046 0.000 0.828 462 L CB 1.966 44.039 42.059 0.025 0.000 1.227 462 L HN 1.005 nan 8.230 nan 0.000 0.415 463 S N 2.376 118.110 115.700 0.057 0.000 2.542 463 S HA 0.754 5.224 4.470 0.001 0.000 0.293 463 S C -0.733 173.909 174.600 0.071 0.000 1.089 463 S CA -0.822 57.413 58.200 0.059 0.000 0.961 463 S CB 2.310 65.547 63.200 0.062 0.000 1.062 463 S HN 0.160 nan 8.310 nan 0.000 0.483 464 V N 2.255 122.214 119.914 0.076 0.000 2.357 464 V HA 0.595 4.715 4.120 0.001 0.000 0.284 464 V C -0.162 176.040 176.094 0.180 0.000 1.018 464 V CA -0.197 62.169 62.300 0.110 0.000 0.841 464 V CB 1.059 32.906 31.823 0.041 0.000 0.991 464 V HN 1.057 nan 8.190 nan 0.000 0.437 465 T N 7.615 122.302 114.554 0.221 0.000 2.876 465 T HA 0.502 4.852 4.350 0.001 0.000 0.289 465 T C -2.827 171.961 174.700 0.145 0.000 1.014 465 T CA -1.256 60.957 62.100 0.188 0.000 0.986 465 T CB 2.559 71.482 68.868 0.092 0.000 1.021 465 T HN 0.409 nan 8.240 nan 0.000 0.458 466 P HA 0.222 nan 4.420 nan 0.000 0.271 466 P C 0.190 177.358 177.300 -0.220 0.000 1.216 466 P CA -0.236 62.591 63.100 -0.454 0.000 0.776 466 P CB 0.758 32.196 31.700 -0.436 0.000 0.881 467 A N 3.317 125.999 122.820 -0.231 0.000 2.225 467 A HA -0.005 4.315 4.320 0.001 0.000 0.215 467 A C 1.920 179.450 177.584 -0.090 0.000 1.164 467 A CA 1.547 53.519 52.037 -0.109 0.000 0.710 467 A CB -1.063 17.886 19.000 -0.085 0.000 0.780 467 A HN 0.580 nan 8.150 nan 0.000 0.473 468 A N -0.330 122.419 122.820 -0.119 0.000 2.275 468 A HA 0.176 4.496 4.320 0.001 0.000 0.212 468 A C 0.727 178.279 177.584 -0.052 0.000 1.201 468 A CA -0.296 51.693 52.037 -0.079 0.000 0.843 468 A CB -0.214 18.732 19.000 -0.090 0.000 0.873 468 A HN 0.500 nan 8.150 nan 0.000 0.492 469 N N 0.000 118.672 118.700 -0.047 0.000 1.763 469 N HA 0.000 4.740 4.740 0.001 0.000 0.220 469 N CA 0.000 53.036 53.050 -0.023 0.000 0.885 469 N CB 0.000 38.480 38.487 -0.011 0.000 1.341 469 N HN 0.000 nan 8.380 nan 0.000 0.667