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 2wu0_1_D DATA FIRST_RESID 13 DATA SEQUENCE DWQLEKVVEL SRAGIRPPTA GNREAIEAAT GRPWTEWTTH DGELTGHGYA DATA SEQUENCE AVVNKGREEG QHYRQLGLLQ AGcPTAESIY VRASPLQRTR ATAQALVDGA DATA SEQUENCE FPGcGVAIHY ANGDADPLFQ TDKFAATQTD PARQLAAVKE KAGDLAQRRQ DATA SEQUENCE ALAPTIQLLK QAVcQADKPc PIFDTPWRVE QSKSGKTTIS GLSVMANMVE DATA SEQUENCE TLRLGWSENL PLSQLAWGKI AQASQITALL PLLTENYDLS NDVLYTAQKR DATA SEQUENCE GSVLLNAMLD GVKPEASPNV RWLLLVAHDT NIAMVRTLMN FSWQLPGYSR DATA SEQUENCE GNIPPGSSLV LERWRDAKSG ERYLRVYFQA QGLDDLRRLQ TPDAQHPMLR DATA SEQUENCE QEWRQPGcRQ TDVGTLcPFQ AAITALGQRI DRPSAPAVAM VLPK 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 13 D HA 0.000 nan 4.640 nan 0.000 0.175 13 D C 0.000 176.084 176.300 -0.359 0.000 2.045 13 D CA 0.000 53.854 54.000 -0.243 0.000 0.868 13 D CB 0.000 40.735 40.800 -0.109 0.000 0.688 14 W N 2.332 123.689 121.300 0.094 0.000 2.627 14 W HA 0.608 5.262 4.660 -0.011 0.000 0.339 14 W C -0.162 176.568 176.519 0.352 0.000 1.058 14 W CA -0.658 56.812 57.345 0.208 0.000 1.223 14 W CB 1.670 31.201 29.460 0.118 0.000 1.389 14 W HN 0.168 nan 8.180 nan 0.000 0.541 15 Q N 2.561 122.726 119.800 0.609 0.000 2.325 15 Q HA 0.419 4.715 4.340 -0.073 0.000 0.270 15 Q C -1.098 174.973 176.000 0.119 0.000 1.020 15 Q CA -1.236 54.753 55.803 0.310 0.000 0.785 15 Q CB 2.357 31.186 28.738 0.152 0.000 1.259 15 Q HN 0.340 nan 8.270 nan 0.000 0.452 16 L N 2.674 123.669 121.223 -0.381 0.000 2.361 16 L HA 0.106 4.402 4.340 -0.073 0.000 0.278 16 L C 0.536 177.142 176.870 -0.439 0.000 1.113 16 L CA 0.994 55.260 54.840 -0.956 0.000 0.849 16 L CB 0.436 41.767 42.059 -1.214 0.000 1.155 16 L HN 0.709 nan 8.230 nan 0.000 0.452 17 E N 2.786 122.777 120.200 -0.348 0.000 2.201 17 E HA 0.068 4.374 4.350 -0.073 0.000 0.193 17 E C -0.202 176.285 176.600 -0.188 0.000 0.957 17 E CA 0.217 56.502 56.400 -0.191 0.000 0.858 17 E CB 0.529 30.162 29.700 -0.112 0.000 0.816 17 E HN 0.371 nan 8.360 nan 0.000 0.475 18 K N 0.350 120.615 120.400 -0.226 0.000 2.569 18 K HA 0.256 4.532 4.320 -0.073 0.000 0.259 18 K C -1.983 174.506 176.600 -0.184 0.000 0.932 18 K CA -0.388 55.806 56.287 -0.155 0.000 0.833 18 K CB 1.955 34.416 32.500 -0.064 0.000 1.340 18 K HN -0.163 nan 8.250 nan 0.000 0.429 19 V N 4.043 123.843 119.914 -0.190 0.000 2.487 19 V HA 0.588 4.664 4.120 -0.073 0.000 0.298 19 V C -0.791 175.335 176.094 0.054 0.000 1.028 19 V CA -0.887 61.303 62.300 -0.183 0.000 0.860 19 V CB 1.772 33.235 31.823 -0.599 0.000 0.991 19 V HN 0.552 nan 8.190 nan 0.000 0.427 20 V N 4.405 124.362 119.914 0.072 0.000 2.417 20 V HA 0.582 4.658 4.120 -0.073 0.000 0.291 20 V C -0.239 175.933 176.094 0.130 0.000 1.024 20 V CA -0.477 61.902 62.300 0.131 0.000 0.861 20 V CB 1.743 33.619 31.823 0.087 0.000 0.985 20 V HN 0.966 nan 8.190 nan 0.000 0.436 21 E N 3.543 123.864 120.200 0.202 0.000 2.292 21 E HA 0.609 4.915 4.350 -0.073 0.000 0.272 21 E C -2.009 174.686 176.600 0.158 0.000 0.881 21 E CA -0.868 55.645 56.400 0.189 0.000 0.754 21 E CB 2.421 32.328 29.700 0.345 0.000 1.201 21 E HN 0.552 nan 8.360 nan 0.000 0.425 22 L N 3.510 124.806 121.223 0.123 0.000 2.342 22 L HA 0.467 4.763 4.340 -0.073 0.000 0.276 22 L C -1.047 175.874 176.870 0.084 0.000 0.997 22 L CA -0.114 54.793 54.840 0.112 0.000 0.838 22 L CB 1.482 43.621 42.059 0.133 0.000 1.224 22 L HN 0.399 nan 8.230 nan 0.000 0.416 23 S N 4.809 120.531 115.700 0.037 0.000 2.565 23 S HA 0.593 5.019 4.470 -0.073 0.000 0.290 23 S C -0.113 174.469 174.600 -0.030 0.000 1.150 23 S CA -0.739 57.468 58.200 0.010 0.000 1.058 23 S CB 0.991 64.188 63.200 -0.004 0.000 1.032 23 S HN 0.769 nan 8.310 nan 0.000 0.510 24 R N 1.976 122.477 120.500 0.001 0.000 2.582 24 R HA 0.538 4.834 4.340 -0.073 0.000 0.271 24 R C 0.336 176.610 176.300 -0.043 0.000 1.078 24 R CA -0.237 55.857 56.100 -0.010 0.000 1.127 24 R CB 0.435 30.768 30.300 0.055 0.000 1.038 24 R HN 0.807 nan 8.270 nan 0.000 0.500 25 A N 2.175 124.962 122.820 -0.054 0.000 2.583 25 A HA 0.189 4.465 4.320 -0.073 0.000 0.231 25 A C 0.630 178.219 177.584 0.008 0.000 1.065 25 A CA 0.585 52.605 52.037 -0.029 0.000 0.760 25 A CB -0.097 18.915 19.000 0.018 0.000 1.001 25 A HN 0.896 nan 8.150 nan 0.000 0.509 26 G N -0.126 108.677 108.800 0.005 0.000 2.516 26 G HA2 0.444 4.360 3.960 -0.073 0.000 0.276 26 G HA3 0.444 4.360 3.960 -0.073 0.000 0.276 26 G C 0.183 175.129 174.900 0.077 0.000 1.390 26 G CA -0.897 44.224 45.100 0.035 0.000 1.050 26 G HN 0.803 nan 8.290 nan 0.000 0.519 27 I N 0.398 121.042 120.570 0.125 0.000 2.752 27 I HA 0.169 4.296 4.170 -0.073 0.000 0.289 27 I C 0.806 176.999 176.117 0.127 0.000 1.197 27 I CA 0.454 61.857 61.300 0.172 0.000 1.432 27 I CB 0.370 38.536 38.000 0.277 0.000 1.359 27 I HN 0.561 nan 8.210 nan 0.000 0.571 28 R N 5.843 126.370 120.500 0.044 0.000 2.837 28 R HA 0.717 5.013 4.340 -0.073 0.000 0.271 28 R C -3.027 172.986 176.300 -0.479 0.000 0.993 28 R CA -2.015 54.018 56.100 -0.112 0.000 0.931 28 R CB 0.786 31.028 30.300 -0.097 0.000 1.206 28 R HN 0.138 nan 8.270 nan 0.000 0.474 29 P HA 0.154 nan 4.420 nan 0.000 0.275 29 P C -2.454 174.380 177.300 -0.778 0.000 1.270 29 P CA -1.275 60.790 63.100 -1.725 0.000 0.791 29 P CB -0.229 30.556 31.700 -1.524 0.000 1.089 30 P HA -0.019 nan 4.420 nan 0.000 0.267 30 P C -0.059 177.090 177.300 -0.250 0.000 1.200 30 P CA 0.397 63.320 63.100 -0.296 0.000 0.772 30 P CB -0.197 31.371 31.700 -0.221 0.000 0.855 31 T N -1.077 113.370 114.554 -0.178 0.000 2.802 31 T HA 0.238 4.544 4.350 -0.073 0.000 0.305 31 T C 1.645 176.269 174.700 -0.126 0.000 1.053 31 T CA 0.055 62.070 62.100 -0.142 0.000 1.058 31 T CB 0.162 68.957 68.868 -0.122 0.000 0.988 31 T HN 0.428 nan 8.240 nan 0.000 0.539 32 A N 1.439 124.200 122.820 -0.098 0.000 1.908 32 A HA 0.089 4.365 4.320 -0.073 0.000 0.218 32 A C 2.514 180.050 177.584 -0.081 0.000 1.181 32 A CA 1.927 53.919 52.037 -0.076 0.000 0.627 32 A CB -1.715 17.251 19.000 -0.057 0.000 0.818 32 A HN 1.103 nan 8.150 nan 0.000 0.445 33 G N -0.452 108.296 108.800 -0.086 0.000 2.402 33 G HA2 -0.256 3.660 3.960 -0.073 0.000 0.216 33 G HA3 -0.256 3.660 3.960 -0.073 0.000 0.216 33 G C 1.412 176.248 174.900 -0.107 0.000 1.162 33 G CA 1.012 46.059 45.100 -0.087 0.000 0.777 33 G HN 0.719 nan 8.290 nan 0.000 0.539 34 N N -0.025 118.600 118.700 -0.125 0.000 2.069 34 N HA -0.148 4.548 4.740 -0.073 0.000 0.191 34 N C 2.252 177.642 175.510 -0.200 0.000 1.031 34 N CA 1.032 53.987 53.050 -0.159 0.000 0.852 34 N CB -0.160 38.229 38.487 -0.163 0.000 1.018 34 N HN 0.254 nan 8.380 nan 0.000 0.423 35 R N 1.439 121.835 120.500 -0.174 0.000 2.070 35 R HA -0.202 4.094 4.340 -0.073 0.000 0.232 35 R C 2.179 178.397 176.300 -0.137 0.000 1.138 35 R CA 1.704 57.700 56.100 -0.173 0.000 0.936 35 R CB -0.170 30.075 30.300 -0.092 0.000 0.839 35 R HN 0.106 nan 8.270 nan 0.000 0.429 36 E N 0.602 120.748 120.200 -0.089 0.000 2.065 36 E HA -0.247 4.059 4.350 -0.073 0.000 0.201 36 E C 1.665 178.219 176.600 -0.077 0.000 1.016 36 E CA 2.334 58.698 56.400 -0.061 0.000 0.818 36 E CB -0.471 29.199 29.700 -0.050 0.000 0.749 36 E HN 0.462 nan 8.360 nan 0.000 0.453 37 A N 0.985 123.741 122.820 -0.106 0.000 1.877 37 A HA -0.110 4.166 4.320 -0.073 0.000 0.216 37 A C 2.489 179.999 177.584 -0.124 0.000 1.186 37 A CA 1.947 53.920 52.037 -0.106 0.000 0.620 37 A CB -1.011 17.919 19.000 -0.116 0.000 0.822 37 A HN 0.578 nan 8.150 nan 0.000 0.443 38 I N -2.787 117.649 120.570 -0.223 0.000 2.286 38 I HA -0.127 3.999 4.170 -0.073 0.000 0.245 38 I C 1.864 177.900 176.117 -0.135 0.000 1.104 38 I CA 1.922 63.040 61.300 -0.303 0.000 1.397 38 I CB -0.716 36.814 38.000 -0.783 0.000 1.072 38 I HN 0.284 nan 8.210 nan 0.000 0.417 39 E N 1.874 121.999 120.200 -0.124 0.000 2.204 39 E HA -0.110 4.196 4.350 -0.073 0.000 0.194 39 E C 2.392 179.062 176.600 0.116 0.000 0.989 39 E CA 1.175 57.644 56.400 0.115 0.000 0.824 39 E CB -0.099 29.672 29.700 0.118 0.000 0.756 39 E HN 0.697 nan 8.360 nan 0.000 0.477 40 A N 1.720 124.568 122.820 0.046 0.000 1.854 40 A HA -0.023 4.253 4.320 -0.073 0.000 0.214 40 A C 2.451 180.072 177.584 0.061 0.000 1.192 40 A CA 1.435 53.498 52.037 0.044 0.000 0.611 40 A CB -0.687 18.318 19.000 0.009 0.000 0.832 40 A HN 0.272 nan 8.150 nan 0.000 0.442 41 A N -0.401 122.447 122.820 0.048 0.000 1.948 41 A HA -0.127 4.149 4.320 -0.073 0.000 0.220 41 A C 2.231 179.903 177.584 0.148 0.000 1.177 41 A CA 2.590 54.663 52.037 0.060 0.000 0.636 41 A CB -1.113 17.892 19.000 0.008 0.000 0.815 41 A HN 0.843 nan 8.150 nan 0.000 0.449 42 T N -4.873 109.815 114.554 0.223 0.000 3.069 42 T HA 0.422 4.728 4.350 -0.073 0.000 0.252 42 T C 1.258 176.061 174.700 0.173 0.000 1.053 42 T CA 0.978 63.243 62.100 0.274 0.000 0.964 42 T CB 0.059 69.199 68.868 0.453 0.000 1.005 42 T HN 1.691 nan 8.240 nan 0.000 0.532 43 G N 2.874 111.762 108.800 0.148 0.000 2.283 43 G HA2 -0.293 3.624 3.960 -0.073 0.000 0.280 43 G HA3 -0.293 3.624 3.960 -0.073 0.000 0.280 43 G C -0.020 174.932 174.900 0.087 0.000 1.029 43 G CA 0.438 45.597 45.100 0.098 0.000 0.840 43 G HN 1.056 nan 8.290 nan 0.000 0.505 44 R N -1.463 119.127 120.500 0.150 0.000 2.629 44 R HA 0.643 4.939 4.340 -0.073 0.000 0.266 44 R C -3.251 173.239 176.300 0.317 0.000 1.051 44 R CA -1.949 54.237 56.100 0.143 0.000 0.895 44 R CB 1.611 31.898 30.300 -0.022 0.000 1.246 44 R HN 0.035 nan 8.270 nan 0.000 0.459 45 P HA 0.109 nan 4.420 nan 0.000 0.272 45 P C -1.088 176.597 177.300 0.642 0.000 1.223 45 P CA -0.140 63.200 63.100 0.400 0.000 0.784 45 P CB 0.437 32.300 31.700 0.272 0.000 0.923 46 W N -0.197 121.287 121.300 0.307 0.000 2.578 46 W HA 0.314 4.930 4.660 -0.074 0.000 0.364 46 W C 0.303 176.927 176.519 0.175 0.000 1.144 46 W CA -0.417 57.109 57.345 0.303 0.000 1.242 46 W CB 0.010 29.623 29.460 0.255 0.000 1.382 46 W HN 0.114 nan 8.180 nan 0.000 0.625 47 T N 3.149 117.871 114.554 0.281 0.000 2.871 47 T HA 0.012 4.318 4.350 -0.073 0.000 0.296 47 T C -0.108 174.809 174.700 0.362 0.000 0.998 47 T CA -0.041 62.165 62.100 0.176 0.000 1.162 47 T CB 0.084 68.926 68.868 -0.043 0.000 0.947 47 T HN 0.051 nan 8.240 nan 0.000 0.536 48 E N 2.988 123.349 120.200 0.269 0.000 2.223 48 E HA 0.104 4.410 4.350 -0.073 0.000 0.282 48 E C -0.212 176.585 176.600 0.328 0.000 1.046 48 E CA -0.259 56.314 56.400 0.289 0.000 0.857 48 E CB 0.616 30.413 29.700 0.161 0.000 1.055 48 E HN 0.521 nan 8.360 nan 0.000 0.409 49 W N 1.142 122.436 121.300 -0.010 0.000 1.966 49 W HA 0.051 4.667 4.660 -0.074 0.000 0.367 49 W C 1.969 178.449 176.519 -0.065 0.000 1.451 49 W CA -0.495 56.830 57.345 -0.034 0.000 1.538 49 W CB -0.538 28.908 29.460 -0.022 0.000 1.251 49 W HN 0.425 nan 8.180 nan 0.000 0.671 50 T N -3.042 111.615 114.554 0.171 0.000 3.035 50 T HA -0.016 4.290 4.350 -0.073 0.000 0.268 50 T C 0.614 175.300 174.700 -0.023 0.000 1.109 50 T CA 0.741 62.864 62.100 0.039 0.000 1.119 50 T CB -0.581 68.299 68.868 0.020 0.000 0.900 50 T HN 0.217 nan 8.240 nan 0.000 0.503 51 T N 2.376 116.967 114.554 0.063 0.000 2.875 51 T HA 0.285 4.591 4.350 -0.073 0.000 0.284 51 T C -0.210 174.438 174.700 -0.085 0.000 0.995 51 T CA -0.664 61.427 62.100 -0.014 0.000 1.060 51 T CB 0.671 69.590 68.868 0.085 0.000 0.967 51 T HN 0.330 nan 8.240 nan 0.000 0.476 52 H N 2.104 121.179 119.070 0.008 0.000 2.815 52 H HA 0.031 4.543 4.556 -0.073 0.000 0.350 52 H C 0.094 175.368 175.328 -0.090 0.000 1.080 52 H CA -0.139 55.894 56.048 -0.026 0.000 1.433 52 H CB 0.472 30.221 29.762 -0.021 0.000 1.432 52 H HN 0.572 nan 8.280 nan 0.000 0.592 53 D N 1.364 121.764 120.400 0.001 0.000 2.658 53 D HA -0.020 4.576 4.640 -0.073 0.000 0.230 53 D C 1.518 177.762 176.300 -0.094 0.000 1.118 53 D CA 1.710 55.640 54.000 -0.117 0.000 0.848 53 D CB 0.270 41.018 40.800 -0.088 0.000 1.160 53 D HN 0.882 nan 8.370 nan 0.000 0.497 54 G N 2.281 110.989 108.800 -0.153 0.000 2.184 54 G HA2 -0.296 3.620 3.960 -0.073 0.000 0.264 54 G HA3 -0.296 3.620 3.960 -0.073 0.000 0.264 54 G C 0.281 175.145 174.900 -0.060 0.000 0.975 54 G CA 0.272 45.308 45.100 -0.107 0.000 0.642 54 G HN 0.559 nan 8.290 nan 0.000 0.536 55 E N -0.700 119.476 120.200 -0.039 0.000 2.250 55 E HA 0.582 4.888 4.350 -0.073 0.000 0.265 55 E C -0.157 176.449 176.600 0.011 0.000 1.033 55 E CA -1.124 55.278 56.400 0.004 0.000 0.888 55 E CB 1.720 31.452 29.700 0.052 0.000 1.151 55 E HN 0.169 nan 8.360 nan 0.000 0.412 56 L N 2.258 123.507 121.223 0.044 0.000 2.418 56 L HA 0.060 4.356 4.340 -0.073 0.000 0.274 56 L C 0.345 177.282 176.870 0.112 0.000 1.135 56 L CA 0.258 55.146 54.840 0.080 0.000 0.870 56 L CB 0.301 42.424 42.059 0.106 0.000 1.154 56 L HN 0.570 nan 8.230 nan 0.000 0.462 57 T N 1.535 116.173 114.554 0.141 0.000 2.855 57 T HA 0.235 4.541 4.350 -0.073 0.000 0.314 57 T C 1.392 176.204 174.700 0.185 0.000 1.077 57 T CA -0.123 62.089 62.100 0.186 0.000 1.095 57 T CB 0.976 70.022 68.868 0.297 0.000 0.987 57 T HN 0.744 nan 8.240 nan 0.000 0.546 58 G N 0.014 108.903 108.800 0.149 0.000 2.422 58 G HA2 -0.258 3.658 3.960 -0.073 0.000 0.218 58 G HA3 -0.258 3.658 3.960 -0.073 0.000 0.218 58 G C 1.320 176.317 174.900 0.162 0.000 1.146 58 G CA 1.148 46.318 45.100 0.116 0.000 0.769 58 G HN 1.035 nan 8.290 nan 0.000 0.547 59 H N 0.516 119.641 119.070 0.092 0.000 2.321 59 H HA -0.004 4.508 4.556 -0.073 0.000 0.300 59 H C 2.726 178.115 175.328 0.101 0.000 1.087 59 H CA 2.110 58.203 56.048 0.076 0.000 1.319 59 H CB -0.471 29.323 29.762 0.053 0.000 1.379 59 H HN 0.240 nan 8.280 nan 0.000 0.501 60 G N -0.798 108.154 108.800 0.253 0.000 2.446 60 G HA2 -0.364 3.552 3.960 -0.073 0.000 0.217 60 G HA3 -0.364 3.552 3.960 -0.073 0.000 0.217 60 G C 1.599 176.562 174.900 0.104 0.000 1.168 60 G CA 0.983 46.190 45.100 0.179 0.000 0.771 60 G HN 0.535 nan 8.290 nan 0.000 0.551 61 Y N 1.943 122.254 120.300 0.018 0.000 2.128 61 Y HA -0.098 4.408 4.550 -0.073 0.000 0.284 61 Y C 3.017 178.894 175.900 -0.039 0.000 1.154 61 Y CA 1.676 59.772 58.100 -0.008 0.000 1.149 61 Y CB -0.405 38.054 38.460 -0.002 0.000 0.976 61 Y HN 0.260 nan 8.280 nan 0.000 0.505 62 A N 0.116 123.027 122.820 0.153 0.000 1.908 62 A HA -0.163 4.113 4.320 -0.073 0.000 0.218 62 A C 2.417 179.954 177.584 -0.078 0.000 1.181 62 A CA 2.019 54.074 52.037 0.030 0.000 0.627 62 A CB -1.513 17.449 19.000 -0.063 0.000 0.818 62 A HN 0.585 nan 8.150 nan 0.000 0.445 63 A N -0.678 122.066 122.820 -0.126 0.000 1.902 63 A HA -0.002 4.274 4.320 -0.073 0.000 0.217 63 A C 2.215 179.748 177.584 -0.085 0.000 1.181 63 A CA 1.811 53.782 52.037 -0.109 0.000 0.623 63 A CB -0.865 18.092 19.000 -0.072 0.000 0.818 63 A HN 0.406 nan 8.150 nan 0.000 0.443 64 V N -0.507 119.343 119.914 -0.107 0.000 2.427 64 V HA -0.191 3.885 4.120 -0.073 0.000 0.248 64 V C 2.548 178.546 176.094 -0.158 0.000 1.051 64 V CA 1.743 63.959 62.300 -0.140 0.000 1.048 64 V CB -0.581 31.121 31.823 -0.202 0.000 0.666 64 V HN 0.367 nan 8.190 nan 0.000 0.456 65 V N 0.764 120.569 119.914 -0.182 0.000 2.343 65 V HA -0.256 3.820 4.120 -0.073 0.000 0.247 65 V C 2.386 178.437 176.094 -0.071 0.000 1.051 65 V CA 2.131 64.357 62.300 -0.124 0.000 1.036 65 V CB -0.850 30.945 31.823 -0.046 0.000 0.654 65 V HN 0.577 nan 8.190 nan 0.000 0.451 66 N N 0.375 119.036 118.700 -0.066 0.000 2.061 66 N HA -0.224 4.472 4.740 -0.073 0.000 0.193 66 N C 1.870 177.348 175.510 -0.053 0.000 1.030 66 N CA 1.802 54.819 53.050 -0.055 0.000 0.856 66 N CB -0.438 38.012 38.487 -0.061 0.000 1.023 66 N HN 0.503 nan 8.380 nan 0.000 0.424 67 K N 0.692 121.059 120.400 -0.056 0.000 2.025 67 K HA -0.079 4.197 4.320 -0.073 0.000 0.207 67 K C 2.056 178.639 176.600 -0.029 0.000 1.049 67 K CA 1.498 57.756 56.287 -0.048 0.000 0.933 67 K CB -0.568 31.905 32.500 -0.044 0.000 0.714 67 K HN 0.171 nan 8.250 nan 0.000 0.438 68 G N 1.613 110.400 108.800 -0.022 0.000 2.469 68 G HA2 -0.319 3.597 3.960 -0.073 0.000 0.219 68 G HA3 -0.319 3.597 3.960 -0.073 0.000 0.219 68 G C 1.659 176.548 174.900 -0.017 0.000 1.150 68 G CA 1.016 46.123 45.100 0.012 0.000 0.763 68 G HN 0.378 nan 8.290 nan 0.000 0.561 69 R N 0.323 120.799 120.500 -0.041 0.000 2.073 69 R HA -0.114 4.182 4.340 -0.073 0.000 0.234 69 R C 2.508 178.777 176.300 -0.052 0.000 1.134 69 R CA 1.865 57.937 56.100 -0.047 0.000 0.952 69 R CB -0.289 29.989 30.300 -0.035 0.000 0.850 69 R HN 0.400 nan 8.270 nan 0.000 0.433 70 E N 0.780 120.946 120.200 -0.056 0.000 2.077 70 E HA -0.222 4.085 4.350 -0.073 0.000 0.193 70 E C 1.707 178.249 176.600 -0.096 0.000 0.989 70 E CA 1.853 58.209 56.400 -0.073 0.000 0.800 70 E CB -0.133 29.512 29.700 -0.091 0.000 0.746 70 E HN 0.423 nan 8.360 nan 0.000 0.452 71 E N -0.867 119.274 120.200 -0.099 0.000 2.110 71 E HA -0.125 4.181 4.350 -0.073 0.000 0.193 71 E C 1.973 178.477 176.600 -0.159 0.000 0.988 71 E CA 0.995 57.293 56.400 -0.170 0.000 0.804 71 E CB -0.441 29.244 29.700 -0.025 0.000 0.745 71 E HN 0.438 nan 8.360 nan 0.000 0.458 72 G N 0.512 109.272 108.800 -0.068 0.000 2.418 72 G HA2 -0.305 3.611 3.960 -0.073 0.000 0.217 72 G HA3 -0.305 3.611 3.960 -0.073 0.000 0.217 72 G C 1.415 176.280 174.900 -0.059 0.000 1.158 72 G CA 0.760 45.797 45.100 -0.103 0.000 0.771 72 G HN 0.263 nan 8.290 nan 0.000 0.545 73 Q N -0.899 118.873 119.800 -0.048 0.000 2.119 73 Q HA -0.094 4.202 4.340 -0.073 0.000 0.201 73 Q C 2.279 178.271 176.000 -0.014 0.000 0.972 73 Q CA 1.326 57.118 55.803 -0.018 0.000 0.847 73 Q CB -0.196 28.535 28.738 -0.013 0.000 0.903 73 Q HN 0.700 nan 8.270 nan 0.000 0.433 74 H N -0.479 118.484 119.070 -0.178 0.000 2.293 74 H HA -0.168 4.343 4.556 -0.074 0.000 0.300 74 H C 1.150 176.365 175.328 -0.187 0.000 1.082 74 H CA 1.766 57.666 56.048 -0.248 0.000 1.308 74 H CB -0.109 29.379 29.762 -0.457 0.000 1.375 74 H HN 0.232 nan 8.280 nan 0.000 0.495 75 Y N 0.143 120.296 120.300 -0.245 0.000 2.516 75 Y HA 0.105 4.610 4.550 -0.076 0.000 0.291 75 Y C 2.568 178.366 175.900 -0.170 0.000 1.131 75 Y CA 0.554 58.462 58.100 -0.320 0.000 1.281 75 Y CB -0.078 38.147 38.460 -0.392 0.000 1.013 75 Y HN 0.169 nan 8.280 nan 0.000 0.554 76 R N -0.419 120.108 120.500 0.044 0.000 2.093 76 R HA -0.121 4.175 4.340 -0.073 0.000 0.224 76 R C 2.266 178.576 176.300 0.016 0.000 1.101 76 R CA 0.866 56.997 56.100 0.051 0.000 0.979 76 R CB -0.167 30.173 30.300 0.067 0.000 0.877 76 R HN 0.304 nan 8.270 nan 0.000 0.441 77 Q N 0.973 120.765 119.800 -0.013 0.000 2.119 77 Q HA -0.114 4.182 4.340 -0.073 0.000 0.201 77 Q C 1.768 177.757 176.000 -0.018 0.000 0.972 77 Q CA 1.224 57.021 55.803 -0.009 0.000 0.847 77 Q CB 0.121 28.856 28.738 -0.004 0.000 0.903 77 Q HN 0.366 nan 8.270 nan 0.000 0.433 78 L N -0.618 120.563 121.223 -0.070 0.000 2.610 78 L HA 0.040 4.336 4.340 -0.073 0.000 0.232 78 L C 1.260 178.118 176.870 -0.020 0.000 1.149 78 L CA 0.647 55.462 54.840 -0.042 0.000 0.872 78 L CB -0.078 41.913 42.059 -0.112 0.000 0.992 78 L HN 0.533 nan 8.230 nan 0.000 0.447 79 G N -0.185 108.609 108.800 -0.011 0.000 2.179 79 G HA2 -0.337 3.579 3.960 -0.073 0.000 0.260 79 G HA3 -0.337 3.579 3.960 -0.073 0.000 0.260 79 G C 0.712 175.598 174.900 -0.023 0.000 0.977 79 G CA 0.538 45.636 45.100 -0.003 0.000 0.641 79 G HN 0.282 nan 8.290 nan 0.000 0.533 80 L N -0.016 121.176 121.223 -0.052 0.000 2.023 80 L HA 0.455 4.751 4.340 -0.073 0.000 0.205 80 L C 1.471 178.338 176.870 -0.005 0.000 1.073 80 L CA 1.631 56.419 54.840 -0.088 0.000 0.745 80 L CB -0.151 41.779 42.059 -0.215 0.000 0.900 80 L HN 0.360 nan 8.230 nan 0.000 0.435 81 L N 0.237 121.497 121.223 0.061 0.000 2.343 81 L HA 0.340 4.636 4.340 -0.073 0.000 0.275 81 L C 0.082 177.024 176.870 0.120 0.000 1.056 81 L CA -0.889 54.042 54.840 0.152 0.000 0.804 81 L CB 1.010 43.249 42.059 0.301 0.000 1.203 81 L HN 0.121 nan 8.230 nan 0.000 0.440 82 Q N 1.088 120.959 119.800 0.119 0.000 2.237 82 Q HA 0.499 4.795 4.340 -0.073 0.000 0.219 82 Q C -0.065 176.003 176.000 0.113 0.000 0.999 82 Q CA -0.620 55.236 55.803 0.089 0.000 0.959 82 Q CB 1.102 29.878 28.738 0.064 0.000 1.173 82 Q HN 0.715 nan 8.270 nan 0.000 0.527 83 A N -0.190 122.681 122.820 0.086 0.000 2.448 83 A HA 0.468 4.744 4.320 -0.073 0.000 0.239 83 A C 0.898 178.545 177.584 0.104 0.000 1.080 83 A CA 0.906 52.997 52.037 0.090 0.000 0.779 83 A CB -0.675 18.362 19.000 0.063 0.000 1.026 83 A HN 0.872 nan 8.150 nan 0.000 0.499 84 G N -0.597 108.274 108.800 0.119 0.000 2.512 84 G HA2 -0.171 3.745 3.960 -0.073 0.000 0.254 84 G HA3 -0.171 3.745 3.960 -0.073 0.000 0.254 84 G C 0.310 175.303 174.900 0.155 0.000 1.199 84 G CA -0.113 45.056 45.100 0.115 0.000 0.941 84 G HN 1.550 nan 8.290 nan 0.000 0.569 85 c N 3.738 122.390 118.600 0.087 0.000 2.466 85 c HA 0.664 5.190 4.570 -0.073 0.000 0.379 85 c C -0.915 173.136 174.090 -0.064 0.000 1.251 85 c CA -0.277 56.069 56.329 0.027 0.000 2.263 85 c CB 0.732 43.239 42.510 -0.005 0.000 2.511 85 c HN 0.757 nan 8.230 nan 0.000 0.573 86 P HA 0.279 nan 4.420 nan 0.000 0.274 86 P C -0.200 176.990 177.300 -0.184 0.000 1.237 86 P CA 0.195 63.097 63.100 -0.331 0.000 0.793 86 P CB 0.646 31.847 31.700 -0.832 0.000 0.977 87 T N -2.770 111.721 114.554 -0.105 0.000 2.889 87 T HA 0.536 4.842 4.350 -0.073 0.000 0.278 87 T C 1.428 176.100 174.700 -0.046 0.000 0.995 87 T CA -0.074 61.989 62.100 -0.061 0.000 0.966 87 T CB 0.399 69.250 68.868 -0.027 0.000 1.237 87 T HN 0.295 nan 8.240 nan 0.000 0.591 88 A N 0.174 122.987 122.820 -0.013 0.000 1.940 88 A HA -0.082 4.194 4.320 -0.073 0.000 0.219 88 A C 2.223 179.818 177.584 0.018 0.000 1.176 88 A CA 1.444 53.492 52.037 0.018 0.000 0.631 88 A CB -1.016 17.993 19.000 0.014 0.000 0.814 88 A HN 0.874 nan 8.150 nan 0.000 0.446 89 E N 0.230 120.432 120.200 0.003 0.000 2.204 89 E HA -0.092 4.214 4.350 -0.073 0.000 0.194 89 E C 2.166 178.783 176.600 0.027 0.000 0.989 89 E CA 1.269 57.674 56.400 0.008 0.000 0.824 89 E CB -0.177 29.523 29.700 0.001 0.000 0.756 89 E HN 0.667 nan 8.360 nan 0.000 0.477 90 S N 0.393 116.107 115.700 0.023 0.000 2.371 90 S HA 0.095 4.521 4.470 -0.073 0.000 0.221 90 S C 1.208 175.879 174.600 0.118 0.000 1.036 90 S CA 0.305 58.542 58.200 0.061 0.000 0.965 90 S CB 0.629 63.837 63.200 0.013 0.000 0.845 90 S HN 0.163 nan 8.310 nan 0.000 0.475 91 I N -0.264 120.333 120.570 0.045 0.000 2.827 91 I HA 0.478 4.604 4.170 -0.073 0.000 0.298 91 I C -2.234 173.916 176.117 0.056 0.000 1.235 91 I CA -1.105 60.217 61.300 0.037 0.000 1.021 91 I CB 2.276 40.231 38.000 -0.074 0.000 1.259 91 I HN 0.177 nan 8.210 nan 0.000 0.427 92 Y N 6.552 126.807 120.300 -0.075 0.000 2.346 92 Y HA 0.657 5.162 4.550 -0.074 0.000 0.332 92 Y C -1.596 174.274 175.900 -0.050 0.000 0.985 92 Y CA -0.580 57.496 58.100 -0.040 0.000 1.112 92 Y CB 1.683 40.115 38.460 -0.047 0.000 1.170 92 Y HN 0.225 nan 8.280 nan 0.000 0.447 93 V N 7.212 126.829 119.914 -0.496 0.000 2.417 93 V HA 0.556 4.632 4.120 -0.073 0.000 0.291 93 V C -0.654 175.249 176.094 -0.317 0.000 1.024 93 V CA -0.816 61.290 62.300 -0.324 0.000 0.861 93 V CB 1.533 33.194 31.823 -0.271 0.000 0.985 93 V HN 0.705 nan 8.190 nan 0.000 0.436 94 R N 3.823 124.277 120.500 -0.076 0.000 2.435 94 R HA 0.773 5.069 4.340 -0.073 0.000 0.308 94 R C -0.695 175.711 176.300 0.177 0.000 0.975 94 R CA -0.201 55.962 56.100 0.104 0.000 0.867 94 R CB 1.444 31.900 30.300 0.261 0.000 1.171 94 R HN 0.833 nan 8.270 nan 0.000 0.470 95 A N 3.101 126.013 122.820 0.154 0.000 2.337 95 A HA 0.440 4.716 4.320 -0.073 0.000 0.329 95 A C -0.318 177.324 177.584 0.097 0.000 1.146 95 A CA -0.602 51.446 52.037 0.018 0.000 0.800 95 A CB 1.671 20.637 19.000 -0.057 0.000 1.220 95 A HN 0.752 nan 8.150 nan 0.000 0.472 96 S N 2.382 117.939 115.700 -0.238 0.000 2.599 96 S HA 0.080 4.506 4.470 -0.073 0.000 0.303 96 S C -1.029 173.597 174.600 0.044 0.000 1.267 96 S CA -0.136 58.022 58.200 -0.071 0.000 1.055 96 S CB 0.397 63.347 63.200 -0.417 0.000 0.790 96 S HN 0.546 nan 8.310 nan 0.000 0.500 97 P HA 0.035 nan 4.420 nan 0.000 0.242 97 P C 0.147 177.430 177.300 -0.028 0.000 1.197 97 P CA 0.096 63.251 63.100 0.092 0.000 0.765 97 P CB -0.015 31.826 31.700 0.235 0.000 0.936 98 L N 0.779 122.019 121.223 0.028 0.000 2.483 98 L HA 0.002 4.298 4.340 -0.073 0.000 0.275 98 L C 2.346 179.180 176.870 -0.060 0.000 1.220 98 L CA 0.715 55.564 54.840 0.014 0.000 0.833 98 L CB -0.286 41.837 42.059 0.107 0.000 1.102 98 L HN -0.090 nan 8.230 nan 0.000 0.490 99 Q N 2.444 122.210 119.800 -0.057 0.000 2.096 99 Q HA -0.203 4.093 4.340 -0.073 0.000 0.204 99 Q C 1.986 177.956 176.000 -0.050 0.000 0.982 99 Q CA 2.160 57.918 55.803 -0.074 0.000 0.850 99 Q CB 0.040 28.751 28.738 -0.045 0.000 0.901 99 Q HN 0.747 nan 8.270 nan 0.000 0.422 100 R N -0.402 120.089 120.500 -0.014 0.000 2.115 100 R HA -0.036 4.260 4.340 -0.073 0.000 0.226 100 R C 2.150 178.433 176.300 -0.027 0.000 1.100 100 R CA 1.701 57.802 56.100 0.003 0.000 0.980 100 R CB -0.841 29.473 30.300 0.023 0.000 0.875 100 R HN 0.215 nan 8.270 nan 0.000 0.445 101 T N -0.857 113.660 114.554 -0.060 0.000 2.896 101 T HA 0.057 4.363 4.350 -0.073 0.000 0.263 101 T C 1.977 176.591 174.700 -0.144 0.000 1.050 101 T CA 0.500 62.511 62.100 -0.149 0.000 1.140 101 T CB -0.160 68.546 68.868 -0.270 0.000 0.877 101 T HN 0.218 nan 8.240 nan 0.000 0.457 102 R N 1.460 121.870 120.500 -0.150 0.000 2.070 102 R HA 0.096 4.392 4.340 -0.073 0.000 0.233 102 R C 3.035 179.282 176.300 -0.090 0.000 1.137 102 R CA 1.395 57.395 56.100 -0.166 0.000 0.945 102 R CB -0.863 29.254 30.300 -0.306 0.000 0.845 102 R HN 0.501 nan 8.270 nan 0.000 0.430 103 A N 0.587 123.381 122.820 -0.044 0.000 1.908 103 A HA -0.185 4.091 4.320 -0.073 0.000 0.218 103 A C 2.224 179.824 177.584 0.028 0.000 1.181 103 A CA 2.128 54.204 52.037 0.065 0.000 0.627 103 A CB -0.845 18.217 19.000 0.104 0.000 0.818 103 A HN 0.323 nan 8.150 nan 0.000 0.445 104 T N 0.184 114.705 114.554 -0.054 0.000 2.701 104 T HA 0.013 4.319 4.350 -0.073 0.000 0.263 104 T C 2.293 176.894 174.700 -0.164 0.000 1.040 104 T CA 1.635 63.656 62.100 -0.132 0.000 1.147 104 T CB -0.581 68.226 68.868 -0.101 0.000 0.865 104 T HN 0.632 nan 8.240 nan 0.000 0.426 105 A N 1.623 124.365 122.820 -0.129 0.000 1.903 105 A HA -0.274 4.002 4.320 -0.073 0.000 0.219 105 A C 2.285 179.798 177.584 -0.120 0.000 1.191 105 A CA 2.028 53.989 52.037 -0.127 0.000 0.638 105 A CB -0.849 18.083 19.000 -0.115 0.000 0.823 105 A HN 0.588 nan 8.150 nan 0.000 0.451 106 Q N -0.968 118.784 119.800 -0.080 0.000 2.084 106 Q HA -0.108 4.188 4.340 -0.073 0.000 0.202 106 Q C 2.479 178.427 176.000 -0.087 0.000 0.978 106 Q CA 1.285 57.076 55.803 -0.021 0.000 0.844 106 Q CB -0.423 28.370 28.738 0.092 0.000 0.898 106 Q HN 0.709 nan 8.270 nan 0.000 0.426 107 A N 1.076 123.679 122.820 -0.362 0.000 1.917 107 A HA -0.205 4.071 4.320 -0.073 0.000 0.219 107 A C 2.075 179.447 177.584 -0.353 0.000 1.182 107 A CA 1.298 52.839 52.037 -0.828 0.000 0.633 107 A CB -0.761 17.537 19.000 -1.171 0.000 0.819 107 A HN 0.302 nan 8.150 nan 0.000 0.448 108 L N -0.185 120.905 121.223 -0.222 0.000 2.027 108 L HA -0.152 4.144 4.340 -0.073 0.000 0.206 108 L C 2.627 179.458 176.870 -0.066 0.000 1.074 108 L CA 1.605 56.374 54.840 -0.118 0.000 0.745 108 L CB -0.481 41.524 42.059 -0.089 0.000 0.898 108 L HN 0.474 nan 8.230 nan 0.000 0.433 109 V N -4.463 115.428 119.914 -0.037 0.000 3.041 109 V HA -0.134 3.942 4.120 -0.073 0.000 0.260 109 V C 1.984 178.163 176.094 0.141 0.000 1.105 109 V CA 1.435 63.806 62.300 0.119 0.000 1.125 109 V CB -0.439 31.465 31.823 0.135 0.000 0.730 109 V HN 0.314 nan 8.190 nan 0.000 0.479 110 D N 1.979 122.412 120.400 0.056 0.000 2.084 110 D HA -0.049 4.547 4.640 -0.073 0.000 0.194 110 D C 2.196 178.527 176.300 0.052 0.000 0.990 110 D CA 2.073 56.122 54.000 0.083 0.000 0.826 110 D CB -0.548 40.323 40.800 0.118 0.000 0.971 110 D HN 0.470 nan 8.370 nan 0.000 0.453 111 G N 0.330 109.125 108.800 -0.008 0.000 2.414 111 G HA2 -0.153 3.763 3.960 -0.073 0.000 0.215 111 G HA3 -0.153 3.763 3.960 -0.073 0.000 0.215 111 G C 1.730 176.591 174.900 -0.064 0.000 1.188 111 G CA 1.409 46.493 45.100 -0.027 0.000 0.783 111 G HN 0.416 nan 8.290 nan 0.000 0.537 112 A N -0.109 122.632 122.820 -0.132 0.000 1.940 112 A HA 0.226 4.502 4.320 -0.073 0.000 0.219 112 A C 0.757 177.944 177.584 -0.662 0.000 1.176 112 A CA 0.799 52.596 52.037 -0.399 0.000 0.631 112 A CB -0.260 18.446 19.000 -0.490 0.000 0.814 112 A HN 0.331 nan 8.150 nan 0.000 0.446 113 F N -0.542 119.460 119.950 0.087 0.000 2.584 113 F HA 0.340 4.822 4.527 -0.074 0.000 0.328 113 F C -2.769 173.061 175.800 0.049 0.000 1.407 113 F CA -3.118 54.924 58.000 0.070 0.000 1.145 113 F CB 0.692 39.726 39.000 0.057 0.000 1.440 113 F HN -0.093 nan 8.300 nan 0.000 0.580 114 P HA 0.128 nan 4.420 nan 0.000 0.261 114 P C 1.033 178.396 177.300 0.106 0.000 1.183 114 P CA 1.099 64.261 63.100 0.103 0.000 0.761 114 P CB 0.700 32.440 31.700 0.067 0.000 0.785 115 G N 2.212 111.066 108.800 0.089 0.000 2.168 115 G HA2 -0.342 3.574 3.960 -0.073 0.000 0.263 115 G HA3 -0.342 3.574 3.960 -0.073 0.000 0.263 115 G C 0.863 175.804 174.900 0.068 0.000 0.977 115 G CA 0.205 45.347 45.100 0.069 0.000 0.659 115 G HN 0.574 nan 8.290 nan 0.000 0.533 116 c N 0.637 119.291 118.600 0.090 0.000 2.697 116 c HA 0.526 5.052 4.570 -0.073 0.000 0.267 116 c C 2.251 176.357 174.090 0.027 0.000 1.278 116 c CA 0.488 56.854 56.329 0.061 0.000 1.708 116 c CB -0.960 41.596 42.510 0.077 0.000 1.860 116 c HN 1.996 nan 8.230 nan 0.000 0.589 117 G N 1.746 110.567 108.800 0.035 0.000 2.356 117 G HA2 -0.216 3.700 3.960 -0.073 0.000 0.296 117 G HA3 -0.216 3.700 3.960 -0.073 0.000 0.296 117 G C 0.014 174.906 174.900 -0.014 0.000 1.022 117 G CA 0.352 45.460 45.100 0.013 0.000 0.961 117 G HN 0.431 nan 8.290 nan 0.000 0.510 118 V N 0.358 120.264 119.914 -0.014 0.000 2.521 118 V HA 0.522 4.598 4.120 -0.073 0.000 0.286 118 V C 1.080 177.124 176.094 -0.083 0.000 1.034 118 V CA 0.141 62.400 62.300 -0.069 0.000 1.045 118 V CB 1.048 32.825 31.823 -0.078 0.000 0.974 118 V HN 1.063 nan 8.190 nan 0.000 0.480 119 A N 6.221 128.961 122.820 -0.132 0.000 2.316 119 A HA 0.811 5.087 4.320 -0.073 0.000 0.284 119 A C -0.367 177.014 177.584 -0.338 0.000 1.115 119 A CA -0.497 51.417 52.037 -0.206 0.000 0.812 119 A CB 0.514 19.376 19.000 -0.229 0.000 1.064 119 A HN 0.949 nan 8.150 nan 0.000 0.489 120 I N -1.066 119.301 120.570 -0.337 0.000 2.863 120 I HA 0.653 4.779 4.170 -0.073 0.000 0.311 120 I C -0.307 175.514 176.117 -0.493 0.000 1.026 120 I CA -0.491 60.585 61.300 -0.374 0.000 1.077 120 I CB 1.538 39.441 38.000 -0.162 0.000 1.262 120 I HN 0.603 nan 8.210 nan 0.000 0.461 121 H N 2.207 121.217 119.070 -0.100 0.000 2.679 121 H HA 0.616 5.128 4.556 -0.074 0.000 0.367 121 H C -1.493 173.915 175.328 0.132 0.000 1.162 121 H CA -0.306 55.709 56.048 -0.056 0.000 1.181 121 H CB 1.970 31.623 29.762 -0.182 0.000 1.693 121 H HN 0.800 nan 8.280 nan 0.000 0.538 122 Y N -1.706 118.669 120.300 0.125 0.000 2.641 122 Y HA 0.594 5.100 4.550 -0.074 0.000 0.333 122 Y C -0.981 174.991 175.900 0.120 0.000 1.174 122 Y CA -1.491 56.681 58.100 0.119 0.000 1.057 122 Y CB 0.404 38.909 38.460 0.074 0.000 1.322 122 Y HN 0.720 nan 8.280 nan 0.000 0.457 123 A N 2.223 125.182 122.820 0.232 0.000 2.520 123 A HA 0.161 4.437 4.320 -0.073 0.000 0.245 123 A C 0.521 178.177 177.584 0.119 0.000 1.072 123 A CA -0.107 52.013 52.037 0.138 0.000 0.761 123 A CB -0.100 19.012 19.000 0.187 0.000 1.004 123 A HN 0.829 nan 8.150 nan 0.000 0.499 124 N N 1.946 120.656 118.700 0.018 0.000 2.520 124 N HA -0.062 4.634 4.740 -0.073 0.000 0.185 124 N C 1.093 176.656 175.510 0.089 0.000 1.068 124 N CA 1.121 54.182 53.050 0.019 0.000 0.911 124 N CB 0.041 38.517 38.487 -0.018 0.000 0.961 124 N HN 0.764 nan 8.380 nan 0.000 0.446 125 G N 0.147 109.011 108.800 0.106 0.000 2.574 125 G HA2 0.118 4.034 3.960 -0.073 0.000 0.248 125 G HA3 0.118 4.034 3.960 -0.073 0.000 0.248 125 G C 0.147 175.125 174.900 0.130 0.000 1.422 125 G CA -0.212 44.948 45.100 0.101 0.000 1.051 125 G HN 0.007 nan 8.290 nan 0.000 0.560 126 D N -0.118 120.344 120.400 0.103 0.000 2.369 126 D HA 0.314 4.911 4.640 -0.073 0.000 0.211 126 D C 0.730 177.112 176.300 0.137 0.000 1.077 126 D CA 0.274 54.337 54.000 0.105 0.000 0.842 126 D CB 0.847 41.681 40.800 0.058 0.000 0.947 126 D HN 0.388 nan 8.370 nan 0.000 0.509 127 A N 0.971 123.891 122.820 0.166 0.000 2.311 127 A HA 0.350 4.626 4.320 -0.073 0.000 0.306 127 A C -0.988 176.805 177.584 0.347 0.000 1.189 127 A CA -0.666 51.519 52.037 0.247 0.000 0.791 127 A CB 1.502 20.582 19.000 0.135 0.000 1.172 127 A HN -0.167 nan 8.150 nan 0.000 0.481 128 D N 4.366 124.964 120.400 0.330 0.000 2.256 128 D HA 0.355 4.951 4.640 -0.073 0.000 0.240 128 D C -1.795 174.513 176.300 0.013 0.000 1.062 128 D CA -1.810 52.305 54.000 0.192 0.000 0.832 128 D CB 2.108 43.065 40.800 0.261 0.000 1.135 128 D HN 0.227 nan 8.370 nan 0.000 0.484 129 P HA -0.037 nan 4.420 nan 0.000 0.230 129 P C 1.564 178.584 177.300 -0.467 0.000 1.158 129 P CA 0.420 63.044 63.100 -0.793 0.000 0.769 129 P CB 0.530 31.540 31.700 -1.149 0.000 0.807 130 L N -2.758 118.147 121.223 -0.530 0.000 2.240 130 L HA -0.008 4.288 4.340 -0.073 0.000 0.211 130 L C 1.962 178.565 176.870 -0.444 0.000 1.106 130 L CA 1.185 55.632 54.840 -0.654 0.000 0.793 130 L CB -0.453 40.882 42.059 -1.208 0.000 0.927 130 L HN -0.084 nan 8.230 nan 0.000 0.446 131 F N -1.414 118.556 119.950 0.033 0.000 2.532 131 F HA 0.150 4.632 4.527 -0.074 0.000 0.276 131 F C 1.103 176.981 175.800 0.130 0.000 0.911 131 F CA -0.515 57.536 58.000 0.085 0.000 1.196 131 F CB -0.376 38.678 39.000 0.090 0.000 1.087 131 F HN -0.203 nan 8.300 nan 0.000 0.775 132 Q N 1.390 121.402 119.800 0.353 0.000 3.181 132 Q HA 0.159 4.455 4.340 -0.073 0.000 0.293 132 Q C 1.253 177.433 176.000 0.300 0.000 1.406 132 Q CA 0.158 56.132 55.803 0.284 0.000 1.026 132 Q CB -0.168 28.735 28.738 0.276 0.000 1.630 132 Q HN 0.439 nan 8.270 nan 0.000 0.553 133 T N -3.380 111.302 114.554 0.214 0.000 3.023 133 T HA -0.138 4.168 4.350 -0.073 0.000 0.266 133 T C 1.152 175.968 174.700 0.193 0.000 1.093 133 T CA 0.939 63.154 62.100 0.192 0.000 1.129 133 T CB 0.045 68.961 68.868 0.079 0.000 0.899 133 T HN 0.454 nan 8.240 nan 0.000 0.491 134 D N 1.265 121.741 120.400 0.127 0.000 2.348 134 D HA -0.080 4.516 4.640 -0.073 0.000 0.216 134 D C 1.411 177.736 176.300 0.043 0.000 0.970 134 D CA 0.452 54.493 54.000 0.068 0.000 0.889 134 D CB -0.192 40.626 40.800 0.030 0.000 0.912 134 D HN 0.268 nan 8.370 nan 0.000 0.524 135 K N -0.038 120.393 120.400 0.053 0.000 2.437 135 K HA 0.164 4.440 4.320 -0.073 0.000 0.198 135 K C -0.416 175.887 176.600 -0.496 0.000 1.024 135 K CA -0.137 56.032 56.287 -0.196 0.000 1.148 135 K CB -0.021 32.313 32.500 -0.276 0.000 0.860 135 K HN 0.195 nan 8.250 nan 0.000 0.515 136 F N -0.695 119.253 119.950 -0.002 0.000 2.547 136 F HA 0.323 4.806 4.527 -0.073 0.000 0.316 136 F C 1.248 177.042 175.800 -0.009 0.000 1.121 136 F CA -0.948 57.047 58.000 -0.007 0.000 0.911 136 F CB 1.500 40.492 39.000 -0.013 0.000 1.179 136 F HN -0.173 nan 8.300 nan 0.000 0.443 137 A N 2.416 125.319 122.820 0.138 0.000 1.892 137 A HA -0.151 4.125 4.320 -0.073 0.000 0.218 137 A C 2.242 179.871 177.584 0.075 0.000 1.188 137 A CA 2.410 54.493 52.037 0.077 0.000 0.631 137 A CB -1.112 17.921 19.000 0.055 0.000 0.822 137 A HN 0.916 nan 8.150 nan 0.000 0.447 138 A N -0.967 121.904 122.820 0.084 0.000 2.019 138 A HA 0.009 4.285 4.320 -0.073 0.000 0.219 138 A C 1.946 179.547 177.584 0.027 0.000 1.164 138 A CA 2.141 54.205 52.037 0.044 0.000 0.644 138 A CB -0.822 18.193 19.000 0.025 0.000 0.805 138 A HN 0.911 nan 8.150 nan 0.000 0.449 139 T N -3.090 111.493 114.554 0.049 0.000 3.228 139 T HA 0.379 4.685 4.350 -0.073 0.000 0.278 139 T C 0.115 174.828 174.700 0.022 0.000 1.014 139 T CA -0.375 61.736 62.100 0.018 0.000 0.904 139 T CB -0.001 68.876 68.868 0.016 0.000 1.110 139 T HN 0.390 nan 8.240 nan 0.000 0.541 140 Q N 2.839 122.658 119.800 0.032 0.000 2.257 140 Q HA 0.435 4.731 4.340 -0.073 0.000 0.255 140 Q C 0.158 176.166 176.000 0.014 0.000 0.920 140 Q CA -0.583 55.235 55.803 0.025 0.000 0.927 140 Q CB 1.462 30.221 28.738 0.036 0.000 1.229 140 Q HN 0.565 nan 8.270 nan 0.000 0.433 141 T N -0.767 113.790 114.554 0.005 0.000 2.926 141 T HA 0.048 4.354 4.350 -0.073 0.000 0.307 141 T C -0.066 174.727 174.700 0.155 0.000 1.059 141 T CA -0.848 61.290 62.100 0.064 0.000 1.122 141 T CB 0.843 69.756 68.868 0.075 0.000 0.972 141 T HN 0.473 nan 8.240 nan 0.000 0.545 142 D N 3.033 123.600 120.400 0.279 0.000 2.317 142 D HA 0.299 4.895 4.640 -0.073 0.000 0.252 142 D C -1.500 174.866 176.300 0.109 0.000 1.174 142 D CA -2.249 51.844 54.000 0.156 0.000 0.866 142 D CB 1.255 42.127 40.800 0.121 0.000 1.127 142 D HN 0.179 nan 8.370 nan 0.000 0.467 143 P HA -0.212 nan 4.420 nan 0.000 0.215 143 P C 0.918 178.218 177.300 0.000 0.000 1.163 143 P CA 2.043 65.161 63.100 0.030 0.000 0.894 143 P CB 0.093 31.801 31.700 0.014 0.000 0.791 144 A N -0.529 122.279 122.820 -0.020 0.000 1.902 144 A HA -0.214 4.062 4.320 -0.073 0.000 0.217 144 A C 2.275 179.799 177.584 -0.101 0.000 1.181 144 A CA 1.468 53.477 52.037 -0.048 0.000 0.623 144 A CB -0.890 18.084 19.000 -0.044 0.000 0.818 144 A HN 0.011 nan 8.150 nan 0.000 0.443 145 R N -0.723 119.678 120.500 -0.164 0.000 2.066 145 R HA -0.149 4.147 4.340 -0.073 0.000 0.232 145 R C 2.409 178.462 176.300 -0.411 0.000 1.131 145 R CA 1.733 57.595 56.100 -0.396 0.000 0.955 145 R CB -0.829 29.060 30.300 -0.686 0.000 0.851 145 R HN 0.757 nan 8.270 nan 0.000 0.432 146 Q N 1.098 120.813 119.800 -0.142 0.000 2.077 146 Q HA -0.175 4.121 4.340 -0.073 0.000 0.206 146 Q C 2.018 178.024 176.000 0.010 0.000 0.989 146 Q CA 1.546 57.409 55.803 0.100 0.000 0.853 146 Q CB -0.396 28.459 28.738 0.196 0.000 0.907 146 Q HN 0.204 nan 8.270 nan 0.000 0.418 147 L N 0.029 121.239 121.223 -0.022 0.000 2.046 147 L HA -0.043 4.253 4.340 -0.073 0.000 0.208 147 L C 2.170 179.017 176.870 -0.039 0.000 1.077 147 L CA 2.215 57.040 54.840 -0.024 0.000 0.747 147 L CB -1.023 41.021 42.059 -0.025 0.000 0.896 147 L HN 0.321 nan 8.230 nan 0.000 0.432 148 A N -0.650 122.127 122.820 -0.072 0.000 1.898 148 A HA -0.082 4.194 4.320 -0.073 0.000 0.216 148 A C 2.453 180.002 177.584 -0.059 0.000 1.181 148 A CA 1.714 53.709 52.037 -0.070 0.000 0.620 148 A CB -1.178 17.763 19.000 -0.097 0.000 0.819 148 A HN 0.546 nan 8.150 nan 0.000 0.442 149 A N -0.526 122.247 122.820 -0.078 0.000 1.883 149 A HA -0.042 4.234 4.320 -0.073 0.000 0.217 149 A C 2.262 179.852 177.584 0.009 0.000 1.186 149 A CA 1.980 54.001 52.037 -0.026 0.000 0.624 149 A CB -0.983 18.030 19.000 0.022 0.000 0.822 149 A HN 0.389 nan 8.150 nan 0.000 0.444 150 V N -0.020 119.901 119.914 0.011 0.000 2.270 150 V HA -0.260 3.816 4.120 -0.073 0.000 0.245 150 V C 2.462 178.560 176.094 0.006 0.000 1.043 150 V CA 2.295 64.601 62.300 0.010 0.000 1.014 150 V CB -0.717 31.107 31.823 0.002 0.000 0.645 150 V HN 0.531 nan 8.190 nan 0.000 0.447 151 K N -0.170 120.230 120.400 -0.000 0.000 2.034 151 K HA -0.311 3.965 4.320 -0.073 0.000 0.214 151 K C 2.249 178.854 176.600 0.008 0.000 1.051 151 K CA 2.289 58.579 56.287 0.004 0.000 0.931 151 K CB -0.263 32.235 32.500 -0.003 0.000 0.715 151 K HN 0.578 nan 8.250 nan 0.000 0.446 152 E N 1.012 121.212 120.200 0.001 0.000 2.058 152 E HA -0.246 4.060 4.350 -0.073 0.000 0.194 152 E C 2.033 178.641 176.600 0.012 0.000 0.997 152 E CA 1.539 57.940 56.400 0.003 0.000 0.801 152 E CB 0.086 29.782 29.700 -0.006 0.000 0.746 152 E HN 0.146 nan 8.360 nan 0.000 0.450 153 K N -0.340 120.069 120.400 0.016 0.000 2.167 153 K HA -0.038 4.238 4.320 -0.073 0.000 0.203 153 K C 2.004 178.621 176.600 0.029 0.000 1.052 153 K CA 0.838 57.138 56.287 0.021 0.000 0.956 153 K CB -0.078 32.435 32.500 0.022 0.000 0.735 153 K HN 0.168 nan 8.250 nan 0.000 0.451 154 A N 0.970 123.808 122.820 0.030 0.000 1.902 154 A HA 0.043 4.319 4.320 -0.073 0.000 0.217 154 A C 1.479 179.095 177.584 0.052 0.000 1.181 154 A CA 1.857 53.923 52.037 0.048 0.000 0.623 154 A CB -1.237 17.791 19.000 0.047 0.000 0.818 154 A HN 0.608 nan 8.150 nan 0.000 0.443 155 G N -0.538 108.284 108.800 0.038 0.000 2.583 155 G HA2 -0.331 3.585 3.960 -0.073 0.000 0.292 155 G HA3 -0.331 3.585 3.960 -0.073 0.000 0.292 155 G C -0.068 174.856 174.900 0.041 0.000 1.203 155 G CA 0.458 45.578 45.100 0.033 0.000 0.987 155 G HN 0.772 nan 8.290 nan 0.000 0.554 156 D N 1.355 121.778 120.400 0.037 0.000 2.359 156 D HA 0.402 4.998 4.640 -0.073 0.000 0.250 156 D C 1.733 178.065 176.300 0.053 0.000 1.264 156 D CA -0.053 53.968 54.000 0.035 0.000 0.911 156 D CB 0.278 41.089 40.800 0.018 0.000 1.056 156 D HN 0.371 nan 8.370 nan 0.000 0.499 157 L N 3.179 124.450 121.223 0.080 0.000 2.240 157 L HA -0.022 4.274 4.340 -0.073 0.000 0.211 157 L C 2.385 179.286 176.870 0.052 0.000 1.106 157 L CA 0.719 55.647 54.840 0.147 0.000 0.793 157 L CB -0.156 42.039 42.059 0.227 0.000 0.927 157 L HN 0.458 nan 8.230 nan 0.000 0.446 158 A N -0.270 122.546 122.820 -0.006 0.000 1.883 158 A HA -0.307 3.969 4.320 -0.073 0.000 0.217 158 A C 2.256 179.768 177.584 -0.119 0.000 1.186 158 A CA 2.029 54.013 52.037 -0.088 0.000 0.624 158 A CB -0.535 18.435 19.000 -0.050 0.000 0.822 158 A HN 0.484 nan 8.150 nan 0.000 0.444 159 Q N -0.862 118.903 119.800 -0.059 0.000 2.172 159 Q HA -0.122 4.174 4.340 -0.073 0.000 0.200 159 Q C 2.287 178.251 176.000 -0.059 0.000 0.964 159 Q CA 1.155 56.926 55.803 -0.053 0.000 0.855 159 Q CB -0.048 28.679 28.738 -0.018 0.000 0.918 159 Q HN 0.668 nan 8.270 nan 0.000 0.444 160 R N -0.185 120.297 120.500 -0.029 0.000 2.075 160 R HA -0.077 4.219 4.340 -0.073 0.000 0.232 160 R C 2.472 178.674 176.300 -0.164 0.000 1.126 160 R CA 1.305 57.414 56.100 0.015 0.000 0.963 160 R CB -0.193 30.215 30.300 0.181 0.000 0.858 160 R HN 0.165 nan 8.270 nan 0.000 0.435 161 R N 0.538 120.737 120.500 -0.502 0.000 2.096 161 R HA -0.196 4.100 4.340 -0.073 0.000 0.235 161 R C 2.184 178.162 176.300 -0.535 0.000 1.127 161 R CA 1.695 57.125 56.100 -1.117 0.000 0.968 161 R CB 0.011 29.491 30.300 -1.367 0.000 0.861 161 R HN 0.073 nan 8.270 nan 0.000 0.440 162 Q N 0.407 120.023 119.800 -0.307 0.000 2.046 162 Q HA -0.053 4.243 4.340 -0.073 0.000 0.200 162 Q C 1.854 177.787 176.000 -0.112 0.000 0.975 162 Q CA 2.237 57.935 55.803 -0.175 0.000 0.836 162 Q CB -0.406 28.261 28.738 -0.119 0.000 0.896 162 Q HN 0.388 nan 8.270 nan 0.000 0.428 163 A N 0.039 122.809 122.820 -0.083 0.000 1.948 163 A HA -0.151 4.125 4.320 -0.073 0.000 0.220 163 A C 1.870 179.446 177.584 -0.013 0.000 1.177 163 A CA 1.555 53.573 52.037 -0.031 0.000 0.636 163 A CB -0.682 18.315 19.000 -0.004 0.000 0.815 163 A HN 0.450 nan 8.150 nan 0.000 0.449 164 L N -0.905 120.301 121.223 -0.028 0.000 2.611 164 L HA 0.132 4.428 4.340 -0.073 0.000 0.229 164 L C 2.552 179.435 176.870 0.022 0.000 1.137 164 L CA 0.227 55.089 54.840 0.037 0.000 0.901 164 L CB -0.212 41.934 42.059 0.144 0.000 1.098 164 L HN 0.421 nan 8.230 nan 0.000 0.456 165 A N 1.425 124.226 122.820 -0.033 0.000 1.884 165 A HA -0.174 4.102 4.320 -0.073 0.000 0.219 165 A C -0.133 177.467 177.584 0.026 0.000 1.197 165 A CA 1.884 53.910 52.037 -0.019 0.000 0.637 165 A CB -1.692 17.284 19.000 -0.040 0.000 0.827 165 A HN 0.284 nan 8.150 nan 0.000 0.450 166 P HA -0.099 nan 4.420 nan 0.000 0.215 166 P C 1.466 178.798 177.300 0.053 0.000 1.153 166 P CA 1.894 65.012 63.100 0.030 0.000 0.853 166 P CB -0.311 31.402 31.700 0.021 0.000 0.788 167 T N -0.568 114.031 114.554 0.076 0.000 2.821 167 T HA -0.059 4.247 4.350 -0.073 0.000 0.267 167 T C 1.762 176.556 174.700 0.157 0.000 1.046 167 T CA 0.993 63.157 62.100 0.107 0.000 1.139 167 T CB -0.862 68.079 68.868 0.121 0.000 0.871 167 T HN 0.066 nan 8.240 nan 0.000 0.454 168 I N 1.054 121.737 120.570 0.189 0.000 2.286 168 I HA -0.188 3.938 4.170 -0.073 0.000 0.248 168 I C 2.766 179.018 176.117 0.226 0.000 1.115 168 I CA 1.068 62.545 61.300 0.295 0.000 1.392 168 I CB -0.340 37.845 38.000 0.309 0.000 1.065 168 I HN 0.153 nan 8.210 nan 0.000 0.418 169 Q N 1.434 121.297 119.800 0.105 0.000 2.020 169 Q HA -0.163 4.133 4.340 -0.073 0.000 0.202 169 Q C 2.162 178.157 176.000 -0.008 0.000 0.982 169 Q CA 1.878 57.690 55.803 0.014 0.000 0.838 169 Q CB -0.559 28.182 28.738 0.006 0.000 0.899 169 Q HN 0.458 nan 8.270 nan 0.000 0.423 170 L N -0.125 121.116 121.223 0.031 0.000 2.043 170 L HA -0.229 4.067 4.340 -0.073 0.000 0.212 170 L C 2.314 179.214 176.870 0.050 0.000 1.075 170 L CA 1.060 55.919 54.840 0.030 0.000 0.752 170 L CB -0.689 41.395 42.059 0.043 0.000 0.891 170 L HN 0.313 nan 8.230 nan 0.000 0.432 171 L N 0.124 121.418 121.223 0.118 0.000 2.017 171 L HA -0.230 4.066 4.340 -0.073 0.000 0.208 171 L C 2.552 179.459 176.870 0.061 0.000 1.073 171 L CA 1.839 56.800 54.840 0.201 0.000 0.745 171 L CB -0.669 41.630 42.059 0.399 0.000 0.894 171 L HN 0.155 nan 8.230 nan 0.000 0.432 172 K N -0.933 119.318 120.400 -0.247 0.000 2.032 172 K HA -0.243 4.033 4.320 -0.073 0.000 0.209 172 K C 2.089 178.467 176.600 -0.369 0.000 1.048 172 K CA 1.919 57.706 56.287 -0.832 0.000 0.927 172 K CB -0.141 31.760 32.500 -0.998 0.000 0.712 172 K HN 0.494 nan 8.250 nan 0.000 0.441 173 Q N -0.232 119.452 119.800 -0.193 0.000 2.096 173 Q HA -0.181 4.115 4.340 -0.073 0.000 0.204 173 Q C 2.101 178.068 176.000 -0.055 0.000 0.982 173 Q CA 1.825 57.564 55.803 -0.107 0.000 0.850 173 Q CB -0.208 28.494 28.738 -0.060 0.000 0.901 173 Q HN 0.443 nan 8.270 nan 0.000 0.422 174 A N 0.270 123.088 122.820 -0.003 0.000 1.898 174 A HA -0.128 4.148 4.320 -0.073 0.000 0.216 174 A C 2.157 179.805 177.584 0.106 0.000 1.181 174 A CA 1.859 53.937 52.037 0.069 0.000 0.620 174 A CB -0.401 18.664 19.000 0.108 0.000 0.819 174 A HN 0.345 nan 8.150 nan 0.000 0.442 175 V N -4.755 115.206 119.914 0.079 0.000 3.570 175 V HA 0.220 4.296 4.120 -0.073 0.000 0.257 175 V C 0.746 176.777 176.094 -0.104 0.000 1.272 175 V CA -0.217 62.143 62.300 0.099 0.000 1.079 175 V CB -0.912 31.143 31.823 0.387 0.000 0.829 175 V HN 0.370 nan 8.190 nan 0.000 0.454 176 c N 3.687 122.209 118.600 -0.130 0.000 2.369 176 c HA 0.562 5.088 4.570 -0.073 0.000 0.358 176 c C 0.537 174.497 174.090 -0.217 0.000 1.274 176 c CA -0.749 55.489 56.329 -0.153 0.000 1.935 176 c CB 0.389 42.800 42.510 -0.167 0.000 2.431 176 c HN 0.743 nan 8.230 nan 0.000 0.545 177 Q N 2.648 122.303 119.800 -0.241 0.000 2.327 177 Q HA 0.551 4.847 4.340 -0.073 0.000 0.254 177 Q C -0.038 175.877 176.000 -0.141 0.000 0.952 177 Q CA -0.360 55.304 55.803 -0.232 0.000 0.884 177 Q CB 0.722 29.300 28.738 -0.266 0.000 1.224 177 Q HN 0.792 nan 8.270 nan 0.000 0.422 178 A N 2.691 125.440 122.820 -0.119 0.000 2.565 178 A HA 0.005 4.282 4.320 -0.073 0.000 0.237 178 A C 0.116 177.661 177.584 -0.065 0.000 1.053 178 A CA 0.742 52.729 52.037 -0.083 0.000 0.755 178 A CB -0.459 18.500 19.000 -0.068 0.000 0.980 178 A HN 1.043 nan 8.150 nan 0.000 0.506 179 D N -0.774 119.596 120.400 -0.050 0.000 2.719 179 D HA -0.173 4.423 4.640 -0.073 0.000 0.170 179 D C 0.180 176.463 176.300 -0.029 0.000 1.631 179 D CA 2.481 56.459 54.000 -0.035 0.000 1.883 179 D CB -1.030 39.751 40.800 -0.032 0.000 1.378 179 D HN 0.786 nan 8.370 nan 0.000 0.448 180 K N 1.743 122.121 120.400 -0.038 0.000 2.322 180 K HA 0.325 4.601 4.320 -0.073 0.000 0.283 180 K C -2.259 174.335 176.600 -0.011 0.000 1.042 180 K CA -1.259 55.013 56.287 -0.025 0.000 0.958 180 K CB 0.810 33.288 32.500 -0.036 0.000 0.984 180 K HN 0.152 nan 8.250 nan 0.000 0.473 181 P HA 0.011 nan 4.420 nan 0.000 0.272 181 P C -0.537 176.798 177.300 0.059 0.000 1.240 181 P CA -0.408 62.711 63.100 0.031 0.000 0.791 181 P CB 0.680 32.400 31.700 0.033 0.000 0.978 182 c N 2.983 121.644 118.600 0.103 0.000 3.392 182 c HA 0.217 4.743 4.570 -0.073 0.000 0.217 182 c C -1.160 173.078 174.090 0.248 0.000 1.222 182 c CA -1.219 55.224 56.329 0.190 0.000 1.200 182 c CB -0.369 42.263 42.510 0.204 0.000 1.818 182 c HN 0.490 nan 8.230 nan 0.000 0.586 183 P HA -0.154 nan 4.420 nan 0.000 0.216 183 P C 1.542 178.906 177.300 0.107 0.000 1.150 183 P CA 1.303 64.472 63.100 0.115 0.000 0.843 183 P CB 0.280 32.023 31.700 0.071 0.000 0.787 184 I N -0.885 119.717 120.570 0.053 0.000 2.248 184 I HA -0.242 3.884 4.170 -0.073 0.000 0.248 184 I C 1.906 177.933 176.117 -0.150 0.000 1.107 184 I CA 1.580 62.814 61.300 -0.110 0.000 1.373 184 I CB -0.702 37.124 38.000 -0.290 0.000 1.055 184 I HN -0.237 nan 8.210 nan 0.000 0.418 185 F N -0.161 119.859 119.950 0.118 0.000 2.748 185 F HA -0.001 4.482 4.527 -0.073 0.000 0.299 185 F C 1.519 177.373 175.800 0.089 0.000 1.154 185 F CA 0.453 58.526 58.000 0.123 0.000 1.446 185 F CB -0.265 38.793 39.000 0.096 0.000 1.112 185 F HN 0.085 nan 8.300 nan 0.000 0.584 186 D N -0.830 119.692 120.400 0.204 0.000 2.469 186 D HA 0.048 4.644 4.640 -0.073 0.000 0.215 186 D C 0.697 177.053 176.300 0.093 0.000 1.154 186 D CA 0.379 54.455 54.000 0.126 0.000 0.832 186 D CB 0.160 41.024 40.800 0.107 0.000 1.008 186 D HN 0.106 nan 8.370 nan 0.000 0.506 187 T N -0.169 114.449 114.554 0.107 0.000 2.837 187 T HA 0.513 4.819 4.350 -0.073 0.000 0.285 187 T C -2.529 172.265 174.700 0.156 0.000 0.984 187 T CA -1.671 60.492 62.100 0.104 0.000 1.049 187 T CB 2.478 71.398 68.868 0.086 0.000 0.947 187 T HN -0.225 nan 8.240 nan 0.000 0.472 188 P HA 0.246 nan 4.420 nan 0.000 0.274 188 P C -0.971 176.524 177.300 0.325 0.000 1.256 188 P CA -0.591 62.589 63.100 0.132 0.000 0.795 188 P CB 0.528 32.268 31.700 0.067 0.000 1.038 189 W N 1.531 122.827 121.300 -0.006 0.000 2.335 189 W HA 0.424 5.039 4.660 -0.074 0.000 0.307 189 W C 0.710 177.223 176.519 -0.010 0.000 1.117 189 W CA -0.093 57.246 57.345 -0.011 0.000 1.228 189 W CB 0.191 29.647 29.460 -0.007 0.000 1.240 189 W HN 0.240 nan 8.180 nan 0.000 0.468 190 R N 1.565 122.160 120.500 0.157 0.000 2.771 190 R HA 0.578 4.874 4.340 -0.073 0.000 0.274 190 R C -1.140 175.175 176.300 0.024 0.000 0.987 190 R CA -1.302 54.846 56.100 0.081 0.000 0.908 190 R CB 2.282 32.616 30.300 0.056 0.000 1.213 190 R HN 0.027 nan 8.270 nan 0.000 0.468 191 V N 2.310 122.234 119.914 0.017 0.000 2.508 191 V HA 0.130 4.206 4.120 -0.073 0.000 0.281 191 V C 0.269 176.354 176.094 -0.014 0.000 1.041 191 V CA 0.295 62.590 62.300 -0.010 0.000 1.016 191 V CB 0.826 32.647 31.823 -0.004 0.000 0.984 191 V HN 0.680 nan 8.190 nan 0.000 0.478 192 E N 3.386 123.568 120.200 -0.030 0.000 2.299 192 E HA 0.622 4.928 4.350 -0.073 0.000 0.265 192 E C -0.948 175.634 176.600 -0.030 0.000 0.911 192 E CA -0.814 55.569 56.400 -0.028 0.000 0.789 192 E CB 2.687 32.366 29.700 -0.036 0.000 1.246 192 E HN 0.658 nan 8.360 nan 0.000 0.427 193 Q N 1.539 121.325 119.800 -0.025 0.000 2.263 193 Q HA 0.245 4.541 4.340 -0.073 0.000 0.266 193 Q C -1.123 174.864 176.000 -0.022 0.000 1.002 193 Q CA -0.471 55.318 55.803 -0.023 0.000 0.790 193 Q CB 1.675 30.403 28.738 -0.016 0.000 1.272 193 Q HN 0.663 nan 8.270 nan 0.000 0.435 194 S N 2.257 117.942 115.700 -0.026 0.000 2.600 194 S HA 0.112 4.538 4.470 -0.073 0.000 0.265 194 S C 0.929 175.518 174.600 -0.019 0.000 1.325 194 S CA -0.240 57.945 58.200 -0.024 0.000 1.002 194 S CB 1.281 64.463 63.200 -0.030 0.000 0.921 194 S HN 0.803 nan 8.310 nan 0.000 0.554 195 K N 1.167 121.557 120.400 -0.018 0.000 2.211 195 K HA -0.107 4.169 4.320 -0.073 0.000 0.204 195 K C 1.788 178.380 176.600 -0.014 0.000 1.047 195 K CA 1.685 57.964 56.287 -0.015 0.000 0.935 195 K CB -0.658 31.833 32.500 -0.014 0.000 0.728 195 K HN 0.752 nan 8.250 nan 0.000 0.452 196 S N -1.214 114.476 115.700 -0.017 0.000 2.754 196 S HA 0.191 4.617 4.470 -0.073 0.000 0.223 196 S C 1.308 175.902 174.600 -0.011 0.000 0.951 196 S CA 0.126 58.317 58.200 -0.016 0.000 0.954 196 S CB -0.218 62.970 63.200 -0.021 0.000 0.780 196 S HN 0.526 nan 8.310 nan 0.000 0.509 197 G N 1.292 110.087 108.800 -0.009 0.000 2.184 197 G HA2 -0.345 3.571 3.960 -0.073 0.000 0.264 197 G HA3 -0.345 3.571 3.960 -0.073 0.000 0.264 197 G C 0.037 174.935 174.900 -0.004 0.000 0.975 197 G CA 0.442 45.541 45.100 -0.002 0.000 0.642 197 G HN 0.688 nan 8.290 nan 0.000 0.536 198 K N 1.895 122.286 120.400 -0.016 0.000 2.383 198 K HA 0.420 4.696 4.320 -0.073 0.000 0.286 198 K C 0.776 177.357 176.600 -0.031 0.000 1.051 198 K CA 0.555 56.827 56.287 -0.025 0.000 0.974 198 K CB 0.164 32.641 32.500 -0.037 0.000 0.968 198 K HN 0.354 nan 8.250 nan 0.000 0.475 199 T N 0.955 115.490 114.554 -0.031 0.000 2.829 199 T HA 0.471 4.777 4.350 -0.073 0.000 0.282 199 T C -0.058 174.605 174.700 -0.062 0.000 0.990 199 T CA -0.661 61.416 62.100 -0.037 0.000 1.028 199 T CB 1.526 70.382 68.868 -0.020 0.000 0.951 199 T HN 0.626 nan 8.240 nan 0.000 0.460 200 T N 0.277 114.788 114.554 -0.071 0.000 2.865 200 T HA 0.676 4.982 4.350 -0.073 0.000 0.294 200 T C -0.857 173.777 174.700 -0.111 0.000 1.119 200 T CA -1.102 60.936 62.100 -0.103 0.000 1.007 200 T CB 1.296 70.098 68.868 -0.110 0.000 1.225 200 T HN 0.568 nan 8.240 nan 0.000 0.515 201 I N 3.009 123.480 120.570 -0.164 0.000 2.330 201 I HA 0.323 4.449 4.170 -0.073 0.000 0.289 201 I C 1.121 177.086 176.117 -0.253 0.000 1.001 201 I CA -0.611 60.570 61.300 -0.198 0.000 1.193 201 I CB 0.825 38.657 38.000 -0.280 0.000 1.345 201 I HN 1.028 nan 8.210 nan 0.000 0.461 202 S N 4.265 119.869 115.700 -0.161 0.000 2.558 202 S HA 0.330 4.756 4.470 -0.073 0.000 0.291 202 S C 1.274 175.724 174.600 -0.249 0.000 1.306 202 S CA 0.335 58.453 58.200 -0.137 0.000 1.056 202 S CB 0.947 64.128 63.200 -0.031 0.000 0.836 202 S HN 1.262 nan 8.310 nan 0.000 0.504 203 G N 2.595 111.269 108.800 -0.209 0.000 4.754 203 G HA2 -0.367 3.549 3.960 -0.073 0.000 0.222 203 G HA3 -0.367 3.549 3.960 -0.073 0.000 0.222 203 G C 0.702 175.332 174.900 -0.451 0.000 1.377 203 G CA 0.609 45.575 45.100 -0.224 0.000 0.942 203 G HN 1.318 nan 8.290 nan 0.000 0.671 204 L N 1.703 122.337 121.223 -0.983 0.000 2.042 204 L HA 0.122 4.419 4.340 -0.073 0.000 0.210 204 L C 2.879 179.467 176.870 -0.471 0.000 1.076 204 L CA 3.363 57.609 54.840 -0.990 0.000 0.749 204 L CB -0.782 40.364 42.059 -1.522 0.000 0.893 204 L HN 0.461 nan 8.230 nan 0.000 0.432 205 S N -0.927 114.543 115.700 -0.383 0.000 2.353 205 S HA -0.171 4.255 4.470 -0.073 0.000 0.222 205 S C 1.935 176.428 174.600 -0.178 0.000 1.035 205 S CA 1.577 59.633 58.200 -0.241 0.000 1.025 205 S CB -0.592 62.484 63.200 -0.206 0.000 0.902 205 S HN 0.368 nan 8.310 nan 0.000 0.440 206 V N 2.014 121.820 119.914 -0.181 0.000 2.427 206 V HA -0.138 3.938 4.120 -0.073 0.000 0.248 206 V C 2.225 178.250 176.094 -0.115 0.000 1.051 206 V CA 1.511 63.725 62.300 -0.143 0.000 1.048 206 V CB -0.709 31.031 31.823 -0.140 0.000 0.666 206 V HN 0.446 nan 8.190 nan 0.000 0.456 207 M N 0.050 119.568 119.600 -0.137 0.000 2.108 207 M HA -0.174 4.262 4.480 -0.073 0.000 0.261 207 M C 2.379 178.687 176.300 0.013 0.000 1.066 207 M CA 2.123 57.392 55.300 -0.052 0.000 1.107 207 M CB -0.560 32.012 32.600 -0.046 0.000 1.356 207 M HN 0.409 nan 8.290 nan 0.000 0.406 208 A N 0.775 123.575 122.820 -0.034 0.000 1.933 208 A HA -0.192 4.084 4.320 -0.073 0.000 0.218 208 A C 1.705 179.311 177.584 0.036 0.000 1.175 208 A CA 2.138 54.186 52.037 0.019 0.000 0.628 208 A CB -1.101 17.897 19.000 -0.004 0.000 0.814 208 A HN 0.633 nan 8.150 nan 0.000 0.444 209 N N -0.675 118.014 118.700 -0.018 0.000 2.188 209 N HA -0.090 4.606 4.740 -0.073 0.000 0.184 209 N C 1.832 177.327 175.510 -0.026 0.000 1.018 209 N CA 1.502 54.529 53.050 -0.037 0.000 0.858 209 N CB -0.265 38.161 38.487 -0.100 0.000 0.989 209 N HN 0.470 nan 8.380 nan 0.000 0.426 210 M N 0.358 119.962 119.600 0.006 0.000 2.086 210 M HA -0.140 4.296 4.480 -0.073 0.000 0.261 210 M C 2.079 178.528 176.300 0.249 0.000 1.067 210 M CA 1.236 56.609 55.300 0.121 0.000 1.116 210 M CB -0.270 32.498 32.600 0.281 0.000 1.348 210 M HN 0.015 nan 8.290 nan 0.000 0.407 211 V N 0.239 120.276 119.914 0.206 0.000 2.287 211 V HA -0.258 3.818 4.120 -0.073 0.000 0.248 211 V C 2.279 178.490 176.094 0.196 0.000 1.053 211 V CA 2.211 64.635 62.300 0.206 0.000 1.027 211 V CB -0.803 31.119 31.823 0.166 0.000 0.646 211 V HN 0.441 nan 8.190 nan 0.000 0.447 212 E N 0.613 120.907 120.200 0.157 0.000 2.085 212 E HA -0.192 4.114 4.350 -0.073 0.000 0.194 212 E C 2.172 178.881 176.600 0.181 0.000 0.994 212 E CA 2.158 58.649 56.400 0.151 0.000 0.801 212 E CB -0.502 29.267 29.700 0.115 0.000 0.743 212 E HN 0.624 nan 8.360 nan 0.000 0.453 213 T N 0.621 115.283 114.554 0.180 0.000 2.857 213 T HA -0.044 4.263 4.350 -0.073 0.000 0.266 213 T C 1.865 176.811 174.700 0.410 0.000 1.048 213 T CA 1.135 63.384 62.100 0.250 0.000 1.139 213 T CB -0.207 68.753 68.868 0.153 0.000 0.874 213 T HN 0.113 nan 8.240 nan 0.000 0.455 214 L N 0.768 122.235 121.223 0.407 0.000 2.046 214 L HA -0.058 4.238 4.340 -0.073 0.000 0.208 214 L C 2.985 180.048 176.870 0.322 0.000 1.077 214 L CA 1.137 56.195 54.840 0.363 0.000 0.747 214 L CB -0.518 41.731 42.059 0.316 0.000 0.896 214 L HN 0.116 nan 8.230 nan 0.000 0.432 215 R N 1.077 121.751 120.500 0.290 0.000 2.081 215 R HA -0.147 4.149 4.340 -0.073 0.000 0.235 215 R C 2.201 178.715 176.300 0.356 0.000 1.131 215 R CA 1.570 57.851 56.100 0.302 0.000 0.960 215 R CB -0.517 29.939 30.300 0.259 0.000 0.856 215 R HN 0.354 nan 8.270 nan 0.000 0.436 216 L N -0.031 121.399 121.223 0.344 0.000 2.046 216 L HA -0.105 4.191 4.340 -0.073 0.000 0.208 216 L C 2.681 179.841 176.870 0.483 0.000 1.077 216 L CA 1.557 56.635 54.840 0.396 0.000 0.747 216 L CB -0.968 41.300 42.059 0.348 0.000 0.896 216 L HN 0.390 nan 8.230 nan 0.000 0.432 217 G N -0.581 108.503 108.800 0.474 0.000 2.446 217 G HA2 -0.307 3.609 3.960 -0.073 0.000 0.217 217 G HA3 -0.307 3.609 3.960 -0.073 0.000 0.217 217 G C 1.392 176.294 174.900 0.005 0.000 1.168 217 G CA 0.533 45.694 45.100 0.102 0.000 0.771 217 G HN 0.505 nan 8.290 nan 0.000 0.551 218 W N 1.682 122.984 121.300 0.003 0.000 2.332 218 W HA -0.159 4.457 4.660 -0.074 0.000 0.321 218 W C 2.443 178.945 176.519 -0.028 0.000 1.219 218 W CA 1.877 59.208 57.345 -0.023 0.000 1.277 218 W CB -0.516 28.961 29.460 0.028 0.000 1.161 218 W HN 0.302 nan 8.180 nan 0.000 0.476 219 S N 0.483 116.308 115.700 0.207 0.000 2.419 219 S HA -0.258 4.168 4.470 -0.073 0.000 0.233 219 S C 1.343 175.912 174.600 -0.051 0.000 1.016 219 S CA 1.822 60.109 58.200 0.145 0.000 0.974 219 S CB -0.415 62.956 63.200 0.286 0.000 0.786 219 S HN 0.332 nan 8.310 nan 0.000 0.492 220 E N 2.177 122.277 120.200 -0.167 0.000 2.347 220 E HA -0.107 4.199 4.350 -0.073 0.000 0.196 220 E C 0.627 176.632 176.600 -0.992 0.000 1.008 220 E CA 0.495 56.622 56.400 -0.456 0.000 0.852 220 E CB -0.361 29.168 29.700 -0.285 0.000 0.783 220 E HN 0.320 nan 8.360 nan 0.000 0.505 221 N N -0.405 117.846 118.700 -0.748 0.000 2.754 221 N HA -0.199 4.497 4.740 -0.073 0.000 0.248 221 N C -1.135 174.064 175.510 -0.519 0.000 1.093 221 N CA 0.602 53.273 53.050 -0.631 0.000 0.699 221 N CB -1.767 36.406 38.487 -0.525 0.000 1.016 221 N HN 0.309 nan 8.380 nan 0.000 0.552 222 L N 0.179 121.077 121.223 -0.542 0.000 2.514 222 L HA 0.158 4.454 4.340 -0.073 0.000 0.280 222 L C -1.246 175.393 176.870 -0.384 0.000 1.223 222 L CA -1.137 53.400 54.840 -0.506 0.000 0.864 222 L CB 0.071 41.761 42.059 -0.615 0.000 1.118 222 L HN 0.121 nan 8.230 nan 0.000 0.494 223 P HA -0.034 nan 4.420 nan 0.000 0.264 223 P C 0.828 177.994 177.300 -0.224 0.000 1.183 223 P CA 0.037 62.994 63.100 -0.238 0.000 0.763 223 P CB 0.471 32.054 31.700 -0.196 0.000 0.807 224 L N 1.939 123.064 121.223 -0.163 0.000 2.081 224 L HA -0.235 4.061 4.340 -0.073 0.000 0.212 224 L C 2.189 178.982 176.870 -0.129 0.000 1.080 224 L CA 2.261 57.040 54.840 -0.103 0.000 0.754 224 L CB -1.082 40.959 42.059 -0.029 0.000 0.893 224 L HN 0.456 nan 8.230 nan 0.000 0.433 225 S N -1.088 114.533 115.700 -0.132 0.000 2.474 225 S HA -0.169 4.257 4.470 -0.073 0.000 0.235 225 S C 1.628 176.072 174.600 -0.261 0.000 0.997 225 S CA 0.659 58.778 58.200 -0.135 0.000 0.949 225 S CB -0.131 63.019 63.200 -0.083 0.000 0.766 225 S HN 0.555 nan 8.310 nan 0.000 0.517 226 Q N -0.434 119.180 119.800 -0.311 0.000 2.247 226 Q HA 0.376 4.672 4.340 -0.073 0.000 0.211 226 Q C 1.405 177.101 176.000 -0.506 0.000 0.861 226 Q CA -0.163 55.388 55.803 -0.420 0.000 0.949 226 Q CB 0.283 28.822 28.738 -0.331 0.000 1.115 226 Q HN 0.470 nan 8.270 nan 0.000 0.507 227 L N -0.140 120.832 121.223 -0.418 0.000 2.115 227 L HA 0.266 4.562 4.340 -0.073 0.000 0.200 227 L C 0.620 177.207 176.870 -0.471 0.000 1.094 227 L CA 1.740 56.385 54.840 -0.326 0.000 0.769 227 L CB 0.010 41.992 42.059 -0.127 0.000 0.931 227 L HN -0.040 nan 8.230 nan 0.000 0.455 228 A N -2.379 120.210 122.820 -0.384 0.000 3.176 228 A HA 0.302 4.578 4.320 -0.073 0.000 0.265 228 A C -0.713 176.888 177.584 0.029 0.000 0.936 228 A CA -0.414 51.450 52.037 -0.289 0.000 1.033 228 A CB -0.665 18.331 19.000 -0.006 0.000 1.158 228 A HN 0.479 nan 8.150 nan 0.000 0.485 229 W N -0.406 120.806 121.300 -0.146 0.000 5.538 229 W HA -0.290 4.326 4.660 -0.073 0.000 0.377 229 W C 1.200 177.675 176.519 -0.074 0.000 1.406 229 W CA 1.286 58.563 57.345 -0.112 0.000 0.940 229 W CB -2.064 27.317 29.460 -0.130 0.000 2.536 229 W HN 1.681 nan 8.180 nan 0.000 1.504 230 G N -1.256 107.573 108.800 0.049 0.000 2.225 230 G HA2 -0.392 3.524 3.960 -0.073 0.000 0.254 230 G HA3 -0.392 3.524 3.960 -0.073 0.000 0.254 230 G C 1.254 176.186 174.900 0.054 0.000 0.988 230 G CA 0.722 45.847 45.100 0.041 0.000 0.625 230 G HN 0.269 nan 8.290 nan 0.000 0.527 231 K N -0.146 120.300 120.400 0.077 0.000 2.296 231 K HA 0.242 4.518 4.320 -0.073 0.000 0.200 231 K C 1.105 177.735 176.600 0.049 0.000 1.048 231 K CA 0.535 56.861 56.287 0.064 0.000 0.966 231 K CB 0.380 32.929 32.500 0.082 0.000 0.754 231 K HN 0.525 nan 8.250 nan 0.000 0.466 232 I N 0.731 121.336 120.570 0.058 0.000 2.354 232 I HA 0.108 4.234 4.170 -0.073 0.000 0.286 232 I C 0.452 176.647 176.117 0.129 0.000 1.007 232 I CA -0.281 61.055 61.300 0.060 0.000 1.167 232 I CB 1.770 39.810 38.000 0.067 0.000 1.320 232 I HN -0.089 nan 8.210 nan 0.000 0.458 233 A N 5.480 128.365 122.820 0.107 0.000 2.419 233 A HA 0.362 4.638 4.320 -0.073 0.000 0.233 233 A C 0.413 178.148 177.584 0.252 0.000 1.217 233 A CA 0.117 52.272 52.037 0.196 0.000 0.944 233 A CB 0.469 19.532 19.000 0.104 0.000 1.025 233 A HN 0.563 nan 8.150 nan 0.000 0.524 234 Q N -1.744 118.028 119.800 -0.047 0.000 2.389 234 Q HA 0.589 4.885 4.340 -0.073 0.000 0.277 234 Q C 0.712 176.193 176.000 -0.864 0.000 1.082 234 Q CA 0.180 55.844 55.803 -0.232 0.000 0.810 234 Q CB 1.777 30.452 28.738 -0.105 0.000 1.374 234 Q HN 0.164 nan 8.270 nan 0.000 0.422 235 A N 1.466 123.698 122.820 -0.980 0.000 1.917 235 A HA -0.248 4.028 4.320 -0.073 0.000 0.219 235 A C 1.884 179.116 177.584 -0.588 0.000 1.182 235 A CA 2.728 54.129 52.037 -1.060 0.000 0.633 235 A CB -0.621 18.120 19.000 -0.432 0.000 0.819 235 A HN 0.807 nan 8.150 nan 0.000 0.448 236 S N -0.548 114.943 115.700 -0.349 0.000 2.419 236 S HA -0.273 4.153 4.470 -0.073 0.000 0.235 236 S C 1.836 176.319 174.600 -0.195 0.000 1.019 236 S CA 1.547 59.618 58.200 -0.215 0.000 0.982 236 S CB -0.522 62.599 63.200 -0.132 0.000 0.789 236 S HN 0.721 nan 8.310 nan 0.000 0.490 237 Q N 0.129 119.786 119.800 -0.238 0.000 2.172 237 Q HA 0.068 4.364 4.340 -0.073 0.000 0.200 237 Q C 2.024 177.931 176.000 -0.155 0.000 0.964 237 Q CA 1.047 56.752 55.803 -0.163 0.000 0.855 237 Q CB -0.218 28.436 28.738 -0.140 0.000 0.918 237 Q HN 0.498 nan 8.270 nan 0.000 0.444 238 I N 0.545 120.951 120.570 -0.273 0.000 2.133 238 I HA -0.225 3.901 4.170 -0.073 0.000 0.238 238 I C 2.160 178.217 176.117 -0.101 0.000 1.074 238 I CA 1.518 62.709 61.300 -0.182 0.000 1.342 238 I CB -1.596 36.225 38.000 -0.299 0.000 1.053 238 I HN 0.193 nan 8.210 nan 0.000 0.404 239 T N 1.786 116.246 114.554 -0.158 0.000 2.649 239 T HA -0.239 4.068 4.350 -0.073 0.000 0.268 239 T C 1.926 176.610 174.700 -0.026 0.000 1.036 239 T CA 2.032 64.078 62.100 -0.089 0.000 1.157 239 T CB -0.466 68.323 68.868 -0.132 0.000 0.861 239 T HN 0.493 nan 8.240 nan 0.000 0.445 240 A N 0.574 123.372 122.820 -0.037 0.000 2.067 240 A HA 0.142 4.418 4.320 -0.073 0.000 0.219 240 A C 2.154 179.759 177.584 0.035 0.000 1.158 240 A CA 0.863 52.899 52.037 -0.001 0.000 0.661 240 A CB -0.613 18.379 19.000 -0.013 0.000 0.801 240 A HN 0.532 nan 8.150 nan 0.000 0.452 241 L N -0.830 120.418 121.223 0.043 0.000 2.509 241 L HA 0.072 4.368 4.340 -0.073 0.000 0.222 241 L C 1.957 178.888 176.870 0.103 0.000 1.123 241 L CA 0.098 54.991 54.840 0.088 0.000 0.856 241 L CB -0.235 41.888 42.059 0.105 0.000 0.985 241 L HN 0.344 nan 8.230 nan 0.000 0.456 242 L N 0.036 121.312 121.223 0.088 0.000 2.217 242 L HA -0.072 4.224 4.340 -0.073 0.000 0.211 242 L C -0.313 176.613 176.870 0.093 0.000 1.107 242 L CA 0.682 55.583 54.840 0.102 0.000 0.783 242 L CB -1.482 40.650 42.059 0.122 0.000 0.919 242 L HN 0.195 nan 8.230 nan 0.000 0.442 243 P HA -0.206 nan 4.420 nan 0.000 0.217 243 P C 1.856 179.221 177.300 0.108 0.000 1.148 243 P CA 1.396 64.548 63.100 0.088 0.000 0.828 243 P CB 0.071 31.823 31.700 0.087 0.000 0.783 244 L N -1.951 119.349 121.223 0.128 0.000 2.201 244 L HA -0.147 4.149 4.340 -0.073 0.000 0.212 244 L C 2.234 179.163 176.870 0.099 0.000 1.105 244 L CA 0.799 55.720 54.840 0.136 0.000 0.775 244 L CB -0.672 41.481 42.059 0.156 0.000 0.913 244 L HN 0.035 nan 8.230 nan 0.000 0.440 245 L N -0.829 120.456 121.223 0.105 0.000 2.095 245 L HA -0.106 4.190 4.340 -0.073 0.000 0.204 245 L C 2.426 179.378 176.870 0.136 0.000 1.080 245 L CA 1.910 56.824 54.840 0.123 0.000 0.759 245 L CB -0.681 41.434 42.059 0.094 0.000 0.914 245 L HN 0.075 nan 8.230 nan 0.000 0.439 246 T N -0.687 113.905 114.554 0.064 0.000 2.720 246 T HA -0.227 4.079 4.350 -0.073 0.000 0.268 246 T C 1.728 176.477 174.700 0.082 0.000 1.037 246 T CA 1.697 63.820 62.100 0.038 0.000 1.144 246 T CB -0.129 68.743 68.868 0.006 0.000 0.864 246 T HN 0.358 nan 8.240 nan 0.000 0.444 247 E N 1.377 121.626 120.200 0.083 0.000 2.077 247 E HA -0.115 4.191 4.350 -0.073 0.000 0.193 247 E C 2.180 178.804 176.600 0.039 0.000 0.989 247 E CA 1.096 57.541 56.400 0.075 0.000 0.800 247 E CB -0.265 29.506 29.700 0.118 0.000 0.746 247 E HN 0.438 nan 8.360 nan 0.000 0.452 248 N N -1.192 117.524 118.700 0.027 0.000 2.188 248 N HA -0.169 4.527 4.740 -0.073 0.000 0.184 248 N C 1.559 177.051 175.510 -0.030 0.000 1.018 248 N CA 0.911 53.934 53.050 -0.044 0.000 0.858 248 N CB -0.103 38.342 38.487 -0.070 0.000 0.989 248 N HN 0.212 nan 8.380 nan 0.000 0.426 249 Y N 1.856 122.120 120.300 -0.061 0.000 2.128 249 Y HA -0.177 4.329 4.550 -0.073 0.000 0.284 249 Y C 2.154 178.016 175.900 -0.063 0.000 1.154 249 Y CA 1.480 59.542 58.100 -0.062 0.000 1.149 249 Y CB -0.422 37.996 38.460 -0.071 0.000 0.976 249 Y HN 0.097 nan 8.280 nan 0.000 0.505 250 D N -0.267 120.184 120.400 0.086 0.000 2.158 250 D HA -0.153 4.443 4.640 -0.073 0.000 0.197 250 D C 1.448 177.750 176.300 0.004 0.000 0.995 250 D CA 1.355 55.371 54.000 0.028 0.000 0.846 250 D CB -0.252 40.564 40.800 0.026 0.000 0.941 250 D HN 0.315 nan 8.370 nan 0.000 0.456 251 L N -0.062 121.153 121.223 -0.014 0.000 2.741 251 L HA 0.184 4.481 4.340 -0.073 0.000 0.237 251 L C 1.255 178.088 176.870 -0.062 0.000 1.178 251 L CA -0.040 54.782 54.840 -0.029 0.000 0.973 251 L CB 0.002 42.041 42.059 -0.032 0.000 1.255 251 L HN 0.019 nan 8.230 nan 0.000 0.498 252 S N -2.229 113.418 115.700 -0.089 0.000 4.238 252 S HA 0.049 4.475 4.470 -0.073 0.000 0.167 252 S C 1.168 175.701 174.600 -0.113 0.000 0.921 252 S CA -0.099 58.028 58.200 -0.122 0.000 1.128 252 S CB 0.139 63.216 63.200 -0.205 0.000 1.636 252 S HN 0.158 nan 8.310 nan 0.000 0.753 253 N N 2.247 120.839 118.700 -0.180 0.000 2.331 253 N HA 0.108 4.804 4.740 -0.073 0.000 0.180 253 N C 0.210 175.698 175.510 -0.037 0.000 1.019 253 N CA 1.250 54.227 53.050 -0.121 0.000 0.881 253 N CB -0.018 38.361 38.487 -0.180 0.000 0.972 253 N HN 0.447 nan 8.380 nan 0.000 0.435 254 D N 0.074 120.465 120.400 -0.016 0.000 2.340 254 D HA 0.061 4.657 4.640 -0.073 0.000 0.217 254 D C -0.308 175.989 176.300 -0.004 0.000 1.081 254 D CA 0.103 54.100 54.000 -0.006 0.000 0.842 254 D CB 0.350 41.146 40.800 -0.006 0.000 0.934 254 D HN -0.026 nan 8.370 nan 0.000 0.511 255 V N 2.321 122.234 119.914 -0.001 0.000 2.529 255 V HA -0.086 3.990 4.120 -0.073 0.000 0.292 255 V C 1.713 177.828 176.094 0.036 0.000 1.028 255 V CA -0.231 62.083 62.300 0.024 0.000 1.074 255 V CB 1.227 33.073 31.823 0.038 0.000 0.958 255 V HN 0.027 nan 8.190 nan 0.000 0.481 256 L N 5.845 127.099 121.223 0.051 0.000 1.990 256 L HA -0.191 4.105 4.340 -0.073 0.000 0.213 256 L C 1.977 178.886 176.870 0.065 0.000 1.072 256 L CA 2.321 57.191 54.840 0.050 0.000 0.755 256 L CB -1.146 40.948 42.059 0.059 0.000 0.889 256 L HN 0.786 nan 8.230 nan 0.000 0.432 257 Y N 0.163 120.460 120.300 -0.005 0.000 2.114 257 Y HA -0.301 4.205 4.550 -0.073 0.000 0.282 257 Y C 2.454 178.351 175.900 -0.005 0.000 1.165 257 Y CA 2.572 60.670 58.100 -0.004 0.000 1.148 257 Y CB -0.902 37.555 38.460 -0.005 0.000 0.972 257 Y HN 0.265 nan 8.280 nan 0.000 0.504 258 T N 0.631 115.120 114.554 -0.108 0.000 2.777 258 T HA -0.143 4.163 4.350 -0.073 0.000 0.266 258 T C 2.119 176.707 174.700 -0.186 0.000 1.040 258 T CA 1.455 63.438 62.100 -0.196 0.000 1.141 258 T CB -0.770 68.074 68.868 -0.040 0.000 0.868 258 T HN 0.488 nan 8.240 nan 0.000 0.444 259 A N 1.235 123.993 122.820 -0.104 0.000 1.930 259 A HA -0.119 4.157 4.320 -0.073 0.000 0.217 259 A C 2.308 179.838 177.584 -0.090 0.000 1.175 259 A CA 1.292 53.287 52.037 -0.069 0.000 0.627 259 A CB -0.584 18.397 19.000 -0.030 0.000 0.815 259 A HN 0.495 nan 8.150 nan 0.000 0.443 260 Q N -0.485 119.244 119.800 -0.117 0.000 2.030 260 Q HA -0.185 4.111 4.340 -0.073 0.000 0.204 260 Q C 2.045 177.950 176.000 -0.159 0.000 0.986 260 Q CA 1.527 57.262 55.803 -0.114 0.000 0.843 260 Q CB -0.166 28.520 28.738 -0.087 0.000 0.904 260 Q HN 0.394 nan 8.270 nan 0.000 0.420 261 K N 0.460 120.683 120.400 -0.295 0.000 2.025 261 K HA -0.078 4.198 4.320 -0.073 0.000 0.207 261 K C 1.905 178.415 176.600 -0.150 0.000 1.049 261 K CA 1.291 57.417 56.287 -0.268 0.000 0.933 261 K CB -0.087 32.136 32.500 -0.463 0.000 0.714 261 K HN 0.177 nan 8.250 nan 0.000 0.438 262 R N -0.980 119.439 120.500 -0.136 0.000 2.312 262 R HA 0.101 4.397 4.340 -0.073 0.000 0.205 262 R C 1.772 178.057 176.300 -0.025 0.000 0.904 262 R CA 0.574 56.638 56.100 -0.060 0.000 1.052 262 R CB 0.532 30.802 30.300 -0.049 0.000 1.014 262 R HN 0.197 nan 8.270 nan 0.000 0.503 263 G N -0.699 108.079 108.800 -0.038 0.000 2.833 263 G HA2 -0.047 3.869 3.960 -0.073 0.000 0.214 263 G HA3 -0.047 3.869 3.960 -0.073 0.000 0.214 263 G C 1.143 176.030 174.900 -0.022 0.000 1.075 263 G CA -0.182 44.913 45.100 -0.009 0.000 0.799 263 G HN 0.043 nan 8.290 nan 0.000 0.541 264 S N 0.342 116.016 115.700 -0.043 0.000 2.374 264 S HA -0.168 4.259 4.470 -0.073 0.000 0.227 264 S C 2.386 176.957 174.600 -0.048 0.000 1.037 264 S CA 1.397 59.571 58.200 -0.044 0.000 1.024 264 S CB -0.280 62.890 63.200 -0.049 0.000 0.861 264 S HN 0.201 nan 8.310 nan 0.000 0.456 265 V N 1.294 121.171 119.914 -0.062 0.000 2.490 265 V HA -0.099 3.977 4.120 -0.073 0.000 0.250 265 V C 1.940 177.980 176.094 -0.089 0.000 1.061 265 V CA 1.499 63.745 62.300 -0.089 0.000 1.064 265 V CB -0.236 31.511 31.823 -0.126 0.000 0.670 265 V HN 0.405 nan 8.190 nan 0.000 0.461 266 L N -0.674 120.513 121.223 -0.060 0.000 2.102 266 L HA 0.097 4.393 4.340 -0.073 0.000 0.202 266 L C 2.131 178.996 176.870 -0.009 0.000 1.076 266 L CA 1.988 56.808 54.840 -0.033 0.000 0.761 266 L CB -0.903 41.178 42.059 0.038 0.000 0.921 266 L HN 0.356 nan 8.230 nan 0.000 0.444 267 L N 0.336 121.555 121.223 -0.007 0.000 2.012 267 L HA -0.239 4.057 4.340 -0.073 0.000 0.210 267 L C 2.293 179.144 176.870 -0.032 0.000 1.073 267 L CA 2.156 56.987 54.840 -0.015 0.000 0.748 267 L CB -1.162 40.884 42.059 -0.023 0.000 0.891 267 L HN 0.499 nan 8.230 nan 0.000 0.431 268 N N -0.348 118.329 118.700 -0.039 0.000 2.104 268 N HA -0.176 4.520 4.740 -0.073 0.000 0.190 268 N C 1.785 177.271 175.510 -0.040 0.000 1.024 268 N CA 1.690 54.715 53.050 -0.042 0.000 0.853 268 N CB -0.274 38.184 38.487 -0.047 0.000 1.008 268 N HN 0.481 nan 8.380 nan 0.000 0.424 269 A N 0.124 122.916 122.820 -0.048 0.000 1.933 269 A HA -0.105 4.171 4.320 -0.073 0.000 0.218 269 A C 2.285 179.859 177.584 -0.018 0.000 1.175 269 A CA 1.390 53.398 52.037 -0.047 0.000 0.628 269 A CB -0.492 18.462 19.000 -0.077 0.000 0.814 269 A HN 0.409 nan 8.150 nan 0.000 0.444 270 M N -0.781 118.815 119.600 -0.006 0.000 2.123 270 M HA -0.003 4.433 4.480 -0.073 0.000 0.263 270 M C 2.111 178.414 176.300 0.005 0.000 1.069 270 M CA 1.156 56.465 55.300 0.015 0.000 1.133 270 M CB -0.406 32.208 32.600 0.023 0.000 1.356 270 M HN 0.349 nan 8.290 nan 0.000 0.415 271 L N 0.006 121.217 121.223 -0.021 0.000 2.042 271 L HA -0.266 4.030 4.340 -0.073 0.000 0.210 271 L C 1.919 178.795 176.870 0.011 0.000 1.076 271 L CA 1.161 55.983 54.840 -0.031 0.000 0.749 271 L CB -0.941 41.080 42.059 -0.064 0.000 0.893 271 L HN 0.310 nan 8.230 nan 0.000 0.432 272 D N 0.027 120.430 120.400 0.004 0.000 2.178 272 D HA -0.114 4.482 4.640 -0.073 0.000 0.202 272 D C 2.117 178.433 176.300 0.027 0.000 0.974 272 D CA 1.369 55.378 54.000 0.015 0.000 0.841 272 D CB -0.262 40.532 40.800 -0.009 0.000 0.953 272 D HN 0.343 nan 8.370 nan 0.000 0.478 273 G N 0.380 109.195 108.800 0.024 0.000 2.422 273 G HA2 -0.178 3.738 3.960 -0.073 0.000 0.218 273 G HA3 -0.178 3.738 3.960 -0.073 0.000 0.218 273 G C 1.558 176.493 174.900 0.057 0.000 1.140 273 G CA 0.295 45.414 45.100 0.032 0.000 0.775 273 G HN 0.296 nan 8.290 nan 0.000 0.545 274 V N 0.034 120.000 119.914 0.087 0.000 3.623 274 V HA 0.270 4.346 4.120 -0.073 0.000 0.271 274 V C 0.961 177.202 176.094 0.244 0.000 1.248 274 V CA 0.262 62.648 62.300 0.144 0.000 1.156 274 V CB -0.458 31.457 31.823 0.153 0.000 0.870 274 V HN 0.188 nan 8.190 nan 0.000 0.453 275 K N 1.373 121.898 120.400 0.207 0.000 2.144 275 K HA 0.345 4.621 4.320 -0.073 0.000 0.270 275 K C -2.390 174.225 176.600 0.025 0.000 1.005 275 K CA -1.683 54.733 56.287 0.216 0.000 0.932 275 K CB 0.612 33.223 32.500 0.186 0.000 1.021 275 K HN 0.090 nan 8.250 nan 0.000 0.462 276 P HA -0.094 nan 4.420 nan 0.000 0.267 276 P C -0.816 176.461 177.300 -0.040 0.000 1.201 276 P CA 0.481 63.527 63.100 -0.091 0.000 0.775 276 P CB 0.369 31.987 31.700 -0.136 0.000 0.854 277 E N -2.708 117.468 120.200 -0.040 0.000 2.791 277 E HA -0.221 4.085 4.350 -0.073 0.000 0.271 277 E C 0.089 176.673 176.600 -0.027 0.000 1.044 277 E CA 1.122 57.503 56.400 -0.031 0.000 0.814 277 E CB -2.403 27.281 29.700 -0.027 0.000 1.400 277 E HN 0.591 nan 8.360 nan 0.000 0.423 278 A N 0.214 123.019 122.820 -0.024 0.000 2.351 278 A HA 0.518 4.794 4.320 -0.073 0.000 0.257 278 A C 0.411 177.969 177.584 -0.043 0.000 1.087 278 A CA 0.337 52.360 52.037 -0.024 0.000 0.798 278 A CB 1.068 20.063 19.000 -0.009 0.000 1.033 278 A HN 0.130 nan 8.150 nan 0.000 0.488 279 S N 1.992 117.658 115.700 -0.057 0.000 2.552 279 S HA 0.664 5.090 4.470 -0.073 0.000 0.314 279 S C -2.375 172.153 174.600 -0.119 0.000 1.099 279 S CA -1.183 56.966 58.200 -0.086 0.000 1.070 279 S CB 0.885 64.034 63.200 -0.084 0.000 0.998 279 S HN 0.705 nan 8.310 nan 0.000 0.474 280 P HA 0.277 nan 4.420 nan 0.000 0.279 280 P C -0.924 176.320 177.300 -0.094 0.000 1.276 280 P CA -0.747 62.257 63.100 -0.160 0.000 0.801 280 P CB 0.483 32.023 31.700 -0.267 0.000 1.127 281 N N 0.761 119.416 118.700 -0.075 0.000 2.421 281 N HA 0.230 4.926 4.740 -0.073 0.000 0.260 281 N C -0.759 174.736 175.510 -0.025 0.000 1.173 281 N CA -0.005 53.018 53.050 -0.044 0.000 0.960 281 N CB -0.719 37.743 38.487 -0.041 0.000 1.273 281 N HN 0.245 nan 8.380 nan 0.000 0.497 282 V N 1.720 121.631 119.914 -0.004 0.000 3.049 282 V HA 0.566 4.642 4.120 -0.073 0.000 0.309 282 V C 0.856 176.977 176.094 0.045 0.000 1.148 282 V CA -0.986 61.335 62.300 0.035 0.000 0.990 282 V CB 2.055 33.922 31.823 0.073 0.000 1.039 282 V HN 0.233 nan 8.190 nan 0.000 0.430 283 R N 0.547 121.088 120.500 0.070 0.000 2.200 283 R HA 0.155 4.451 4.340 -0.073 0.000 0.208 283 R C -0.285 176.076 176.300 0.103 0.000 1.033 283 R CA 0.780 56.906 56.100 0.043 0.000 1.000 283 R CB 0.082 30.398 30.300 0.027 0.000 0.906 283 R HN 0.845 nan 8.270 nan 0.000 0.462 284 W N 1.135 122.404 121.300 -0.051 0.000 2.728 284 W HA 0.325 4.944 4.660 -0.069 0.000 0.324 284 W C -1.711 174.828 176.519 0.032 0.000 1.012 284 W CA -2.289 55.024 57.345 -0.054 0.000 1.279 284 W CB 0.368 29.805 29.460 -0.039 0.000 1.289 284 W HN -0.217 nan 8.180 nan 0.000 0.418 285 L N 7.710 129.119 121.223 0.309 0.000 2.260 285 L HA 0.544 4.840 4.340 -0.073 0.000 0.289 285 L C -1.323 175.634 176.870 0.146 0.000 1.057 285 L CA -0.518 54.428 54.840 0.176 0.000 0.811 285 L CB 0.943 43.094 42.059 0.155 0.000 1.184 285 L HN 0.313 nan 8.230 nan 0.000 0.429 286 L N 6.689 127.894 121.223 -0.029 0.000 2.316 286 L HA 0.556 4.852 4.340 -0.073 0.000 0.280 286 L C -1.339 175.539 176.870 0.014 0.000 1.006 286 L CA -0.206 54.593 54.840 -0.069 0.000 0.836 286 L CB 1.152 42.966 42.059 -0.407 0.000 1.221 286 L HN 0.541 nan 8.230 nan 0.000 0.418 287 L N 5.833 127.111 121.223 0.092 0.000 2.317 287 L HA 0.672 4.968 4.340 -0.073 0.000 0.281 287 L C -0.765 176.108 176.870 0.005 0.000 1.024 287 L CA -0.971 53.952 54.840 0.137 0.000 0.810 287 L CB 1.879 44.099 42.059 0.268 0.000 1.240 287 L HN 0.276 nan 8.230 nan 0.000 0.427 288 V N 2.571 122.407 119.914 -0.131 0.000 2.380 288 V HA 0.748 4.824 4.120 -0.073 0.000 0.286 288 V C 0.142 175.892 176.094 -0.575 0.000 1.015 288 V CA -0.163 61.985 62.300 -0.253 0.000 0.834 288 V CB 0.976 32.683 31.823 -0.193 0.000 1.009 288 V HN 1.004 nan 8.190 nan 0.000 0.428 289 A N 4.029 126.475 122.820 -0.622 0.000 4.069 289 A HA 0.865 5.141 4.320 -0.073 0.000 0.188 289 A C -0.654 176.488 177.584 -0.738 0.000 0.718 289 A CA -0.428 51.009 52.037 -0.999 0.000 0.753 289 A CB 1.137 19.480 19.000 -1.094 0.000 1.566 289 A HN 0.706 nan 8.150 nan 0.000 0.836 290 H N -0.005 118.989 119.070 -0.126 0.000 2.710 290 H HA 0.287 4.800 4.556 -0.073 0.000 0.361 290 H C -0.107 175.252 175.328 0.051 0.000 1.175 290 H CA 0.195 56.229 56.048 -0.024 0.000 1.206 290 H CB 1.169 30.925 29.762 -0.011 0.000 1.750 290 H HN 0.758 nan 8.280 nan 0.000 0.553 291 D N -0.116 120.420 120.400 0.226 0.000 2.149 291 D HA -0.202 4.394 4.640 -0.073 0.000 0.198 291 D C 1.592 178.066 176.300 0.290 0.000 0.990 291 D CA 2.048 56.185 54.000 0.228 0.000 0.839 291 D CB -0.822 40.111 40.800 0.223 0.000 0.948 291 D HN 0.629 nan 8.370 nan 0.000 0.460 292 T N -1.565 113.143 114.554 0.257 0.000 2.759 292 T HA -0.217 4.090 4.350 -0.073 0.000 0.269 292 T C 1.678 176.473 174.700 0.159 0.000 1.042 292 T CA 1.602 63.804 62.100 0.170 0.000 1.140 292 T CB -0.881 68.020 68.868 0.055 0.000 0.864 292 T HN 0.254 nan 8.240 nan 0.000 0.455 293 N N 1.501 120.309 118.700 0.180 0.000 2.080 293 N HA 0.097 4.793 4.740 -0.073 0.000 0.189 293 N C 1.889 177.493 175.510 0.156 0.000 1.036 293 N CA 1.358 54.511 53.050 0.172 0.000 0.846 293 N CB -0.451 38.159 38.487 0.206 0.000 1.015 293 N HN 0.337 nan 8.380 nan 0.000 0.423 294 I N 1.003 121.673 120.570 0.166 0.000 2.208 294 I HA -0.272 3.854 4.170 -0.073 0.000 0.245 294 I C 2.402 178.614 176.117 0.158 0.000 1.097 294 I CA 0.937 62.343 61.300 0.176 0.000 1.363 294 I CB -0.389 37.733 38.000 0.202 0.000 1.051 294 I HN 0.191 nan 8.210 nan 0.000 0.413 295 A N 0.548 123.464 122.820 0.160 0.000 1.908 295 A HA -0.232 4.044 4.320 -0.073 0.000 0.218 295 A C 2.354 179.978 177.584 0.066 0.000 1.181 295 A CA 1.797 53.905 52.037 0.118 0.000 0.627 295 A CB -0.559 18.631 19.000 0.317 0.000 0.818 295 A HN 0.361 nan 8.150 nan 0.000 0.445 296 M N -1.075 118.571 119.600 0.076 0.000 2.156 296 M HA -0.087 4.349 4.480 -0.073 0.000 0.264 296 M C 2.104 178.426 176.300 0.036 0.000 1.067 296 M CA 1.087 56.409 55.300 0.038 0.000 1.131 296 M CB -0.315 32.302 32.600 0.029 0.000 1.368 296 M HN 0.244 nan 8.290 nan 0.000 0.416 297 V N 1.146 121.099 119.914 0.065 0.000 2.295 297 V HA -0.276 3.800 4.120 -0.073 0.000 0.246 297 V C 2.384 178.522 176.094 0.072 0.000 1.049 297 V CA 2.298 64.638 62.300 0.067 0.000 1.024 297 V CB -0.798 31.083 31.823 0.096 0.000 0.648 297 V HN 0.534 nan 8.190 nan 0.000 0.447 298 R N 0.133 120.689 120.500 0.093 0.000 2.148 298 R HA -0.072 4.224 4.340 -0.073 0.000 0.223 298 R C 1.940 178.250 176.300 0.016 0.000 1.088 298 R CA 1.811 57.971 56.100 0.100 0.000 0.985 298 R CB -1.619 28.706 30.300 0.041 0.000 0.880 298 R HN 0.362 nan 8.270 nan 0.000 0.451 299 T N 1.493 116.034 114.554 -0.020 0.000 2.737 299 T HA 0.070 4.376 4.350 -0.073 0.000 0.265 299 T C 1.669 176.374 174.700 0.008 0.000 1.038 299 T CA 1.446 63.533 62.100 -0.022 0.000 1.144 299 T CB -0.211 68.642 68.868 -0.024 0.000 0.866 299 T HN 0.120 nan 8.240 nan 0.000 0.434 300 L N 0.400 121.628 121.223 0.008 0.000 2.127 300 L HA -0.063 4.233 4.340 -0.073 0.000 0.211 300 L C 2.485 179.357 176.870 0.004 0.000 1.089 300 L CA 1.224 56.066 54.840 0.004 0.000 0.757 300 L CB -0.550 41.505 42.059 -0.007 0.000 0.899 300 L HN 0.331 nan 8.230 nan 0.000 0.434 301 M N -1.085 118.522 119.600 0.012 0.000 2.619 301 M HA -0.087 4.349 4.480 -0.073 0.000 0.251 301 M C 0.714 177.060 176.300 0.077 0.000 1.106 301 M CA 0.506 55.795 55.300 -0.019 0.000 1.086 301 M CB -0.363 32.224 32.600 -0.022 0.000 1.465 301 M HN 0.336 nan 8.290 nan 0.000 0.506 302 N N 0.860 119.625 118.700 0.109 0.000 2.710 302 N HA -0.223 4.473 4.740 -0.073 0.000 0.249 302 N C -0.998 174.696 175.510 0.307 0.000 1.059 302 N CA -0.185 52.960 53.050 0.159 0.000 0.720 302 N CB -0.491 38.090 38.487 0.157 0.000 0.983 302 N HN 0.202 nan 8.380 nan 0.000 0.544 303 F N 1.711 121.719 119.950 0.098 0.000 2.332 303 F HA 0.473 4.957 4.527 -0.071 0.000 0.368 303 F C -0.242 175.578 175.800 0.034 0.000 1.110 303 F CA -1.246 56.883 58.000 0.214 0.000 1.087 303 F CB 1.120 40.261 39.000 0.235 0.000 1.235 303 F HN -0.034 nan 8.300 nan 0.000 0.470 304 S N 7.316 123.055 115.700 0.066 0.000 2.449 304 S HA 0.707 5.133 4.470 -0.073 0.000 0.310 304 S C -1.112 173.369 174.600 -0.198 0.000 1.096 304 S CA -0.418 57.599 58.200 -0.305 0.000 1.095 304 S CB 0.238 63.361 63.200 -0.129 0.000 1.007 304 S HN 0.624 nan 8.310 nan 0.000 0.474 305 W N 3.246 124.362 121.300 -0.306 0.000 2.820 305 W HA 0.750 5.366 4.660 -0.074 0.000 0.350 305 W C -0.870 175.605 176.519 -0.073 0.000 1.116 305 W CA -1.073 56.170 57.345 -0.170 0.000 1.146 305 W CB 0.781 30.091 29.460 -0.249 0.000 1.433 305 W HN 0.587 nan 8.180 nan 0.000 0.561 306 Q N 2.318 122.328 119.800 0.350 0.000 2.374 306 Q HA 0.400 4.696 4.340 -0.073 0.000 0.250 306 Q C -1.775 174.408 176.000 0.306 0.000 0.918 306 Q CA -0.426 55.552 55.803 0.292 0.000 0.778 306 Q CB 1.234 30.060 28.738 0.147 0.000 1.328 306 Q HN 0.748 nan 8.270 nan 0.000 0.445 307 L N 4.537 125.985 121.223 0.376 0.000 2.375 307 L HA 0.551 4.847 4.340 -0.073 0.000 0.271 307 L C -2.002 175.034 176.870 0.276 0.000 1.107 307 L CA -2.225 52.804 54.840 0.315 0.000 0.806 307 L CB 0.744 43.017 42.059 0.356 0.000 1.146 307 L HN 0.512 nan 8.230 nan 0.000 0.447 308 P HA -0.026 nan 4.420 nan 0.000 0.261 308 P C 0.733 178.022 177.300 -0.018 0.000 1.173 308 P CA 0.968 64.112 63.100 0.074 0.000 0.760 308 P CB 0.504 32.231 31.700 0.045 0.000 0.783 309 G N 0.925 109.677 108.800 -0.081 0.000 2.176 309 G HA2 -0.243 3.673 3.960 -0.073 0.000 0.253 309 G HA3 -0.243 3.673 3.960 -0.073 0.000 0.253 309 G C -0.338 174.352 174.900 -0.350 0.000 0.979 309 G CA -0.271 44.676 45.100 -0.254 0.000 0.641 309 G HN 0.447 nan 8.290 nan 0.000 0.530 310 Y N 0.853 121.190 120.300 0.061 0.000 2.570 310 Y HA 0.676 5.182 4.550 -0.074 0.000 0.345 310 Y C 0.813 176.752 175.900 0.066 0.000 1.014 310 Y CA -0.694 57.451 58.100 0.075 0.000 1.063 310 Y CB 1.796 40.332 38.460 0.127 0.000 1.272 310 Y HN 0.392 nan 8.280 nan 0.000 0.477 311 S N 1.296 117.141 115.700 0.242 0.000 2.632 311 S HA 0.414 4.840 4.470 -0.073 0.000 0.267 311 S C -0.014 174.639 174.600 0.087 0.000 1.276 311 S CA -1.051 57.225 58.200 0.125 0.000 0.998 311 S CB 0.920 64.170 63.200 0.084 0.000 0.953 311 S HN 0.734 nan 8.310 nan 0.000 0.547 312 R N 0.008 120.518 120.500 0.016 0.000 2.537 312 R HA 0.297 4.593 4.340 -0.073 0.000 0.281 312 R C 1.420 177.582 176.300 -0.229 0.000 0.988 312 R CA 1.327 57.377 56.100 -0.083 0.000 1.077 312 R CB -0.785 29.460 30.300 -0.092 0.000 0.932 312 R HN 1.386 nan 8.270 nan 0.000 0.409 313 G N 2.871 111.358 108.800 -0.522 0.000 2.189 313 G HA2 -0.353 3.563 3.960 -0.073 0.000 0.267 313 G HA3 -0.353 3.563 3.960 -0.073 0.000 0.267 313 G C 0.155 174.804 174.900 -0.418 0.000 0.975 313 G CA 0.395 44.963 45.100 -0.886 0.000 0.644 313 G HN 0.806 nan 8.290 nan 0.000 0.537 314 N N 0.468 119.117 118.700 -0.085 0.000 2.492 314 N HA 0.266 4.962 4.740 -0.073 0.000 0.262 314 N C 0.181 175.723 175.510 0.055 0.000 1.202 314 N CA 0.202 53.207 53.050 -0.075 0.000 0.926 314 N CB 0.141 38.618 38.487 -0.016 0.000 1.078 314 N HN 0.336 nan 8.380 nan 0.000 0.454 315 I N 5.121 125.657 120.570 -0.057 0.000 2.412 315 I HA 0.266 4.392 4.170 -0.073 0.000 0.279 315 I C -2.175 173.966 176.117 0.040 0.000 1.063 315 I CA -1.960 59.410 61.300 0.117 0.000 1.193 315 I CB 1.445 39.490 38.000 0.075 0.000 1.370 315 I HN 0.317 nan 8.210 nan 0.000 0.479 316 P HA 0.160 nan 4.420 nan 0.000 0.272 316 P C -2.443 174.874 177.300 0.028 0.000 1.240 316 P CA -1.311 61.748 63.100 -0.068 0.000 0.791 316 P CB -0.227 31.350 31.700 -0.206 0.000 0.978 317 P HA -0.020 nan 4.420 nan 0.000 0.268 317 P C 0.791 178.114 177.300 0.037 0.000 1.204 317 P CA 0.958 64.100 63.100 0.072 0.000 0.768 317 P CB 0.053 31.821 31.700 0.113 0.000 0.842 318 G N 1.950 110.757 108.800 0.012 0.000 2.168 318 G HA2 -0.256 3.660 3.960 -0.073 0.000 0.263 318 G HA3 -0.256 3.660 3.960 -0.073 0.000 0.263 318 G C 0.359 175.225 174.900 -0.057 0.000 0.977 318 G CA 0.482 45.569 45.100 -0.021 0.000 0.659 318 G HN 0.874 nan 8.290 nan 0.000 0.533 319 S N -0.527 115.131 115.700 -0.070 0.000 2.645 319 S HA 0.804 5.230 4.470 -0.073 0.000 0.266 319 S C 0.164 174.674 174.600 -0.151 0.000 1.258 319 S CA 0.606 58.678 58.200 -0.213 0.000 0.990 319 S CB 2.045 65.093 63.200 -0.253 0.000 0.967 319 S HN 1.956 nan 8.310 nan 0.000 0.556 320 S N 0.489 116.000 115.700 -0.314 0.000 2.533 320 S HA 0.522 4.948 4.470 -0.073 0.000 0.271 320 S C -1.079 173.488 174.600 -0.054 0.000 1.143 320 S CA -0.991 57.158 58.200 -0.084 0.000 0.891 320 S CB 0.792 63.979 63.200 -0.022 0.000 1.105 320 S HN 0.819 nan 8.310 nan 0.000 0.468 321 L N 2.832 124.137 121.223 0.136 0.000 2.276 321 L HA 0.710 5.006 4.340 -0.073 0.000 0.286 321 L C -1.249 175.621 176.870 0.000 0.000 1.061 321 L CA -0.671 54.264 54.840 0.158 0.000 0.807 321 L CB 1.283 43.480 42.059 0.230 0.000 1.177 321 L HN 0.707 nan 8.230 nan 0.000 0.429 322 V N 5.959 125.759 119.914 -0.190 0.000 2.588 322 V HA 0.438 4.514 4.120 -0.073 0.000 0.304 322 V C -0.228 175.694 176.094 -0.286 0.000 1.042 322 V CA -0.600 61.496 62.300 -0.338 0.000 0.877 322 V CB 1.995 33.315 31.823 -0.837 0.000 0.996 322 V HN 0.547 nan 8.190 nan 0.000 0.425 323 L N 4.170 125.327 121.223 -0.111 0.000 2.305 323 L HA 0.655 4.951 4.340 -0.073 0.000 0.284 323 L C -0.250 176.641 176.870 0.034 0.000 1.013 323 L CA -0.405 54.417 54.840 -0.030 0.000 0.819 323 L CB 1.787 43.840 42.059 -0.010 0.000 1.227 323 L HN 0.631 nan 8.230 nan 0.000 0.417 324 E N 3.075 123.359 120.200 0.141 0.000 2.199 324 E HA 0.379 4.685 4.350 -0.073 0.000 0.265 324 E C -0.929 175.826 176.600 0.258 0.000 0.882 324 E CA -0.792 55.702 56.400 0.157 0.000 0.759 324 E CB 2.847 32.750 29.700 0.338 0.000 1.148 324 E HN 0.369 nan 8.360 nan 0.000 0.412 325 R N 3.390 123.962 120.500 0.121 0.000 2.221 325 R HA 0.310 4.606 4.340 -0.073 0.000 0.327 325 R C -1.334 175.005 176.300 0.065 0.000 1.033 325 R CA -0.305 55.931 56.100 0.227 0.000 0.887 325 R CB 0.643 31.028 30.300 0.141 0.000 1.057 325 R HN 0.445 nan 8.270 nan 0.000 0.455 326 W N 2.910 124.343 121.300 0.222 0.000 2.719 326 W HA 0.493 5.112 4.660 -0.068 0.000 0.352 326 W C -0.061 176.649 176.519 0.318 0.000 1.085 326 W CA -0.729 56.762 57.345 0.243 0.000 1.187 326 W CB 1.350 30.945 29.460 0.224 0.000 1.417 326 W HN 0.281 nan 8.180 nan 0.000 0.557 327 R N 2.000 122.850 120.500 0.585 0.000 2.561 327 R HA 0.158 4.454 4.340 -0.073 0.000 0.297 327 R C -1.103 175.478 176.300 0.468 0.000 0.969 327 R CA -0.692 55.677 56.100 0.447 0.000 0.879 327 R CB 1.447 31.875 30.300 0.213 0.000 1.178 327 R HN 0.443 nan 8.270 nan 0.000 0.445 328 D N 3.308 123.924 120.400 0.360 0.000 2.339 328 D HA 0.093 4.689 4.640 -0.073 0.000 0.256 328 D C 0.830 177.074 176.300 -0.094 0.000 1.214 328 D CA 0.259 54.187 54.000 -0.120 0.000 0.877 328 D CB 1.710 42.435 40.800 -0.125 0.000 1.111 328 D HN 0.644 nan 8.370 nan 0.000 0.478 329 A N 5.975 128.689 122.820 -0.177 0.000 1.883 329 A HA -0.202 4.074 4.320 -0.073 0.000 0.217 329 A C 2.106 179.633 177.584 -0.095 0.000 1.186 329 A CA 1.175 53.155 52.037 -0.094 0.000 0.624 329 A CB -0.252 18.688 19.000 -0.101 0.000 0.822 329 A HN 0.647 nan 8.150 nan 0.000 0.444 330 K N -0.130 120.178 120.400 -0.153 0.000 1.969 330 K HA -0.162 4.114 4.320 -0.073 0.000 0.216 330 K C 2.427 178.992 176.600 -0.057 0.000 1.048 330 K CA 2.087 58.309 56.287 -0.108 0.000 0.948 330 K CB -0.361 32.057 32.500 -0.138 0.000 0.726 330 K HN 0.656 nan 8.250 nan 0.000 0.442 331 S N -1.327 114.347 115.700 -0.043 0.000 2.501 331 S HA 0.074 4.500 4.470 -0.073 0.000 0.220 331 S C 1.384 176.000 174.600 0.026 0.000 0.997 331 S CA 0.829 59.033 58.200 0.007 0.000 0.919 331 S CB 0.474 63.701 63.200 0.044 0.000 0.778 331 S HN 0.554 nan 8.310 nan 0.000 0.523 332 G N 0.931 109.749 108.800 0.030 0.000 2.162 332 G HA2 -0.268 3.648 3.960 -0.073 0.000 0.260 332 G HA3 -0.268 3.648 3.960 -0.073 0.000 0.260 332 G C -0.215 174.730 174.900 0.075 0.000 0.976 332 G CA 0.318 45.444 45.100 0.043 0.000 0.655 332 G HN 0.621 nan 8.290 nan 0.000 0.533 333 E N 0.171 120.449 120.200 0.130 0.000 2.354 333 E HA 0.481 4.787 4.350 -0.073 0.000 0.269 333 E C 0.647 177.380 176.600 0.222 0.000 1.036 333 E CA -0.408 56.070 56.400 0.131 0.000 0.876 333 E CB 0.645 30.429 29.700 0.140 0.000 1.009 333 E HN 0.366 nan 8.360 nan 0.000 0.416 334 R N 1.880 122.415 120.500 0.058 0.000 2.428 334 R HA 0.405 4.701 4.340 -0.073 0.000 0.294 334 R C -1.068 175.290 176.300 0.097 0.000 1.000 334 R CA -0.316 55.854 56.100 0.116 0.000 0.960 334 R CB 0.747 30.958 30.300 -0.150 0.000 1.076 334 R HN 0.445 nan 8.270 nan 0.000 0.475 335 Y N 1.058 121.590 120.300 0.386 0.000 2.545 335 Y HA 0.418 4.931 4.550 -0.062 0.000 0.348 335 Y C -0.747 175.458 175.900 0.509 0.000 1.002 335 Y CA -1.075 57.267 58.100 0.405 0.000 1.039 335 Y CB 1.650 40.270 38.460 0.267 0.000 1.271 335 Y HN 0.316 nan 8.280 nan 0.000 0.467 336 L N 2.974 124.524 121.223 0.544 0.000 2.325 336 L HA 0.655 4.951 4.340 -0.073 0.000 0.278 336 L C -0.664 176.431 176.870 0.374 0.000 1.023 336 L CA -0.634 54.463 54.840 0.428 0.000 0.811 336 L CB 1.363 43.512 42.059 0.150 0.000 1.249 336 L HN 0.733 nan 8.230 nan 0.000 0.431 337 R N 3.411 124.145 120.500 0.390 0.000 2.599 337 R HA 0.821 5.117 4.340 -0.073 0.000 0.295 337 R C -2.023 174.458 176.300 0.301 0.000 0.963 337 R CA -0.605 55.700 56.100 0.342 0.000 0.883 337 R CB 1.716 32.254 30.300 0.395 0.000 1.171 337 R HN 0.508 nan 8.270 nan 0.000 0.450 338 V N 5.574 125.665 119.914 0.294 0.000 2.577 338 V HA 0.533 4.609 4.120 -0.073 0.000 0.303 338 V C -1.416 174.827 176.094 0.247 0.000 1.042 338 V CA -0.667 61.709 62.300 0.128 0.000 0.872 338 V CB 1.409 33.188 31.823 -0.073 0.000 0.998 338 V HN 0.834 nan 8.190 nan 0.000 0.423 339 Y N 2.974 123.394 120.300 0.199 0.000 2.609 339 Y HA 0.813 5.319 4.550 -0.074 0.000 0.336 339 Y C -1.629 174.492 175.900 0.368 0.000 1.129 339 Y CA -1.699 56.589 58.100 0.313 0.000 1.040 339 Y CB 1.568 40.139 38.460 0.185 0.000 1.310 339 Y HN 0.490 nan 8.280 nan 0.000 0.460 340 F N 3.775 123.926 119.950 0.335 0.000 2.469 340 F HA 0.595 5.078 4.527 -0.074 0.000 0.332 340 F C -0.755 174.987 175.800 -0.097 0.000 1.103 340 F CA -0.566 57.327 58.000 -0.179 0.000 0.979 340 F CB 1.694 40.040 39.000 -1.090 0.000 1.137 340 F HN 0.730 nan 8.300 nan 0.000 0.463 341 Q N 5.095 124.391 119.800 -0.840 0.000 2.397 341 Q HA 0.925 5.221 4.340 -0.073 0.000 0.275 341 Q C -2.033 173.460 176.000 -0.846 0.000 1.090 341 Q CA -1.249 54.205 55.803 -0.582 0.000 0.809 341 Q CB 2.495 31.137 28.738 -0.161 0.000 1.362 341 Q HN 0.899 nan 8.270 nan 0.000 0.431 342 A N 1.386 123.918 122.820 -0.481 0.000 2.581 342 A HA 0.488 4.764 4.320 -0.073 0.000 0.290 342 A C -1.566 175.968 177.584 -0.084 0.000 1.119 342 A CA -0.813 51.039 52.037 -0.308 0.000 0.670 342 A CB 1.899 20.694 19.000 -0.343 0.000 1.280 342 A HN 0.727 nan 8.150 nan 0.000 0.425 343 Q N -0.102 119.703 119.800 0.009 0.000 2.226 343 Q HA 0.525 4.821 4.340 -0.073 0.000 0.256 343 Q C 0.502 176.651 176.000 0.247 0.000 0.962 343 Q CA -0.331 55.528 55.803 0.093 0.000 0.887 343 Q CB 1.847 30.625 28.738 0.066 0.000 1.282 343 Q HN 1.001 nan 8.270 nan 0.000 0.449 344 G N 0.561 109.484 108.800 0.206 0.000 2.616 344 G HA2 0.173 4.089 3.960 -0.073 0.000 0.268 344 G HA3 0.173 4.089 3.960 -0.073 0.000 0.268 344 G C 0.761 175.771 174.900 0.185 0.000 1.213 344 G CA -0.388 44.815 45.100 0.170 0.000 0.926 344 G HN 0.657 nan 8.290 nan 0.000 0.523 345 L N -0.313 120.950 121.223 0.067 0.000 2.012 345 L HA -0.109 4.187 4.340 -0.073 0.000 0.210 345 L C 2.402 179.530 176.870 0.429 0.000 1.073 345 L CA 1.383 56.382 54.840 0.265 0.000 0.748 345 L CB -0.218 41.873 42.059 0.053 0.000 0.891 345 L HN 0.408 nan 8.230 nan 0.000 0.431 346 D N -0.442 120.157 120.400 0.331 0.000 2.149 346 D HA -0.146 4.450 4.640 -0.073 0.000 0.201 346 D C 1.830 178.211 176.300 0.136 0.000 0.972 346 D CA 0.921 55.086 54.000 0.276 0.000 0.835 346 D CB -0.191 40.741 40.800 0.220 0.000 0.966 346 D HN 0.275 nan 8.370 nan 0.000 0.476 347 D N 0.447 120.920 120.400 0.121 0.000 2.097 347 D HA -0.101 4.495 4.640 -0.073 0.000 0.195 347 D C 2.389 178.732 176.300 0.070 0.000 0.989 347 D CA 0.475 54.515 54.000 0.066 0.000 0.827 347 D CB -0.271 40.575 40.800 0.076 0.000 0.966 347 D HN 0.230 nan 8.370 nan 0.000 0.456 348 L N 0.344 121.646 121.223 0.132 0.000 1.994 348 L HA -0.133 4.163 4.340 -0.073 0.000 0.208 348 L C 2.685 179.678 176.870 0.203 0.000 1.071 348 L CA 1.051 55.985 54.840 0.157 0.000 0.745 348 L CB -0.354 41.836 42.059 0.218 0.000 0.892 348 L HN -0.044 nan 8.230 nan 0.000 0.431 349 R N 0.519 121.089 120.500 0.116 0.000 2.117 349 R HA -0.168 4.128 4.340 -0.073 0.000 0.243 349 R C 1.963 178.277 176.300 0.024 0.000 1.143 349 R CA 1.535 57.599 56.100 -0.060 0.000 0.968 349 R CB -0.016 30.027 30.300 -0.428 0.000 0.863 349 R HN 0.276 nan 8.270 nan 0.000 0.444 350 R N 0.183 120.694 120.500 0.017 0.000 2.359 350 R HA 0.203 4.499 4.340 -0.073 0.000 0.231 350 R C 0.225 176.511 176.300 -0.023 0.000 0.913 350 R CA -0.020 56.072 56.100 -0.013 0.000 1.075 350 R CB 0.220 30.491 30.300 -0.048 0.000 1.087 350 R HN 0.165 nan 8.270 nan 0.000 0.515 351 L N 1.841 123.050 121.223 -0.024 0.000 3.739 351 L HA -0.260 4.036 4.340 -0.073 0.000 0.442 351 L C -0.083 176.729 176.870 -0.096 0.000 1.241 351 L CA 0.175 54.945 54.840 -0.116 0.000 0.819 351 L CB -1.338 40.613 42.059 -0.180 0.000 1.679 351 L HN 0.311 nan 8.230 nan 0.000 0.889 352 Q N 0.945 120.692 119.800 -0.089 0.000 2.289 352 Q HA 0.170 4.466 4.340 -0.073 0.000 0.273 352 Q C 0.505 176.446 176.000 -0.097 0.000 1.029 352 Q CA 0.674 56.396 55.803 -0.136 0.000 0.896 352 Q CB 1.172 29.796 28.738 -0.190 0.000 1.182 352 Q HN 0.187 nan 8.270 nan 0.000 0.385 353 T N 6.992 121.488 114.554 -0.096 0.000 2.779 353 T HA 0.357 4.663 4.350 -0.073 0.000 0.296 353 T C -2.320 172.357 174.700 -0.037 0.000 0.938 353 T CA -1.760 60.304 62.100 -0.060 0.000 1.119 353 T CB 0.337 69.175 68.868 -0.050 0.000 0.891 353 T HN 0.540 nan 8.240 nan 0.000 0.526 354 P HA 0.324 nan 4.420 nan 0.000 0.271 354 P C -1.092 176.207 177.300 -0.003 0.000 1.220 354 P CA -0.017 63.080 63.100 -0.005 0.000 0.768 354 P CB 0.737 32.415 31.700 -0.037 0.000 0.848 355 D N 1.314 121.733 120.400 0.032 0.000 2.851 355 D HA 0.324 4.920 4.640 -0.073 0.000 0.339 355 D C 1.060 177.363 176.300 0.004 0.000 1.347 355 D CA -0.605 53.404 54.000 0.015 0.000 0.888 355 D CB -0.223 40.599 40.800 0.037 0.000 1.431 355 D HN 0.151 nan 8.370 nan 0.000 0.509 356 A N -0.193 122.619 122.820 -0.013 0.000 1.894 356 A HA -0.343 3.933 4.320 -0.073 0.000 0.220 356 A C 1.887 179.431 177.584 -0.066 0.000 1.237 356 A CA 2.850 54.866 52.037 -0.036 0.000 0.660 356 A CB -1.189 17.794 19.000 -0.030 0.000 0.835 356 A HN 0.632 nan 8.150 nan 0.000 0.461 357 Q N -1.929 117.818 119.800 -0.088 0.000 2.451 357 Q HA -0.036 4.260 4.340 -0.073 0.000 0.206 357 Q C -0.382 175.326 176.000 -0.486 0.000 0.947 357 Q CA 0.530 56.178 55.803 -0.258 0.000 0.937 357 Q CB 0.152 28.721 28.738 -0.281 0.000 1.025 357 Q HN 0.905 nan 8.270 nan 0.000 0.511 358 H N -0.398 118.658 119.070 -0.023 0.000 2.712 358 H HA 0.252 4.764 4.556 -0.073 0.000 0.226 358 H C -2.470 172.839 175.328 -0.031 0.000 1.422 358 H CA -1.670 54.366 56.048 -0.020 0.000 1.270 358 H CB 0.719 30.473 29.762 -0.014 0.000 1.891 358 H HN 0.192 nan 8.280 nan 0.000 0.518 359 P HA 0.014 nan 4.420 nan 0.000 0.274 359 P C 0.348 177.637 177.300 -0.017 0.000 1.237 359 P CA -0.361 62.728 63.100 -0.019 0.000 0.793 359 P CB 1.045 32.712 31.700 -0.054 0.000 0.977 360 M N 1.511 121.078 119.600 -0.055 0.000 2.251 360 M HA 0.030 4.466 4.480 -0.073 0.000 0.343 360 M C 0.532 176.795 176.300 -0.063 0.000 1.245 360 M CA 0.559 55.820 55.300 -0.065 0.000 1.061 360 M CB -0.511 32.021 32.600 -0.114 0.000 1.723 360 M HN 0.255 nan 8.290 nan 0.000 0.449 361 L N 3.413 124.617 121.223 -0.033 0.000 2.426 361 L HA 0.369 4.665 4.340 -0.073 0.000 0.271 361 L C 0.354 177.181 176.870 -0.071 0.000 1.169 361 L CA 0.089 54.921 54.840 -0.014 0.000 0.836 361 L CB 0.303 42.401 42.059 0.065 0.000 1.112 361 L HN 0.653 nan 8.230 nan 0.000 0.465 362 R N 2.104 122.579 120.500 -0.042 0.000 2.566 362 R HA 0.350 4.646 4.340 -0.073 0.000 0.271 362 R C -1.534 174.800 176.300 0.056 0.000 1.071 362 R CA -0.608 55.466 56.100 -0.042 0.000 0.915 362 R CB 2.021 32.239 30.300 -0.137 0.000 1.228 362 R HN 0.679 nan 8.270 nan 0.000 0.449 363 Q N 2.312 122.213 119.800 0.169 0.000 2.347 363 Q HA 0.322 4.618 4.340 -0.073 0.000 0.271 363 Q C -1.342 174.938 176.000 0.465 0.000 1.064 363 Q CA -0.685 55.293 55.803 0.291 0.000 0.800 363 Q CB 2.134 31.092 28.738 0.366 0.000 1.304 363 Q HN 0.566 nan 8.270 nan 0.000 0.438 364 E N 2.272 122.688 120.200 0.360 0.000 2.191 364 E HA 0.158 4.464 4.350 -0.073 0.000 0.278 364 E C -1.380 175.395 176.600 0.292 0.000 0.972 364 E CA -0.596 56.006 56.400 0.337 0.000 0.804 364 E CB 1.224 31.018 29.700 0.157 0.000 1.110 364 E HN 0.508 nan 8.360 nan 0.000 0.394 365 W N 4.743 125.911 121.300 -0.220 0.000 2.170 365 W HA 0.121 4.736 4.660 -0.074 0.000 0.336 365 W C -0.069 176.354 176.519 -0.160 0.000 1.283 365 W CA -0.097 56.957 57.345 -0.485 0.000 1.224 365 W CB 0.553 29.363 29.460 -1.084 0.000 1.132 365 W HN 0.499 nan 8.180 nan 0.000 0.571 366 R N 4.373 124.258 120.500 -1.025 0.000 2.739 366 R HA 0.621 4.918 4.340 -0.073 0.000 0.271 366 R C -1.512 174.052 176.300 -1.227 0.000 1.010 366 R CA -0.948 54.589 56.100 -0.937 0.000 0.897 366 R CB 1.805 31.866 30.300 -0.398 0.000 1.236 366 R HN 0.735 nan 8.270 nan 0.000 0.466 367 Q N 0.224 119.518 119.800 -0.843 0.000 2.648 367 Q HA 0.588 4.884 4.340 -0.073 0.000 0.300 367 Q C -2.910 172.932 176.000 -0.263 0.000 0.954 367 Q CA -2.234 53.269 55.803 -0.500 0.000 0.757 367 Q CB 1.932 30.407 28.738 -0.438 0.000 1.482 367 Q HN 0.400 nan 8.270 nan 0.000 0.437 368 P HA 0.172 nan 4.420 nan 0.000 0.266 368 P C 0.444 177.712 177.300 -0.053 0.000 1.195 368 P CA 1.557 64.609 63.100 -0.079 0.000 0.768 368 P CB 0.533 32.207 31.700 -0.043 0.000 0.838 369 G N 0.566 109.350 108.800 -0.027 0.000 2.234 369 G HA2 -0.247 3.669 3.960 -0.073 0.000 0.235 369 G HA3 -0.247 3.669 3.960 -0.073 0.000 0.235 369 G C 0.347 175.269 174.900 0.037 0.000 0.997 369 G CA -0.075 45.033 45.100 0.014 0.000 0.623 369 G HN 0.683 nan 8.290 nan 0.000 0.514 370 c N 2.225 120.815 118.600 -0.018 0.000 2.649 370 c HA 0.741 5.267 4.570 -0.073 0.000 0.377 370 c C 0.873 174.950 174.090 -0.022 0.000 1.321 370 c CA -0.057 56.266 56.329 -0.010 0.000 2.368 370 c CB 0.647 43.091 42.510 -0.110 0.000 2.597 370 c HN 0.817 nan 8.230 nan 0.000 0.678 371 R N 1.080 121.551 120.500 -0.048 0.000 2.673 371 R HA 0.544 4.840 4.340 -0.073 0.000 0.281 371 R C -1.335 174.866 176.300 -0.164 0.000 0.991 371 R CA -0.566 55.486 56.100 -0.081 0.000 0.896 371 R CB 1.106 31.380 30.300 -0.044 0.000 1.201 371 R HN 0.601 nan 8.270 nan 0.000 0.457 372 Q N 1.915 121.635 119.800 -0.134 0.000 2.297 372 Q HA 0.197 4.493 4.340 -0.073 0.000 0.267 372 Q C -0.704 175.178 176.000 -0.197 0.000 1.006 372 Q CA 0.514 56.220 55.803 -0.162 0.000 0.896 372 Q CB 1.024 29.699 28.738 -0.106 0.000 1.186 372 Q HN 0.817 nan 8.270 nan 0.000 0.392 373 T N -0.457 113.913 114.554 -0.308 0.000 2.888 373 T HA 0.357 4.663 4.350 -0.073 0.000 0.288 373 T C 0.295 174.839 174.700 -0.261 0.000 1.063 373 T CA -0.742 61.165 62.100 -0.321 0.000 1.010 373 T CB 0.897 69.301 68.868 -0.773 0.000 1.214 373 T HN 0.441 nan 8.240 nan 0.000 0.533 374 D N 0.149 120.454 120.400 -0.158 0.000 2.265 374 D HA -0.082 4.514 4.640 -0.073 0.000 0.208 374 D C 1.904 178.090 176.300 -0.190 0.000 0.977 374 D CA 1.490 55.426 54.000 -0.107 0.000 0.871 374 D CB -0.069 40.738 40.800 0.011 0.000 0.925 374 D HN 0.547 nan 8.370 nan 0.000 0.485 375 V N -3.859 115.812 119.914 -0.405 0.000 3.542 375 V HA 0.584 4.660 4.120 -0.073 0.000 0.296 375 V C 0.866 176.666 176.094 -0.490 0.000 1.364 375 V CA 0.517 62.529 62.300 -0.481 0.000 1.118 375 V CB 0.149 31.408 31.823 -0.940 0.000 0.972 375 V HN 0.186 nan 8.190 nan 0.000 0.430 376 G N 0.079 108.617 108.800 -0.436 0.000 2.331 376 G HA2 0.015 3.931 3.960 -0.073 0.000 0.479 376 G HA3 0.015 3.931 3.960 -0.073 0.000 0.479 376 G C -0.479 174.199 174.900 -0.370 0.000 1.262 376 G CA -0.339 44.561 45.100 -0.333 0.000 1.029 376 G HN 0.399 nan 8.290 nan 0.000 0.487 377 T N 1.281 115.692 114.554 -0.237 0.000 2.723 377 T HA 0.546 4.852 4.350 -0.073 0.000 0.297 377 T C -0.148 174.441 174.700 -0.185 0.000 0.925 377 T CA 0.063 62.044 62.100 -0.199 0.000 1.030 377 T CB 0.737 69.538 68.868 -0.111 0.000 0.905 377 T HN 0.502 nan 8.240 nan 0.000 0.502 378 L N 3.637 124.692 121.223 -0.281 0.000 2.307 378 L HA 0.485 4.781 4.340 -0.073 0.000 0.284 378 L C -0.252 176.667 176.870 0.082 0.000 1.023 378 L CA -0.353 54.364 54.840 -0.205 0.000 0.810 378 L CB 1.258 42.906 42.059 -0.686 0.000 1.231 378 L HN 0.723 nan 8.230 nan 0.000 0.423 379 c N 4.125 122.893 118.600 0.281 0.000 2.417 379 c HA 0.518 5.044 4.570 -0.073 0.000 0.324 379 c C -2.255 172.029 174.090 0.324 0.000 1.240 379 c CA -1.619 54.883 56.329 0.288 0.000 1.632 379 c CB 1.532 44.176 42.510 0.223 0.000 2.241 379 c HN 0.577 nan 8.230 nan 0.000 0.499 380 P HA -0.065 nan 4.420 nan 0.000 0.259 380 P C 0.495 177.813 177.300 0.030 0.000 1.163 380 P CA 0.503 63.535 63.100 -0.114 0.000 0.760 380 P CB 0.166 31.834 31.700 -0.052 0.000 0.762 381 F N 3.828 123.709 119.950 -0.116 0.000 2.046 381 F HA -0.268 4.214 4.527 -0.076 0.000 0.297 381 F C 2.317 178.129 175.800 0.021 0.000 1.123 381 F CA 1.952 59.955 58.000 0.005 0.000 1.199 381 F CB -0.380 38.622 39.000 0.002 0.000 0.972 381 F HN 0.247 nan 8.300 nan 0.000 0.474 382 Q N 0.732 120.622 119.800 0.150 0.000 2.119 382 Q HA -0.055 4.241 4.340 -0.073 0.000 0.201 382 Q C 2.127 178.118 176.000 -0.015 0.000 0.972 382 Q CA 1.800 57.639 55.803 0.060 0.000 0.847 382 Q CB -0.751 28.059 28.738 0.120 0.000 0.903 382 Q HN 0.454 nan 8.270 nan 0.000 0.433 383 A N 0.265 123.093 122.820 0.013 0.000 1.908 383 A HA -0.093 4.183 4.320 -0.073 0.000 0.218 383 A C 2.263 179.873 177.584 0.043 0.000 1.181 383 A CA 2.028 54.083 52.037 0.030 0.000 0.627 383 A CB -1.111 17.915 19.000 0.044 0.000 0.818 383 A HN 0.504 nan 8.150 nan 0.000 0.445 384 A N -0.249 122.589 122.820 0.029 0.000 1.872 384 A HA 0.009 4.285 4.320 -0.073 0.000 0.214 384 A C 2.017 179.523 177.584 -0.129 0.000 1.187 384 A CA 1.451 53.540 52.037 0.087 0.000 0.614 384 A CB -0.449 18.628 19.000 0.128 0.000 0.826 384 A HN 0.379 nan 8.150 nan 0.000 0.442 385 I N 0.406 120.803 120.570 -0.289 0.000 2.208 385 I HA -0.193 3.933 4.170 -0.073 0.000 0.245 385 I C 2.510 178.540 176.117 -0.146 0.000 1.097 385 I CA 2.045 63.167 61.300 -0.297 0.000 1.363 385 I CB -1.800 35.976 38.000 -0.373 0.000 1.051 385 I HN 0.256 nan 8.210 nan 0.000 0.413 386 T N 1.201 115.706 114.554 -0.082 0.000 2.746 386 T HA -0.119 4.188 4.350 -0.073 0.000 0.267 386 T C 2.028 176.719 174.700 -0.015 0.000 1.039 386 T CA 1.552 63.633 62.100 -0.033 0.000 1.142 386 T CB -0.263 68.602 68.868 -0.004 0.000 0.866 386 T HN 0.456 nan 8.240 nan 0.000 0.444 387 A N 1.250 124.078 122.820 0.013 0.000 1.877 387 A HA 0.043 4.319 4.320 -0.073 0.000 0.216 387 A C 2.224 179.806 177.584 -0.004 0.000 1.186 387 A CA 1.191 53.267 52.037 0.065 0.000 0.620 387 A CB -0.805 18.320 19.000 0.209 0.000 0.822 387 A HN 0.488 nan 8.150 nan 0.000 0.443 388 L N -0.841 120.306 121.223 -0.126 0.000 2.376 388 L HA -0.008 4.288 4.340 -0.073 0.000 0.219 388 L C 2.416 179.210 176.870 -0.128 0.000 1.133 388 L CA 0.706 55.413 54.840 -0.221 0.000 0.816 388 L CB -0.305 41.501 42.059 -0.422 0.000 0.933 388 L HN 0.490 nan 8.230 nan 0.000 0.449 389 G N -1.893 106.853 108.800 -0.090 0.000 2.887 389 G HA2 -0.082 3.834 3.960 -0.073 0.000 0.211 389 G HA3 -0.082 3.834 3.960 -0.073 0.000 0.211 389 G C 1.328 176.209 174.900 -0.031 0.000 1.152 389 G CA -0.256 44.808 45.100 -0.060 0.000 0.769 389 G HN 0.196 nan 8.290 nan 0.000 0.541 390 Q N 0.069 119.858 119.800 -0.018 0.000 2.142 390 Q HA -0.190 4.106 4.340 -0.073 0.000 0.213 390 Q C 2.201 178.203 176.000 0.003 0.000 1.004 390 Q CA 1.456 57.260 55.803 0.002 0.000 0.883 390 Q CB -0.050 28.699 28.738 0.019 0.000 0.939 390 Q HN 0.372 nan 8.270 nan 0.000 0.413 391 R N -0.422 120.078 120.500 0.000 0.000 2.334 391 R HA 0.251 4.548 4.340 -0.073 0.000 0.216 391 R C 0.190 176.487 176.300 -0.005 0.000 0.905 391 R CA -0.333 55.770 56.100 0.005 0.000 1.064 391 R CB 0.401 30.708 30.300 0.011 0.000 1.046 391 R HN 0.190 nan 8.270 nan 0.000 0.508 392 I N 1.555 122.117 120.570 -0.014 0.000 2.683 392 I HA -0.097 4.029 4.170 -0.073 0.000 0.286 392 I C 0.117 176.226 176.117 -0.014 0.000 1.175 392 I CA 0.312 61.600 61.300 -0.020 0.000 1.429 392 I CB 0.405 38.389 38.000 -0.027 0.000 1.371 392 I HN -0.045 nan 8.210 nan 0.000 0.569 393 D N 6.277 126.665 120.400 -0.019 0.000 2.380 393 D HA 0.145 4.741 4.640 -0.073 0.000 0.230 393 D C 1.239 177.530 176.300 -0.016 0.000 1.154 393 D CA -0.377 53.616 54.000 -0.012 0.000 0.859 393 D CB 0.777 41.568 40.800 -0.015 0.000 1.045 393 D HN 0.284 nan 8.370 nan 0.000 0.495 394 R N 3.856 124.350 120.500 -0.010 0.000 2.096 394 R HA -0.116 4.180 4.340 -0.073 0.000 0.240 394 R C -0.833 175.458 176.300 -0.015 0.000 1.139 394 R CA 1.385 57.477 56.100 -0.014 0.000 0.952 394 R CB -1.600 28.695 30.300 -0.008 0.000 0.854 394 R HN 0.499 nan 8.270 nan 0.000 0.436 395 P HA -0.029 nan 4.420 nan 0.000 0.219 395 P C 0.643 177.935 177.300 -0.014 0.000 1.146 395 P CA 1.288 64.385 63.100 -0.006 0.000 0.808 395 P CB 0.057 31.760 31.700 0.005 0.000 0.779 396 S N -1.221 114.466 115.700 -0.021 0.000 2.634 396 S HA 0.322 4.748 4.470 -0.073 0.000 0.221 396 S C 1.050 175.621 174.600 -0.047 0.000 0.952 396 S CA 0.116 58.295 58.200 -0.034 0.000 0.930 396 S CB -0.128 63.043 63.200 -0.049 0.000 0.780 396 S HN 0.101 nan 8.310 nan 0.000 0.498 397 A N 3.064 125.857 122.820 -0.045 0.000 3.218 397 A HA 0.461 4.737 4.320 -0.073 0.000 0.321 397 A C -2.729 174.819 177.584 -0.061 0.000 1.012 397 A CA -1.473 50.530 52.037 -0.057 0.000 0.948 397 A CB 0.029 19.000 19.000 -0.047 0.000 1.050 397 A HN 0.143 nan 8.150 nan 0.000 0.492 398 P HA 0.245 nan 4.420 nan 0.000 0.268 398 P C 0.312 177.560 177.300 -0.087 0.000 1.205 398 P CA 0.299 63.356 63.100 -0.072 0.000 0.771 398 P CB 0.867 32.518 31.700 -0.081 0.000 0.858 399 A N 3.148 125.925 122.820 -0.072 0.000 2.540 399 A HA 0.337 4.613 4.320 -0.073 0.000 0.239 399 A C 0.460 177.985 177.584 -0.098 0.000 1.061 399 A CA -0.061 51.931 52.037 -0.076 0.000 0.758 399 A CB -0.358 18.606 19.000 -0.060 0.000 0.991 399 A HN 0.525 nan 8.150 nan 0.000 0.502 400 V N 0.555 120.401 119.914 -0.112 0.000 2.680 400 V HA 0.820 4.896 4.120 -0.073 0.000 0.309 400 V C 0.265 176.291 176.094 -0.114 0.000 1.052 400 V CA -0.445 61.776 62.300 -0.131 0.000 0.908 400 V CB 1.293 33.007 31.823 -0.182 0.000 1.001 400 V HN 1.741 nan 8.190 nan 0.000 0.431 401 A N 5.431 128.186 122.820 -0.109 0.000 2.484 401 A HA 0.413 4.689 4.320 -0.073 0.000 0.268 401 A C 0.861 178.370 177.584 -0.126 0.000 1.114 401 A CA 0.106 52.076 52.037 -0.112 0.000 0.780 401 A CB 0.175 19.114 19.000 -0.102 0.000 1.061 401 A HN 1.272 nan 8.150 nan 0.000 0.505 402 M N 3.917 123.430 119.600 -0.144 0.000 2.229 402 M HA -0.004 4.432 4.480 -0.073 0.000 0.264 402 M C 0.477 176.653 176.300 -0.207 0.000 1.063 402 M CA 1.376 56.592 55.300 -0.139 0.000 1.114 402 M CB -0.332 32.188 32.600 -0.133 0.000 1.387 402 M HN 0.344 nan 8.290 nan 0.000 0.420 403 V N 2.696 122.404 119.914 -0.343 0.000 2.405 403 V HA 0.158 4.234 4.120 -0.073 0.000 0.264 403 V C 0.349 176.348 176.094 -0.158 0.000 1.048 403 V CA -0.554 61.470 62.300 -0.460 0.000 0.966 403 V CB -0.372 31.144 31.823 -0.513 0.000 1.015 403 V HN 0.229 nan 8.190 nan 0.000 0.477 404 L N 7.863 129.088 121.223 0.003 0.000 2.464 404 L HA 0.343 4.639 4.340 -0.073 0.000 0.264 404 L C -1.243 175.619 176.870 -0.013 0.000 1.199 404 L CA -1.334 53.517 54.840 0.019 0.000 0.818 404 L CB 0.243 42.354 42.059 0.085 0.000 1.102 404 L HN 0.478 nan 8.230 nan 0.000 0.473 405 P HA 0.143 nan 4.420 nan 0.000 0.282 405 P C -0.711 176.583 177.300 -0.011 0.000 1.286 405 P CA -0.322 62.766 63.100 -0.020 0.000 0.777 405 P CB 0.607 32.296 31.700 -0.019 0.000 1.184 406 K N 0.000 120.394 120.400 -0.011 0.000 2.780 406 K HA 0.000 4.276 4.320 -0.073 0.000 0.191 406 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 406 K CB 0.000 32.469 32.500 -0.052 0.000 1.064 406 K HN 0.000 nan 8.250 nan 0.000 0.543