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 3e3k_1_A DATA FIRST_RESID 2 DATA SEQUENCE APDEITTAWP VNVGPLNPHL YTPNQMFAQS MVYEPLVKYQ ADGSVIPWLA DATA SEQUENCE KSWTHSEDGK TWTFTLRDDV KFSNGEPFDA EAAAENFRAV LDNRQRHAWL DATA SEQUENCE ELANQIVDVK ALSKTELQIT LKSAYYPFLQ ELALPRPFRF IAPSQFKNHE DATA SEQUENCE TMNGIKAPIG TGPWILQESK LNQYDVFVRN ENYWGEKPAI KKITFNVIPD DATA SEQUENCE PTTRAVAFET GDIDLLYGNE GLLPLDTFAR FSQNPAYHTQ LSQPIETVML DATA SEQUENCE ALNTAKAPTN ELAVREALNY AVNKKSLIDN ALYGTQQVAD TLFAPSVPYA DATA SEQUENCE NLGLKPSQYD PQKAKALLEK AGWTLPAGKD IREKNGQPLR IELSFIGTDA DATA SEQUENCE LSKSMAEIIQ ADMRQIGADV SLIGEEESSI YARQRDGRFG MIFHRTWGAP DATA SEQUENCE YDPHAFLSSM RVPSHADFQA QQGLADKPLI DKEIGEVLAT HDETQRQALY DATA SEQUENCE RDILTRLHDE AVYLPISYIS MMVVSKPELG NIPYAPIATE IPFEQIKPV 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.582 177.584 -0.004 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 2 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 3 P HA -0.040 nan 4.420 nan 0.000 0.215 3 P C 1.066 178.376 177.300 0.016 0.000 1.157 3 P CA 0.933 64.037 63.100 0.006 0.000 0.856 3 P CB 0.332 32.036 31.700 0.007 0.000 0.786 4 D N -0.075 120.337 120.400 0.021 0.000 2.271 4 D HA -0.112 4.502 4.640 -0.043 0.000 0.207 4 D C 0.210 176.537 176.300 0.046 0.000 0.983 4 D CA 0.975 54.997 54.000 0.036 0.000 0.878 4 D CB 0.154 40.972 40.800 0.031 0.000 0.920 4 D HN 0.370 nan 8.370 nan 0.000 0.479 5 E N -0.356 119.858 120.200 0.024 0.000 2.207 5 E HA 0.578 4.902 4.350 -0.043 0.000 0.270 5 E C -0.010 176.580 176.600 -0.017 0.000 0.927 5 E CA -0.674 55.731 56.400 0.009 0.000 0.799 5 E CB 2.487 32.187 29.700 0.001 0.000 1.172 5 E HN 0.136 nan 8.360 nan 0.000 0.404 6 I N -2.179 118.359 120.570 -0.053 0.000 2.913 6 I HA 0.577 4.722 4.170 -0.043 0.000 0.302 6 I C -1.121 174.915 176.117 -0.134 0.000 1.246 6 I CA -0.680 60.574 61.300 -0.076 0.000 1.010 6 I CB 2.637 40.599 38.000 -0.062 0.000 1.259 6 I HN 0.281 nan 8.210 nan 0.000 0.434 7 T N 2.733 117.219 114.554 -0.112 0.000 2.841 7 T HA 0.613 4.938 4.350 -0.043 0.000 0.283 7 T C -0.323 174.297 174.700 -0.134 0.000 1.000 7 T CA -0.402 61.615 62.100 -0.139 0.000 0.977 7 T CB 1.956 70.778 68.868 -0.076 0.000 0.979 7 T HN 0.864 nan 8.240 nan 0.000 0.446 8 T N 0.537 114.952 114.554 -0.232 0.000 2.604 8 T HA 0.872 5.197 4.350 -0.043 0.000 0.267 8 T C -1.575 173.103 174.700 -0.036 0.000 0.923 8 T CA -0.299 61.707 62.100 -0.156 0.000 1.077 8 T CB 1.233 69.919 68.868 -0.303 0.000 1.392 8 T HN 0.874 nan 8.240 nan 0.000 0.531 9 A N 0.113 122.995 122.820 0.104 0.000 2.594 9 A HA 0.755 5.049 4.320 -0.043 0.000 0.291 9 A C -2.057 175.813 177.584 0.477 0.000 1.105 9 A CA -0.692 51.493 52.037 0.247 0.000 0.694 9 A CB 1.474 20.569 19.000 0.159 0.000 1.291 9 A HN 0.720 nan 8.150 nan 0.000 0.410 10 W N 1.238 122.658 121.300 0.201 0.000 3.479 10 W HA 0.374 5.008 4.660 -0.043 0.000 0.304 10 W C -2.819 173.784 176.519 0.140 0.000 1.243 10 W CA -1.487 55.969 57.345 0.185 0.000 1.202 10 W CB 2.157 31.798 29.460 0.301 0.000 1.346 10 W HN 0.518 nan 8.180 nan 0.000 0.539 11 P HA -0.152 nan 4.420 nan 0.000 0.218 11 P C 0.365 177.673 177.300 0.014 0.000 1.148 11 P CA 1.752 64.741 63.100 -0.186 0.000 0.822 11 P CB 0.263 31.762 31.700 -0.335 0.000 0.784 12 V N -5.966 114.056 119.914 0.181 0.000 3.160 12 V HA 0.486 4.581 4.120 -0.043 0.000 0.310 12 V C -0.264 176.043 176.094 0.355 0.000 1.181 12 V CA -1.411 61.031 62.300 0.236 0.000 1.047 12 V CB 1.536 33.469 31.823 0.183 0.000 1.068 12 V HN -0.242 nan 8.190 nan 0.000 0.441 13 N N 0.212 119.028 118.700 0.192 0.000 2.340 13 N HA 0.174 4.889 4.740 -0.043 0.000 0.236 13 N C 1.140 176.708 175.510 0.095 0.000 1.296 13 N CA 0.285 53.413 53.050 0.130 0.000 0.896 13 N CB 1.702 40.210 38.487 0.035 0.000 1.127 13 N HN 0.645 nan 8.380 nan 0.000 0.442 14 V N 0.628 120.536 119.914 -0.009 0.000 2.626 14 V HA -0.047 4.047 4.120 -0.043 0.000 0.252 14 V C 1.374 177.389 176.094 -0.131 0.000 1.067 14 V CA 1.599 63.801 62.300 -0.163 0.000 1.081 14 V CB -1.362 30.368 31.823 -0.155 0.000 0.686 14 V HN 1.030 nan 8.190 nan 0.000 0.468 15 G N -0.426 108.332 108.800 -0.070 0.000 2.660 15 G HA2 -0.132 3.802 3.960 -0.043 0.000 0.247 15 G HA3 -0.132 3.802 3.960 -0.043 0.000 0.247 15 G C -2.110 172.745 174.900 -0.075 0.000 1.328 15 G CA -0.217 44.846 45.100 -0.061 0.000 0.884 15 G HN 0.192 nan 8.290 nan 0.000 0.531 16 P HA 0.253 nan 4.420 nan 0.000 0.233 16 P C 1.097 178.366 177.300 -0.052 0.000 1.167 16 P CA 0.805 63.867 63.100 -0.063 0.000 0.770 16 P CB -0.022 31.642 31.700 -0.060 0.000 0.837 17 L N -2.638 118.554 121.223 -0.052 0.000 3.717 17 L HA -0.204 4.111 4.340 -0.043 0.000 0.411 17 L C 0.212 177.142 176.870 0.100 0.000 1.233 17 L CA 0.342 55.184 54.840 0.004 0.000 0.917 17 L CB -2.857 39.193 42.059 -0.014 0.000 1.902 17 L HN 0.171 nan 8.230 nan 0.000 0.894 18 N N 1.589 120.268 118.700 -0.035 0.000 2.452 18 N HA 0.157 4.871 4.740 -0.043 0.000 0.266 18 N C -0.911 174.470 175.510 -0.214 0.000 1.175 18 N CA -1.321 51.638 53.050 -0.151 0.000 0.945 18 N CB 1.140 39.519 38.487 -0.181 0.000 1.063 18 N HN 0.091 nan 8.380 nan 0.000 0.472 19 P HA -0.072 nan 4.420 nan 0.000 0.223 19 P C -0.158 177.021 177.300 -0.202 0.000 1.151 19 P CA 1.309 64.075 63.100 -0.558 0.000 0.787 19 P CB 0.249 31.131 31.700 -1.364 0.000 0.788 20 H N -1.395 117.436 119.070 -0.398 0.000 2.528 20 H HA 0.440 4.971 4.556 -0.043 0.000 0.282 20 H C 0.670 175.803 175.328 -0.324 0.000 1.097 20 H CA -0.536 55.289 56.048 -0.371 0.000 1.121 20 H CB -0.070 29.485 29.762 -0.345 0.000 1.590 20 H HN 0.158 nan 8.280 nan 0.000 0.553 21 L N -0.429 120.616 121.223 -0.297 0.000 2.309 21 L HA 0.348 4.663 4.340 -0.043 0.000 0.261 21 L C -0.075 176.469 176.870 -0.542 0.000 1.021 21 L CA -1.094 53.524 54.840 -0.370 0.000 0.823 21 L CB 1.823 43.780 42.059 -0.169 0.000 1.366 21 L HN -0.043 nan 8.230 nan 0.000 0.423 22 Y N -0.690 119.579 120.300 -0.051 0.000 3.164 22 Y HA 0.175 4.700 4.550 -0.042 0.000 0.439 22 Y C 1.232 177.090 175.900 -0.069 0.000 1.182 22 Y CA -0.120 57.928 58.100 -0.088 0.000 1.570 22 Y CB -0.336 38.034 38.460 -0.150 0.000 1.411 22 Y HN 0.443 nan 8.280 nan 0.000 0.841 23 T N 3.944 118.581 114.554 0.137 0.000 2.867 23 T HA -0.012 4.313 4.350 -0.043 0.000 0.290 23 T C -1.677 173.055 174.700 0.054 0.000 1.025 23 T CA -0.826 61.329 62.100 0.092 0.000 1.146 23 T CB 0.060 69.008 68.868 0.133 0.000 1.024 23 T HN 0.372 nan 8.240 nan 0.000 0.519 24 P HA 0.164 nan 4.420 nan 0.000 0.263 24 P C -0.393 176.912 177.300 0.009 0.000 1.448 24 P CA -0.389 62.737 63.100 0.043 0.000 0.983 24 P CB 0.139 31.860 31.700 0.036 0.000 1.481 25 N N 2.502 121.186 118.700 -0.027 0.000 2.423 25 N HA 0.016 4.731 4.740 -0.043 0.000 0.275 25 N C 0.361 175.807 175.510 -0.107 0.000 1.283 25 N CA 0.461 53.462 53.050 -0.083 0.000 0.932 25 N CB 0.394 38.819 38.487 -0.102 0.000 1.185 25 N HN 0.227 nan 8.380 nan 0.000 0.483 26 Q N 2.537 122.232 119.800 -0.175 0.000 2.274 26 Q HA 0.035 4.349 4.340 -0.043 0.000 0.280 26 Q C 1.543 177.316 176.000 -0.378 0.000 1.047 26 Q CA 0.274 55.937 55.803 -0.235 0.000 0.907 26 Q CB 0.907 29.396 28.738 -0.416 0.000 1.171 26 Q HN 0.537 nan 8.270 nan 0.000 0.381 27 M N 2.156 121.646 119.600 -0.183 0.000 2.065 27 M HA -0.215 4.240 4.480 -0.043 0.000 0.259 27 M C 1.743 177.915 176.300 -0.214 0.000 1.069 27 M CA 1.863 57.078 55.300 -0.143 0.000 1.110 27 M CB -0.568 32.014 32.600 -0.031 0.000 1.328 27 M HN 0.699 nan 8.290 nan 0.000 0.405 28 F N 0.680 120.502 119.950 -0.213 0.000 2.091 28 F HA -0.161 4.340 4.527 -0.043 0.000 0.299 28 F C 2.351 177.979 175.800 -0.286 0.000 1.103 28 F CA 1.140 58.982 58.000 -0.263 0.000 1.228 28 F CB -1.475 37.282 39.000 -0.406 0.000 0.984 28 F HN 0.048 nan 8.300 nan 0.000 0.477 29 A N 0.533 122.441 122.820 -1.519 0.000 1.865 29 A HA -0.243 4.051 4.320 -0.043 0.000 0.217 29 A C 2.265 179.578 177.584 -0.453 0.000 1.191 29 A CA 1.955 53.328 52.037 -1.106 0.000 0.623 29 A CB -1.214 17.049 19.000 -1.229 0.000 0.826 29 A HN 0.640 nan 8.150 nan 0.000 0.444 30 Q N -0.346 119.254 119.800 -0.334 0.000 2.152 30 Q HA -0.150 4.164 4.340 -0.043 0.000 0.206 30 Q C 2.269 178.266 176.000 -0.005 0.000 0.985 30 Q CA 1.798 57.555 55.803 -0.077 0.000 0.863 30 Q CB -0.216 28.506 28.738 -0.027 0.000 0.904 30 Q HN 0.629 nan 8.270 nan 0.000 0.422 31 S N -0.094 115.577 115.700 -0.047 0.000 2.515 31 S HA 0.002 4.446 4.470 -0.043 0.000 0.231 31 S C 1.660 176.294 174.600 0.057 0.000 0.987 31 S CA 0.612 58.831 58.200 0.032 0.000 0.936 31 S CB 0.033 63.252 63.200 0.032 0.000 0.766 31 S HN 0.325 nan 8.310 nan 0.000 0.528 32 M N -0.074 119.520 119.600 -0.011 0.000 2.193 32 M HA 0.005 4.459 4.480 -0.043 0.000 0.265 32 M C 1.919 178.310 176.300 0.152 0.000 1.071 32 M CA 1.120 56.474 55.300 0.090 0.000 1.140 32 M CB -0.252 32.251 32.600 -0.163 0.000 1.369 32 M HN 0.154 nan 8.290 nan 0.000 0.423 33 V N -1.257 118.646 119.914 -0.019 0.000 2.426 33 V HA -0.090 4.004 4.120 -0.043 0.000 0.242 33 V C 0.521 176.486 176.094 -0.216 0.000 1.036 33 V CA 0.965 63.153 62.300 -0.187 0.000 1.044 33 V CB -0.288 31.209 31.823 -0.542 0.000 0.688 33 V HN 0.229 nan 8.190 nan 0.000 0.462 34 Y N 0.203 120.581 120.300 0.131 0.000 2.376 34 Y HA 0.565 5.089 4.550 -0.043 0.000 0.325 34 Y C 0.388 176.386 175.900 0.163 0.000 1.199 34 Y CA -0.771 57.410 58.100 0.134 0.000 1.206 34 Y CB 0.949 39.460 38.460 0.085 0.000 1.229 34 Y HN 0.162 nan 8.280 nan 0.000 0.480 35 E N 3.127 123.553 120.200 0.376 0.000 2.339 35 E HA 0.470 4.794 4.350 -0.043 0.000 0.262 35 E C -2.749 174.056 176.600 0.343 0.000 0.934 35 E CA -2.271 54.364 56.400 0.391 0.000 0.802 35 E CB 2.303 32.352 29.700 0.582 0.000 1.275 35 E HN 0.283 nan 8.360 nan 0.000 0.427 36 P HA 0.267 nan 4.420 nan 0.000 0.287 36 P C 0.282 177.783 177.300 0.335 0.000 1.292 36 P CA -0.544 62.708 63.100 0.253 0.000 0.879 36 P CB 1.588 33.347 31.700 0.098 0.000 1.214 37 L N -0.375 120.985 121.223 0.229 0.000 2.056 37 L HA 0.056 4.370 4.340 -0.043 0.000 0.207 37 L C 1.298 178.254 176.870 0.143 0.000 1.078 37 L CA 1.397 56.311 54.840 0.123 0.000 0.749 37 L CB -0.322 41.630 42.059 -0.178 0.000 0.901 37 L HN 0.140 nan 8.230 nan 0.000 0.433 38 V N -0.071 119.858 119.914 0.025 0.000 2.769 38 V HA 0.313 4.408 4.120 -0.043 0.000 0.312 38 V C -0.475 175.643 176.094 0.039 0.000 1.061 38 V CA -0.794 61.526 62.300 0.033 0.000 0.931 38 V CB 2.333 33.994 31.823 -0.270 0.000 1.010 38 V HN 0.094 nan 8.190 nan 0.000 0.433 39 K N 3.710 124.143 120.400 0.055 0.000 2.221 39 K HA 0.416 4.711 4.320 -0.043 0.000 0.258 39 K C -1.326 175.265 176.600 -0.016 0.000 0.944 39 K CA -0.632 55.584 56.287 -0.119 0.000 0.823 39 K CB 1.295 33.481 32.500 -0.523 0.000 1.113 39 K HN 0.645 nan 8.250 nan 0.000 0.431 40 Y N 3.454 123.678 120.300 -0.125 0.000 2.442 40 Y HA 0.036 4.560 4.550 -0.043 0.000 0.330 40 Y C -0.297 175.573 175.900 -0.050 0.000 1.129 40 Y CA 0.506 58.564 58.100 -0.070 0.000 1.365 40 Y CB 0.737 39.161 38.460 -0.061 0.000 1.233 40 Y HN 0.521 nan 8.280 nan 0.000 0.529 41 Q N 3.937 123.315 119.800 -0.704 0.000 2.248 41 Q HA 0.489 4.803 4.340 -0.043 0.000 0.263 41 Q C 0.724 176.292 176.000 -0.720 0.000 1.007 41 Q CA 0.051 55.548 55.803 -0.510 0.000 0.877 41 Q CB 1.809 30.385 28.738 -0.269 0.000 1.315 41 Q HN 0.884 nan 8.270 nan 0.000 0.454 42 A N 1.633 124.266 122.820 -0.311 0.000 1.877 42 A HA -0.196 4.098 4.320 -0.043 0.000 0.216 42 A C 1.166 178.644 177.584 -0.177 0.000 1.186 42 A CA 2.053 53.984 52.037 -0.177 0.000 0.620 42 A CB -0.565 18.402 19.000 -0.055 0.000 0.822 42 A HN 0.823 nan 8.150 nan 0.000 0.443 43 D N -1.307 118.998 120.400 -0.159 0.000 2.411 43 D HA 0.129 4.744 4.640 -0.043 0.000 0.226 43 D C 1.234 177.460 176.300 -0.124 0.000 0.988 43 D CA 1.303 55.238 54.000 -0.107 0.000 0.938 43 D CB -0.914 39.841 40.800 -0.074 0.000 0.883 43 D HN 0.948 nan 8.370 nan 0.000 0.525 44 G N -0.288 108.363 108.800 -0.248 0.000 2.241 44 G HA2 -0.340 3.595 3.960 -0.043 0.000 0.244 44 G HA3 -0.340 3.595 3.960 -0.043 0.000 0.244 44 G C 0.639 175.456 174.900 -0.137 0.000 0.998 44 G CA 0.788 45.799 45.100 -0.147 0.000 0.621 44 G HN 0.859 nan 8.290 nan 0.000 0.519 45 S N -0.974 114.627 115.700 -0.165 0.000 2.484 45 S HA 0.787 5.231 4.470 -0.043 0.000 0.256 45 S C 0.244 174.791 174.600 -0.089 0.000 1.223 45 S CA 0.314 58.480 58.200 -0.057 0.000 1.002 45 S CB 1.830 65.024 63.200 -0.010 0.000 1.043 45 S HN 1.296 nan 8.310 nan 0.000 0.517 46 V N 0.432 120.364 119.914 0.029 0.000 3.147 46 V HA 0.583 4.677 4.120 -0.043 0.000 0.306 46 V C -1.375 174.827 176.094 0.180 0.000 1.209 46 V CA -0.778 61.566 62.300 0.073 0.000 1.023 46 V CB 1.891 33.767 31.823 0.089 0.000 1.059 46 V HN 0.981 nan 8.190 nan 0.000 0.435 47 I N 1.509 122.206 120.570 0.212 0.000 2.892 47 I HA 0.797 4.941 4.170 -0.043 0.000 0.306 47 I C -2.729 173.669 176.117 0.469 0.000 1.078 47 I CA -2.672 58.821 61.300 0.321 0.000 1.032 47 I CB 1.655 39.807 38.000 0.254 0.000 1.229 47 I HN 0.386 nan 8.210 nan 0.000 0.435 48 P HA 0.016 nan 4.420 nan 0.000 0.271 48 P C -0.742 176.945 177.300 0.645 0.000 1.218 48 P CA 0.114 63.625 63.100 0.685 0.000 0.780 48 P CB 1.368 33.413 31.700 0.574 0.000 0.901 49 W N 2.525 123.975 121.300 0.250 0.000 4.478 49 W HA 0.145 4.780 4.660 -0.042 0.000 0.466 49 W C 1.873 178.360 176.519 -0.054 0.000 3.462 49 W CA -0.119 57.344 57.345 0.197 0.000 1.151 49 W CB -0.295 29.299 29.460 0.223 0.000 2.118 49 W HN 0.035 nan 8.180 nan 0.000 0.352 50 L N 1.666 122.907 121.223 0.031 0.000 2.083 50 L HA -0.025 4.289 4.340 -0.043 0.000 0.209 50 L C 1.282 178.154 176.870 0.002 0.000 1.083 50 L CA 0.974 55.676 54.840 -0.230 0.000 0.752 50 L CB -0.949 41.027 42.059 -0.139 0.000 0.899 50 L HN 0.028 nan 8.230 nan 0.000 0.433 51 A N 0.274 123.205 122.820 0.185 0.000 2.395 51 A HA 0.056 4.351 4.320 -0.043 0.000 0.286 51 A C 1.357 179.170 177.584 0.383 0.000 1.193 51 A CA -0.155 52.090 52.037 0.345 0.000 0.852 51 A CB 0.377 19.684 19.000 0.512 0.000 1.118 51 A HN 0.223 nan 8.150 nan 0.000 0.524 52 K N 1.997 122.540 120.400 0.239 0.000 2.057 52 K HA -0.094 4.201 4.320 -0.043 0.000 0.207 52 K C 0.528 177.257 176.600 0.215 0.000 1.049 52 K CA 1.733 58.117 56.287 0.161 0.000 0.931 52 K CB -0.089 32.451 32.500 0.067 0.000 0.714 52 K HN 0.933 nan 8.250 nan 0.000 0.440 53 S N -2.234 113.632 115.700 0.277 0.000 2.595 53 S HA 0.489 4.933 4.470 -0.043 0.000 0.270 53 S C -1.604 173.170 174.600 0.290 0.000 1.145 53 S CA -1.014 57.210 58.200 0.040 0.000 0.825 53 S CB 0.588 63.710 63.200 -0.129 0.000 1.107 53 S HN 0.437 nan 8.310 nan 0.000 0.461 54 W N -0.410 120.959 121.300 0.116 0.000 3.039 54 W HA 0.868 5.503 4.660 -0.043 0.000 0.354 54 W C -0.892 175.632 176.519 0.009 0.000 1.206 54 W CA -0.792 56.547 57.345 -0.011 0.000 1.134 54 W CB 0.971 30.254 29.460 -0.295 0.000 1.493 54 W HN 0.803 nan 8.180 nan 0.000 0.591 55 T N 0.973 115.641 114.554 0.190 0.000 2.923 55 T HA 0.411 4.736 4.350 -0.043 0.000 0.311 55 T C -1.480 173.203 174.700 -0.028 0.000 1.183 55 T CA -0.600 61.541 62.100 0.068 0.000 1.020 55 T CB 0.831 69.680 68.868 -0.031 0.000 1.165 55 T HN 0.786 nan 8.240 nan 0.000 0.482 56 H N 0.331 119.136 119.070 -0.441 0.000 2.768 56 H HA 0.662 5.193 4.556 -0.043 0.000 0.371 56 H C -0.316 174.684 175.328 -0.547 0.000 1.151 56 H CA -0.742 54.778 56.048 -0.880 0.000 1.165 56 H CB 1.199 29.785 29.762 -1.959 0.000 1.722 56 H HN 0.534 nan 8.280 nan 0.000 0.543 57 S N 0.407 115.807 115.700 -0.500 0.000 2.560 57 S HA -0.080 4.365 4.470 -0.043 0.000 0.284 57 S C 1.376 175.764 174.600 -0.352 0.000 1.327 57 S CA 0.266 58.261 58.200 -0.341 0.000 1.055 57 S CB 0.317 63.389 63.200 -0.213 0.000 0.868 57 S HN 0.791 nan 8.310 nan 0.000 0.506 58 E N 1.852 121.882 120.200 -0.282 0.000 2.130 58 E HA -0.238 4.086 4.350 -0.043 0.000 0.196 58 E C 1.149 177.676 176.600 -0.122 0.000 0.998 58 E CA 1.739 58.007 56.400 -0.219 0.000 0.806 58 E CB -0.137 29.470 29.700 -0.155 0.000 0.738 58 E HN 0.891 nan 8.360 nan 0.000 0.459 59 D N -0.941 119.399 120.400 -0.100 0.000 2.363 59 D HA -0.028 4.586 4.640 -0.043 0.000 0.226 59 D C 1.225 177.517 176.300 -0.012 0.000 1.020 59 D CA 0.896 54.866 54.000 -0.050 0.000 0.892 59 D CB -0.178 40.596 40.800 -0.043 0.000 0.900 59 D HN 0.313 nan 8.370 nan 0.000 0.531 60 G N 1.151 109.935 108.800 -0.027 0.000 2.212 60 G HA2 -0.396 3.539 3.960 -0.043 0.000 0.267 60 G HA3 -0.396 3.539 3.960 -0.043 0.000 0.267 60 G C 1.046 176.027 174.900 0.135 0.000 1.002 60 G CA 0.894 46.028 45.100 0.056 0.000 0.729 60 G HN 0.496 nan 8.290 nan 0.000 0.517 61 K N -1.000 119.424 120.400 0.041 0.000 2.308 61 K HA 0.111 4.406 4.320 -0.043 0.000 0.197 61 K C 0.672 177.325 176.600 0.089 0.000 1.049 61 K CA 0.825 57.163 56.287 0.086 0.000 0.991 61 K CB 0.440 32.959 32.500 0.032 0.000 0.836 61 K HN 0.289 nan 8.250 nan 0.000 0.500 62 T N 0.946 115.485 114.554 -0.025 0.000 2.771 62 T HA 0.310 4.634 4.350 -0.043 0.000 0.281 62 T C -1.339 173.301 174.700 -0.100 0.000 0.982 62 T CA -0.490 61.608 62.100 -0.003 0.000 0.978 62 T CB 0.621 69.465 68.868 -0.040 0.000 0.930 62 T HN 0.054 nan 8.240 nan 0.000 0.447 63 W N 1.581 122.868 121.300 -0.022 0.000 2.736 63 W HA 0.546 5.181 4.660 -0.043 0.000 0.335 63 W C -0.067 176.455 176.519 0.005 0.000 1.059 63 W CA -0.637 56.708 57.345 -0.001 0.000 1.226 63 W CB 1.634 31.118 29.460 0.039 0.000 1.416 63 W HN 0.349 nan 8.180 nan 0.000 0.505 64 T N 3.781 118.411 114.554 0.126 0.000 2.864 64 T HA 0.450 4.775 4.350 -0.043 0.000 0.299 64 T C -0.982 173.782 174.700 0.105 0.000 1.011 64 T CA -0.534 61.651 62.100 0.141 0.000 0.975 64 T CB 0.019 68.939 68.868 0.087 0.000 0.962 64 T HN -0.002 nan 8.240 nan 0.000 0.448 65 F N 1.633 121.773 119.950 0.317 0.000 2.385 65 F HA 0.428 4.929 4.527 -0.043 0.000 0.336 65 F C 1.270 177.204 175.800 0.224 0.000 1.100 65 F CA -0.735 57.473 58.000 0.348 0.000 1.116 65 F CB 1.201 40.386 39.000 0.307 0.000 1.166 65 F HN 0.258 nan 8.300 nan 0.000 0.511 66 T N 4.957 119.745 114.554 0.390 0.000 2.801 66 T HA 0.426 4.751 4.350 -0.043 0.000 0.306 66 T C 0.219 175.043 174.700 0.206 0.000 1.020 66 T CA -0.558 61.674 62.100 0.219 0.000 0.948 66 T CB 0.040 68.993 68.868 0.141 0.000 0.962 66 T HN 0.277 nan 8.240 nan 0.000 0.465 67 L N 2.760 124.061 121.223 0.131 0.000 2.476 67 L HA 0.429 4.744 4.340 -0.043 0.000 0.255 67 L C 1.099 177.969 176.870 0.000 0.000 1.218 67 L CA -0.781 54.099 54.840 0.067 0.000 0.819 67 L CB 0.393 42.426 42.059 -0.044 0.000 1.119 67 L HN 0.393 nan 8.230 nan 0.000 0.485 68 R N 0.227 120.692 120.500 -0.058 0.000 2.357 68 R HA 0.088 4.402 4.340 -0.043 0.000 0.296 68 R C 0.180 176.423 176.300 -0.096 0.000 1.052 68 R CA -0.406 55.613 56.100 -0.134 0.000 0.988 68 R CB 0.972 31.064 30.300 -0.345 0.000 1.025 68 R HN 0.675 nan 8.270 nan 0.000 0.469 69 D N 0.261 120.616 120.400 -0.075 0.000 2.201 69 D HA -0.156 4.459 4.640 -0.043 0.000 0.209 69 D C 0.508 176.782 176.300 -0.043 0.000 0.961 69 D CA 0.378 54.347 54.000 -0.052 0.000 0.861 69 D CB -0.040 40.739 40.800 -0.035 0.000 0.997 69 D HN 0.557 nan 8.370 nan 0.000 0.486 70 D N 1.084 121.452 120.400 -0.054 0.000 2.813 70 D HA -0.014 4.600 4.640 -0.043 0.000 0.248 70 D C -0.424 175.849 176.300 -0.045 0.000 1.254 70 D CA -0.247 53.733 54.000 -0.033 0.000 0.921 70 D CB -0.293 40.495 40.800 -0.020 0.000 1.118 70 D HN 0.113 nan 8.370 nan 0.000 0.450 71 V N 0.386 120.266 119.914 -0.056 0.000 2.443 71 V HA 0.252 4.347 4.120 -0.043 0.000 0.293 71 V C -0.099 176.016 176.094 0.034 0.000 1.021 71 V CA -1.076 61.178 62.300 -0.077 0.000 0.848 71 V CB 1.765 33.422 31.823 -0.276 0.000 0.998 71 V HN 0.142 nan 8.190 nan 0.000 0.424 72 K N 4.440 124.874 120.400 0.056 0.000 2.235 72 K HA 0.550 4.845 4.320 -0.043 0.000 0.266 72 K C -0.425 176.269 176.600 0.156 0.000 0.980 72 K CA -0.597 55.765 56.287 0.125 0.000 0.849 72 K CB 1.046 33.610 32.500 0.107 0.000 1.098 72 K HN 0.415 nan 8.250 nan 0.000 0.445 73 F N 1.863 121.899 119.950 0.143 0.000 2.633 73 F HA -0.152 4.350 4.527 -0.043 0.000 0.338 73 F C 2.077 177.953 175.800 0.125 0.000 1.206 73 F CA 1.006 59.098 58.000 0.153 0.000 1.378 73 F CB 0.825 39.929 39.000 0.173 0.000 1.116 73 F HN 0.742 nan 8.300 nan 0.000 0.615 74 S N 1.008 116.951 115.700 0.405 0.000 2.372 74 S HA -0.289 4.155 4.470 -0.043 0.000 0.227 74 S C 1.282 175.999 174.600 0.194 0.000 1.044 74 S CA 1.951 60.301 58.200 0.250 0.000 1.050 74 S CB -0.597 62.742 63.200 0.231 0.000 0.901 74 S HN 0.682 nan 8.310 nan 0.000 0.447 75 N N 0.460 119.281 118.700 0.203 0.000 2.509 75 N HA 0.293 5.007 4.740 -0.043 0.000 0.239 75 N C 0.929 176.509 175.510 0.118 0.000 1.215 75 N CA 0.811 53.937 53.050 0.127 0.000 0.882 75 N CB -0.589 37.952 38.487 0.089 0.000 1.189 75 N HN 0.444 nan 8.380 nan 0.000 0.490 76 G N -0.809 108.073 108.800 0.136 0.000 2.353 76 G HA2 -0.383 3.551 3.960 -0.043 0.000 0.258 76 G HA3 -0.383 3.551 3.960 -0.043 0.000 0.258 76 G C 0.088 175.067 174.900 0.131 0.000 1.013 76 G CA 0.518 45.686 45.100 0.114 0.000 0.622 76 G HN 0.544 nan 8.290 nan 0.000 0.535 77 E N 1.899 122.191 120.200 0.154 0.000 2.447 77 E HA 0.321 4.646 4.350 -0.043 0.000 0.259 77 E C -2.066 174.680 176.600 0.243 0.000 1.196 77 E CA -0.556 55.934 56.400 0.150 0.000 0.995 77 E CB 0.596 30.346 29.700 0.083 0.000 0.974 77 E HN 0.355 nan 8.360 nan 0.000 0.465 78 P HA 0.169 nan 4.420 nan 0.000 0.296 78 P C -1.365 176.171 177.300 0.393 0.000 1.310 78 P CA -0.457 62.786 63.100 0.238 0.000 0.900 78 P CB 0.664 32.432 31.700 0.113 0.000 1.111 79 F N 3.826 123.884 119.950 0.180 0.000 2.385 79 F HA 0.475 4.977 4.527 -0.043 0.000 0.360 79 F C -0.790 175.010 175.800 0.001 0.000 1.122 79 F CA -0.165 57.905 58.000 0.116 0.000 1.090 79 F CB 0.483 39.355 39.000 -0.212 0.000 1.150 79 F HN 0.267 nan 8.300 nan 0.000 0.472 80 D N 3.587 123.577 120.400 -0.683 0.000 2.615 80 D HA 0.404 5.019 4.640 -0.043 0.000 0.267 80 D C 0.416 176.374 176.300 -0.570 0.000 1.236 80 D CA -0.313 53.320 54.000 -0.612 0.000 0.839 80 D CB 0.932 41.588 40.800 -0.240 0.000 1.380 80 D HN 0.536 nan 8.370 nan 0.000 0.433 81 A N -0.058 122.545 122.820 -0.363 0.000 2.009 81 A HA -0.297 3.997 4.320 -0.043 0.000 0.222 81 A C 1.855 179.393 177.584 -0.077 0.000 1.175 81 A CA 2.491 54.417 52.037 -0.185 0.000 0.651 81 A CB -0.894 18.061 19.000 -0.074 0.000 0.815 81 A HN 0.626 nan 8.150 nan 0.000 0.459 82 E N -0.057 120.099 120.200 -0.073 0.000 2.072 82 E HA -0.007 4.318 4.350 -0.043 0.000 0.191 82 E C 2.106 178.728 176.600 0.037 0.000 0.985 82 E CA 1.527 57.923 56.400 -0.008 0.000 0.801 82 E CB -0.543 29.145 29.700 -0.020 0.000 0.750 82 E HN 0.489 nan 8.360 nan 0.000 0.452 83 A N 0.909 123.741 122.820 0.020 0.000 1.873 83 A HA -0.026 4.269 4.320 -0.043 0.000 0.215 83 A C 2.449 180.184 177.584 0.252 0.000 1.186 83 A CA 2.165 54.287 52.037 0.142 0.000 0.616 83 A CB -1.148 18.001 19.000 0.247 0.000 0.823 83 A HN 0.361 nan 8.150 nan 0.000 0.442 84 A N 0.138 123.021 122.820 0.106 0.000 1.849 84 A HA 0.008 4.302 4.320 -0.043 0.000 0.217 84 A C 2.576 180.516 177.584 0.593 0.000 1.202 84 A CA 2.876 55.046 52.037 0.221 0.000 0.629 84 A CB -1.372 17.607 19.000 -0.036 0.000 0.834 84 A HN 1.259 nan 8.150 nan 0.000 0.447 85 A N -1.163 121.909 122.820 0.420 0.000 1.948 85 A HA -0.212 4.083 4.320 -0.043 0.000 0.220 85 A C 1.992 179.809 177.584 0.388 0.000 1.177 85 A CA 1.946 54.231 52.037 0.413 0.000 0.636 85 A CB -0.515 18.603 19.000 0.196 0.000 0.815 85 A HN 0.523 nan 8.150 nan 0.000 0.449 86 E N 0.043 120.424 120.200 0.301 0.000 2.110 86 E HA -0.169 4.156 4.350 -0.043 0.000 0.193 86 E C 1.814 178.655 176.600 0.402 0.000 0.988 86 E CA 1.367 57.927 56.400 0.267 0.000 0.804 86 E CB -0.379 29.405 29.700 0.141 0.000 0.745 86 E HN 0.723 nan 8.360 nan 0.000 0.458 87 N N -0.141 118.844 118.700 0.475 0.000 2.039 87 N HA -0.118 4.596 4.740 -0.043 0.000 0.193 87 N C 1.688 177.293 175.510 0.157 0.000 1.044 87 N CA 1.172 54.464 53.050 0.404 0.000 0.847 87 N CB -0.423 38.315 38.487 0.419 0.000 1.030 87 N HN 0.046 nan 8.380 nan 0.000 0.422 88 F N 1.325 121.403 119.950 0.214 0.000 2.063 88 F HA -0.221 4.281 4.527 -0.043 0.000 0.298 88 F C 2.359 178.223 175.800 0.108 0.000 1.109 88 F CA 1.459 59.551 58.000 0.154 0.000 1.212 88 F CB -0.425 38.701 39.000 0.209 0.000 0.973 88 F HN -0.008 nan 8.300 nan 0.000 0.480 89 R N -0.053 120.665 120.500 0.363 0.000 2.091 89 R HA -0.183 4.132 4.340 -0.043 0.000 0.238 89 R C 2.441 178.868 176.300 0.212 0.000 1.136 89 R CA 1.343 57.588 56.100 0.241 0.000 0.959 89 R CB -0.954 29.474 30.300 0.213 0.000 0.856 89 R HN 0.341 nan 8.270 nan 0.000 0.437 90 A N 0.731 123.710 122.820 0.264 0.000 1.883 90 A HA -0.140 4.155 4.320 -0.043 0.000 0.217 90 A C 2.399 180.048 177.584 0.109 0.000 1.186 90 A CA 1.688 53.890 52.037 0.275 0.000 0.624 90 A CB -0.606 18.651 19.000 0.430 0.000 0.822 90 A HN 0.127 nan 8.150 nan 0.000 0.444 91 V N 0.148 120.025 119.914 -0.062 0.000 2.261 91 V HA -0.265 3.829 4.120 -0.043 0.000 0.246 91 V C 2.537 178.574 176.094 -0.094 0.000 1.047 91 V CA 1.987 64.121 62.300 -0.277 0.000 1.015 91 V CB -1.001 30.419 31.823 -0.671 0.000 0.642 91 V HN 0.564 nan 8.190 nan 0.000 0.446 92 L N 0.041 121.275 121.223 0.019 0.000 2.187 92 L HA -0.212 4.102 4.340 -0.043 0.000 0.213 92 L C 2.209 179.141 176.870 0.104 0.000 1.100 92 L CA 1.354 56.246 54.840 0.087 0.000 0.765 92 L CB -0.811 41.325 42.059 0.130 0.000 0.904 92 L HN 0.349 nan 8.230 nan 0.000 0.437 93 D N -0.260 120.205 120.400 0.108 0.000 2.354 93 D HA -0.184 4.430 4.640 -0.043 0.000 0.216 93 D C 1.451 177.818 176.300 0.111 0.000 0.970 93 D CA 1.054 55.119 54.000 0.108 0.000 0.905 93 D CB -0.179 40.693 40.800 0.120 0.000 0.903 93 D HN 0.462 nan 8.370 nan 0.000 0.508 94 N N -0.132 118.654 118.700 0.144 0.000 2.200 94 N HA 0.029 4.744 4.740 -0.043 0.000 0.224 94 N C 1.558 177.218 175.510 0.250 0.000 1.179 94 N CA -0.289 52.867 53.050 0.177 0.000 0.877 94 N CB 0.441 39.057 38.487 0.215 0.000 1.072 94 N HN -0.095 nan 8.380 nan 0.000 0.519 95 R N 1.063 121.693 120.500 0.216 0.000 2.196 95 R HA -0.319 3.996 4.340 -0.043 0.000 0.259 95 R C 2.006 178.393 176.300 0.144 0.000 1.154 95 R CA 2.157 58.373 56.100 0.193 0.000 0.976 95 R CB -0.102 30.264 30.300 0.110 0.000 0.888 95 R HN 0.231 nan 8.270 nan 0.000 0.453 96 Q N 0.705 120.559 119.800 0.091 0.000 2.096 96 Q HA -0.250 4.065 4.340 -0.043 0.000 0.208 96 Q C 2.002 178.023 176.000 0.035 0.000 0.993 96 Q CA 2.692 58.524 55.803 0.049 0.000 0.862 96 Q CB -0.214 28.542 28.738 0.031 0.000 0.915 96 Q HN 0.641 nan 8.270 nan 0.000 0.416 97 R N -1.873 118.628 120.500 0.001 0.000 2.200 97 R HA -0.029 4.286 4.340 -0.043 0.000 0.208 97 R C 1.194 177.491 176.300 -0.005 0.000 1.033 97 R CA 1.272 57.343 56.100 -0.048 0.000 1.000 97 R CB -0.375 29.855 30.300 -0.116 0.000 0.906 97 R HN 0.332 nan 8.270 nan 0.000 0.462 98 H N 0.431 119.603 119.070 0.169 0.000 2.536 98 H HA 0.268 4.798 4.556 -0.043 0.000 0.276 98 H C 1.548 176.768 175.328 -0.180 0.000 1.019 98 H CA 0.551 56.638 56.048 0.064 0.000 1.159 98 H CB 0.570 30.324 29.762 -0.014 0.000 1.373 98 H HN 0.432 nan 8.280 nan 0.000 0.584 99 A N 1.926 124.775 122.820 0.048 0.000 2.024 99 A HA -0.164 4.130 4.320 -0.043 0.000 0.220 99 A C 2.243 179.825 177.584 -0.003 0.000 1.164 99 A CA 1.132 53.179 52.037 0.016 0.000 0.643 99 A CB -0.993 18.039 19.000 0.052 0.000 0.806 99 A HN 0.723 nan 8.150 nan 0.000 0.451 100 W N -1.180 120.173 121.300 0.087 0.000 2.392 100 W HA 0.054 4.688 4.660 -0.043 0.000 0.279 100 W C 0.299 176.922 176.519 0.172 0.000 1.225 100 W CA 0.467 57.883 57.345 0.118 0.000 1.233 100 W CB -0.777 28.753 29.460 0.116 0.000 1.122 100 W HN 0.284 nan 8.180 nan 0.000 0.561 101 L N 3.181 123.746 121.223 -1.097 0.000 2.314 101 L HA 0.219 4.534 4.340 -0.043 0.000 0.275 101 L C 1.408 178.075 176.870 -0.339 0.000 1.068 101 L CA -0.501 53.750 54.840 -0.981 0.000 0.894 101 L CB 0.596 41.676 42.059 -1.632 0.000 1.275 101 L HN -0.105 nan 8.230 nan 0.000 0.432 102 E N 2.671 122.808 120.200 -0.105 0.000 2.352 102 E HA -0.269 4.055 4.350 -0.043 0.000 0.203 102 E C 1.543 178.006 176.600 -0.229 0.000 1.024 102 E CA 1.616 57.972 56.400 -0.075 0.000 0.842 102 E CB -0.159 29.582 29.700 0.069 0.000 0.753 102 E HN 0.773 nan 8.360 nan 0.000 0.508 103 L N -1.025 120.127 121.223 -0.117 0.000 2.093 103 L HA -0.121 4.193 4.340 -0.043 0.000 0.208 103 L C 2.132 178.949 176.870 -0.089 0.000 1.085 103 L CA 1.208 55.945 54.840 -0.172 0.000 0.755 103 L CB -0.574 41.536 42.059 0.086 0.000 0.904 103 L HN 0.310 nan 8.230 nan 0.000 0.435 104 A N 1.705 124.543 122.820 0.030 0.000 1.859 104 A HA -0.287 4.007 4.320 -0.043 0.000 0.218 104 A C 1.268 178.862 177.584 0.015 0.000 1.209 104 A CA 2.214 54.314 52.037 0.106 0.000 0.639 104 A CB -1.209 17.810 19.000 0.033 0.000 0.835 104 A HN 0.756 nan 8.150 nan 0.000 0.450 105 N N -1.095 117.576 118.700 -0.048 0.000 2.878 105 N HA 0.269 4.984 4.740 -0.043 0.000 0.282 105 N C 0.238 175.676 175.510 -0.119 0.000 1.284 105 N CA 0.649 53.666 53.050 -0.054 0.000 1.053 105 N CB 0.775 39.239 38.487 -0.039 0.000 1.382 105 N HN 0.574 nan 8.380 nan 0.000 0.529 106 Q N -0.471 119.233 119.800 -0.160 0.000 2.237 106 Q HA 0.322 4.636 4.340 -0.043 0.000 0.254 106 Q C -0.435 175.452 176.000 -0.188 0.000 0.771 106 Q CA -0.001 55.652 55.803 -0.249 0.000 0.958 106 Q CB 0.665 29.088 28.738 -0.525 0.000 1.202 106 Q HN 0.314 nan 8.270 nan 0.000 0.492 107 I N 2.546 123.037 120.570 -0.131 0.000 2.494 107 I HA -0.016 4.129 4.170 -0.043 0.000 0.289 107 I C 1.188 177.266 176.117 -0.065 0.000 1.106 107 I CA 0.261 61.498 61.300 -0.106 0.000 1.369 107 I CB 0.771 38.741 38.000 -0.050 0.000 1.410 107 I HN 0.079 nan 8.210 nan 0.000 0.523 108 V N 5.827 125.698 119.914 -0.072 0.000 2.323 108 V HA -0.097 3.997 4.120 -0.043 0.000 0.244 108 V C 0.663 176.742 176.094 -0.024 0.000 1.041 108 V CA 1.696 63.971 62.300 -0.041 0.000 1.025 108 V CB -0.395 31.404 31.823 -0.039 0.000 0.656 108 V HN 0.972 nan 8.190 nan 0.000 0.451 109 D N -2.424 117.955 120.400 -0.036 0.000 2.912 109 D HA 0.255 4.870 4.640 -0.043 0.000 0.263 109 D C -1.522 174.748 176.300 -0.051 0.000 1.152 109 D CA -0.283 53.704 54.000 -0.022 0.000 0.728 109 D CB 1.961 42.758 40.800 -0.005 0.000 1.337 109 D HN -0.031 nan 8.370 nan 0.000 0.435 110 V N -0.030 119.857 119.914 -0.046 0.000 2.876 110 V HA 0.779 4.873 4.120 -0.043 0.000 0.312 110 V C -0.344 175.747 176.094 -0.004 0.000 1.085 110 V CA -0.797 61.455 62.300 -0.080 0.000 0.945 110 V CB 1.915 33.606 31.823 -0.220 0.000 1.017 110 V HN 0.884 nan 8.190 nan 0.000 0.428 111 K N 1.817 122.223 120.400 0.009 0.000 2.562 111 K HA 0.837 5.131 4.320 -0.043 0.000 0.267 111 K C -1.135 175.487 176.600 0.038 0.000 0.938 111 K CA -0.724 55.581 56.287 0.030 0.000 0.840 111 K CB 2.489 35.002 32.500 0.020 0.000 1.390 111 K HN 0.837 nan 8.250 nan 0.000 0.428 112 A N 3.136 125.977 122.820 0.036 0.000 2.302 112 A HA 0.384 4.679 4.320 -0.043 0.000 0.295 112 A C 0.265 177.862 177.584 0.021 0.000 1.235 112 A CA -0.613 51.442 52.037 0.029 0.000 0.876 112 A CB 0.006 19.015 19.000 0.016 0.000 1.133 112 A HN 0.596 nan 8.150 nan 0.000 0.533 113 L N 2.242 123.481 121.223 0.027 0.000 2.044 113 L HA 0.160 4.475 4.340 -0.043 0.000 0.218 113 L C 2.045 178.921 176.870 0.009 0.000 1.133 113 L CA 1.563 56.415 54.840 0.020 0.000 1.742 113 L CB -1.118 40.959 42.059 0.030 0.000 1.442 113 L HN 0.748 nan 8.230 nan 0.000 0.839 114 S N -0.702 115.004 115.700 0.010 0.000 2.632 114 S HA -0.064 4.380 4.470 -0.043 0.000 0.254 114 S C 1.315 175.907 174.600 -0.013 0.000 1.291 114 S CA 0.220 58.420 58.200 -0.001 0.000 0.974 114 S CB 0.137 63.338 63.200 0.002 0.000 1.016 114 S HN 0.370 nan 8.310 nan 0.000 0.579 115 K N -0.684 119.703 120.400 -0.022 0.000 2.365 115 K HA -0.026 4.268 4.320 -0.043 0.000 0.199 115 K C 0.931 177.492 176.600 -0.066 0.000 1.045 115 K CA 1.555 57.818 56.287 -0.041 0.000 0.962 115 K CB -0.303 32.176 32.500 -0.036 0.000 0.759 115 K HN 0.768 nan 8.250 nan 0.000 0.469 116 T N -2.058 112.469 114.554 -0.045 0.000 3.144 116 T HA 0.233 4.557 4.350 -0.043 0.000 0.290 116 T C -0.343 174.359 174.700 0.004 0.000 0.966 116 T CA -0.674 61.396 62.100 -0.051 0.000 0.907 116 T CB 0.382 69.227 68.868 -0.039 0.000 1.152 116 T HN -0.070 nan 8.240 nan 0.000 0.532 117 E N 1.636 121.849 120.200 0.022 0.000 2.197 117 E HA 0.571 4.895 4.350 -0.043 0.000 0.281 117 E C -1.273 175.379 176.600 0.087 0.000 0.995 117 E CA -0.769 55.672 56.400 0.068 0.000 0.808 117 E CB 2.455 32.186 29.700 0.052 0.000 1.093 117 E HN 0.211 nan 8.360 nan 0.000 0.394 118 L N 2.628 123.953 121.223 0.168 0.000 2.376 118 L HA 0.277 4.592 4.340 -0.043 0.000 0.275 118 L C -0.811 176.216 176.870 0.261 0.000 0.987 118 L CA -0.270 54.689 54.840 0.198 0.000 0.828 118 L CB 1.711 43.913 42.059 0.238 0.000 1.249 118 L HN 0.413 nan 8.230 nan 0.000 0.409 119 Q N 5.093 124.991 119.800 0.163 0.000 2.322 119 Q HA 0.642 4.956 4.340 -0.043 0.000 0.265 119 Q C -1.488 174.580 176.000 0.113 0.000 0.985 119 Q CA -0.508 55.386 55.803 0.152 0.000 0.849 119 Q CB 1.513 30.301 28.738 0.083 0.000 1.274 119 Q HN 0.717 nan 8.270 nan 0.000 0.449 120 I N 2.939 123.617 120.570 0.179 0.000 2.436 120 I HA 0.341 4.485 4.170 -0.043 0.000 0.289 120 I C -0.199 175.960 176.117 0.071 0.000 1.010 120 I CA -0.787 60.561 61.300 0.081 0.000 1.098 120 I CB 2.104 40.190 38.000 0.143 0.000 1.266 120 I HN 0.560 nan 8.210 nan 0.000 0.434 121 T N 5.238 119.784 114.554 -0.012 0.000 2.829 121 T HA 0.814 5.139 4.350 -0.043 0.000 0.280 121 T C -0.763 173.894 174.700 -0.072 0.000 0.999 121 T CA -0.610 61.483 62.100 -0.012 0.000 0.983 121 T CB 1.467 70.329 68.868 -0.010 0.000 0.968 121 T HN 0.391 nan 8.240 nan 0.000 0.446 122 L N 2.692 123.870 121.223 -0.075 0.000 2.323 122 L HA 0.554 4.869 4.340 -0.043 0.000 0.265 122 L C 1.499 178.332 176.870 -0.062 0.000 1.012 122 L CA -1.287 53.482 54.840 -0.119 0.000 0.820 122 L CB 1.817 43.750 42.059 -0.210 0.000 1.334 122 L HN 0.666 nan 8.230 nan 0.000 0.427 123 K N 0.114 120.470 120.400 -0.074 0.000 2.152 123 K HA -0.080 4.214 4.320 -0.043 0.000 0.206 123 K C 0.566 177.162 176.600 -0.007 0.000 1.048 123 K CA 1.370 57.633 56.287 -0.040 0.000 0.933 123 K CB -0.083 32.386 32.500 -0.052 0.000 0.721 123 K HN 0.713 nan 8.250 nan 0.000 0.447 124 S N -1.396 114.308 115.700 0.006 0.000 2.685 124 S HA 0.577 5.022 4.470 -0.043 0.000 0.282 124 S C -1.107 173.585 174.600 0.154 0.000 1.159 124 S CA -0.926 57.322 58.200 0.081 0.000 0.833 124 S CB 1.867 65.132 63.200 0.110 0.000 1.151 124 S HN 0.061 nan 8.310 nan 0.000 0.485 125 A N 1.579 124.534 122.820 0.225 0.000 2.906 125 A HA 0.388 4.682 4.320 -0.043 0.000 0.289 125 A C -0.626 177.235 177.584 0.462 0.000 1.675 125 A CA -0.206 52.031 52.037 0.334 0.000 1.372 125 A CB -1.367 17.790 19.000 0.261 0.000 1.091 125 A HN 0.760 nan 8.150 nan 0.000 0.579 126 Y N 3.727 124.124 120.300 0.162 0.000 2.584 126 Y HA 0.220 4.744 4.550 -0.043 0.000 0.351 126 Y C 1.022 176.965 175.900 0.072 0.000 1.030 126 Y CA -0.810 57.313 58.100 0.039 0.000 1.332 126 Y CB 0.019 38.438 38.460 -0.069 0.000 1.148 126 Y HN 0.743 nan 8.280 nan 0.000 0.528 127 Y N 4.639 124.824 120.300 -0.192 0.000 2.352 127 Y HA 0.189 4.713 4.550 -0.043 0.000 0.292 127 Y C -1.374 174.313 175.900 -0.355 0.000 1.136 127 Y CA -0.143 57.827 58.100 -0.216 0.000 1.227 127 Y CB -1.475 36.783 38.460 -0.335 0.000 0.991 127 Y HN 0.366 nan 8.280 nan 0.000 0.545 128 P HA 0.074 nan 4.420 nan 0.000 0.256 128 P C 0.977 177.965 177.300 -0.521 0.000 1.384 128 P CA 0.188 62.719 63.100 -0.949 0.000 0.879 128 P CB -0.562 30.357 31.700 -1.300 0.000 1.403 129 F N 0.739 120.394 119.950 -0.492 0.000 2.026 129 F HA -0.224 4.277 4.527 -0.043 0.000 0.296 129 F C 1.802 177.434 175.800 -0.279 0.000 1.133 129 F CA 1.486 59.349 58.000 -0.228 0.000 1.188 129 F CB -0.277 38.508 39.000 -0.359 0.000 0.968 129 F HN -0.229 nan 8.300 nan 0.000 0.476 130 L N 0.112 121.000 121.223 -0.558 0.000 2.005 130 L HA -0.250 4.064 4.340 -0.043 0.000 0.207 130 L C 2.593 179.264 176.870 -0.332 0.000 1.072 130 L CA 1.789 56.264 54.840 -0.609 0.000 0.744 130 L CB -1.074 40.726 42.059 -0.431 0.000 0.895 130 L HN 0.326 nan 8.230 nan 0.000 0.433 131 Q N 0.368 120.063 119.800 -0.175 0.000 2.234 131 Q HA -0.233 4.082 4.340 -0.043 0.000 0.206 131 Q C 1.708 177.642 176.000 -0.110 0.000 0.980 131 Q CA 1.505 57.269 55.803 -0.065 0.000 0.869 131 Q CB 0.113 28.840 28.738 -0.018 0.000 0.912 131 Q HN 0.541 nan 8.270 nan 0.000 0.436 132 E N -0.315 119.809 120.200 -0.127 0.000 2.442 132 E HA -0.010 4.315 4.350 -0.043 0.000 0.195 132 E C 1.774 178.342 176.600 -0.052 0.000 1.030 132 E CA 0.036 56.416 56.400 -0.033 0.000 0.869 132 E CB 0.287 30.041 29.700 0.090 0.000 0.857 132 E HN 0.412 nan 8.360 nan 0.000 0.505 133 L N 0.287 121.379 121.223 -0.219 0.000 2.162 133 L HA 0.021 4.335 4.340 -0.043 0.000 0.205 133 L C 2.405 179.221 176.870 -0.090 0.000 1.086 133 L CA 0.550 55.255 54.840 -0.224 0.000 0.778 133 L CB -0.153 41.615 42.059 -0.485 0.000 0.928 133 L HN 0.081 nan 8.230 nan 0.000 0.446 134 A N 0.015 122.773 122.820 -0.102 0.000 2.178 134 A HA -0.016 4.278 4.320 -0.043 0.000 0.218 134 A C 1.241 178.811 177.584 -0.023 0.000 1.157 134 A CA 0.345 52.355 52.037 -0.044 0.000 0.689 134 A CB -0.636 18.365 19.000 0.003 0.000 0.787 134 A HN 0.253 nan 8.150 nan 0.000 0.465 135 L N -0.995 120.218 121.223 -0.017 0.000 2.503 135 L HA 0.006 4.320 4.340 -0.043 0.000 0.287 135 L C -1.403 175.513 176.870 0.078 0.000 1.252 135 L CA -1.064 53.792 54.840 0.027 0.000 0.835 135 L CB 0.117 42.248 42.059 0.120 0.000 1.099 135 L HN 0.053 nan 8.230 nan 0.000 0.516 136 P HA -0.060 nan 4.420 nan 0.000 0.226 136 P C -0.849 176.489 177.300 0.064 0.000 1.153 136 P CA 0.904 64.060 63.100 0.094 0.000 0.777 136 P CB 0.245 32.008 31.700 0.105 0.000 0.794 137 R N -3.081 117.472 120.500 0.088 0.000 2.824 137 R HA 0.221 4.536 4.340 -0.043 0.000 0.267 137 R C -2.971 173.375 176.300 0.077 0.000 1.035 137 R CA -1.200 54.896 56.100 -0.007 0.000 0.887 137 R CB -0.349 29.915 30.300 -0.059 0.000 1.262 137 R HN -0.293 nan 8.270 nan 0.000 0.487 138 P HA 0.154 nan 4.420 nan 0.000 0.261 138 P C -0.164 176.617 177.300 -0.864 0.000 1.268 138 P CA 0.170 62.936 63.100 -0.557 0.000 0.833 138 P CB 0.140 31.398 31.700 -0.738 0.000 1.231 139 F N 0.831 120.537 119.950 -0.407 0.000 2.869 139 F HA 0.173 4.674 4.527 -0.043 0.000 0.298 139 F C 1.412 176.715 175.800 -0.829 0.000 1.235 139 F CA -0.270 57.336 58.000 -0.657 0.000 1.402 139 F CB -0.152 38.596 39.000 -0.421 0.000 1.142 139 F HN -0.273 nan 8.300 nan 0.000 0.529 140 R N -0.043 120.100 120.500 -0.595 0.000 2.700 140 R HA 0.551 4.866 4.340 -0.043 0.000 0.253 140 R C -1.062 174.810 176.300 -0.714 0.000 1.091 140 R CA -0.793 55.020 56.100 -0.477 0.000 1.104 140 R CB 0.971 31.206 30.300 -0.108 0.000 1.202 140 R HN 0.012 nan 8.270 nan 0.000 0.532 141 F N 0.503 120.473 119.950 0.032 0.000 2.507 141 F HA 0.524 5.026 4.527 -0.042 0.000 0.325 141 F C 0.443 176.382 175.800 0.232 0.000 1.116 141 F CA -0.774 57.310 58.000 0.139 0.000 0.930 141 F CB 1.448 40.602 39.000 0.255 0.000 1.146 141 F HN 0.223 nan 8.300 nan 0.000 0.447 142 I N 2.255 123.011 120.570 0.310 0.000 2.562 142 I HA 0.779 4.923 4.170 -0.043 0.000 0.301 142 I C -0.245 176.081 176.117 0.347 0.000 1.003 142 I CA -0.916 60.580 61.300 0.327 0.000 1.127 142 I CB 1.531 39.422 38.000 -0.181 0.000 1.304 142 I HN 0.740 nan 8.210 nan 0.000 0.446 143 A N 7.695 130.433 122.820 -0.137 0.000 2.546 143 A HA 0.243 4.538 4.320 -0.043 0.000 0.243 143 A C -1.948 175.610 177.584 -0.044 0.000 1.063 143 A CA -0.716 50.868 52.037 -0.755 0.000 0.757 143 A CB -0.428 18.073 19.000 -0.832 0.000 0.991 143 A HN 0.697 nan 8.150 nan 0.000 0.503 144 P HA -0.159 nan 4.420 nan 0.000 0.216 144 P C 1.154 178.356 177.300 -0.163 0.000 1.150 144 P CA 1.804 64.861 63.100 -0.073 0.000 0.843 144 P CB -0.004 31.599 31.700 -0.163 0.000 0.787 145 S N -1.092 114.547 115.700 -0.101 0.000 3.054 145 S HA 0.002 4.446 4.470 -0.043 0.000 0.243 145 S C 0.746 175.363 174.600 0.028 0.000 1.013 145 S CA 0.228 58.391 58.200 -0.062 0.000 1.119 145 S CB -0.953 62.206 63.200 -0.069 0.000 0.838 145 S HN 0.116 nan 8.310 nan 0.000 0.505 146 Q N 0.175 120.089 119.800 0.190 0.000 2.038 146 Q HA 0.375 4.689 4.340 -0.043 0.000 0.240 146 Q C -0.772 175.421 176.000 0.322 0.000 0.831 146 Q CA -0.095 55.829 55.803 0.202 0.000 1.068 146 Q CB 0.211 29.020 28.738 0.118 0.000 1.241 146 Q HN 0.638 nan 8.270 nan 0.000 0.435 147 F N 0.663 120.575 119.950 -0.063 0.000 2.411 147 F HA 0.440 4.942 4.527 -0.042 0.000 0.324 147 F C 1.209 176.958 175.800 -0.085 0.000 1.086 147 F CA -1.092 56.869 58.000 -0.066 0.000 1.028 147 F CB 1.076 40.046 39.000 -0.050 0.000 1.284 147 F HN -0.405 nan 8.300 nan 0.000 0.501 148 K N 2.154 122.628 120.400 0.123 0.000 2.403 148 K HA 0.311 4.605 4.320 -0.043 0.000 0.235 148 K C -0.848 175.765 176.600 0.022 0.000 1.142 148 K CA -0.014 56.292 56.287 0.033 0.000 1.114 148 K CB 0.010 32.513 32.500 0.004 0.000 1.777 148 K HN 0.739 nan 8.250 nan 0.000 0.424 149 N N 0.247 118.912 118.700 -0.058 0.000 2.711 149 N HA -0.164 4.551 4.740 -0.043 0.000 0.248 149 N C -0.455 174.746 175.510 -0.516 0.000 0.543 149 N CA 0.349 53.260 53.050 -0.233 0.000 1.928 149 N CB -0.806 37.656 38.487 -0.043 0.000 1.833 149 N HN 0.523 nan 8.380 nan 0.000 0.314 150 H N 0.369 119.529 119.070 0.150 0.000 3.064 150 H HA 0.379 4.910 4.556 -0.043 0.000 0.232 150 H C -0.963 174.597 175.328 0.386 0.000 1.308 150 H CA -0.013 56.115 56.048 0.134 0.000 1.010 150 H CB 0.442 30.215 29.762 0.019 0.000 2.408 150 H HN 0.228 nan 8.280 nan 0.000 0.599 151 E N 0.705 121.209 120.200 0.505 0.000 2.314 151 E HA 0.236 4.560 4.350 -0.043 0.000 0.272 151 E C 0.513 177.143 176.600 0.050 0.000 0.884 151 E CA -0.362 56.218 56.400 0.300 0.000 0.753 151 E CB 2.520 32.313 29.700 0.155 0.000 1.213 151 E HN 0.244 nan 8.360 nan 0.000 0.432 152 T N -2.032 112.426 114.554 -0.161 0.000 2.969 152 T HA 0.001 4.325 4.350 -0.043 0.000 0.250 152 T C 1.789 176.391 174.700 -0.164 0.000 1.021 152 T CA 0.079 61.952 62.100 -0.378 0.000 1.003 152 T CB -0.109 68.398 68.868 -0.603 0.000 1.040 152 T HN 0.493 nan 8.240 nan 0.000 0.492 153 M N 1.245 120.816 119.600 -0.049 0.000 2.358 153 M HA 0.113 4.568 4.480 -0.043 0.000 0.264 153 M C 0.503 176.791 176.300 -0.020 0.000 1.064 153 M CA 1.492 56.787 55.300 -0.007 0.000 1.093 153 M CB -1.006 31.619 32.600 0.042 0.000 1.401 153 M HN 0.064 nan 8.290 nan 0.000 0.440 154 N N 1.619 120.305 118.700 -0.023 0.000 2.671 154 N HA 0.441 5.156 4.740 -0.043 0.000 0.303 154 N C -0.302 175.184 175.510 -0.040 0.000 1.351 154 N CA 0.037 53.077 53.050 -0.018 0.000 0.991 154 N CB 0.731 39.221 38.487 0.005 0.000 1.307 154 N HN 0.615 nan 8.380 nan 0.000 0.512 155 G N 1.272 110.029 108.800 -0.072 0.000 2.746 155 G HA2 -0.181 3.754 3.960 -0.043 0.000 0.685 155 G HA3 -0.181 3.754 3.960 -0.043 0.000 0.685 155 G C -0.583 174.242 174.900 -0.125 0.000 1.350 155 G CA -0.494 44.554 45.100 -0.087 0.000 0.837 155 G HN 0.297 nan 8.290 nan 0.000 0.564 156 I N -3.028 117.468 120.570 -0.122 0.000 3.174 156 I HA 0.736 4.881 4.170 -0.043 0.000 0.313 156 I C 0.885 176.968 176.117 -0.057 0.000 1.155 156 I CA -1.424 59.797 61.300 -0.132 0.000 0.977 156 I CB 1.867 39.746 38.000 -0.202 0.000 1.248 156 I HN 0.645 nan 8.210 nan 0.000 0.453 157 K N 1.516 121.904 120.400 -0.020 0.000 2.015 157 K HA 0.403 4.697 4.320 -0.043 0.000 0.215 157 K C 0.370 176.965 176.600 -0.008 0.000 1.027 157 K CA 0.950 57.235 56.287 -0.004 0.000 0.960 157 K CB -0.111 32.400 32.500 0.018 0.000 0.798 157 K HN 0.771 nan 8.250 nan 0.000 0.447 158 A N 2.218 125.043 122.820 0.009 0.000 2.319 158 A HA 0.335 4.629 4.320 -0.043 0.000 0.310 158 A C -2.555 175.056 177.584 0.044 0.000 1.152 158 A CA -1.660 50.383 52.037 0.011 0.000 0.783 158 A CB 0.888 19.894 19.000 0.010 0.000 1.184 158 A HN 0.156 nan 8.150 nan 0.000 0.474 159 P HA 0.081 nan 4.420 nan 0.000 0.245 159 P C -0.856 176.505 177.300 0.102 0.000 1.347 159 P CA 0.642 63.810 63.100 0.114 0.000 1.314 159 P CB -0.361 31.356 31.700 0.029 0.000 1.679 160 I N 2.698 123.402 120.570 0.224 0.000 2.378 160 I HA 0.620 4.765 4.170 -0.043 0.000 0.291 160 I C 0.985 177.439 176.117 0.562 0.000 0.992 160 I CA 0.031 61.489 61.300 0.263 0.000 1.154 160 I CB 2.037 40.157 38.000 0.200 0.000 1.315 160 I HN 0.291 nan 8.210 nan 0.000 0.448 161 G N 2.155 111.225 108.800 0.449 0.000 3.021 161 G HA2 0.490 4.424 3.960 -0.043 0.000 0.290 161 G HA3 0.490 4.424 3.960 -0.043 0.000 0.290 161 G C 0.078 175.096 174.900 0.197 0.000 1.291 161 G CA 0.143 45.564 45.100 0.535 0.000 0.834 161 G HN 0.432 nan 8.290 nan 0.000 0.564 162 T N -2.089 112.464 114.554 -0.001 0.000 3.092 162 T HA 0.429 4.753 4.350 -0.043 0.000 0.258 162 T C 1.219 176.095 174.700 0.294 0.000 1.031 162 T CA 0.745 62.849 62.100 0.006 0.000 0.925 162 T CB 0.115 68.832 68.868 -0.251 0.000 1.036 162 T HN 0.900 nan 8.240 nan 0.000 0.544 163 G N 2.312 111.254 108.800 0.237 0.000 2.744 163 G HA2 0.356 4.291 3.960 -0.043 0.000 0.257 163 G HA3 0.356 4.291 3.960 -0.043 0.000 0.257 163 G C -1.773 173.128 174.900 0.000 0.000 1.244 163 G CA -1.010 44.215 45.100 0.209 0.000 0.916 163 G HN 0.178 nan 8.290 nan 0.000 0.564 164 P HA 0.139 nan 4.420 nan 0.000 0.257 164 P C -0.681 176.132 177.300 -0.812 0.000 1.241 164 P CA 0.258 62.770 63.100 -0.980 0.000 0.816 164 P CB 0.357 31.171 31.700 -1.476 0.000 1.150 165 W N 0.314 121.567 121.300 -0.078 0.000 2.587 165 W HA 0.510 5.144 4.660 -0.042 0.000 0.324 165 W C -0.406 176.171 176.519 0.096 0.000 1.040 165 W CA -0.592 56.772 57.345 0.033 0.000 1.222 165 W CB 1.216 30.699 29.460 0.039 0.000 1.381 165 W HN -0.329 nan 8.180 nan 0.000 0.483 166 I N 4.057 124.811 120.570 0.307 0.000 2.378 166 I HA 0.211 4.355 4.170 -0.043 0.000 0.291 166 I C -0.019 176.125 176.117 0.046 0.000 0.992 166 I CA -1.048 60.339 61.300 0.145 0.000 1.154 166 I CB 1.438 39.485 38.000 0.079 0.000 1.315 166 I HN 0.282 nan 8.210 nan 0.000 0.448 167 L N 7.021 128.141 121.223 -0.172 0.000 2.536 167 L HA 0.048 4.362 4.340 -0.043 0.000 0.282 167 L C 1.486 178.171 176.870 -0.308 0.000 1.174 167 L CA 0.366 54.843 54.840 -0.605 0.000 0.989 167 L CB 0.246 41.937 42.059 -0.613 0.000 1.311 167 L HN 0.808 nan 8.230 nan 0.000 0.455 168 Q N 3.490 123.162 119.800 -0.212 0.000 2.297 168 Q HA -0.054 4.261 4.340 -0.043 0.000 0.204 168 Q C 0.109 176.059 176.000 -0.083 0.000 0.962 168 Q CA 0.995 56.744 55.803 -0.090 0.000 0.879 168 Q CB 0.456 29.182 28.738 -0.020 0.000 0.947 168 Q HN 0.763 nan 8.270 nan 0.000 0.462 169 E N -0.606 119.520 120.200 -0.124 0.000 2.431 169 E HA 0.221 4.545 4.350 -0.043 0.000 0.287 169 E C -2.075 174.485 176.600 -0.067 0.000 1.032 169 E CA -0.378 55.992 56.400 -0.049 0.000 0.839 169 E CB 1.732 31.471 29.700 0.065 0.000 1.218 169 E HN 0.015 nan 8.360 nan 0.000 0.424 170 S N 2.894 118.536 115.700 -0.097 0.000 2.619 170 S HA 0.599 5.044 4.470 -0.043 0.000 0.280 170 S C -1.725 172.732 174.600 -0.238 0.000 1.150 170 S CA -0.733 57.368 58.200 -0.165 0.000 0.978 170 S CB 1.289 64.393 63.200 -0.160 0.000 1.041 170 S HN 0.422 nan 8.310 nan 0.000 0.485 171 K N 4.304 124.432 120.400 -0.455 0.000 2.579 171 K HA 0.485 4.779 4.320 -0.043 0.000 0.250 171 K C -0.904 175.490 176.600 -0.343 0.000 0.952 171 K CA -0.801 55.212 56.287 -0.457 0.000 0.857 171 K CB 0.969 33.005 32.500 -0.773 0.000 1.123 171 K HN 0.652 nan 8.250 nan 0.000 0.433 172 L N 4.833 125.947 121.223 -0.182 0.000 2.720 172 L HA -0.086 4.228 4.340 -0.043 0.000 0.289 172 L C 0.106 176.924 176.870 -0.087 0.000 1.232 172 L CA 1.817 56.592 54.840 -0.108 0.000 0.915 172 L CB -0.606 41.411 42.059 -0.070 0.000 1.184 172 L HN 1.055 nan 8.230 nan 0.000 0.491 173 N N 1.361 120.034 118.700 -0.045 0.000 2.900 173 N HA -0.280 4.434 4.740 -0.043 0.000 0.240 173 N C 0.529 176.045 175.510 0.011 0.000 0.953 173 N CA 1.422 54.468 53.050 -0.007 0.000 0.950 173 N CB -0.499 37.984 38.487 -0.006 0.000 1.102 173 N HN 0.869 nan 8.380 nan 0.000 0.593 174 Q N -1.352 118.427 119.800 -0.034 0.000 2.618 174 Q HA 0.170 4.485 4.340 -0.043 0.000 0.209 174 Q C -0.063 176.042 176.000 0.175 0.000 0.797 174 Q CA 0.804 56.645 55.803 0.062 0.000 0.888 174 Q CB 0.668 29.451 28.738 0.075 0.000 1.244 174 Q HN 0.510 nan 8.270 nan 0.000 0.626 175 Y N -1.830 118.528 120.300 0.095 0.000 2.853 175 Y HA 0.676 5.201 4.550 -0.043 0.000 0.326 175 Y C -1.855 174.123 175.900 0.130 0.000 1.384 175 Y CA -1.461 56.721 58.100 0.136 0.000 1.077 175 Y CB 1.188 39.716 38.460 0.113 0.000 1.395 175 Y HN -0.246 nan 8.280 nan 0.000 0.451 176 D N 0.696 121.344 120.400 0.413 0.000 2.990 176 D HA 0.528 5.143 4.640 -0.043 0.000 0.227 176 D C -1.568 174.978 176.300 0.409 0.000 1.249 176 D CA -0.299 53.861 54.000 0.267 0.000 0.891 176 D CB 3.094 44.034 40.800 0.234 0.000 1.647 176 D HN 0.503 nan 8.370 nan 0.000 0.530 177 V N 2.326 122.348 119.914 0.180 0.000 2.555 177 V HA 0.587 4.682 4.120 -0.043 0.000 0.302 177 V C -0.718 175.334 176.094 -0.070 0.000 1.038 177 V CA -0.651 61.759 62.300 0.183 0.000 0.887 177 V CB 1.548 33.452 31.823 0.135 0.000 0.991 177 V HN 0.351 nan 8.190 nan 0.000 0.434 178 F N 3.008 123.021 119.950 0.104 0.000 2.551 178 F HA 0.778 5.280 4.527 -0.042 0.000 0.316 178 F C 0.029 175.930 175.800 0.168 0.000 1.089 178 F CA -0.869 57.199 58.000 0.114 0.000 0.915 178 F CB 2.212 41.255 39.000 0.071 0.000 1.186 178 F HN 0.406 nan 8.300 nan 0.000 0.456 179 V N 0.099 120.221 119.914 0.348 0.000 2.864 179 V HA 0.630 4.724 4.120 -0.043 0.000 0.314 179 V C -0.199 176.071 176.094 0.293 0.000 1.073 179 V CA -1.287 61.181 62.300 0.280 0.000 0.956 179 V CB 1.776 33.678 31.823 0.132 0.000 1.023 179 V HN 0.843 nan 8.190 nan 0.000 0.435 180 R N 2.420 123.007 120.500 0.144 0.000 2.522 180 R HA 0.080 4.394 4.340 -0.043 0.000 0.284 180 R C 0.047 176.263 176.300 -0.140 0.000 1.032 180 R CA 0.144 56.123 56.100 -0.201 0.000 1.049 180 R CB 0.104 30.262 30.300 -0.237 0.000 0.956 180 R HN 0.994 nan 8.270 nan 0.000 0.422 181 N N 3.327 121.894 118.700 -0.221 0.000 2.402 181 N HA -0.038 4.676 4.740 -0.043 0.000 0.259 181 N C 0.314 175.785 175.510 -0.065 0.000 1.167 181 N CA -0.102 52.899 53.050 -0.081 0.000 0.949 181 N CB 0.871 39.335 38.487 -0.039 0.000 1.212 181 N HN 0.494 nan 8.380 nan 0.000 0.493 182 E N 2.057 122.240 120.200 -0.029 0.000 2.265 182 E HA -0.126 4.199 4.350 -0.043 0.000 0.196 182 E C -0.220 176.387 176.600 0.012 0.000 0.996 182 E CA 0.848 57.238 56.400 -0.017 0.000 0.832 182 E CB -0.059 29.638 29.700 -0.005 0.000 0.756 182 E HN 0.623 nan 8.360 nan 0.000 0.491 183 N N 0.538 119.261 118.700 0.038 0.000 2.761 183 N HA 0.019 4.734 4.740 -0.043 0.000 0.317 183 N C -0.850 174.705 175.510 0.075 0.000 1.546 183 N CA -0.147 52.934 53.050 0.051 0.000 1.015 183 N CB 0.088 38.609 38.487 0.058 0.000 1.343 183 N HN 0.093 nan 8.380 nan 0.000 0.504 184 Y N 0.837 121.089 120.300 -0.081 0.000 2.320 184 Y HA 0.164 4.689 4.550 -0.043 0.000 0.324 184 Y C 1.484 177.308 175.900 -0.126 0.000 1.190 184 Y CA -0.971 57.045 58.100 -0.140 0.000 1.215 184 Y CB 0.650 38.941 38.460 -0.281 0.000 1.221 184 Y HN 0.253 nan 8.280 nan 0.000 0.486 185 W N 4.108 124.827 121.300 -0.969 0.000 2.584 185 W HA 0.260 4.894 4.660 -0.043 0.000 0.264 185 W C 0.135 176.304 176.519 -0.583 0.000 1.264 185 W CA 0.583 57.523 57.345 -0.674 0.000 1.306 185 W CB -0.823 28.261 29.460 -0.626 0.000 1.110 185 W HN 0.670 nan 8.180 nan 0.000 0.606 186 G N 1.260 109.062 108.800 -1.664 0.000 2.641 186 G HA2 0.247 4.181 3.960 -0.043 0.000 0.239 186 G HA3 0.247 4.181 3.960 -0.043 0.000 0.239 186 G C -0.731 174.049 174.900 -0.199 0.000 1.402 186 G CA -0.878 43.684 45.100 -0.898 0.000 1.046 186 G HN 0.079 nan 8.290 nan 0.000 0.565 187 E N 0.102 120.238 120.200 -0.105 0.000 2.404 187 E HA 0.122 4.447 4.350 -0.043 0.000 0.261 187 E C -0.094 176.471 176.600 -0.058 0.000 1.074 187 E CA 0.003 56.375 56.400 -0.048 0.000 0.917 187 E CB 0.944 30.629 29.700 -0.024 0.000 0.965 187 E HN 0.309 nan 8.360 nan 0.000 0.433 188 K N 3.598 123.961 120.400 -0.062 0.000 2.349 188 K HA 0.159 4.453 4.320 -0.043 0.000 0.289 188 K C -2.360 174.165 176.600 -0.125 0.000 1.064 188 K CA -1.632 54.595 56.287 -0.101 0.000 0.947 188 K CB 0.363 32.824 32.500 -0.065 0.000 1.007 188 K HN 0.118 nan 8.250 nan 0.000 0.478 189 P HA 0.008 nan 4.420 nan 0.000 0.267 189 P C -0.117 177.144 177.300 -0.064 0.000 1.209 189 P CA -0.044 62.953 63.100 -0.173 0.000 0.763 189 P CB 1.328 32.748 31.700 -0.468 0.000 0.816 190 A N 4.545 127.381 122.820 0.027 0.000 1.940 190 A HA -0.126 4.168 4.320 -0.043 0.000 0.219 190 A C 1.032 178.668 177.584 0.086 0.000 1.176 190 A CA 1.066 53.131 52.037 0.046 0.000 0.631 190 A CB -0.923 18.110 19.000 0.057 0.000 0.814 190 A HN 0.557 nan 8.150 nan 0.000 0.446 191 I N -0.537 120.147 120.570 0.190 0.000 2.474 191 I HA 0.087 4.232 4.170 -0.043 0.000 0.287 191 I C 1.381 177.673 176.117 0.291 0.000 1.048 191 I CA -0.067 61.387 61.300 0.256 0.000 1.383 191 I CB 1.391 39.581 38.000 0.317 0.000 1.412 191 I HN 0.261 nan 8.210 nan 0.000 0.531 192 K N 5.419 125.936 120.400 0.195 0.000 2.335 192 K HA 0.160 4.454 4.320 -0.043 0.000 0.195 192 K C 0.444 177.196 176.600 0.254 0.000 1.058 192 K CA 0.453 56.833 56.287 0.155 0.000 0.988 192 K CB 0.509 33.051 32.500 0.070 0.000 0.880 192 K HN 0.527 nan 8.250 nan 0.000 0.513 193 K N 0.802 121.331 120.400 0.214 0.000 2.464 193 K HA 0.425 4.720 4.320 -0.043 0.000 0.253 193 K C -1.585 175.036 176.600 0.035 0.000 0.933 193 K CA -0.686 55.698 56.287 0.161 0.000 0.801 193 K CB 1.595 34.144 32.500 0.082 0.000 1.271 193 K HN -0.022 nan 8.250 nan 0.000 0.430 194 I N 1.926 122.481 120.570 -0.025 0.000 2.619 194 I HA 0.292 4.436 4.170 -0.043 0.000 0.292 194 I C -1.038 175.034 176.117 -0.075 0.000 1.100 194 I CA -0.739 60.406 61.300 -0.259 0.000 1.043 194 I CB 2.727 40.312 38.000 -0.693 0.000 1.239 194 I HN 0.554 nan 8.210 nan 0.000 0.420 195 T N 5.357 119.804 114.554 -0.179 0.000 2.881 195 T HA 0.508 4.832 4.350 -0.043 0.000 0.291 195 T C -0.811 173.849 174.700 -0.067 0.000 0.990 195 T CA -0.369 61.739 62.100 0.015 0.000 0.976 195 T CB 0.580 69.440 68.868 -0.014 0.000 0.970 195 T HN 0.082 nan 8.240 nan 0.000 0.438 196 F N 2.881 122.926 119.950 0.159 0.000 2.391 196 F HA 0.423 4.924 4.527 -0.043 0.000 0.359 196 F C 0.797 176.741 175.800 0.240 0.000 1.122 196 F CA -1.106 57.011 58.000 0.195 0.000 1.120 196 F CB 0.553 39.705 39.000 0.254 0.000 1.142 196 F HN 0.370 nan 8.300 nan 0.000 0.483 197 N N 1.966 120.854 118.700 0.312 0.000 2.422 197 N HA 0.295 5.009 4.740 -0.043 0.000 0.264 197 N C -0.855 174.821 175.510 0.276 0.000 1.063 197 N CA -0.309 52.904 53.050 0.271 0.000 0.959 197 N CB 1.309 39.898 38.487 0.169 0.000 1.087 197 N HN 0.244 nan 8.380 nan 0.000 0.483 198 V N 4.503 124.568 119.914 0.252 0.000 2.415 198 V HA 0.191 4.286 4.120 -0.043 0.000 0.267 198 V C 0.153 176.328 176.094 0.134 0.000 1.042 198 V CA 0.095 62.517 62.300 0.203 0.000 1.000 198 V CB -0.726 31.190 31.823 0.155 0.000 1.015 198 V HN 0.538 nan 8.190 nan 0.000 0.478 199 I N 6.950 127.583 120.570 0.107 0.000 2.517 199 I HA 0.291 4.435 4.170 -0.043 0.000 0.280 199 I C -2.034 174.087 176.117 0.007 0.000 1.061 199 I CA -1.593 59.741 61.300 0.057 0.000 1.091 199 I CB 2.090 40.127 38.000 0.062 0.000 1.205 199 I HN 0.359 nan 8.210 nan 0.000 0.459 200 P HA -0.106 nan 4.420 nan 0.000 0.214 200 P C 0.325 177.589 177.300 -0.060 0.000 1.162 200 P CA 1.051 64.125 63.100 -0.043 0.000 0.879 200 P CB 0.200 31.883 31.700 -0.028 0.000 0.786 201 D N -1.148 119.229 120.400 -0.038 0.000 2.443 201 D HA -0.010 4.604 4.640 -0.043 0.000 0.239 201 D C -1.621 174.650 176.300 -0.050 0.000 1.136 201 D CA -1.247 52.728 54.000 -0.042 0.000 0.879 201 D CB 0.859 41.645 40.800 -0.023 0.000 1.195 201 D HN -0.016 nan 8.370 nan 0.000 0.443 202 P HA -0.000 nan 4.420 nan 0.000 0.219 202 P C 1.172 178.441 177.300 -0.050 0.000 1.154 202 P CA 0.875 63.931 63.100 -0.074 0.000 0.826 202 P CB 0.306 31.947 31.700 -0.097 0.000 0.795 203 T N -1.125 113.402 114.554 -0.046 0.000 2.833 203 T HA -0.103 4.221 4.350 -0.043 0.000 0.269 203 T C 1.675 176.378 174.700 0.004 0.000 1.054 203 T CA 1.815 63.895 62.100 -0.032 0.000 1.135 203 T CB -1.160 67.688 68.868 -0.033 0.000 0.869 203 T HN 0.161 nan 8.240 nan 0.000 0.466 204 T N 1.668 116.226 114.554 0.006 0.000 2.812 204 T HA -0.006 4.319 4.350 -0.043 0.000 0.264 204 T C 2.139 176.869 174.700 0.050 0.000 1.042 204 T CA 0.749 62.865 62.100 0.027 0.000 1.140 204 T CB -0.118 68.761 68.868 0.018 0.000 0.870 204 T HN 0.322 nan 8.240 nan 0.000 0.445 205 R N 0.835 121.358 120.500 0.039 0.000 2.120 205 R HA -0.003 4.311 4.340 -0.043 0.000 0.234 205 R C 2.741 179.118 176.300 0.129 0.000 1.123 205 R CA 1.217 57.356 56.100 0.065 0.000 0.975 205 R CB -0.404 29.909 30.300 0.022 0.000 0.866 205 R HN 0.365 nan 8.270 nan 0.000 0.446 206 A N 0.548 123.441 122.820 0.121 0.000 1.855 206 A HA -0.111 4.183 4.320 -0.043 0.000 0.215 206 A C 2.329 180.097 177.584 0.306 0.000 1.191 206 A CA 1.389 53.568 52.037 0.237 0.000 0.613 206 A CB -0.558 18.488 19.000 0.076 0.000 0.829 206 A HN 0.110 nan 8.150 nan 0.000 0.442 207 V N 0.117 120.140 119.914 0.182 0.000 2.343 207 V HA -0.259 3.835 4.120 -0.043 0.000 0.247 207 V C 3.060 179.226 176.094 0.120 0.000 1.051 207 V CA 1.894 64.285 62.300 0.152 0.000 1.036 207 V CB -1.454 30.423 31.823 0.090 0.000 0.654 207 V HN 0.622 nan 8.190 nan 0.000 0.451 208 A N -0.134 122.752 122.820 0.110 0.000 1.903 208 A HA -0.309 3.986 4.320 -0.043 0.000 0.219 208 A C 2.134 179.759 177.584 0.069 0.000 1.191 208 A CA 2.437 54.522 52.037 0.081 0.000 0.638 208 A CB -0.802 18.253 19.000 0.093 0.000 0.823 208 A HN 0.546 nan 8.150 nan 0.000 0.451 209 F N 0.900 120.845 119.950 -0.008 0.000 2.113 209 F HA -0.118 4.384 4.527 -0.042 0.000 0.297 209 F C 2.178 177.888 175.800 -0.151 0.000 1.103 209 F CA 2.065 60.007 58.000 -0.097 0.000 1.248 209 F CB -0.410 38.512 39.000 -0.131 0.000 0.999 209 F HN 0.377 nan 8.300 nan 0.000 0.475 210 E N -0.563 119.580 120.200 -0.095 0.000 2.219 210 E HA -0.233 4.092 4.350 -0.043 0.000 0.198 210 E C 2.025 178.550 176.600 -0.126 0.000 0.998 210 E CA 1.698 58.040 56.400 -0.097 0.000 0.818 210 E CB -0.441 29.351 29.700 0.153 0.000 0.741 210 E HN 0.576 nan 8.360 nan 0.000 0.477 211 T N -3.179 111.306 114.554 -0.115 0.000 3.035 211 T HA 0.095 4.419 4.350 -0.043 0.000 0.268 211 T C 1.656 176.268 174.700 -0.146 0.000 1.109 211 T CA 0.722 62.768 62.100 -0.090 0.000 1.119 211 T CB 0.285 69.123 68.868 -0.051 0.000 0.900 211 T HN 0.322 nan 8.240 nan 0.000 0.503 212 G N 1.254 109.892 108.800 -0.271 0.000 2.213 212 G HA2 -0.236 3.698 3.960 -0.043 0.000 0.236 212 G HA3 -0.236 3.698 3.960 -0.043 0.000 0.236 212 G C 0.574 175.342 174.900 -0.219 0.000 0.991 212 G CA 0.258 45.187 45.100 -0.286 0.000 0.629 212 G HN 0.519 nan 8.290 nan 0.000 0.517 213 D N 0.291 120.596 120.400 -0.159 0.000 2.348 213 D HA 0.112 4.726 4.640 -0.043 0.000 0.216 213 D C 1.037 177.292 176.300 -0.075 0.000 0.970 213 D CA 0.644 54.587 54.000 -0.095 0.000 0.889 213 D CB 0.330 41.097 40.800 -0.055 0.000 0.912 213 D HN 0.394 nan 8.370 nan 0.000 0.524 214 I N 1.357 121.869 120.570 -0.097 0.000 2.389 214 I HA 0.088 4.232 4.170 -0.043 0.000 0.288 214 I C 0.886 177.042 176.117 0.066 0.000 0.999 214 I CA -0.453 60.862 61.300 0.025 0.000 1.129 214 I CB 1.956 40.059 38.000 0.173 0.000 1.288 214 I HN -0.268 nan 8.210 nan 0.000 0.444 215 D N 5.082 125.525 120.400 0.071 0.000 2.194 215 D HA 0.107 4.721 4.640 -0.043 0.000 0.204 215 D C 0.516 176.941 176.300 0.208 0.000 0.964 215 D CA 1.201 55.263 54.000 0.103 0.000 0.846 215 D CB 1.378 42.198 40.800 0.033 0.000 0.962 215 D HN 0.318 nan 8.370 nan 0.000 0.490 216 L N -0.088 121.235 121.223 0.166 0.000 2.540 216 L HA 0.411 4.726 4.340 -0.043 0.000 0.256 216 L C -1.946 174.974 176.870 0.084 0.000 1.001 216 L CA -0.605 54.307 54.840 0.119 0.000 0.843 216 L CB 2.526 44.653 42.059 0.113 0.000 1.436 216 L HN -0.219 nan 8.230 nan 0.000 0.410 217 L N 2.964 124.202 121.223 0.025 0.000 2.482 217 L HA 0.439 4.753 4.340 -0.043 0.000 0.269 217 L C -1.847 175.071 176.870 0.080 0.000 0.967 217 L CA -0.398 54.463 54.840 0.034 0.000 0.851 217 L CB 2.117 44.132 42.059 -0.074 0.000 1.242 217 L HN 0.498 nan 8.230 nan 0.000 0.404 218 Y N 2.773 123.078 120.300 0.008 0.000 2.346 218 Y HA 0.768 5.292 4.550 -0.042 0.000 0.332 218 Y C 0.144 176.089 175.900 0.075 0.000 0.985 218 Y CA -0.187 57.916 58.100 0.006 0.000 1.112 218 Y CB 2.072 40.493 38.460 -0.065 0.000 1.170 218 Y HN 0.615 nan 8.280 nan 0.000 0.447 219 G N 3.783 112.670 108.800 0.144 0.000 2.428 219 G HA2 0.175 4.110 3.960 -0.043 0.000 0.305 219 G HA3 0.175 4.110 3.960 -0.043 0.000 0.305 219 G C -1.612 173.267 174.900 -0.034 0.000 1.260 219 G CA -0.786 44.382 45.100 0.115 0.000 0.853 219 G HN 0.714 nan 8.290 nan 0.000 0.480 220 N N -0.950 117.709 118.700 -0.069 0.000 2.786 220 N HA 0.334 5.048 4.740 -0.043 0.000 0.315 220 N C 1.015 176.424 175.510 -0.169 0.000 1.359 220 N CA 0.292 53.280 53.050 -0.104 0.000 0.846 220 N CB -0.114 38.343 38.487 -0.050 0.000 1.117 220 N HN 0.532 nan 8.380 nan 0.000 0.541 221 E N -1.571 118.539 120.200 -0.150 0.000 2.333 221 E HA -0.002 4.322 4.350 -0.043 0.000 0.200 221 E C 1.426 177.921 176.600 -0.175 0.000 1.010 221 E CA 1.458 57.756 56.400 -0.170 0.000 0.841 221 E CB -0.771 28.857 29.700 -0.120 0.000 0.757 221 E HN 0.723 nan 8.360 nan 0.000 0.508 222 G N 0.295 108.997 108.800 -0.164 0.000 2.939 222 G HA2 -0.024 3.911 3.960 -0.043 0.000 0.210 222 G HA3 -0.024 3.911 3.960 -0.043 0.000 0.210 222 G C 1.184 175.971 174.900 -0.188 0.000 1.160 222 G CA 0.001 45.001 45.100 -0.166 0.000 0.770 222 G HN 0.144 nan 8.290 nan 0.000 0.543 223 L N 0.537 121.635 121.223 -0.209 0.000 2.012 223 L HA -0.081 4.233 4.340 -0.043 0.000 0.236 223 L C 1.049 177.823 176.870 -0.161 0.000 1.099 223 L CA 2.059 56.780 54.840 -0.199 0.000 0.821 223 L CB -0.428 41.507 42.059 -0.206 0.000 0.918 223 L HN 0.241 nan 8.230 nan 0.000 0.445 224 L N -5.619 115.509 121.223 -0.159 0.000 2.322 224 L HA 0.597 4.911 4.340 -0.043 0.000 0.252 224 L C -2.699 174.082 176.870 -0.149 0.000 1.055 224 L CA -1.985 52.780 54.840 -0.125 0.000 0.849 224 L CB -0.304 41.708 42.059 -0.079 0.000 1.446 224 L HN -0.104 nan 8.230 nan 0.000 0.416 225 P HA 0.210 nan 4.420 nan 0.000 0.262 225 P C 1.107 178.296 177.300 -0.185 0.000 1.182 225 P CA 0.129 63.130 63.100 -0.165 0.000 0.761 225 P CB 0.584 32.180 31.700 -0.174 0.000 0.795 226 L N 2.180 123.298 121.223 -0.174 0.000 2.265 226 L HA -0.165 4.149 4.340 -0.043 0.000 0.215 226 L C 1.909 178.583 176.870 -0.326 0.000 1.117 226 L CA 1.405 56.157 54.840 -0.147 0.000 0.782 226 L CB -0.611 41.411 42.059 -0.061 0.000 0.914 226 L HN 0.489 nan 8.230 nan 0.000 0.441 227 D N -1.845 118.186 120.400 -0.615 0.000 2.213 227 D HA -0.126 4.488 4.640 -0.043 0.000 0.205 227 D C 1.824 177.807 176.300 -0.528 0.000 0.961 227 D CA 1.248 54.615 54.000 -1.055 0.000 0.853 227 D CB -0.433 39.746 40.800 -1.035 0.000 0.967 227 D HN 0.124 nan 8.370 nan 0.000 0.496 228 T N 0.232 114.539 114.554 -0.411 0.000 2.857 228 T HA -0.054 4.271 4.350 -0.043 0.000 0.266 228 T C 1.410 175.776 174.700 -0.556 0.000 1.048 228 T CA 0.604 62.403 62.100 -0.502 0.000 1.139 228 T CB -0.525 68.004 68.868 -0.566 0.000 0.874 228 T HN 0.151 nan 8.240 nan 0.000 0.455 229 F N 2.394 122.070 119.950 -0.456 0.000 2.171 229 F HA 0.018 4.519 4.527 -0.043 0.000 0.300 229 F C 2.367 178.111 175.800 -0.093 0.000 1.090 229 F CA 0.892 58.754 58.000 -0.230 0.000 1.293 229 F CB -0.548 38.352 39.000 -0.166 0.000 1.013 229 F HN 0.138 nan 8.300 nan 0.000 0.486 230 A N 0.313 123.048 122.820 -0.141 0.000 1.969 230 A HA -0.128 4.167 4.320 -0.043 0.000 0.218 230 A C 2.270 179.786 177.584 -0.113 0.000 1.169 230 A CA 1.193 53.156 52.037 -0.124 0.000 0.635 230 A CB -0.558 18.454 19.000 0.020 0.000 0.810 230 A HN 0.278 nan 8.150 nan 0.000 0.445 231 R N -1.065 119.366 120.500 -0.114 0.000 2.073 231 R HA 0.008 4.323 4.340 -0.043 0.000 0.229 231 R C 1.730 178.108 176.300 0.130 0.000 1.120 231 R CA 0.847 56.941 56.100 -0.010 0.000 0.967 231 R CB -0.975 29.311 30.300 -0.023 0.000 0.862 231 R HN 0.524 nan 8.270 nan 0.000 0.436 232 F N 1.186 121.083 119.950 -0.089 0.000 2.161 232 F HA -0.163 4.339 4.527 -0.042 0.000 0.300 232 F C 2.438 178.161 175.800 -0.129 0.000 1.089 232 F CA 1.552 59.546 58.000 -0.011 0.000 1.282 232 F CB -1.236 37.763 39.000 -0.002 0.000 1.010 232 F HN 0.102 nan 8.300 nan 0.000 0.485 233 S N -1.040 114.567 115.700 -0.156 0.000 2.507 233 S HA -0.168 4.277 4.470 -0.043 0.000 0.235 233 S C 1.690 176.228 174.600 -0.103 0.000 0.988 233 S CA 0.765 58.822 58.200 -0.238 0.000 0.944 233 S CB -0.479 62.470 63.200 -0.419 0.000 0.762 233 S HN 0.498 nan 8.310 nan 0.000 0.526 234 Q N 0.889 120.656 119.800 -0.054 0.000 2.408 234 Q HA 0.242 4.556 4.340 -0.043 0.000 0.205 234 Q C 0.040 176.013 176.000 -0.045 0.000 0.919 234 Q CA -0.170 55.611 55.803 -0.036 0.000 0.932 234 Q CB 0.171 28.898 28.738 -0.018 0.000 1.058 234 Q HN 0.446 nan 8.270 nan 0.000 0.517 235 N N 0.971 119.635 118.700 -0.060 0.000 2.401 235 N HA 0.054 4.769 4.740 -0.043 0.000 0.255 235 N C -2.139 173.280 175.510 -0.151 0.000 1.110 235 N CA -1.516 51.435 53.050 -0.164 0.000 0.949 235 N CB 1.396 39.669 38.487 -0.357 0.000 1.110 235 N HN -0.054 nan 8.380 nan 0.000 0.490 236 P HA -0.069 nan 4.420 nan 0.000 0.221 236 P C 0.383 177.645 177.300 -0.062 0.000 1.145 236 P CA 0.934 63.991 63.100 -0.072 0.000 0.795 236 P CB 0.343 32.004 31.700 -0.065 0.000 0.775 237 A N -3.331 119.398 122.820 -0.152 0.000 2.238 237 A HA 0.105 4.399 4.320 -0.043 0.000 0.210 237 A C 0.382 178.072 177.584 0.176 0.000 1.179 237 A CA 0.450 52.447 52.037 -0.067 0.000 0.827 237 A CB -0.442 18.463 19.000 -0.158 0.000 0.856 237 A HN 0.019 nan 8.150 nan 0.000 0.488 238 Y N -1.318 118.990 120.300 0.013 0.000 2.654 238 Y HA 0.646 5.170 4.550 -0.043 0.000 0.328 238 Y C 0.131 176.087 175.900 0.094 0.000 1.174 238 Y CA -1.898 56.239 58.100 0.062 0.000 1.293 238 Y CB 0.364 38.798 38.460 -0.044 0.000 1.464 238 Y HN 0.320 nan 8.280 nan 0.000 0.559 239 H N -0.534 118.633 119.070 0.161 0.000 2.856 239 H HA 0.594 5.124 4.556 -0.042 0.000 0.355 239 H C -1.214 174.114 175.328 -0.000 0.000 1.079 239 H CA -0.532 55.550 56.048 0.056 0.000 1.240 239 H CB 1.520 31.309 29.762 0.046 0.000 1.701 239 H HN 0.669 nan 8.280 nan 0.000 0.527 240 T N 2.091 116.246 114.554 -0.663 0.000 2.883 240 T HA 0.675 5.000 4.350 -0.043 0.000 0.296 240 T C -0.996 173.452 174.700 -0.420 0.000 1.117 240 T CA -1.059 60.793 62.100 -0.412 0.000 1.006 240 T CB 2.331 70.953 68.868 -0.410 0.000 1.191 240 T HN 0.633 nan 8.240 nan 0.000 0.508 241 Q N 0.481 120.268 119.800 -0.022 0.000 2.352 241 Q HA 0.490 4.805 4.340 -0.043 0.000 0.270 241 Q C -1.790 174.342 176.000 0.221 0.000 1.006 241 Q CA -0.688 55.157 55.803 0.070 0.000 0.880 241 Q CB 2.978 31.747 28.738 0.052 0.000 1.392 241 Q HN 0.611 nan 8.270 nan 0.000 0.401 242 L N 2.650 123.986 121.223 0.188 0.000 2.345 242 L HA 0.410 4.725 4.340 -0.043 0.000 0.274 242 L C 0.166 177.055 176.870 0.032 0.000 0.999 242 L CA -0.405 54.496 54.840 0.101 0.000 0.849 242 L CB 1.599 43.745 42.059 0.146 0.000 1.220 242 L HN 0.832 nan 8.230 nan 0.000 0.422 243 S N 3.384 119.027 115.700 -0.094 0.000 2.606 243 S HA 0.264 4.708 4.470 -0.043 0.000 0.257 243 S C 0.017 174.517 174.600 -0.166 0.000 1.327 243 S CA -0.531 57.506 58.200 -0.272 0.000 0.984 243 S CB 0.919 63.634 63.200 -0.809 0.000 0.941 243 S HN 0.635 nan 8.310 nan 0.000 0.576 244 Q N 0.709 120.413 119.800 -0.161 0.000 2.317 244 Q HA 0.356 4.670 4.340 -0.043 0.000 0.229 244 Q C -2.357 173.576 176.000 -0.113 0.000 0.984 244 Q CA -1.972 53.774 55.803 -0.095 0.000 0.911 244 Q CB -0.176 28.521 28.738 -0.069 0.000 1.217 244 Q HN 0.473 nan 8.270 nan 0.000 0.501 245 P HA -0.137 nan 4.420 nan 0.000 0.264 245 P C -0.138 177.117 177.300 -0.075 0.000 1.179 245 P CA 0.976 64.046 63.100 -0.050 0.000 0.763 245 P CB 0.268 31.957 31.700 -0.018 0.000 0.806 246 I N -0.222 120.317 120.570 -0.052 0.000 4.624 246 I HA 0.375 4.520 4.170 -0.043 0.000 0.327 246 I C 0.273 176.388 176.117 -0.004 0.000 1.295 246 I CA 0.044 61.321 61.300 -0.038 0.000 1.267 246 I CB 0.404 38.380 38.000 -0.040 0.000 1.249 246 I HN 0.294 nan 8.210 nan 0.000 0.440 247 E N 1.352 121.558 120.200 0.009 0.000 2.409 247 E HA 0.289 4.614 4.350 -0.043 0.000 0.280 247 E C -1.291 175.338 176.600 0.048 0.000 1.079 247 E CA -0.720 55.688 56.400 0.012 0.000 0.840 247 E CB 1.737 31.442 29.700 0.008 0.000 1.309 247 E HN -0.000 nan 8.360 nan 0.000 0.447 248 T N -0.412 114.143 114.554 0.002 0.000 2.895 248 T HA 0.515 4.840 4.350 -0.043 0.000 0.283 248 T C -0.918 173.716 174.700 -0.110 0.000 1.014 248 T CA -0.514 61.609 62.100 0.038 0.000 1.037 248 T CB 1.524 70.486 68.868 0.157 0.000 1.006 248 T HN 0.531 nan 8.240 nan 0.000 0.468 249 V N 7.317 127.181 119.914 -0.084 0.000 2.513 249 V HA 0.882 4.976 4.120 -0.043 0.000 0.299 249 V C -0.579 175.474 176.094 -0.069 0.000 1.035 249 V CA -0.718 61.549 62.300 -0.055 0.000 0.889 249 V CB 1.202 33.030 31.823 0.008 0.000 0.988 249 V HN 1.146 nan 8.190 nan 0.000 0.440 250 M N 5.895 125.477 119.600 -0.030 0.000 3.331 250 M HA 0.558 5.013 4.480 -0.043 0.000 0.281 250 M C -2.233 174.051 176.300 -0.028 0.000 1.338 250 M CA -0.709 54.564 55.300 -0.044 0.000 0.827 250 M CB 1.637 34.199 32.600 -0.064 0.000 1.674 250 M HN 0.480 nan 8.290 nan 0.000 0.477 251 L N 1.307 122.481 121.223 -0.082 0.000 2.344 251 L HA 0.885 5.199 4.340 -0.043 0.000 0.272 251 L C -0.069 176.822 176.870 0.034 0.000 1.035 251 L CA -0.925 53.823 54.840 -0.155 0.000 0.807 251 L CB 1.813 43.706 42.059 -0.277 0.000 1.237 251 L HN 0.938 nan 8.230 nan 0.000 0.442 252 A N 2.808 125.625 122.820 -0.006 0.000 2.318 252 A HA 0.709 5.004 4.320 -0.043 0.000 0.317 252 A C -0.976 176.580 177.584 -0.047 0.000 1.159 252 A CA -0.494 51.545 52.037 0.004 0.000 0.799 252 A CB 0.843 19.845 19.000 0.003 0.000 1.194 252 A HN 0.420 nan 8.150 nan 0.000 0.479 253 L N 1.783 122.952 121.223 -0.089 0.000 2.334 253 L HA 0.340 4.654 4.340 -0.043 0.000 0.277 253 L C 0.717 177.604 176.870 0.028 0.000 1.075 253 L CA -0.051 54.772 54.840 -0.030 0.000 0.804 253 L CB 0.986 42.982 42.059 -0.105 0.000 1.174 253 L HN 0.812 nan 8.230 nan 0.000 0.438 254 N N 0.092 118.841 118.700 0.082 0.000 2.482 254 N HA 0.052 4.766 4.740 -0.043 0.000 0.242 254 N C 1.037 176.495 175.510 -0.087 0.000 1.100 254 N CA 0.098 53.133 53.050 -0.024 0.000 0.946 254 N CB 0.635 39.019 38.487 -0.170 0.000 1.227 254 N HN 0.838 nan 8.380 nan 0.000 0.508 255 T N 0.167 114.661 114.554 -0.101 0.000 2.867 255 T HA -0.112 4.212 4.350 -0.043 0.000 0.268 255 T C 1.326 175.974 174.700 -0.087 0.000 1.057 255 T CA 0.754 62.797 62.100 -0.096 0.000 1.136 255 T CB -0.067 68.735 68.868 -0.109 0.000 0.874 255 T HN 0.382 nan 8.240 nan 0.000 0.466 256 A N 0.737 123.493 122.820 -0.107 0.000 2.503 256 A HA 0.502 4.797 4.320 -0.043 0.000 0.263 256 A C 0.489 178.018 177.584 -0.092 0.000 1.360 256 A CA -0.466 51.516 52.037 -0.092 0.000 0.969 256 A CB -0.498 18.444 19.000 -0.097 0.000 1.000 256 A HN 0.561 nan 8.150 nan 0.000 0.530 257 K N -0.415 119.935 120.400 -0.083 0.000 2.572 257 K HA 0.562 4.857 4.320 -0.043 0.000 0.263 257 K C -0.904 175.676 176.600 -0.033 0.000 0.932 257 K CA -0.498 55.747 56.287 -0.069 0.000 0.838 257 K CB 1.604 34.033 32.500 -0.117 0.000 1.366 257 K HN 0.212 nan 8.250 nan 0.000 0.425 258 A N 3.647 126.468 122.820 0.001 0.000 2.388 258 A HA 0.370 4.664 4.320 -0.043 0.000 0.257 258 A C -1.779 175.821 177.584 0.026 0.000 1.095 258 A CA -0.976 51.088 52.037 0.046 0.000 0.791 258 A CB 0.067 19.123 19.000 0.093 0.000 1.029 258 A HN 0.656 nan 8.150 nan 0.000 0.489 259 P HA 0.021 nan 4.420 nan 0.000 0.261 259 P C 0.804 178.070 177.300 -0.056 0.000 1.268 259 P CA 0.712 63.816 63.100 0.007 0.000 0.833 259 P CB -0.094 31.475 31.700 -0.217 0.000 1.231 260 T N -2.012 112.503 114.554 -0.065 0.000 3.308 260 T HA -0.054 4.271 4.350 -0.043 0.000 0.255 260 T C 1.267 175.934 174.700 -0.055 0.000 1.162 260 T CA 0.223 62.279 62.100 -0.074 0.000 1.031 260 T CB -1.085 67.745 68.868 -0.062 0.000 0.973 260 T HN 0.154 nan 8.240 nan 0.000 0.544 261 N N 0.896 119.582 118.700 -0.023 0.000 2.353 261 N HA -0.012 4.703 4.740 -0.043 0.000 0.185 261 N C -0.053 175.458 175.510 0.003 0.000 1.098 261 N CA -0.062 52.978 53.050 -0.016 0.000 0.872 261 N CB 0.112 38.599 38.487 0.001 0.000 0.970 261 N HN 0.550 nan 8.380 nan 0.000 0.467 262 E N 0.727 120.938 120.200 0.018 0.000 2.134 262 E HA 0.118 4.442 4.350 -0.043 0.000 0.278 262 E C 0.574 177.171 176.600 -0.004 0.000 0.959 262 E CA -0.579 55.845 56.400 0.040 0.000 0.783 262 E CB 2.212 31.990 29.700 0.131 0.000 1.095 262 E HN -0.042 nan 8.360 nan 0.000 0.399 263 L N 4.210 125.430 121.223 -0.005 0.000 2.081 263 L HA -0.252 4.063 4.340 -0.043 0.000 0.212 263 L C 1.988 178.843 176.870 -0.025 0.000 1.080 263 L CA 2.481 57.305 54.840 -0.026 0.000 0.754 263 L CB -0.499 41.552 42.059 -0.014 0.000 0.893 263 L HN 0.710 nan 8.230 nan 0.000 0.433 264 A N -1.086 121.740 122.820 0.010 0.000 1.883 264 A HA -0.177 4.118 4.320 -0.043 0.000 0.217 264 A C 2.250 179.815 177.584 -0.031 0.000 1.186 264 A CA 2.256 54.306 52.037 0.021 0.000 0.624 264 A CB -1.194 17.850 19.000 0.074 0.000 0.822 264 A HN 0.330 nan 8.150 nan 0.000 0.444 265 V N 0.069 119.936 119.914 -0.079 0.000 2.343 265 V HA -0.265 3.829 4.120 -0.043 0.000 0.247 265 V C 2.622 178.623 176.094 -0.155 0.000 1.051 265 V CA 2.177 64.367 62.300 -0.184 0.000 1.036 265 V CB -0.882 30.765 31.823 -0.293 0.000 0.654 265 V HN 0.506 nan 8.190 nan 0.000 0.451 266 R N -0.061 120.360 120.500 -0.130 0.000 2.096 266 R HA -0.152 4.163 4.340 -0.043 0.000 0.235 266 R C 2.310 178.501 176.300 -0.182 0.000 1.127 266 R CA 1.612 57.625 56.100 -0.146 0.000 0.968 266 R CB -0.280 29.941 30.300 -0.132 0.000 0.861 266 R HN 0.642 nan 8.270 nan 0.000 0.440 267 E N 0.611 120.710 120.200 -0.169 0.000 2.072 267 E HA -0.126 4.198 4.350 -0.043 0.000 0.191 267 E C 2.037 178.457 176.600 -0.301 0.000 0.985 267 E CA 1.045 57.285 56.400 -0.267 0.000 0.801 267 E CB -0.099 29.535 29.700 -0.111 0.000 0.750 267 E HN 0.319 nan 8.360 nan 0.000 0.452 268 A N 1.172 123.942 122.820 -0.084 0.000 2.019 268 A HA -0.136 4.159 4.320 -0.043 0.000 0.219 268 A C 2.148 179.695 177.584 -0.063 0.000 1.164 268 A CA 0.959 53.003 52.037 0.012 0.000 0.644 268 A CB -0.534 18.462 19.000 -0.006 0.000 0.805 268 A HN 0.127 nan 8.150 nan 0.000 0.449 269 L N -0.469 120.675 121.223 -0.132 0.000 2.217 269 L HA -0.122 4.192 4.340 -0.043 0.000 0.211 269 L C 2.329 179.119 176.870 -0.132 0.000 1.107 269 L CA 0.786 55.553 54.840 -0.123 0.000 0.783 269 L CB -0.454 41.522 42.059 -0.138 0.000 0.919 269 L HN 0.420 nan 8.230 nan 0.000 0.442 270 N N -0.636 117.926 118.700 -0.231 0.000 2.207 270 N HA -0.130 4.584 4.740 -0.043 0.000 0.182 270 N C 1.728 177.127 175.510 -0.185 0.000 1.020 270 N CA 1.188 54.074 53.050 -0.273 0.000 0.858 270 N CB 0.061 38.279 38.487 -0.448 0.000 0.991 270 N HN 0.294 nan 8.380 nan 0.000 0.427 271 Y N 0.827 121.101 120.300 -0.044 0.000 2.561 271 Y HA 0.162 4.708 4.550 -0.007 0.000 0.291 271 Y C 2.164 178.018 175.900 -0.078 0.000 1.141 271 Y CA 0.087 58.153 58.100 -0.056 0.000 1.303 271 Y CB -0.422 37.988 38.460 -0.084 0.000 1.015 271 Y HN 0.037 nan 8.280 nan 0.000 0.547 272 A N -0.479 122.390 122.820 0.082 0.000 2.030 272 A HA 0.144 4.439 4.320 -0.043 0.000 0.215 272 A C 0.900 178.592 177.584 0.180 0.000 1.164 272 A CA 0.212 52.284 52.037 0.057 0.000 0.697 272 A CB -0.507 18.505 19.000 0.019 0.000 0.827 272 A HN 0.032 nan 8.150 nan 0.000 0.457 273 V N 1.600 121.603 119.914 0.147 0.000 2.530 273 V HA 0.081 4.176 4.120 -0.043 0.000 0.282 273 V C 0.271 176.492 176.094 0.212 0.000 1.048 273 V CA -0.465 61.917 62.300 0.137 0.000 0.997 273 V CB 0.921 32.758 31.823 0.023 0.000 0.987 273 V HN 0.555 nan 8.190 nan 0.000 0.477 274 N N 3.526 122.256 118.700 0.050 0.000 2.645 274 N HA 0.175 4.889 4.740 -0.043 0.000 0.233 274 N C 0.874 176.303 175.510 -0.135 0.000 1.058 274 N CA -0.567 52.351 53.050 -0.221 0.000 0.942 274 N CB 0.472 38.520 38.487 -0.731 0.000 1.210 274 N HN 0.523 nan 8.380 nan 0.000 0.512 275 K N 2.473 122.835 120.400 -0.064 0.000 1.987 275 K HA -0.198 4.096 4.320 -0.043 0.000 0.216 275 K C 1.533 178.080 176.600 -0.088 0.000 1.051 275 K CA 1.803 58.049 56.287 -0.069 0.000 0.942 275 K CB 0.113 32.578 32.500 -0.058 0.000 0.722 275 K HN 0.471 nan 8.250 nan 0.000 0.444 276 K N -0.207 120.137 120.400 -0.093 0.000 2.001 276 K HA -0.201 4.094 4.320 -0.043 0.000 0.214 276 K C 2.387 178.922 176.600 -0.108 0.000 1.050 276 K CA 1.831 58.062 56.287 -0.093 0.000 0.934 276 K CB -0.670 31.779 32.500 -0.086 0.000 0.718 276 K HN 0.090 nan 8.250 nan 0.000 0.443 277 S N 1.301 116.914 115.700 -0.145 0.000 2.387 277 S HA -0.148 4.297 4.470 -0.043 0.000 0.230 277 S C 1.893 176.430 174.600 -0.104 0.000 1.035 277 S CA 1.026 59.143 58.200 -0.139 0.000 1.014 277 S CB -0.248 62.840 63.200 -0.186 0.000 0.836 277 S HN 0.342 nan 8.310 nan 0.000 0.466 278 L N 0.761 121.925 121.223 -0.097 0.000 2.005 278 L HA -0.066 4.249 4.340 -0.043 0.000 0.207 278 L C 2.135 178.971 176.870 -0.056 0.000 1.072 278 L CA 1.353 56.153 54.840 -0.067 0.000 0.744 278 L CB -0.369 41.657 42.059 -0.056 0.000 0.895 278 L HN 0.311 nan 8.230 nan 0.000 0.433 279 I N 0.286 120.818 120.570 -0.062 0.000 2.127 279 I HA -0.314 3.831 4.170 -0.043 0.000 0.241 279 I C 2.252 178.338 176.117 -0.052 0.000 1.075 279 I CA 1.553 62.821 61.300 -0.054 0.000 1.334 279 I CB -1.584 36.379 38.000 -0.062 0.000 1.040 279 I HN 0.360 nan 8.210 nan 0.000 0.405 280 D N 0.533 120.888 120.400 -0.074 0.000 2.144 280 D HA -0.202 4.412 4.640 -0.043 0.000 0.199 280 D C 1.961 178.201 176.300 -0.100 0.000 0.984 280 D CA 1.411 55.350 54.000 -0.102 0.000 0.834 280 D CB -0.406 40.324 40.800 -0.116 0.000 0.955 280 D HN 0.371 nan 8.370 nan 0.000 0.465 281 N N 0.209 118.867 118.700 -0.070 0.000 2.290 281 N HA -0.032 4.682 4.740 -0.043 0.000 0.179 281 N C 1.395 176.906 175.510 0.001 0.000 1.016 281 N CA 1.440 54.464 53.050 -0.042 0.000 0.871 281 N CB 0.087 38.546 38.487 -0.047 0.000 0.987 281 N HN 0.050 nan 8.380 nan 0.000 0.431 282 A N -0.486 122.330 122.820 -0.007 0.000 2.014 282 A HA 0.309 4.603 4.320 -0.043 0.000 0.210 282 A C 1.646 179.240 177.584 0.018 0.000 1.188 282 A CA 0.196 52.233 52.037 -0.001 0.000 0.731 282 A CB -0.032 18.953 19.000 -0.025 0.000 0.858 282 A HN 0.281 nan 8.150 nan 0.000 0.464 283 L N -2.155 119.081 121.223 0.022 0.000 2.700 283 L HA 0.228 4.543 4.340 -0.043 0.000 0.234 283 L C 0.345 177.291 176.870 0.128 0.000 1.156 283 L CA -0.177 54.685 54.840 0.036 0.000 0.946 283 L CB -0.020 42.036 42.059 -0.004 0.000 1.216 283 L HN 0.525 nan 8.230 nan 0.000 0.493 284 Y N 1.221 121.499 120.300 -0.038 0.000 3.825 284 Y HA -0.347 4.178 4.550 -0.041 0.000 0.221 284 Y C 1.346 177.238 175.900 -0.014 0.000 1.195 284 Y CA 0.499 58.585 58.100 -0.024 0.000 1.699 284 Y CB -1.209 37.242 38.460 -0.015 0.000 1.531 284 Y HN 0.430 nan 8.280 nan 0.000 0.640 285 G N -0.679 108.094 108.800 -0.046 0.000 2.205 285 G HA2 -0.461 3.473 3.960 -0.043 0.000 0.269 285 G HA3 -0.461 3.473 3.960 -0.043 0.000 0.269 285 G C 0.965 175.877 174.900 0.020 0.000 0.977 285 G CA 1.284 46.352 45.100 -0.052 0.000 0.652 285 G HN 1.296 nan 8.290 nan 0.000 0.539 286 T N -3.021 111.582 114.554 0.082 0.000 3.055 286 T HA 0.334 4.659 4.350 -0.043 0.000 0.265 286 T C 1.018 175.741 174.700 0.038 0.000 1.111 286 T CA 1.559 63.716 62.100 0.095 0.000 1.118 286 T CB 0.242 69.191 68.868 0.135 0.000 0.909 286 T HN 0.487 nan 8.240 nan 0.000 0.501 287 Q N 1.061 120.869 119.800 0.014 0.000 2.572 287 Q HA 0.482 4.796 4.340 -0.043 0.000 0.284 287 Q C -0.718 175.283 176.000 0.001 0.000 1.091 287 Q CA -0.854 54.949 55.803 -0.000 0.000 0.840 287 Q CB 1.477 30.203 28.738 -0.021 0.000 1.433 287 Q HN 0.688 nan 8.270 nan 0.000 0.471 288 Q N -0.959 118.850 119.800 0.014 0.000 2.348 288 Q HA 0.672 4.987 4.340 -0.043 0.000 0.271 288 Q C -0.474 175.486 176.000 -0.068 0.000 1.067 288 Q CA -0.952 54.859 55.803 0.014 0.000 0.839 288 Q CB 1.480 30.270 28.738 0.085 0.000 1.354 288 Q HN 0.231 nan 8.270 nan 0.000 0.447 289 V N 1.120 120.987 119.914 -0.079 0.000 2.763 289 V HA 0.328 4.422 4.120 -0.043 0.000 0.306 289 V C -0.064 175.822 176.094 -0.347 0.000 1.059 289 V CA 0.302 62.503 62.300 -0.165 0.000 1.138 289 V CB 0.922 32.694 31.823 -0.084 0.000 0.940 289 V HN 0.871 nan 8.190 nan 0.000 0.489 290 A N 3.321 125.818 122.820 -0.539 0.000 2.318 290 A HA 0.595 4.890 4.320 -0.043 0.000 0.317 290 A C 0.235 177.655 177.584 -0.274 0.000 1.159 290 A CA -0.579 50.937 52.037 -0.868 0.000 0.799 290 A CB 0.780 19.002 19.000 -1.297 0.000 1.194 290 A HN 0.822 nan 8.150 nan 0.000 0.479 291 D N 0.863 121.240 120.400 -0.039 0.000 2.324 291 D HA 0.065 4.680 4.640 -0.043 0.000 0.212 291 D C 0.762 177.147 176.300 0.141 0.000 0.984 291 D CA 1.784 55.822 54.000 0.064 0.000 0.885 291 D CB 0.462 41.326 40.800 0.107 0.000 0.996 291 D HN 0.669 nan 8.370 nan 0.000 0.505 292 T N -1.039 113.620 114.554 0.175 0.000 2.924 292 T HA 0.312 4.636 4.350 -0.043 0.000 0.291 292 T C 1.092 175.853 174.700 0.102 0.000 1.045 292 T CA -0.814 61.393 62.100 0.178 0.000 1.015 292 T CB 2.373 71.291 68.868 0.083 0.000 1.103 292 T HN -0.179 nan 8.240 nan 0.000 0.496 293 L N 0.618 121.831 121.223 -0.016 0.000 2.010 293 L HA 0.112 4.426 4.340 -0.043 0.000 0.219 293 L C 0.049 176.654 176.870 -0.443 0.000 1.077 293 L CA 1.761 56.383 54.840 -0.364 0.000 0.773 293 L CB -0.903 40.832 42.059 -0.540 0.000 0.892 293 L HN 0.730 nan 8.230 nan 0.000 0.436 294 F N -1.019 118.910 119.950 -0.036 0.000 2.507 294 F HA 0.625 5.126 4.527 -0.043 0.000 0.327 294 F C 0.763 176.496 175.800 -0.111 0.000 1.068 294 F CA -0.832 57.111 58.000 -0.096 0.000 0.965 294 F CB 0.876 39.802 39.000 -0.124 0.000 1.192 294 F HN 0.008 nan 8.300 nan 0.000 0.476 295 A N 2.491 125.222 122.820 -0.148 0.000 2.366 295 A HA 0.359 4.654 4.320 -0.043 0.000 0.249 295 A C -1.963 175.512 177.584 -0.181 0.000 1.084 295 A CA -1.225 50.532 52.037 -0.466 0.000 0.794 295 A CB -0.041 18.376 19.000 -0.971 0.000 1.034 295 A HN 0.597 nan 8.150 nan 0.000 0.491 296 P HA -0.078 nan 4.420 nan 0.000 0.230 296 P C 1.139 178.370 177.300 -0.115 0.000 1.158 296 P CA 1.558 64.606 63.100 -0.087 0.000 0.769 296 P CB 0.143 31.810 31.700 -0.054 0.000 0.807 297 S N -2.348 113.259 115.700 -0.155 0.000 2.593 297 S HA 0.068 4.512 4.470 -0.043 0.000 0.217 297 S C 0.678 175.181 174.600 -0.163 0.000 0.966 297 S CA -0.183 57.929 58.200 -0.147 0.000 0.914 297 S CB -0.816 62.296 63.200 -0.146 0.000 0.776 297 S HN -0.145 nan 8.310 nan 0.000 0.523 298 V N 5.030 124.834 119.914 -0.182 0.000 2.461 298 V HA 0.325 4.420 4.120 -0.043 0.000 0.275 298 V C -2.086 173.852 176.094 -0.260 0.000 1.047 298 V CA -2.229 59.935 62.300 -0.226 0.000 0.955 298 V CB 0.765 32.416 31.823 -0.287 0.000 0.988 298 V HN 0.287 nan 8.190 nan 0.000 0.471 299 P HA -0.102 nan 4.420 nan 0.000 0.261 299 P C -0.267 176.755 177.300 -0.464 0.000 1.165 299 P CA 0.736 63.569 63.100 -0.446 0.000 0.759 299 P CB 0.075 31.494 31.700 -0.469 0.000 0.772 300 Y N 0.314 120.454 120.300 -0.268 0.000 4.545 300 Y HA -0.308 4.216 4.550 -0.043 0.000 0.306 300 Y C 1.846 177.619 175.900 -0.212 0.000 1.060 300 Y CA 1.454 59.378 58.100 -0.295 0.000 1.834 300 Y CB -2.749 35.277 38.460 -0.723 0.000 1.008 300 Y HN 0.508 nan 8.280 nan 0.000 0.436 301 A N -0.194 122.566 122.820 -0.099 0.000 2.275 301 A HA 0.179 4.473 4.320 -0.043 0.000 0.212 301 A C 0.995 178.572 177.584 -0.013 0.000 1.201 301 A CA 0.561 52.580 52.037 -0.031 0.000 0.843 301 A CB -0.300 18.675 19.000 -0.041 0.000 0.873 301 A HN 0.403 nan 8.150 nan 0.000 0.492 302 N N 0.802 119.479 118.700 -0.037 0.000 2.671 302 N HA 0.296 5.010 4.740 -0.043 0.000 0.274 302 N C 0.264 175.770 175.510 -0.006 0.000 1.188 302 N CA 0.091 53.122 53.050 -0.031 0.000 1.065 302 N CB -0.256 38.203 38.487 -0.047 0.000 1.415 302 N HN 0.337 nan 8.380 nan 0.000 0.511 303 L N 0.956 122.178 121.223 -0.001 0.000 2.766 303 L HA 0.373 4.687 4.340 -0.043 0.000 0.242 303 L C 1.369 178.236 176.870 -0.006 0.000 1.136 303 L CA -0.128 54.718 54.840 0.009 0.000 0.933 303 L CB 0.093 42.167 42.059 0.024 0.000 1.241 303 L HN 0.585 nan 8.230 nan 0.000 0.522 304 G N 1.249 110.039 108.800 -0.016 0.000 2.198 304 G HA2 -0.280 3.654 3.960 -0.043 0.000 0.260 304 G HA3 -0.280 3.654 3.960 -0.043 0.000 0.260 304 G C 0.260 175.141 174.900 -0.031 0.000 1.025 304 G CA -0.103 44.989 45.100 -0.013 0.000 0.769 304 G HN 0.246 nan 8.290 nan 0.000 0.507 305 L N -0.297 120.868 121.223 -0.096 0.000 2.490 305 L HA 0.196 4.510 4.340 -0.043 0.000 0.274 305 L C 1.252 178.072 176.870 -0.085 0.000 1.201 305 L CA -0.005 54.715 54.840 -0.201 0.000 0.869 305 L CB 0.570 42.254 42.059 -0.625 0.000 1.123 305 L HN 0.203 nan 8.230 nan 0.000 0.484 306 K N 4.522 124.958 120.400 0.059 0.000 2.383 306 K HA 0.212 4.507 4.320 -0.043 0.000 0.286 306 K C -2.270 174.471 176.600 0.235 0.000 1.051 306 K CA -1.387 54.987 56.287 0.145 0.000 0.974 306 K CB 0.627 33.222 32.500 0.158 0.000 0.968 306 K HN 0.230 nan 8.250 nan 0.000 0.475 307 P HA 0.078 nan 4.420 nan 0.000 0.276 307 P C -1.231 176.169 177.300 0.168 0.000 1.230 307 P CA -0.309 62.892 63.100 0.167 0.000 0.776 307 P CB 1.266 33.035 31.700 0.114 0.000 0.888 308 S N 3.207 118.990 115.700 0.138 0.000 2.416 308 S HA 0.193 4.637 4.470 -0.043 0.000 0.287 308 S C 0.080 174.798 174.600 0.198 0.000 1.139 308 S CA -0.566 57.737 58.200 0.173 0.000 1.058 308 S CB -0.017 63.117 63.200 -0.110 0.000 0.967 308 S HN 0.310 nan 8.310 nan 0.000 0.495 309 Q N 1.704 121.656 119.800 0.253 0.000 2.260 309 Q HA 0.195 4.510 4.340 -0.043 0.000 0.238 309 Q C -0.348 175.794 176.000 0.236 0.000 0.948 309 Q CA -0.583 55.337 55.803 0.195 0.000 0.895 309 Q CB 0.547 29.362 28.738 0.130 0.000 1.218 309 Q HN 0.715 nan 8.270 nan 0.000 0.470 310 Y N 2.031 122.379 120.300 0.079 0.000 2.770 310 Y HA -0.048 4.482 4.550 -0.034 0.000 0.342 310 Y C -0.516 175.412 175.900 0.048 0.000 1.221 310 Y CA 0.644 58.782 58.100 0.062 0.000 1.560 310 Y CB 0.181 38.656 38.460 0.025 0.000 1.213 310 Y HN 0.401 nan 8.280 nan 0.000 0.525 311 D N 8.545 128.713 120.400 -0.387 0.000 2.823 311 D HA 0.238 4.853 4.640 -0.043 0.000 0.255 311 D C -2.207 173.861 176.300 -0.387 0.000 1.257 311 D CA -1.782 51.971 54.000 -0.411 0.000 0.803 311 D CB 1.145 41.786 40.800 -0.265 0.000 1.384 311 D HN 0.267 nan 8.370 nan 0.000 0.541 312 P HA -0.226 nan 4.420 nan 0.000 0.218 312 P C 1.462 178.656 177.300 -0.177 0.000 1.152 312 P CA 1.300 64.226 63.100 -0.290 0.000 0.857 312 P CB 0.428 31.967 31.700 -0.270 0.000 0.787 313 Q N -0.065 119.621 119.800 -0.189 0.000 1.985 313 Q HA -0.264 4.051 4.340 -0.043 0.000 0.207 313 Q C 2.305 178.224 176.000 -0.135 0.000 0.996 313 Q CA 2.038 57.760 55.803 -0.134 0.000 0.851 313 Q CB -0.370 28.291 28.738 -0.129 0.000 0.921 313 Q HN 0.076 nan 8.270 nan 0.000 0.418 314 K N -0.419 119.862 120.400 -0.198 0.000 2.063 314 K HA -0.195 4.100 4.320 -0.043 0.000 0.208 314 K C 1.942 178.457 176.600 -0.141 0.000 1.048 314 K CA 1.116 57.257 56.287 -0.243 0.000 0.928 314 K CB -0.276 31.920 32.500 -0.507 0.000 0.713 314 K HN 0.305 nan 8.250 nan 0.000 0.442 315 A N 2.467 125.238 122.820 -0.081 0.000 1.852 315 A HA -0.309 3.985 4.320 -0.043 0.000 0.217 315 A C 1.934 179.524 177.584 0.011 0.000 1.215 315 A CA 2.739 54.799 52.037 0.039 0.000 0.641 315 A CB -0.887 18.123 19.000 0.016 0.000 0.838 315 A HN 0.580 nan 8.150 nan 0.000 0.450 316 K N -0.428 119.961 120.400 -0.018 0.000 2.280 316 K HA 0.129 4.423 4.320 -0.043 0.000 0.202 316 K C 1.901 178.506 176.600 0.007 0.000 1.047 316 K CA 1.292 57.576 56.287 -0.004 0.000 0.942 316 K CB -0.422 32.072 32.500 -0.010 0.000 0.739 316 K HN 0.352 nan 8.250 nan 0.000 0.457 317 A N 1.943 124.757 122.820 -0.010 0.000 1.897 317 A HA -0.006 4.288 4.320 -0.043 0.000 0.215 317 A C 2.178 179.774 177.584 0.018 0.000 1.181 317 A CA 0.831 52.865 52.037 -0.005 0.000 0.620 317 A CB -0.559 18.421 19.000 -0.033 0.000 0.821 317 A HN 0.264 nan 8.150 nan 0.000 0.443 318 L N -1.122 120.116 121.223 0.026 0.000 1.994 318 L HA -0.184 4.130 4.340 -0.043 0.000 0.208 318 L C 2.524 179.438 176.870 0.074 0.000 1.071 318 L CA 1.092 55.965 54.840 0.054 0.000 0.745 318 L CB -0.388 41.723 42.059 0.088 0.000 0.892 318 L HN 0.375 nan 8.230 nan 0.000 0.431 319 L N 0.059 121.322 121.223 0.065 0.000 2.013 319 L HA -0.301 4.013 4.340 -0.043 0.000 0.212 319 L C 2.522 179.505 176.870 0.189 0.000 1.073 319 L CA 1.985 56.879 54.840 0.090 0.000 0.753 319 L CB -0.604 41.471 42.059 0.026 0.000 0.890 319 L HN 0.316 nan 8.230 nan 0.000 0.432 320 E N -0.811 119.465 120.200 0.126 0.000 2.072 320 E HA -0.281 4.043 4.350 -0.043 0.000 0.191 320 E C 2.272 178.929 176.600 0.096 0.000 0.985 320 E CA 1.175 57.645 56.400 0.118 0.000 0.801 320 E CB -0.116 29.625 29.700 0.069 0.000 0.750 320 E HN 0.406 nan 8.360 nan 0.000 0.452 321 K N 0.050 120.495 120.400 0.075 0.000 2.211 321 K HA -0.101 4.193 4.320 -0.043 0.000 0.204 321 K C 1.580 178.224 176.600 0.073 0.000 1.047 321 K CA 1.076 57.397 56.287 0.056 0.000 0.935 321 K CB -0.110 32.416 32.500 0.043 0.000 0.728 321 K HN 0.139 nan 8.250 nan 0.000 0.452 322 A N 0.172 123.071 122.820 0.131 0.000 2.252 322 A HA 0.178 4.472 4.320 -0.043 0.000 0.207 322 A C 1.199 178.877 177.584 0.156 0.000 1.194 322 A CA 0.774 52.922 52.037 0.185 0.000 0.809 322 A CB -0.530 18.642 19.000 0.286 0.000 0.814 322 A HN 0.558 nan 8.150 nan 0.000 0.482 323 G N -2.807 106.032 108.800 0.065 0.000 2.141 323 G HA2 -0.260 3.674 3.960 -0.043 0.000 0.242 323 G HA3 -0.260 3.674 3.960 -0.043 0.000 0.242 323 G C -0.282 174.486 174.900 -0.220 0.000 0.982 323 G CA 0.117 45.157 45.100 -0.100 0.000 0.662 323 G HN 0.491 nan 8.290 nan 0.000 0.527 324 W N 1.174 122.472 121.300 -0.004 0.000 2.295 324 W HA 0.648 5.282 4.660 -0.044 0.000 0.333 324 W C 0.644 177.161 176.519 -0.003 0.000 0.990 324 W CA -0.241 57.102 57.345 -0.003 0.000 1.453 324 W CB 1.041 30.500 29.460 -0.003 0.000 1.263 324 W HN 0.152 nan 8.180 nan 0.000 0.380 325 T N 2.966 117.588 114.554 0.114 0.000 2.927 325 T HA 0.592 4.916 4.350 -0.043 0.000 0.281 325 T C -0.354 174.393 174.700 0.078 0.000 0.998 325 T CA -0.589 61.557 62.100 0.077 0.000 1.019 325 T CB 0.637 69.519 68.868 0.023 0.000 1.061 325 T HN 0.198 nan 8.240 nan 0.000 0.518 326 L N 4.987 126.243 121.223 0.056 0.000 2.260 326 L HA 0.423 4.737 4.340 -0.043 0.000 0.289 326 L C -1.614 175.274 176.870 0.031 0.000 1.057 326 L CA -1.773 53.096 54.840 0.047 0.000 0.811 326 L CB 1.385 43.467 42.059 0.038 0.000 1.184 326 L HN 0.595 nan 8.230 nan 0.000 0.429 327 P HA 0.249 nan 4.420 nan 0.000 0.282 327 P C -0.682 176.628 177.300 0.017 0.000 1.249 327 P CA -0.581 62.531 63.100 0.019 0.000 0.806 327 P CB 1.461 33.172 31.700 0.020 0.000 0.984 328 A N 1.734 124.561 122.820 0.012 0.000 2.567 328 A HA 0.366 4.660 4.320 -0.043 0.000 0.240 328 A C 1.478 179.069 177.584 0.011 0.000 1.053 328 A CA 0.812 52.855 52.037 0.010 0.000 0.755 328 A CB -1.477 17.527 19.000 0.007 0.000 0.978 328 A HN 1.010 nan 8.150 nan 0.000 0.507 329 G N 1.578 110.385 108.800 0.012 0.000 2.153 329 G HA2 -0.205 3.730 3.960 -0.043 0.000 0.252 329 G HA3 -0.205 3.730 3.960 -0.043 0.000 0.252 329 G C 0.073 174.982 174.900 0.015 0.000 0.994 329 G CA 0.784 45.891 45.100 0.012 0.000 0.698 329 G HN 0.823 nan 8.290 nan 0.000 0.521 330 K N -0.684 119.727 120.400 0.018 0.000 2.426 330 K HA 0.443 4.738 4.320 -0.043 0.000 0.251 330 K C 0.021 176.636 176.600 0.025 0.000 0.941 330 K CA -0.819 55.482 56.287 0.023 0.000 0.808 330 K CB 1.959 34.476 32.500 0.028 0.000 1.265 330 K HN -0.039 nan 8.250 nan 0.000 0.432 331 D N 0.684 121.099 120.400 0.025 0.000 2.301 331 D HA 0.175 4.789 4.640 -0.043 0.000 0.206 331 D C 0.202 176.520 176.300 0.031 0.000 0.979 331 D CA 0.505 54.519 54.000 0.024 0.000 0.874 331 D CB 0.411 41.223 40.800 0.020 0.000 0.968 331 D HN 0.390 nan 8.370 nan 0.000 0.510 332 I N 1.058 121.650 120.570 0.038 0.000 2.428 332 I HA 0.276 4.420 4.170 -0.043 0.000 0.296 332 I C 0.498 176.662 176.117 0.078 0.000 0.985 332 I CA -0.779 60.551 61.300 0.050 0.000 1.260 332 I CB 1.463 39.492 38.000 0.048 0.000 1.389 332 I HN -0.286 nan 8.210 nan 0.000 0.484 333 R N 4.318 124.883 120.500 0.108 0.000 2.539 333 R HA 0.370 4.684 4.340 -0.043 0.000 0.275 333 R C -0.692 175.762 176.300 0.257 0.000 1.077 333 R CA -0.284 55.924 56.100 0.179 0.000 1.097 333 R CB 0.602 31.044 30.300 0.236 0.000 1.018 333 R HN 0.581 nan 8.270 nan 0.000 0.483 334 E N 1.186 121.506 120.200 0.201 0.000 2.317 334 E HA 0.292 4.616 4.350 -0.043 0.000 0.270 334 E C -1.178 175.386 176.600 -0.060 0.000 0.885 334 E CA -0.946 55.531 56.400 0.128 0.000 0.760 334 E CB 2.770 32.501 29.700 0.052 0.000 1.227 334 E HN 0.280 nan 8.360 nan 0.000 0.434 335 K N 2.054 122.272 120.400 -0.302 0.000 2.471 335 K HA 0.252 4.546 4.320 -0.043 0.000 0.252 335 K C -0.789 175.587 176.600 -0.372 0.000 0.938 335 K CA -0.458 55.476 56.287 -0.587 0.000 0.796 335 K CB 0.741 32.340 32.500 -1.502 0.000 1.161 335 K HN 0.534 nan 8.250 nan 0.000 0.425 336 N N 2.688 121.233 118.700 -0.259 0.000 2.666 336 N HA -0.271 4.443 4.740 -0.043 0.000 0.248 336 N C 0.587 176.028 175.510 -0.116 0.000 1.118 336 N CA 1.831 54.780 53.050 -0.168 0.000 0.722 336 N CB -0.932 37.451 38.487 -0.173 0.000 1.050 336 N HN 1.050 nan 8.380 nan 0.000 0.550 337 G N -2.704 106.037 108.800 -0.099 0.000 2.339 337 G HA2 -0.277 3.658 3.960 -0.043 0.000 0.209 337 G HA3 -0.277 3.658 3.960 -0.043 0.000 0.209 337 G C -0.157 174.731 174.900 -0.021 0.000 1.015 337 G CA 0.046 45.116 45.100 -0.050 0.000 0.635 337 G HN 0.418 nan 8.290 nan 0.000 0.499 338 Q N 2.136 121.921 119.800 -0.025 0.000 2.230 338 Q HA 0.580 4.894 4.340 -0.043 0.000 0.248 338 Q C -2.211 173.874 176.000 0.141 0.000 0.915 338 Q CA -1.767 54.068 55.803 0.052 0.000 0.900 338 Q CB 2.049 30.834 28.738 0.079 0.000 1.229 338 Q HN 0.363 nan 8.270 nan 0.000 0.439 339 P HA 0.047 nan 4.420 nan 0.000 0.281 339 P C -0.731 176.747 177.300 0.296 0.000 1.249 339 P CA -0.594 62.627 63.100 0.203 0.000 0.810 339 P CB 0.823 32.591 31.700 0.113 0.000 1.008 340 L N 2.564 123.939 121.223 0.253 0.000 2.416 340 L HA 0.201 4.515 4.340 -0.043 0.000 0.243 340 L C 0.739 177.568 176.870 -0.067 0.000 1.373 340 L CA -0.019 54.806 54.840 -0.025 0.000 1.227 340 L CB -1.614 40.305 42.059 -0.234 0.000 1.428 340 L HN 0.303 nan 8.230 nan 0.000 0.425 341 R N 2.548 123.049 120.500 0.002 0.000 2.404 341 R HA 0.737 5.051 4.340 -0.043 0.000 0.291 341 R C -1.137 175.147 176.300 -0.028 0.000 1.025 341 R CA -0.401 55.697 56.100 -0.003 0.000 0.991 341 R CB 0.805 31.125 30.300 0.033 0.000 1.053 341 R HN 0.521 nan 8.270 nan 0.000 0.479 342 I N 3.353 123.908 120.570 -0.025 0.000 2.644 342 I HA 0.181 4.326 4.170 -0.043 0.000 0.291 342 I C -0.793 175.333 176.117 0.015 0.000 1.180 342 I CA -0.765 60.522 61.300 -0.021 0.000 1.040 342 I CB 2.310 40.273 38.000 -0.061 0.000 1.255 342 I HN 0.697 nan 8.210 nan 0.000 0.422 343 E N 6.144 126.370 120.200 0.042 0.000 2.216 343 E HA 0.577 4.901 4.350 -0.043 0.000 0.279 343 E C -1.320 175.341 176.600 0.102 0.000 0.997 343 E CA -0.866 55.579 56.400 0.075 0.000 0.817 343 E CB 2.713 32.461 29.700 0.079 0.000 1.096 343 E HN 0.348 nan 8.360 nan 0.000 0.393 344 L N 2.787 124.089 121.223 0.132 0.000 2.316 344 L HA 0.321 4.635 4.340 -0.043 0.000 0.280 344 L C -0.721 176.338 176.870 0.315 0.000 1.006 344 L CA -0.348 54.592 54.840 0.167 0.000 0.836 344 L CB 1.492 43.619 42.059 0.113 0.000 1.221 344 L HN 0.710 nan 8.230 nan 0.000 0.418 345 S N 4.528 120.387 115.700 0.265 0.000 2.585 345 S HA 0.896 5.340 4.470 -0.043 0.000 0.277 345 S C -0.470 174.387 174.600 0.427 0.000 1.241 345 S CA -0.442 57.904 58.200 0.244 0.000 1.041 345 S CB 1.002 64.276 63.200 0.123 0.000 0.987 345 S HN 0.692 nan 8.310 nan 0.000 0.512 346 F N -1.438 118.586 119.950 0.124 0.000 2.770 346 F HA 0.527 5.029 4.527 -0.041 0.000 0.313 346 F C -1.275 174.524 175.800 -0.002 0.000 1.154 346 F CA -1.607 56.457 58.000 0.106 0.000 0.923 346 F CB 0.657 39.725 39.000 0.113 0.000 1.301 346 F HN 0.457 nan 8.300 nan 0.000 0.449 347 I N 2.876 123.451 120.570 0.008 0.000 2.573 347 I HA 0.092 4.236 4.170 -0.043 0.000 0.295 347 I C 1.619 177.662 176.117 -0.123 0.000 1.141 347 I CA 0.605 61.837 61.300 -0.113 0.000 1.364 347 I CB 0.268 38.226 38.000 -0.070 0.000 1.447 347 I HN 1.046 nan 8.210 nan 0.000 0.571 348 G N 4.493 113.075 108.800 -0.362 0.000 2.550 348 G HA2 -0.320 3.615 3.960 -0.043 0.000 0.222 348 G HA3 -0.320 3.615 3.960 -0.043 0.000 0.222 348 G C 1.327 176.205 174.900 -0.037 0.000 1.113 348 G CA 1.465 46.403 45.100 -0.270 0.000 0.748 348 G HN 0.654 nan 8.290 nan 0.000 0.585 349 T N -2.500 112.019 114.554 -0.059 0.000 3.278 349 T HA 0.226 4.550 4.350 -0.043 0.000 0.251 349 T C 0.144 174.826 174.700 -0.031 0.000 1.039 349 T CA -0.052 62.025 62.100 -0.037 0.000 0.935 349 T CB 0.405 69.239 68.868 -0.056 0.000 1.034 349 T HN 0.131 nan 8.240 nan 0.000 0.575 350 D N 0.931 121.329 120.400 -0.004 0.000 2.454 350 D HA 0.510 5.125 4.640 -0.043 0.000 0.225 350 D C 1.276 177.552 176.300 -0.040 0.000 1.081 350 D CA -0.304 53.673 54.000 -0.037 0.000 0.864 350 D CB 1.532 42.298 40.800 -0.056 0.000 1.040 350 D HN 0.174 nan 8.370 nan 0.000 0.517 351 A N 4.648 127.434 122.820 -0.057 0.000 1.948 351 A HA -0.185 4.109 4.320 -0.043 0.000 0.220 351 A C 2.180 179.702 177.584 -0.103 0.000 1.177 351 A CA 1.045 53.044 52.037 -0.064 0.000 0.636 351 A CB -0.351 18.610 19.000 -0.065 0.000 0.815 351 A HN 0.717 nan 8.150 nan 0.000 0.449 352 L N -0.924 120.219 121.223 -0.133 0.000 2.044 352 L HA -0.130 4.185 4.340 -0.043 0.000 0.205 352 L C 2.882 179.585 176.870 -0.278 0.000 1.075 352 L CA 1.541 56.279 54.840 -0.169 0.000 0.747 352 L CB -0.379 41.584 42.059 -0.159 0.000 0.903 352 L HN 0.373 nan 8.230 nan 0.000 0.435 353 S N -0.390 115.077 115.700 -0.387 0.000 2.368 353 S HA -0.240 4.204 4.470 -0.043 0.000 0.225 353 S C 1.904 176.078 174.600 -0.711 0.000 1.030 353 S CA 1.407 59.129 58.200 -0.797 0.000 0.999 353 S CB -0.144 62.656 63.200 -0.668 0.000 0.844 353 S HN 0.285 nan 8.310 nan 0.000 0.459 354 K N 1.083 121.235 120.400 -0.414 0.000 2.097 354 K HA -0.064 4.231 4.320 -0.043 0.000 0.206 354 K C 2.131 178.547 176.600 -0.307 0.000 1.049 354 K CA 1.429 57.459 56.287 -0.428 0.000 0.933 354 K CB -0.122 32.354 32.500 -0.039 0.000 0.717 354 K HN 0.224 nan 8.250 nan 0.000 0.442 355 S N 0.815 116.392 115.700 -0.206 0.000 2.345 355 S HA -0.083 4.361 4.470 -0.043 0.000 0.219 355 S C 1.877 176.415 174.600 -0.104 0.000 1.031 355 S CA 1.361 59.485 58.200 -0.127 0.000 0.984 355 S CB -0.139 63.005 63.200 -0.092 0.000 0.874 355 S HN 0.307 nan 8.310 nan 0.000 0.451 356 M N 1.322 120.866 119.600 -0.092 0.000 2.213 356 M HA -0.076 4.378 4.480 -0.043 0.000 0.263 356 M C 2.500 178.834 176.300 0.056 0.000 1.062 356 M CA 1.219 56.534 55.300 0.026 0.000 1.105 356 M CB -0.718 31.979 32.600 0.161 0.000 1.385 356 M HN 0.403 nan 8.290 nan 0.000 0.417 357 A N 0.861 123.669 122.820 -0.021 0.000 1.851 357 A HA -0.209 4.086 4.320 -0.043 0.000 0.216 357 A C 1.917 179.438 177.584 -0.106 0.000 1.195 357 A CA 2.053 54.025 52.037 -0.109 0.000 0.622 357 A CB -0.803 17.825 19.000 -0.620 0.000 0.831 357 A HN 0.496 nan 8.150 nan 0.000 0.444 358 E N -0.394 119.733 120.200 -0.122 0.000 2.110 358 E HA -0.145 4.180 4.350 -0.043 0.000 0.193 358 E C 1.868 178.445 176.600 -0.039 0.000 0.988 358 E CA 1.242 57.604 56.400 -0.063 0.000 0.804 358 E CB -0.276 29.392 29.700 -0.054 0.000 0.745 358 E HN 0.704 nan 8.360 nan 0.000 0.458 359 I N 0.569 121.116 120.570 -0.039 0.000 2.202 359 I HA -0.268 3.876 4.170 -0.043 0.000 0.242 359 I C 2.211 178.315 176.117 -0.022 0.000 1.091 359 I CA 1.029 62.312 61.300 -0.028 0.000 1.368 359 I CB -0.212 37.770 38.000 -0.031 0.000 1.058 359 I HN 0.120 nan 8.210 nan 0.000 0.410 360 I N 0.311 120.866 120.570 -0.025 0.000 2.179 360 I HA -0.352 3.792 4.170 -0.043 0.000 0.242 360 I C 2.715 178.817 176.117 -0.025 0.000 1.088 360 I CA 1.446 62.728 61.300 -0.031 0.000 1.357 360 I CB -0.500 37.466 38.000 -0.057 0.000 1.051 360 I HN 0.348 nan 8.210 nan 0.000 0.409 361 Q N 1.139 120.924 119.800 -0.024 0.000 2.045 361 Q HA -0.289 4.026 4.340 -0.043 0.000 0.206 361 Q C 2.313 178.309 176.000 -0.006 0.000 0.991 361 Q CA 2.419 58.214 55.803 -0.013 0.000 0.851 361 Q CB -0.177 28.558 28.738 -0.006 0.000 0.911 361 Q HN 0.571 nan 8.270 nan 0.000 0.418 362 A N 0.556 123.374 122.820 -0.004 0.000 1.969 362 A HA -0.187 4.108 4.320 -0.043 0.000 0.218 362 A C 1.620 179.213 177.584 0.014 0.000 1.169 362 A CA 1.651 53.691 52.037 0.004 0.000 0.635 362 A CB -0.402 18.599 19.000 0.001 0.000 0.810 362 A HN 0.465 nan 8.150 nan 0.000 0.445 363 D N -0.335 120.075 120.400 0.016 0.000 2.123 363 D HA -0.107 4.508 4.640 -0.043 0.000 0.200 363 D C 2.049 178.370 176.300 0.034 0.000 0.976 363 D CA 1.173 55.200 54.000 0.045 0.000 0.831 363 D CB -0.280 40.552 40.800 0.053 0.000 0.974 363 D HN 0.302 nan 8.370 nan 0.000 0.469 364 M N 0.128 119.731 119.600 0.006 0.000 2.175 364 M HA -0.077 4.377 4.480 -0.043 0.000 0.264 364 M C 2.150 178.443 176.300 -0.011 0.000 1.063 364 M CA 0.841 56.132 55.300 -0.014 0.000 1.119 364 M CB -0.941 31.639 32.600 -0.034 0.000 1.377 364 M HN -0.017 nan 8.290 nan 0.000 0.415 365 R N 0.531 121.030 120.500 -0.002 0.000 2.241 365 R HA -0.130 4.184 4.340 -0.043 0.000 0.224 365 R C 1.792 178.096 176.300 0.008 0.000 1.101 365 R CA 0.985 57.086 56.100 0.002 0.000 0.995 365 R CB 0.091 30.395 30.300 0.007 0.000 0.870 365 R HN 0.392 nan 8.270 nan 0.000 0.463 366 Q N 0.314 120.122 119.800 0.013 0.000 2.444 366 Q HA -0.022 4.292 4.340 -0.043 0.000 0.206 366 Q C 1.348 177.351 176.000 0.004 0.000 0.948 366 Q CA 0.737 56.550 55.803 0.016 0.000 0.946 366 Q CB 0.563 29.322 28.738 0.035 0.000 1.027 366 Q HN 0.616 nan 8.270 nan 0.000 0.513 367 I N -5.323 115.244 120.570 -0.004 0.000 3.947 367 I HA 0.458 4.602 4.170 -0.043 0.000 0.327 367 I C 0.718 176.829 176.117 -0.010 0.000 1.519 367 I CA 0.137 61.430 61.300 -0.012 0.000 1.122 367 I CB 0.503 38.489 38.000 -0.023 0.000 1.146 367 I HN 0.037 nan 8.210 nan 0.000 0.442 368 G N 1.645 110.444 108.800 -0.002 0.000 2.136 368 G HA2 -0.157 3.778 3.960 -0.043 0.000 0.242 368 G HA3 -0.157 3.778 3.960 -0.043 0.000 0.242 368 G C 0.182 175.077 174.900 -0.009 0.000 0.989 368 G CA 0.021 45.126 45.100 0.009 0.000 0.682 368 G HN 0.997 nan 8.290 nan 0.000 0.522 369 A N -0.058 122.740 122.820 -0.037 0.000 2.318 369 A HA 0.677 4.971 4.320 -0.043 0.000 0.324 369 A C -0.412 177.149 177.584 -0.038 0.000 1.170 369 A CA 0.149 52.145 52.037 -0.068 0.000 0.810 369 A CB 1.232 20.161 19.000 -0.119 0.000 1.198 369 A HN 0.548 nan 8.150 nan 0.000 0.484 370 D N 2.255 122.638 120.400 -0.029 0.000 2.454 370 D HA 0.374 4.989 4.640 -0.043 0.000 0.225 370 D C -0.256 176.040 176.300 -0.007 0.000 1.081 370 D CA -0.199 53.797 54.000 -0.007 0.000 0.864 370 D CB 1.117 41.924 40.800 0.011 0.000 1.040 370 D HN 0.517 nan 8.370 nan 0.000 0.517 371 V N 1.843 121.754 119.914 -0.005 0.000 2.439 371 V HA 0.682 4.777 4.120 -0.043 0.000 0.282 371 V C -0.135 175.979 176.094 0.034 0.000 1.039 371 V CA -0.579 61.725 62.300 0.007 0.000 0.913 371 V CB 1.504 33.325 31.823 -0.004 0.000 0.983 371 V HN 0.438 nan 8.190 nan 0.000 0.460 372 S N 6.055 121.786 115.700 0.052 0.000 2.442 372 S HA 0.708 5.153 4.470 -0.043 0.000 0.297 372 S C -0.516 174.160 174.600 0.126 0.000 1.131 372 S CA -0.470 57.775 58.200 0.075 0.000 1.092 372 S CB 1.099 64.337 63.200 0.063 0.000 0.998 372 S HN 0.670 nan 8.310 nan 0.000 0.478 373 L N 3.627 124.952 121.223 0.170 0.000 2.290 373 L HA 0.443 4.757 4.340 -0.043 0.000 0.284 373 L C -0.046 176.991 176.870 0.278 0.000 1.078 373 L CA 0.382 55.428 54.840 0.343 0.000 0.815 373 L CB 0.092 42.383 42.059 0.388 0.000 1.162 373 L HN 0.614 nan 8.230 nan 0.000 0.435 374 I N 3.229 123.934 120.570 0.224 0.000 2.557 374 I HA 0.278 4.422 4.170 -0.043 0.000 0.277 374 I C 0.657 176.513 176.117 -0.434 0.000 1.106 374 I CA -0.326 60.951 61.300 -0.039 0.000 1.180 374 I CB 0.986 38.987 38.000 0.003 0.000 1.392 374 I HN 0.718 nan 8.210 nan 0.000 0.506 375 G N 4.889 113.280 108.800 -0.682 0.000 2.360 375 G HA2 0.449 4.384 3.960 -0.043 0.000 0.279 375 G HA3 0.449 4.384 3.960 -0.043 0.000 0.279 375 G C -0.328 174.265 174.900 -0.512 0.000 1.189 375 G CA -0.011 44.403 45.100 -1.143 0.000 0.941 375 G HN 0.572 nan 8.290 nan 0.000 0.445 376 E N 1.108 121.044 120.200 -0.440 0.000 2.431 376 E HA 0.303 4.627 4.350 -0.043 0.000 0.268 376 E C -0.734 175.746 176.600 -0.201 0.000 0.953 376 E CA -0.928 55.327 56.400 -0.241 0.000 0.810 376 E CB 1.449 31.047 29.700 -0.171 0.000 1.369 376 E HN 0.436 nan 8.360 nan 0.000 0.440 377 E N 1.238 121.348 120.200 -0.150 0.000 2.415 377 E HA -0.083 4.241 4.350 -0.043 0.000 0.262 377 E C 0.566 177.057 176.600 -0.181 0.000 1.038 377 E CA 0.360 56.675 56.400 -0.142 0.000 0.921 377 E CB 0.364 29.998 29.700 -0.110 0.000 0.950 377 E HN 0.522 nan 8.360 nan 0.000 0.438 378 E N 1.529 121.594 120.200 -0.225 0.000 2.160 378 E HA -0.244 4.080 4.350 -0.043 0.000 0.195 378 E C 1.434 177.765 176.600 -0.448 0.000 0.991 378 E CA 1.372 57.544 56.400 -0.379 0.000 0.810 378 E CB 0.097 29.540 29.700 -0.428 0.000 0.742 378 E HN 0.565 nan 8.360 nan 0.000 0.466 379 S N -0.336 115.208 115.700 -0.260 0.000 2.383 379 S HA -0.145 4.299 4.470 -0.043 0.000 0.227 379 S C 2.149 176.702 174.600 -0.078 0.000 1.026 379 S CA 1.325 59.433 58.200 -0.153 0.000 0.981 379 S CB -0.252 62.896 63.200 -0.087 0.000 0.818 379 S HN 0.192 nan 8.310 nan 0.000 0.472 380 S N 0.663 116.314 115.700 -0.082 0.000 2.428 380 S HA 0.083 4.527 4.470 -0.043 0.000 0.230 380 S C 1.751 176.348 174.600 -0.006 0.000 1.014 380 S CA 0.566 58.744 58.200 -0.036 0.000 0.957 380 S CB -0.507 62.664 63.200 -0.049 0.000 0.784 380 S HN 0.467 nan 8.310 nan 0.000 0.499 381 I N 0.775 121.320 120.570 -0.040 0.000 2.193 381 I HA -0.092 4.052 4.170 -0.043 0.000 0.240 381 I C 1.999 178.220 176.117 0.173 0.000 1.084 381 I CA 1.380 62.698 61.300 0.030 0.000 1.365 381 I CB -1.731 36.254 38.000 -0.024 0.000 1.064 381 I HN 0.437 nan 8.210 nan 0.000 0.410 382 Y N 1.006 121.295 120.300 -0.019 0.000 2.333 382 Y HA -0.190 4.334 4.550 -0.043 0.000 0.290 382 Y C 2.649 178.527 175.900 -0.037 0.000 1.144 382 Y CA 0.363 58.438 58.100 -0.042 0.000 1.228 382 Y CB -0.130 38.296 38.460 -0.056 0.000 0.985 382 Y HN 0.174 nan 8.280 nan 0.000 0.542 383 A N 0.983 123.889 122.820 0.143 0.000 1.855 383 A HA -0.189 4.105 4.320 -0.043 0.000 0.215 383 A C 2.079 179.720 177.584 0.094 0.000 1.191 383 A CA 1.300 53.385 52.037 0.081 0.000 0.613 383 A CB -0.567 18.461 19.000 0.048 0.000 0.829 383 A HN 0.359 nan 8.150 nan 0.000 0.442 384 R N -0.155 120.421 120.500 0.126 0.000 2.241 384 R HA -0.104 4.210 4.340 -0.043 0.000 0.224 384 R C 2.212 178.710 176.300 0.331 0.000 1.101 384 R CA 1.279 57.498 56.100 0.197 0.000 0.995 384 R CB -0.213 30.223 30.300 0.227 0.000 0.870 384 R HN 0.685 nan 8.270 nan 0.000 0.463 385 Q N -0.087 119.854 119.800 0.235 0.000 2.187 385 Q HA -0.057 4.257 4.340 -0.043 0.000 0.199 385 Q C 1.889 178.013 176.000 0.208 0.000 0.957 385 Q CA 0.994 56.944 55.803 0.247 0.000 0.857 385 Q CB 0.137 28.899 28.738 0.040 0.000 0.929 385 Q HN 0.373 nan 8.270 nan 0.000 0.453 386 R N 0.589 121.141 120.500 0.086 0.000 2.052 386 R HA -0.048 4.267 4.340 -0.043 0.000 0.224 386 R C 1.964 178.298 176.300 0.056 0.000 1.149 386 R CA 0.924 57.045 56.100 0.035 0.000 0.962 386 R CB -0.248 30.037 30.300 -0.026 0.000 0.856 386 R HN 0.165 nan 8.270 nan 0.000 0.433 387 D N 0.024 120.455 120.400 0.052 0.000 2.149 387 D HA -0.157 4.457 4.640 -0.043 0.000 0.194 387 D C 1.004 177.303 176.300 -0.003 0.000 1.001 387 D CA 2.093 56.109 54.000 0.026 0.000 0.849 387 D CB -0.096 40.725 40.800 0.034 0.000 0.939 387 D HN 0.509 nan 8.370 nan 0.000 0.449 388 G N 0.401 109.205 108.800 0.007 0.000 2.142 388 G HA2 -0.281 3.653 3.960 -0.043 0.000 0.225 388 G HA3 -0.281 3.653 3.960 -0.043 0.000 0.225 388 G C 0.284 174.941 174.900 -0.404 0.000 1.015 388 G CA 0.059 44.996 45.100 -0.271 0.000 0.716 388 G HN 0.349 nan 8.290 nan 0.000 0.508 389 R N 0.084 120.513 120.500 -0.118 0.000 4.071 389 R HA 0.514 4.828 4.340 -0.043 0.000 0.220 389 R C -0.095 176.252 176.300 0.079 0.000 1.614 389 R CA 0.181 56.248 56.100 -0.055 0.000 1.505 389 R CB -0.408 29.908 30.300 0.027 0.000 1.384 389 R HN 0.569 nan 8.270 nan 0.000 0.758 390 F N -4.063 115.893 119.950 0.010 0.000 2.713 390 F HA 0.567 5.068 4.527 -0.044 0.000 0.311 390 F C 0.424 176.221 175.800 -0.005 0.000 1.141 390 F CA -1.327 56.679 58.000 0.010 0.000 0.939 390 F CB 0.547 39.559 39.000 0.020 0.000 1.325 390 F HN 0.001 nan 8.300 nan 0.000 0.453 391 G N 0.455 109.439 108.800 0.306 0.000 2.692 391 G HA2 0.405 4.339 3.960 -0.043 0.000 0.209 391 G HA3 0.405 4.339 3.960 -0.043 0.000 0.209 391 G C -0.223 174.813 174.900 0.227 0.000 1.166 391 G CA -0.069 45.132 45.100 0.168 0.000 0.844 391 G HN 0.478 nan 8.290 nan 0.000 0.596 392 M N -0.069 119.632 119.600 0.168 0.000 2.501 392 M HA 0.619 5.074 4.480 -0.043 0.000 0.293 392 M C -1.840 174.413 176.300 -0.077 0.000 1.192 392 M CA -0.488 54.826 55.300 0.024 0.000 0.886 392 M CB 3.470 36.030 32.600 -0.067 0.000 1.710 392 M HN 0.070 nan 8.290 nan 0.000 0.457 393 I N 1.549 121.980 120.570 -0.232 0.000 2.649 393 I HA 0.419 4.563 4.170 -0.043 0.000 0.289 393 I C -1.299 174.723 176.117 -0.158 0.000 1.222 393 I CA -0.563 60.589 61.300 -0.245 0.000 1.046 393 I CB 1.549 39.173 38.000 -0.626 0.000 1.272 393 I HN 0.542 nan 8.210 nan 0.000 0.425 394 F N 6.240 126.203 119.950 0.021 0.000 2.602 394 F HA 0.202 4.704 4.527 -0.042 0.000 0.367 394 F C 0.396 176.289 175.800 0.155 0.000 1.126 394 F CA 1.101 59.144 58.000 0.072 0.000 1.321 394 F CB 0.160 39.207 39.000 0.079 0.000 1.094 394 F HN 0.489 nan 8.300 nan 0.000 0.594 395 H N 1.864 121.039 119.070 0.174 0.000 3.037 395 H HA 0.632 5.162 4.556 -0.043 0.000 0.336 395 H C -1.240 174.154 175.328 0.110 0.000 1.323 395 H CA -1.348 54.791 56.048 0.153 0.000 1.159 395 H CB 1.486 31.328 29.762 0.134 0.000 1.882 395 H HN 0.633 nan 8.280 nan 0.000 0.535 396 R N 0.355 120.662 120.500 -0.322 0.000 2.764 396 R HA 0.613 4.928 4.340 -0.043 0.000 0.270 396 R C -0.799 175.221 176.300 -0.467 0.000 1.014 396 R CA -0.554 55.375 56.100 -0.285 0.000 0.904 396 R CB 1.186 31.450 30.300 -0.060 0.000 1.236 396 R HN 0.692 nan 8.270 nan 0.000 0.466 397 T N -2.624 111.614 114.554 -0.528 0.000 2.793 397 T HA 0.279 4.603 4.350 -0.043 0.000 0.299 397 T C 0.062 174.673 174.700 -0.149 0.000 1.038 397 T CA -0.541 61.045 62.100 -0.857 0.000 0.948 397 T CB 0.485 68.837 68.868 -0.860 0.000 1.231 397 T HN 0.692 nan 8.240 nan 0.000 0.538 398 W N 0.188 121.359 121.300 -0.216 0.000 3.008 398 W HA 0.518 5.153 4.660 -0.042 0.000 0.355 398 W C 1.240 177.753 176.519 -0.009 0.000 1.095 398 W CA -0.215 57.049 57.345 -0.135 0.000 1.738 398 W CB -1.540 27.761 29.460 -0.265 0.000 1.091 398 W HN 1.372 nan 8.180 nan 0.000 0.574 399 G N 1.383 110.301 108.800 0.196 0.000 2.796 399 G HA2 0.055 3.990 3.960 -0.043 0.000 0.226 399 G HA3 0.055 3.990 3.960 -0.043 0.000 0.226 399 G C 0.016 175.061 174.900 0.242 0.000 1.381 399 G CA -0.496 44.702 45.100 0.164 0.000 0.867 399 G HN 0.462 nan 8.290 nan 0.000 0.552 400 A N 0.625 123.545 122.820 0.167 0.000 2.407 400 A HA 0.707 5.001 4.320 -0.043 0.000 0.248 400 A C -0.522 177.123 177.584 0.101 0.000 1.082 400 A CA -0.147 51.968 52.037 0.130 0.000 0.785 400 A CB 0.740 19.814 19.000 0.123 0.000 1.020 400 A HN 0.835 nan 8.150 nan 0.000 0.489 401 P HA 0.106 nan 4.420 nan 0.000 0.266 401 P C 0.051 177.302 177.300 -0.082 0.000 1.381 401 P CA 0.266 63.232 63.100 -0.224 0.000 0.940 401 P CB -0.001 31.270 31.700 -0.715 0.000 1.435 402 Y N 0.515 120.892 120.300 0.128 0.000 2.163 402 Y HA -0.084 4.441 4.550 -0.043 0.000 0.288 402 Y C 1.087 177.060 175.900 0.123 0.000 1.136 402 Y CA 0.938 59.168 58.100 0.218 0.000 1.147 402 Y CB -1.138 37.633 38.460 0.517 0.000 0.987 402 Y HN -0.033 nan 8.280 nan 0.000 0.509 403 D N 1.603 122.140 120.400 0.229 0.000 2.348 403 D HA 0.060 4.674 4.640 -0.043 0.000 0.253 403 D C -1.552 174.649 176.300 -0.165 0.000 1.161 403 D CA -1.408 52.563 54.000 -0.048 0.000 0.876 403 D CB 1.028 41.776 40.800 -0.088 0.000 1.160 403 D HN 0.189 nan 8.370 nan 0.000 0.459 404 P HA -0.029 nan 4.420 nan 0.000 0.260 404 P C 1.160 178.550 177.300 0.150 0.000 1.222 404 P CA 0.336 63.191 63.100 -0.408 0.000 0.843 404 P CB 0.330 31.524 31.700 -0.843 0.000 1.159 405 H N 1.250 120.432 119.070 0.187 0.000 2.321 405 H HA 0.019 4.549 4.556 -0.043 0.000 0.300 405 H C 1.576 177.064 175.328 0.267 0.000 1.087 405 H CA 1.836 58.057 56.048 0.288 0.000 1.319 405 H CB -0.877 29.038 29.762 0.256 0.000 1.379 405 H HN -0.008 nan 8.280 nan 0.000 0.501 406 A N 1.016 123.437 122.820 -0.666 0.000 1.873 406 A HA -0.105 4.189 4.320 -0.043 0.000 0.215 406 A C 2.475 180.169 177.584 0.182 0.000 1.186 406 A CA 1.112 53.055 52.037 -0.157 0.000 0.616 406 A CB -1.362 17.737 19.000 0.165 0.000 0.823 406 A HN 0.463 nan 8.150 nan 0.000 0.442 407 F N 0.475 120.385 119.950 -0.067 0.000 2.202 407 F HA -0.131 4.371 4.527 -0.043 0.000 0.301 407 F C 1.856 177.572 175.800 -0.140 0.000 1.082 407 F CA 1.418 59.152 58.000 -0.442 0.000 1.313 407 F CB -0.020 38.691 39.000 -0.483 0.000 1.024 407 F HN 0.130 nan 8.300 nan 0.000 0.495 408 L N -1.100 120.197 121.223 0.123 0.000 2.068 408 L HA -0.169 4.145 4.340 -0.043 0.000 0.204 408 L C 2.756 179.650 176.870 0.040 0.000 1.076 408 L CA 1.339 56.247 54.840 0.113 0.000 0.753 408 L CB -1.087 41.125 42.059 0.254 0.000 0.910 408 L HN 0.217 nan 8.230 nan 0.000 0.439 409 S N -0.311 115.445 115.700 0.093 0.000 2.372 409 S HA -0.309 4.135 4.470 -0.043 0.000 0.227 409 S C 2.315 176.987 174.600 0.120 0.000 1.044 409 S CA 2.195 60.465 58.200 0.118 0.000 1.050 409 S CB -0.384 62.910 63.200 0.156 0.000 0.901 409 S HN 0.453 nan 8.310 nan 0.000 0.447 410 S N 0.637 116.413 115.700 0.128 0.000 2.402 410 S HA -0.144 4.301 4.470 -0.043 0.000 0.233 410 S C 1.967 176.587 174.600 0.032 0.000 1.030 410 S CA 1.755 60.043 58.200 0.147 0.000 1.003 410 S CB -0.615 62.627 63.200 0.070 0.000 0.813 410 S HN 0.688 nan 8.310 nan 0.000 0.477 411 M N 0.287 119.842 119.600 -0.074 0.000 2.346 411 M HA -0.092 4.363 4.480 -0.043 0.000 0.263 411 M C 2.351 178.752 176.300 0.168 0.000 1.064 411 M CA 1.311 56.608 55.300 -0.005 0.000 1.083 411 M CB -0.339 32.236 32.600 -0.041 0.000 1.399 411 M HN 0.316 nan 8.290 nan 0.000 0.435 412 R N -0.196 120.411 120.500 0.178 0.000 2.073 412 R HA 0.047 4.361 4.340 -0.043 0.000 0.229 412 R C 0.648 177.169 176.300 0.368 0.000 1.120 412 R CA 0.442 56.697 56.100 0.258 0.000 0.967 412 R CB -0.364 30.030 30.300 0.157 0.000 0.862 412 R HN 0.142 nan 8.270 nan 0.000 0.436 413 V N 3.451 123.499 119.914 0.222 0.000 2.557 413 V HA -0.021 4.073 4.120 -0.043 0.000 0.301 413 V C -1.682 174.341 176.094 -0.118 0.000 1.026 413 V CA -0.333 62.018 62.300 0.084 0.000 1.137 413 V CB 1.113 33.015 31.823 0.132 0.000 0.917 413 V HN 0.120 nan 8.190 nan 0.000 0.484 414 P HA -0.011 nan 4.420 nan 0.000 0.242 414 P C 0.670 177.671 177.300 -0.498 0.000 1.197 414 P CA 0.483 62.747 63.100 -1.394 0.000 0.765 414 P CB 0.117 31.090 31.700 -1.212 0.000 0.936 415 S N -0.829 114.754 115.700 -0.196 0.000 2.945 415 S HA 0.241 4.685 4.470 -0.043 0.000 0.227 415 S C -0.048 174.569 174.600 0.028 0.000 1.353 415 S CA -0.299 57.854 58.200 -0.078 0.000 1.236 415 S CB -0.871 62.291 63.200 -0.063 0.000 1.069 415 S HN 0.100 nan 8.310 nan 0.000 0.509 416 H N -0.944 118.129 119.070 0.004 0.000 2.935 416 H HA 0.457 4.987 4.556 -0.043 0.000 0.297 416 H C 0.719 176.111 175.328 0.108 0.000 1.423 416 H CA 0.002 56.075 56.048 0.043 0.000 1.161 416 H CB 1.310 31.105 29.762 0.054 0.000 1.841 416 H HN 0.198 nan 8.280 nan 0.000 0.506 417 A N 0.873 124.007 122.820 0.523 0.000 1.877 417 A HA -0.150 4.144 4.320 -0.043 0.000 0.216 417 A C 1.687 179.395 177.584 0.207 0.000 1.186 417 A CA 2.022 54.213 52.037 0.257 0.000 0.620 417 A CB -0.336 18.583 19.000 -0.135 0.000 0.822 417 A HN 0.722 nan 8.150 nan 0.000 0.443 418 D N -1.111 119.360 120.400 0.118 0.000 2.117 418 D HA -0.153 4.462 4.640 -0.043 0.000 0.197 418 D C 1.690 178.060 176.300 0.117 0.000 0.987 418 D CA 1.522 55.585 54.000 0.104 0.000 0.829 418 D CB -0.390 40.393 40.800 -0.030 0.000 0.961 418 D HN 0.470 nan 8.370 nan 0.000 0.460 419 F N 2.316 122.292 119.950 0.043 0.000 2.046 419 F HA -0.228 4.274 4.527 -0.042 0.000 0.297 419 F C 2.442 178.263 175.800 0.035 0.000 1.123 419 F CA 1.466 59.489 58.000 0.038 0.000 1.199 419 F CB -0.361 38.670 39.000 0.053 0.000 0.972 419 F HN -0.192 nan 8.300 nan 0.000 0.474 420 Q N 0.736 120.818 119.800 0.471 0.000 2.096 420 Q HA -0.251 4.064 4.340 -0.043 0.000 0.208 420 Q C 2.471 178.502 176.000 0.052 0.000 0.993 420 Q CA 1.954 57.930 55.803 0.288 0.000 0.862 420 Q CB -1.392 27.499 28.738 0.256 0.000 0.915 420 Q HN 0.590 nan 8.270 nan 0.000 0.416 421 A N 0.677 123.568 122.820 0.117 0.000 1.969 421 A HA -0.169 4.125 4.320 -0.043 0.000 0.218 421 A C 1.912 179.429 177.584 -0.112 0.000 1.169 421 A CA 1.240 53.301 52.037 0.040 0.000 0.635 421 A CB -0.290 18.771 19.000 0.102 0.000 0.810 421 A HN 0.408 nan 8.150 nan 0.000 0.445 422 Q N -1.246 118.457 119.800 -0.162 0.000 2.425 422 Q HA -0.060 4.255 4.340 -0.043 0.000 0.204 422 Q C 1.908 177.746 176.000 -0.269 0.000 0.933 422 Q CA 0.467 56.139 55.803 -0.218 0.000 0.939 422 Q CB 0.069 28.675 28.738 -0.219 0.000 1.044 422 Q HN 0.640 nan 8.270 nan 0.000 0.513 423 Q N 1.109 120.731 119.800 -0.298 0.000 1.998 423 Q HA -0.145 4.169 4.340 -0.043 0.000 0.209 423 Q C 1.553 177.456 176.000 -0.162 0.000 1.002 423 Q CA 2.079 57.719 55.803 -0.272 0.000 0.858 423 Q CB -0.873 27.784 28.738 -0.137 0.000 0.932 423 Q HN 0.435 nan 8.270 nan 0.000 0.416 424 G N -0.113 108.615 108.800 -0.121 0.000 3.229 424 G HA2 0.170 4.104 3.960 -0.043 0.000 0.214 424 G HA3 0.170 4.104 3.960 -0.043 0.000 0.214 424 G C -0.375 174.476 174.900 -0.080 0.000 1.256 424 G CA -0.178 44.870 45.100 -0.086 0.000 1.042 424 G HN 0.215 nan 8.290 nan 0.000 0.497 425 L N 0.481 121.645 121.223 -0.098 0.000 2.282 425 L HA 0.379 4.693 4.340 -0.043 0.000 0.288 425 L C 1.578 178.411 176.870 -0.063 0.000 1.033 425 L CA -0.881 53.911 54.840 -0.080 0.000 0.807 425 L CB 1.824 43.827 42.059 -0.094 0.000 1.209 425 L HN 0.147 nan 8.230 nan 0.000 0.423 426 A N 1.630 124.425 122.820 -0.041 0.000 2.125 426 A HA -0.157 4.137 4.320 -0.043 0.000 0.219 426 A C 1.568 179.136 177.584 -0.026 0.000 1.156 426 A CA 1.327 53.347 52.037 -0.028 0.000 0.671 426 A CB -0.246 18.744 19.000 -0.017 0.000 0.794 426 A HN 0.794 nan 8.150 nan 0.000 0.459 427 D N -0.730 119.652 120.400 -0.030 0.000 2.249 427 D HA -0.036 4.578 4.640 -0.043 0.000 0.205 427 D C 1.849 178.129 176.300 -0.033 0.000 0.962 427 D CA 0.745 54.732 54.000 -0.022 0.000 0.860 427 D CB -0.008 40.784 40.800 -0.014 0.000 0.955 427 D HN 0.262 nan 8.370 nan 0.000 0.505 428 K N 1.185 121.547 120.400 -0.062 0.000 2.032 428 K HA -0.179 4.115 4.320 -0.043 0.000 0.218 428 K C -1.010 175.556 176.600 -0.058 0.000 1.054 428 K CA 1.690 57.922 56.287 -0.092 0.000 0.941 428 K CB -1.318 31.084 32.500 -0.164 0.000 0.720 428 K HN 0.143 nan 8.250 nan 0.000 0.449 429 P HA -0.169 nan 4.420 nan 0.000 0.216 429 P C 1.289 178.589 177.300 0.000 0.000 1.153 429 P CA 1.132 64.227 63.100 -0.008 0.000 0.858 429 P CB -0.045 31.654 31.700 -0.001 0.000 0.789 430 L N -0.999 120.222 121.223 -0.002 0.000 2.093 430 L HA -0.086 4.229 4.340 -0.043 0.000 0.208 430 L C 2.118 178.991 176.870 0.006 0.000 1.085 430 L CA 1.638 56.481 54.840 0.004 0.000 0.755 430 L CB -1.166 40.896 42.059 0.005 0.000 0.904 430 L HN -0.111 nan 8.230 nan 0.000 0.435 431 I N -0.323 120.248 120.570 0.001 0.000 2.202 431 I HA -0.254 3.890 4.170 -0.043 0.000 0.242 431 I C 1.925 178.049 176.117 0.012 0.000 1.091 431 I CA 1.369 62.674 61.300 0.009 0.000 1.368 431 I CB -0.539 37.463 38.000 0.003 0.000 1.058 431 I HN 0.276 nan 8.210 nan 0.000 0.410 432 D N 0.847 121.253 120.400 0.010 0.000 2.219 432 D HA -0.176 4.439 4.640 -0.043 0.000 0.205 432 D C 2.068 178.386 176.300 0.030 0.000 0.970 432 D CA 0.854 54.872 54.000 0.030 0.000 0.851 432 D CB -0.190 40.638 40.800 0.047 0.000 0.943 432 D HN 0.274 nan 8.370 nan 0.000 0.488 433 K N 1.271 121.683 120.400 0.021 0.000 2.057 433 K HA -0.135 4.160 4.320 -0.043 0.000 0.206 433 K C 1.678 178.284 176.600 0.010 0.000 1.050 433 K CA 0.952 57.250 56.287 0.019 0.000 0.935 433 K CB 0.097 32.607 32.500 0.016 0.000 0.715 433 K HN 0.144 nan 8.250 nan 0.000 0.439 434 E N 0.197 120.397 120.200 0.000 0.000 2.274 434 E HA -0.070 4.255 4.350 -0.043 0.000 0.194 434 E C 2.001 178.572 176.600 -0.048 0.000 0.996 434 E CA 0.505 56.892 56.400 -0.021 0.000 0.840 434 E CB 0.057 29.745 29.700 -0.019 0.000 0.772 434 E HN 0.328 nan 8.360 nan 0.000 0.491 435 I N 0.504 121.061 120.570 -0.021 0.000 2.353 435 I HA -0.120 4.025 4.170 -0.043 0.000 0.248 435 I C 2.445 178.560 176.117 -0.003 0.000 1.119 435 I CA 0.942 62.229 61.300 -0.022 0.000 1.417 435 I CB -0.239 37.777 38.000 0.027 0.000 1.078 435 I HN 0.132 nan 8.210 nan 0.000 0.421 436 G N 0.184 108.996 108.800 0.019 0.000 2.403 436 G HA2 -0.171 3.763 3.960 -0.043 0.000 0.216 436 G HA3 -0.171 3.763 3.960 -0.043 0.000 0.216 436 G C 1.512 176.432 174.900 0.033 0.000 1.154 436 G CA 0.317 45.440 45.100 0.039 0.000 0.784 436 G HN 0.375 nan 8.290 nan 0.000 0.538 437 E N -0.279 119.926 120.200 0.007 0.000 2.152 437 E HA -0.036 4.288 4.350 -0.043 0.000 0.192 437 E C 2.526 179.112 176.600 -0.023 0.000 0.983 437 E CA 0.553 56.956 56.400 0.005 0.000 0.818 437 E CB -0.062 29.633 29.700 -0.007 0.000 0.758 437 E HN 0.257 nan 8.360 nan 0.000 0.467 438 V N 0.868 120.722 119.914 -0.100 0.000 2.427 438 V HA -0.186 3.909 4.120 -0.043 0.000 0.248 438 V C 1.754 177.829 176.094 -0.033 0.000 1.051 438 V CA 1.269 63.440 62.300 -0.215 0.000 1.048 438 V CB -0.042 31.453 31.823 -0.547 0.000 0.666 438 V HN 0.188 nan 8.190 nan 0.000 0.456 439 L N 0.261 121.495 121.223 0.019 0.000 2.465 439 L HA 0.189 4.504 4.340 -0.043 0.000 0.224 439 L C 2.215 179.138 176.870 0.088 0.000 1.145 439 L CA 1.759 56.625 54.840 0.042 0.000 0.834 439 L CB -1.103 41.025 42.059 0.116 0.000 0.944 439 L HN 0.411 nan 8.230 nan 0.000 0.451 440 A N -2.644 120.265 122.820 0.148 0.000 2.288 440 A HA 0.155 4.449 4.320 -0.043 0.000 0.216 440 A C 1.198 178.906 177.584 0.206 0.000 1.199 440 A CA 0.207 52.354 52.037 0.185 0.000 0.891 440 A CB -0.049 19.035 19.000 0.140 0.000 0.923 440 A HN 0.252 nan 8.150 nan 0.000 0.500 441 T N -1.083 113.562 114.554 0.152 0.000 2.837 441 T HA 0.423 4.748 4.350 -0.043 0.000 0.285 441 T C 0.348 174.985 174.700 -0.105 0.000 0.984 441 T CA -0.286 61.864 62.100 0.084 0.000 1.049 441 T CB 0.467 69.352 68.868 0.029 0.000 0.947 441 T HN 0.392 nan 8.240 nan 0.000 0.472 442 H N 1.789 120.847 119.070 -0.019 0.000 2.539 442 H HA 0.292 4.822 4.556 -0.042 0.000 0.269 442 H C 0.287 175.561 175.328 -0.090 0.000 0.980 442 H CA -0.109 55.885 56.048 -0.091 0.000 1.152 442 H CB 0.349 30.114 29.762 0.005 0.000 1.407 442 H HN 0.462 nan 8.280 nan 0.000 0.564 443 D N 0.995 121.409 120.400 0.022 0.000 2.396 443 D HA -0.010 4.604 4.640 -0.043 0.000 0.225 443 D C 0.670 176.961 176.300 -0.015 0.000 1.121 443 D CA -0.069 53.940 54.000 0.015 0.000 0.853 443 D CB 0.859 41.678 40.800 0.031 0.000 1.043 443 D HN 0.158 nan 8.370 nan 0.000 0.500 444 E N 1.567 121.766 120.200 -0.002 0.000 2.130 444 E HA -0.184 4.140 4.350 -0.043 0.000 0.196 444 E C 1.876 178.518 176.600 0.070 0.000 0.998 444 E CA 1.484 57.908 56.400 0.041 0.000 0.806 444 E CB -0.171 29.565 29.700 0.060 0.000 0.738 444 E HN 0.705 nan 8.360 nan 0.000 0.459 445 T N -1.721 112.863 114.554 0.050 0.000 2.904 445 T HA -0.107 4.217 4.350 -0.043 0.000 0.267 445 T C 1.822 176.547 174.700 0.042 0.000 1.059 445 T CA 0.992 63.124 62.100 0.054 0.000 1.137 445 T CB -0.068 68.824 68.868 0.041 0.000 0.879 445 T HN 0.126 nan 8.240 nan 0.000 0.467 446 Q N 0.208 120.020 119.800 0.021 0.000 2.123 446 Q HA 0.075 4.389 4.340 -0.043 0.000 0.199 446 Q C 2.631 178.618 176.000 -0.022 0.000 0.966 446 Q CA 0.842 56.648 55.803 0.004 0.000 0.845 446 Q CB -0.124 28.616 28.738 0.002 0.000 0.907 446 Q HN 0.506 nan 8.270 nan 0.000 0.439 447 R N 0.734 121.210 120.500 -0.040 0.000 2.075 447 R HA -0.144 4.171 4.340 -0.043 0.000 0.232 447 R C 2.200 178.482 176.300 -0.029 0.000 1.126 447 R CA 1.378 57.406 56.100 -0.121 0.000 0.963 447 R CB 0.105 30.304 30.300 -0.169 0.000 0.858 447 R HN 0.328 nan 8.270 nan 0.000 0.435 448 Q N -0.554 119.314 119.800 0.114 0.000 2.050 448 Q HA -0.148 4.166 4.340 -0.043 0.000 0.202 448 Q C 2.111 178.206 176.000 0.159 0.000 0.980 448 Q CA 1.678 57.621 55.803 0.233 0.000 0.840 448 Q CB -0.138 28.727 28.738 0.212 0.000 0.898 448 Q HN 0.366 nan 8.270 nan 0.000 0.424 449 A N 0.826 123.698 122.820 0.087 0.000 1.933 449 A HA -0.139 4.155 4.320 -0.043 0.000 0.218 449 A C 2.089 179.701 177.584 0.047 0.000 1.175 449 A CA 1.007 53.083 52.037 0.064 0.000 0.628 449 A CB -0.593 18.432 19.000 0.041 0.000 0.814 449 A HN 0.253 nan 8.150 nan 0.000 0.444 450 L N -2.265 118.954 121.223 -0.006 0.000 1.994 450 L HA -0.201 4.113 4.340 -0.043 0.000 0.208 450 L C 2.564 179.413 176.870 -0.036 0.000 1.071 450 L CA 1.635 56.434 54.840 -0.067 0.000 0.745 450 L CB -0.735 41.213 42.059 -0.185 0.000 0.892 450 L HN 0.475 nan 8.230 nan 0.000 0.431 451 Y N -0.192 120.090 120.300 -0.031 0.000 2.207 451 Y HA -0.322 4.202 4.550 -0.043 0.000 0.287 451 Y C 2.885 178.820 175.900 0.060 0.000 1.156 451 Y CA 1.526 59.630 58.100 0.007 0.000 1.182 451 Y CB -0.218 38.227 38.460 -0.024 0.000 0.979 451 Y HN 0.134 nan 8.280 nan 0.000 0.521 452 R N 0.550 121.177 120.500 0.211 0.000 2.081 452 R HA -0.201 4.113 4.340 -0.043 0.000 0.235 452 R C 1.788 178.158 176.300 0.117 0.000 1.131 452 R CA 2.200 58.389 56.100 0.148 0.000 0.960 452 R CB -0.443 29.925 30.300 0.114 0.000 0.856 452 R HN 0.331 nan 8.270 nan 0.000 0.436 453 D N -0.210 120.244 120.400 0.091 0.000 2.117 453 D HA -0.103 4.511 4.640 -0.043 0.000 0.198 453 D C 1.886 178.237 176.300 0.086 0.000 0.982 453 D CA 1.604 55.648 54.000 0.073 0.000 0.828 453 D CB 0.080 40.907 40.800 0.046 0.000 0.967 453 D HN 0.325 nan 8.370 nan 0.000 0.464 454 I N 0.251 120.876 120.570 0.092 0.000 2.090 454 I HA -0.260 3.885 4.170 -0.043 0.000 0.236 454 I C 2.387 178.598 176.117 0.157 0.000 1.064 454 I CA 0.879 62.245 61.300 0.110 0.000 1.324 454 I CB -0.485 37.582 38.000 0.112 0.000 1.044 454 I HN 0.106 nan 8.210 nan 0.000 0.399 455 L N 0.182 121.528 121.223 0.205 0.000 2.187 455 L HA -0.209 4.105 4.340 -0.043 0.000 0.213 455 L C 2.542 179.527 176.870 0.192 0.000 1.100 455 L CA 1.409 56.384 54.840 0.226 0.000 0.765 455 L CB -1.019 41.192 42.059 0.253 0.000 0.904 455 L HN 0.346 nan 8.230 nan 0.000 0.437 456 T N -1.093 113.553 114.554 0.153 0.000 2.942 456 T HA -0.078 4.246 4.350 -0.043 0.000 0.265 456 T C 2.059 176.854 174.700 0.158 0.000 1.062 456 T CA 0.830 63.017 62.100 0.145 0.000 1.139 456 T CB 0.003 68.934 68.868 0.105 0.000 0.883 456 T HN 0.289 nan 8.240 nan 0.000 0.468 457 R N 0.545 121.120 120.500 0.126 0.000 2.057 457 R HA 0.131 4.446 4.340 -0.043 0.000 0.229 457 R C 2.461 178.823 176.300 0.102 0.000 1.136 457 R CA 0.965 57.121 56.100 0.094 0.000 0.952 457 R CB -0.553 29.787 30.300 0.068 0.000 0.848 457 R HN 0.299 nan 8.270 nan 0.000 0.430 458 L N -0.038 121.266 121.223 0.136 0.000 2.043 458 L HA -0.296 4.019 4.340 -0.043 0.000 0.212 458 L C 2.781 179.750 176.870 0.164 0.000 1.075 458 L CA 1.511 56.445 54.840 0.157 0.000 0.752 458 L CB -0.789 41.424 42.059 0.256 0.000 0.891 458 L HN 0.430 nan 8.230 nan 0.000 0.432 459 H N 0.223 119.354 119.070 0.102 0.000 2.299 459 H HA -0.160 4.369 4.556 -0.045 0.000 0.302 459 H C 1.719 177.072 175.328 0.042 0.000 1.078 459 H CA 1.914 58.009 56.048 0.079 0.000 1.323 459 H CB 0.230 30.038 29.762 0.078 0.000 1.381 459 H HN 0.300 nan 8.280 nan 0.000 0.498 460 D N 0.627 121.086 120.400 0.099 0.000 2.178 460 D HA -0.107 4.508 4.640 -0.043 0.000 0.201 460 D C 1.761 178.039 176.300 -0.038 0.000 0.980 460 D CA 0.884 54.901 54.000 0.027 0.000 0.842 460 D CB -0.234 40.617 40.800 0.085 0.000 0.948 460 D HN 0.591 nan 8.370 nan 0.000 0.472 461 E N 0.111 120.296 120.200 -0.025 0.000 2.511 461 E HA 0.204 4.528 4.350 -0.043 0.000 0.196 461 E C 0.484 177.027 176.600 -0.096 0.000 1.066 461 E CA 0.365 56.736 56.400 -0.049 0.000 0.871 461 E CB 0.115 29.794 29.700 -0.035 0.000 0.863 461 E HN 0.143 nan 8.360 nan 0.000 0.520 462 A N 0.636 123.376 122.820 -0.134 0.000 2.610 462 A HA -0.204 4.091 4.320 -0.043 0.000 0.299 462 A C 1.310 178.792 177.584 -0.169 0.000 1.487 462 A CA 0.485 52.416 52.037 -0.176 0.000 0.743 462 A CB -2.267 16.614 19.000 -0.197 0.000 1.070 462 A HN 0.204 nan 8.150 nan 0.000 0.439 463 V N -1.516 118.286 119.914 -0.187 0.000 2.453 463 V HA -0.068 4.026 4.120 -0.043 0.000 0.247 463 V C 1.271 177.056 176.094 -0.517 0.000 1.048 463 V CA 2.117 64.187 62.300 -0.383 0.000 1.049 463 V CB -0.568 30.918 31.823 -0.561 0.000 0.672 463 V HN 0.696 nan 8.190 nan 0.000 0.457 464 Y N -1.770 118.491 120.300 -0.065 0.000 2.650 464 Y HA 0.681 5.205 4.550 -0.044 0.000 0.331 464 Y C -0.214 175.618 175.900 -0.113 0.000 1.082 464 Y CA -1.061 56.997 58.100 -0.070 0.000 1.171 464 Y CB 1.622 40.050 38.460 -0.052 0.000 1.326 464 Y HN -0.159 nan 8.280 nan 0.000 0.513 465 L N 3.397 124.659 121.223 0.064 0.000 2.470 465 L HA 0.506 4.820 4.340 -0.043 0.000 0.253 465 L C -2.852 173.989 176.870 -0.048 0.000 1.163 465 L CA -1.975 52.840 54.840 -0.042 0.000 0.932 465 L CB 1.080 43.080 42.059 -0.097 0.000 1.213 465 L HN 0.333 nan 8.230 nan 0.000 0.485 466 P HA 0.075 nan 4.420 nan 0.000 0.264 466 P C 0.266 177.481 177.300 -0.142 0.000 1.183 466 P CA 0.572 63.606 63.100 -0.110 0.000 0.763 466 P CB 0.952 32.594 31.700 -0.096 0.000 0.807 467 I N 0.045 120.511 120.570 -0.172 0.000 3.570 467 I HA 0.121 4.265 4.170 -0.043 0.000 0.270 467 I C 0.855 176.836 176.117 -0.227 0.000 1.162 467 I CA 0.567 61.776 61.300 -0.152 0.000 1.413 467 I CB 0.340 38.291 38.000 -0.080 0.000 1.437 467 I HN 0.327 nan 8.210 nan 0.000 0.457 468 S N -1.050 114.479 115.700 -0.284 0.000 2.567 468 S HA 0.492 4.936 4.470 -0.043 0.000 0.270 468 S C -1.981 172.406 174.600 -0.356 0.000 1.152 468 S CA -0.462 57.529 58.200 -0.348 0.000 0.835 468 S CB 0.999 64.103 63.200 -0.160 0.000 1.115 468 S HN 0.061 nan 8.310 nan 0.000 0.459 469 Y N 2.789 123.061 120.300 -0.047 0.000 2.353 469 Y HA 0.523 5.048 4.550 -0.043 0.000 0.340 469 Y C 0.537 176.403 175.900 -0.056 0.000 0.972 469 Y CA -1.127 56.939 58.100 -0.056 0.000 1.157 469 Y CB 0.460 38.892 38.460 -0.047 0.000 1.157 469 Y HN 0.664 nan 8.280 nan 0.000 0.495 470 I N -0.685 119.927 120.570 0.071 0.000 2.783 470 I HA 0.801 4.945 4.170 -0.043 0.000 0.312 470 I C 0.062 176.165 176.117 -0.024 0.000 0.988 470 I CA -0.368 60.933 61.300 0.002 0.000 1.182 470 I CB 1.533 39.516 38.000 -0.027 0.000 1.368 470 I HN 0.311 nan 8.210 nan 0.000 0.511 471 S N 3.173 118.831 115.700 -0.069 0.000 2.726 471 S HA 0.659 5.104 4.470 -0.043 0.000 0.308 471 S C -0.410 174.096 174.600 -0.158 0.000 1.115 471 S CA -0.858 57.273 58.200 -0.116 0.000 0.965 471 S CB 1.294 64.424 63.200 -0.116 0.000 1.145 471 S HN 0.539 nan 8.310 nan 0.000 0.532 472 M N 2.544 122.017 119.600 -0.212 0.000 2.300 472 M HA 0.463 4.917 4.480 -0.043 0.000 0.348 472 M C -0.463 175.689 176.300 -0.247 0.000 1.151 472 M CA -0.105 55.061 55.300 -0.224 0.000 1.046 472 M CB 0.919 33.361 32.600 -0.263 0.000 1.647 472 M HN 0.709 nan 8.290 nan 0.000 0.451 473 M N 1.926 121.352 119.600 -0.290 0.000 2.664 473 M HA 0.907 5.361 4.480 -0.043 0.000 0.314 473 M C -1.107 175.034 176.300 -0.265 0.000 1.200 473 M CA -1.044 54.057 55.300 -0.331 0.000 0.916 473 M CB 2.047 34.211 32.600 -0.727 0.000 1.717 473 M HN 0.279 nan 8.290 nan 0.000 0.470 474 V N 1.608 121.452 119.914 -0.117 0.000 2.841 474 V HA 0.695 4.789 4.120 -0.043 0.000 0.310 474 V C -0.960 175.129 176.094 -0.010 0.000 1.090 474 V CA -0.702 61.532 62.300 -0.111 0.000 0.930 474 V CB 2.416 34.144 31.823 -0.158 0.000 1.014 474 V HN 0.779 nan 8.190 nan 0.000 0.425 475 V N 3.399 123.244 119.914 -0.115 0.000 2.569 475 V HA 0.838 4.932 4.120 -0.043 0.000 0.301 475 V C -0.306 175.546 176.094 -0.404 0.000 1.044 475 V CA -0.238 61.873 62.300 -0.315 0.000 0.874 475 V CB 1.969 33.491 31.823 -0.502 0.000 1.002 475 V HN 1.085 nan 8.190 nan 0.000 0.424 476 S N 3.575 119.148 115.700 -0.211 0.000 2.625 476 S HA 0.651 5.096 4.470 -0.043 0.000 0.271 476 S C -1.155 173.619 174.600 0.290 0.000 1.161 476 S CA -1.234 57.014 58.200 0.081 0.000 0.820 476 S CB 1.942 65.230 63.200 0.147 0.000 1.137 476 S HN 0.507 nan 8.310 nan 0.000 0.470 477 K N 1.236 121.816 120.400 0.299 0.000 2.322 477 K HA 0.276 4.570 4.320 -0.043 0.000 0.283 477 K C -1.975 174.706 176.600 0.135 0.000 1.042 477 K CA -1.986 54.426 56.287 0.207 0.000 0.958 477 K CB 0.455 33.013 32.500 0.096 0.000 0.984 477 K HN 0.345 nan 8.250 nan 0.000 0.473 478 P HA -0.258 nan 4.420 nan 0.000 0.220 478 P C 0.832 178.124 177.300 -0.013 0.000 1.144 478 P CA 1.169 64.291 63.100 0.036 0.000 0.800 478 P CB 0.123 31.855 31.700 0.053 0.000 0.772 479 E N 0.199 120.405 120.200 0.009 0.000 2.338 479 E HA -0.136 4.189 4.350 -0.043 0.000 0.197 479 E C 1.442 178.036 176.600 -0.010 0.000 1.007 479 E CA 0.902 57.300 56.400 -0.004 0.000 0.849 479 E CB -0.981 28.721 29.700 0.003 0.000 0.774 479 E HN 0.318 nan 8.360 nan 0.000 0.506 480 L N 0.841 122.061 121.223 -0.004 0.000 2.599 480 L HA 0.155 4.469 4.340 -0.043 0.000 0.230 480 L C 1.369 178.214 176.870 -0.042 0.000 1.141 480 L CA 0.274 55.112 54.840 -0.003 0.000 0.877 480 L CB -0.728 41.349 42.059 0.029 0.000 1.009 480 L HN 0.336 nan 8.230 nan 0.000 0.447 481 G N 0.831 109.574 108.800 -0.096 0.000 2.569 481 G HA2 -0.319 3.616 3.960 -0.043 0.000 0.259 481 G HA3 -0.319 3.616 3.960 -0.043 0.000 0.259 481 G C -0.055 174.718 174.900 -0.211 0.000 1.263 481 G CA -0.332 44.680 45.100 -0.147 0.000 0.928 481 G HN 0.332 nan 8.290 nan 0.000 0.572 482 N N 0.635 119.245 118.700 -0.150 0.000 2.475 482 N HA 0.253 4.967 4.740 -0.043 0.000 0.267 482 N C 0.149 175.618 175.510 -0.068 0.000 1.169 482 N CA -0.339 52.650 53.050 -0.102 0.000 0.947 482 N CB 0.142 38.594 38.487 -0.060 0.000 1.061 482 N HN 0.373 nan 8.380 nan 0.000 0.466 483 I N 6.018 126.555 120.570 -0.055 0.000 2.312 483 I HA 0.261 4.406 4.170 -0.043 0.000 0.291 483 I C -1.692 174.266 176.117 -0.264 0.000 1.031 483 I CA -2.433 58.813 61.300 -0.091 0.000 1.293 483 I CB 0.465 38.446 38.000 -0.032 0.000 1.403 483 I HN 0.308 nan 8.210 nan 0.000 0.484 484 P HA 0.211 nan 4.420 nan 0.000 0.276 484 P C -1.347 175.826 177.300 -0.211 0.000 1.252 484 P CA -0.142 62.833 63.100 -0.208 0.000 0.802 484 P CB 0.772 32.436 31.700 -0.060 0.000 1.035 485 Y N -0.473 119.890 120.300 0.105 0.000 2.387 485 Y HA 0.512 5.037 4.550 -0.042 0.000 0.336 485 Y C 0.879 176.837 175.900 0.096 0.000 1.067 485 Y CA -1.193 56.989 58.100 0.137 0.000 1.114 485 Y CB 1.700 40.212 38.460 0.085 0.000 1.208 485 Y HN 0.390 nan 8.280 nan 0.000 0.458 486 A N 4.158 127.138 122.820 0.266 0.000 2.331 486 A HA 0.368 4.663 4.320 -0.043 0.000 0.283 486 A C -1.872 175.819 177.584 0.177 0.000 1.142 486 A CA -1.485 50.646 52.037 0.156 0.000 0.812 486 A CB 0.386 19.444 19.000 0.097 0.000 1.074 486 A HN 0.657 nan 8.150 nan 0.000 0.497 487 P HA -0.097 nan 4.420 nan 0.000 0.216 487 P C 0.059 177.535 177.300 0.292 0.000 1.150 487 P CA 0.985 64.217 63.100 0.220 0.000 0.843 487 P CB 0.025 31.831 31.700 0.178 0.000 0.787 488 I N -0.383 120.330 120.570 0.239 0.000 2.379 488 I HA 0.079 4.224 4.170 -0.043 0.000 0.290 488 I C 1.573 177.795 176.117 0.174 0.000 1.063 488 I CA -0.496 60.904 61.300 0.166 0.000 1.351 488 I CB 1.262 39.332 38.000 0.116 0.000 1.410 488 I HN -0.051 nan 8.210 nan 0.000 0.505 489 A N 4.737 127.667 122.820 0.184 0.000 1.958 489 A HA -0.221 4.073 4.320 -0.043 0.000 0.221 489 A C 2.107 179.793 177.584 0.169 0.000 1.178 489 A CA 2.520 54.657 52.037 0.167 0.000 0.642 489 A CB -0.859 18.237 19.000 0.160 0.000 0.816 489 A HN 0.810 nan 8.150 nan 0.000 0.453 490 T N -1.879 112.777 114.554 0.171 0.000 3.148 490 T HA 0.170 4.494 4.350 -0.043 0.000 0.253 490 T C 0.425 175.204 174.700 0.132 0.000 1.134 490 T CA 0.325 62.511 62.100 0.145 0.000 1.051 490 T CB -0.176 68.748 68.868 0.094 0.000 0.959 490 T HN 0.607 nan 8.240 nan 0.000 0.525 491 E N 0.762 121.027 120.200 0.108 0.000 2.250 491 E HA 0.595 4.920 4.350 -0.043 0.000 0.269 491 E C -0.715 175.834 176.600 -0.084 0.000 1.018 491 E CA -0.823 55.604 56.400 0.045 0.000 0.873 491 E CB 1.619 31.346 29.700 0.046 0.000 1.134 491 E HN 0.334 nan 8.360 nan 0.000 0.403 492 I N 2.805 123.212 120.570 -0.272 0.000 2.411 492 I HA 0.187 4.331 4.170 -0.043 0.000 0.284 492 I C -1.960 173.782 176.117 -0.625 0.000 1.012 492 I CA -2.146 58.672 61.300 -0.805 0.000 1.119 492 I CB 1.794 39.007 38.000 -1.312 0.000 1.261 492 I HN 0.262 nan 8.210 nan 0.000 0.448 493 P HA 0.033 nan 4.420 nan 0.000 0.249 493 P C 0.946 178.159 177.300 -0.146 0.000 1.686 493 P CA 0.083 63.069 63.100 -0.190 0.000 0.873 493 P CB -0.368 31.285 31.700 -0.079 0.000 1.828 494 F N 2.057 121.931 119.950 -0.128 0.000 2.141 494 F HA -0.256 4.246 4.527 -0.042 0.000 0.300 494 F C 2.456 178.328 175.800 0.119 0.000 1.079 494 F CA 1.601 59.529 58.000 -0.119 0.000 1.264 494 F CB -0.677 38.073 39.000 -0.416 0.000 1.011 494 F HN 0.176 nan 8.300 nan 0.000 0.487 495 E N 0.877 121.341 120.200 0.440 0.000 2.401 495 E HA -0.230 4.095 4.350 -0.043 0.000 0.199 495 E C 1.457 178.166 176.600 0.181 0.000 1.023 495 E CA 1.181 57.799 56.400 0.363 0.000 0.859 495 E CB -0.672 29.165 29.700 0.228 0.000 0.780 495 E HN 0.584 nan 8.360 nan 0.000 0.523 496 Q N 0.194 120.072 119.800 0.129 0.000 2.408 496 Q HA 0.243 4.558 4.340 -0.043 0.000 0.205 496 Q C 0.592 176.631 176.000 0.064 0.000 0.919 496 Q CA -0.100 55.747 55.803 0.074 0.000 0.932 496 Q CB 0.440 29.202 28.738 0.041 0.000 1.058 496 Q HN 0.307 nan 8.270 nan 0.000 0.517 497 I N 2.597 123.220 120.570 0.088 0.000 2.483 497 I HA -0.028 4.116 4.170 -0.043 0.000 0.291 497 I C -0.168 175.993 176.117 0.074 0.000 1.112 497 I CA 0.100 61.444 61.300 0.073 0.000 1.350 497 I CB 0.208 38.267 38.000 0.098 0.000 1.419 497 I HN -0.287 nan 8.210 nan 0.000 0.523 498 K N 8.398 128.824 120.400 0.044 0.000 2.266 498 K HA 0.370 4.664 4.320 -0.043 0.000 0.274 498 K C -1.996 174.620 176.600 0.026 0.000 1.090 498 K CA -1.577 54.732 56.287 0.036 0.000 0.925 498 K CB 0.568 33.082 32.500 0.022 0.000 1.225 498 K HN 0.196 nan 8.250 nan 0.000 0.458 499 P HA 0.050 nan 4.420 nan 0.000 0.323 499 P C -0.399 176.908 177.300 0.011 0.000 1.374 499 P CA -0.454 62.660 63.100 0.022 0.000 0.798 499 P CB 0.461 32.178 31.700 0.028 0.000 1.763 500 V N 0.000 119.919 119.914 0.009 0.000 2.409 500 V HA 0.000 4.094 4.120 -0.043 0.000 0.244 500 V CA 0.000 62.302 62.300 0.003 0.000 1.235 500 V CB 0.000 31.823 31.823 -0.001 0.000 1.184 500 V HN 0.000 nan 8.190 nan 0.000 0.556