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 1h26_1_A DATA FIRST_RESID 0 DATA SEQUENCE SMENFQKVEK IGEGTYGVVY KARNKLTGEV VALKKIRLDT ETEGVPSTAI DATA SEQUENCE REISLLKELN HPNIVKLLDV IHTENKLYLV FEFLHQDLKK FMDASALTGI DATA SEQUENCE PLPLIKSYLF QLLQGLAFCH SHRVLHRDLK PQNLLINTEG AIKLADFGLA DATA SEQUENCE RAFGVPVRTY XHEVVTLWYR APEILLGCKY YSTAVDIWSL GCIFAEMVTR DATA SEQUENCE RALFPGDSEI DQLFRIFRTL GTPDEVVWPG VTSMPDYKPS FPKWARQDFS DATA SEQUENCE KVVPPLDEDG RSLLSQMLHY DPNKRISAKA ALAHPFFQDV TKPVPHLR 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.620 174.600 0.034 0.000 1.055 0 S CA 0.000 58.208 58.200 0.013 0.000 1.107 0 S CB 0.000 63.217 63.200 0.029 0.000 0.593 1 M N 3.100 122.700 119.600 0.001 0.000 2.610 1 M HA -0.048 4.432 4.480 -0.000 0.000 0.257 1 M C 1.538 177.852 176.300 0.024 0.000 1.070 1 M CA 1.081 56.401 55.300 0.033 0.000 1.047 1 M CB -1.652 30.835 32.600 -0.188 0.000 1.386 1 M HN 0.503 nan 8.290 nan 0.000 0.493 2 E N 1.035 121.217 120.200 -0.029 0.000 2.065 2 E HA -0.238 4.112 4.350 -0.000 0.000 0.201 2 E C 1.164 177.699 176.600 -0.108 0.000 1.016 2 E CA 1.379 57.743 56.400 -0.059 0.000 0.818 2 E CB 0.053 29.718 29.700 -0.059 0.000 0.749 2 E HN 0.574 nan 8.360 nan 0.000 0.453 3 N N -0.356 118.218 118.700 -0.211 0.000 2.521 3 N HA -0.024 4.716 4.740 -0.000 0.000 0.188 3 N C -0.587 174.632 175.510 -0.486 0.000 1.146 3 N CA 0.448 53.287 53.050 -0.352 0.000 0.893 3 N CB 0.062 38.271 38.487 -0.464 0.000 0.975 3 N HN 0.012 nan 8.380 nan 0.000 0.451 4 F N 0.879 120.782 119.950 -0.079 0.000 2.415 4 F HA 0.278 4.805 4.527 -0.000 0.000 0.348 4 F C 0.764 176.514 175.800 -0.083 0.000 1.119 4 F CA -1.087 56.865 58.000 -0.080 0.000 1.069 4 F CB 1.187 40.131 39.000 -0.094 0.000 1.124 4 F HN -0.215 nan 8.300 nan 0.000 0.472 5 Q N 4.172 124.040 119.800 0.113 0.000 2.368 5 Q HA 0.300 4.640 4.340 -0.000 0.000 0.256 5 Q C -0.838 175.184 176.000 0.037 0.000 0.980 5 Q CA -0.492 55.334 55.803 0.039 0.000 0.887 5 Q CB 0.799 29.541 28.738 0.008 0.000 1.221 5 Q HN 0.502 nan 8.270 nan 0.000 0.458 6 K N 2.220 122.616 120.400 -0.007 0.000 2.355 6 K HA 0.167 4.487 4.320 -0.000 0.000 0.270 6 K C -0.065 176.534 176.600 -0.002 0.000 1.003 6 K CA -0.188 56.083 56.287 -0.027 0.000 0.957 6 K CB 1.077 33.493 32.500 -0.140 0.000 0.939 6 K HN 0.515 nan 8.250 nan 0.000 0.482 7 V N 0.663 120.593 119.914 0.026 0.000 3.137 7 V HA 0.029 4.149 4.120 -0.000 0.000 0.236 7 V C -0.308 175.820 176.094 0.057 0.000 1.260 7 V CA 0.559 62.872 62.300 0.021 0.000 1.244 7 V CB 0.286 32.100 31.823 -0.015 0.000 1.016 7 V HN 1.012 nan 8.190 nan 0.000 0.477 8 E N -0.478 119.792 120.200 0.117 0.000 2.393 8 E HA 0.216 4.566 4.350 -0.000 0.000 0.282 8 E C -1.267 175.476 176.600 0.237 0.000 1.096 8 E CA -0.818 55.672 56.400 0.149 0.000 0.866 8 E CB 1.273 31.028 29.700 0.092 0.000 1.232 8 E HN -0.050 nan 8.360 nan 0.000 0.431 9 K N 2.587 123.121 120.400 0.223 0.000 2.350 9 K HA 0.210 4.530 4.320 -0.000 0.000 0.279 9 K C 0.205 176.817 176.600 0.020 0.000 1.027 9 K CA 0.043 56.377 56.287 0.078 0.000 0.969 9 K CB 0.607 33.129 32.500 0.036 0.000 0.954 9 K HN 0.664 nan 8.250 nan 0.000 0.474 10 I N 1.542 122.086 120.570 -0.043 0.000 3.790 10 I HA 0.147 4.317 4.170 -0.000 0.000 0.305 10 I C 1.043 177.135 176.117 -0.041 0.000 1.253 10 I CA 0.196 61.499 61.300 0.005 0.000 1.355 10 I CB 0.679 38.707 38.000 0.046 0.000 1.137 10 I HN 0.804 nan 8.210 nan 0.000 0.435 11 G N 0.697 109.441 108.800 -0.093 0.000 2.313 11 G HA2 0.275 4.235 3.960 -0.000 0.000 0.296 11 G HA3 0.275 4.235 3.960 -0.000 0.000 0.296 11 G C -1.865 172.964 174.900 -0.119 0.000 1.356 11 G CA -0.569 44.477 45.100 -0.089 0.000 0.833 11 G HN 0.003 nan 8.290 nan 0.000 0.552 12 E N -1.394 118.750 120.200 -0.094 0.000 2.343 12 E HA 0.722 5.072 4.350 -0.000 0.000 0.270 12 E C 0.466 177.023 176.600 -0.071 0.000 0.895 12 E CA -0.115 56.231 56.400 -0.089 0.000 0.767 12 E CB 1.965 31.622 29.700 -0.073 0.000 1.248 12 E HN 0.885 nan 8.360 nan 0.000 0.440 13 G N 0.338 109.105 108.800 -0.056 0.000 3.407 13 G HA2 0.231 4.191 3.960 -0.000 0.000 0.187 13 G HA3 0.231 4.191 3.960 -0.000 0.000 0.187 13 G C 0.324 175.200 174.900 -0.040 0.000 1.262 13 G CA 0.544 45.623 45.100 -0.035 0.000 0.808 13 G HN 0.574 nan 8.290 nan 0.000 0.687 14 T N -0.952 113.598 114.554 -0.005 0.000 3.234 14 T HA 0.139 4.489 4.350 -0.000 0.000 0.235 14 T C 0.803 175.400 174.700 -0.171 0.000 0.971 14 T CA 0.610 62.643 62.100 -0.112 0.000 1.292 14 T CB -0.060 68.770 68.868 -0.064 0.000 0.994 14 T HN 0.264 nan 8.240 nan 0.000 0.412 15 Y N 2.154 122.443 120.300 -0.019 0.000 2.781 15 Y HA 0.742 5.292 4.550 -0.000 0.000 0.326 15 Y C 0.980 176.867 175.900 -0.021 0.000 1.019 15 Y CA -1.127 56.962 58.100 -0.017 0.000 1.372 15 Y CB 0.365 38.816 38.460 -0.014 0.000 1.260 15 Y HN 0.642 nan 8.280 nan 0.000 0.546 16 G N -1.137 107.725 108.800 0.105 0.000 2.512 16 G HA2 0.469 4.429 3.960 -0.000 0.000 0.181 16 G HA3 0.469 4.429 3.960 -0.000 0.000 0.181 16 G C -1.807 173.100 174.900 0.010 0.000 1.173 16 G CA -0.386 44.748 45.100 0.057 0.000 0.988 16 G HN -0.039 nan 8.290 nan 0.000 0.485 17 V N -0.917 118.989 119.914 -0.014 0.000 3.216 17 V HA 0.701 4.821 4.120 -0.000 0.000 0.302 17 V C -0.748 175.213 176.094 -0.222 0.000 1.286 17 V CA -0.703 61.505 62.300 -0.154 0.000 1.048 17 V CB 2.007 33.671 31.823 -0.265 0.000 1.081 17 V HN 0.859 nan 8.190 nan 0.000 0.442 18 V N 1.953 121.661 119.914 -0.344 0.000 2.448 18 V HA 0.573 4.693 4.120 -0.000 0.000 0.295 18 V C -1.371 174.457 176.094 -0.443 0.000 1.025 18 V CA -0.626 61.533 62.300 -0.235 0.000 0.859 18 V CB 1.451 33.212 31.823 -0.103 0.000 0.988 18 V HN 0.744 nan 8.190 nan 0.000 0.431 19 Y N 2.167 122.521 120.300 0.089 0.000 2.429 19 Y HA 0.488 5.038 4.550 -0.000 0.000 0.342 19 Y C 0.325 176.275 175.900 0.082 0.000 1.004 19 Y CA -1.021 57.125 58.100 0.077 0.000 1.075 19 Y CB 1.477 39.974 38.460 0.061 0.000 1.214 19 Y HN 0.482 nan 8.280 nan 0.000 0.455 20 K N 2.094 122.627 120.400 0.222 0.000 2.368 20 K HA 0.643 4.963 4.320 -0.000 0.000 0.282 20 K C -0.801 175.832 176.600 0.055 0.000 1.035 20 K CA 0.089 56.432 56.287 0.094 0.000 0.973 20 K CB 0.189 32.683 32.500 -0.010 0.000 0.957 20 K HN 0.879 nan 8.250 nan 0.000 0.474 21 A N 3.938 126.760 122.820 0.003 0.000 2.593 21 A HA 0.639 4.959 4.320 -0.000 0.000 0.290 21 A C -1.535 176.083 177.584 0.057 0.000 1.126 21 A CA -1.034 51.022 52.037 0.031 0.000 0.695 21 A CB 1.332 20.358 19.000 0.044 0.000 1.290 21 A HN 0.895 nan 8.150 nan 0.000 0.414 22 R N 1.004 121.582 120.500 0.129 0.000 2.621 22 R HA 0.496 4.836 4.340 -0.000 0.000 0.284 22 R C -1.278 175.122 176.300 0.167 0.000 0.998 22 R CA -0.663 55.513 56.100 0.126 0.000 0.895 22 R CB 1.400 31.711 30.300 0.018 0.000 1.195 22 R HN 0.604 nan 8.270 nan 0.000 0.450 23 N N 3.010 121.780 118.700 0.116 0.000 2.405 23 N HA 0.027 4.767 4.740 -0.000 0.000 0.260 23 N C -0.157 175.277 175.510 -0.128 0.000 1.152 23 N CA 0.118 53.083 53.050 -0.142 0.000 0.948 23 N CB 1.130 39.551 38.487 -0.109 0.000 1.111 23 N HN 0.716 nan 8.380 nan 0.000 0.485 24 K N 2.942 123.240 120.400 -0.169 0.000 2.360 24 K HA -0.033 4.287 4.320 -0.000 0.000 0.201 24 K C 1.165 177.704 176.600 -0.101 0.000 1.046 24 K CA 0.927 57.148 56.287 -0.110 0.000 0.945 24 K CB 0.412 32.845 32.500 -0.112 0.000 0.750 24 K HN 0.552 nan 8.250 nan 0.000 0.464 25 L N -0.928 120.219 121.223 -0.126 0.000 2.547 25 L HA -0.007 4.333 4.340 -0.000 0.000 0.218 25 L C 2.199 179.025 176.870 -0.074 0.000 1.048 25 L CA 0.712 55.492 54.840 -0.099 0.000 0.859 25 L CB 0.126 42.113 42.059 -0.121 0.000 1.128 25 L HN 0.184 nan 8.230 nan 0.000 0.483 26 T N -4.228 110.280 114.554 -0.076 0.000 3.051 26 T HA 0.219 4.569 4.350 -0.000 0.000 0.255 26 T C 1.532 176.216 174.700 -0.026 0.000 1.085 26 T CA 0.700 62.774 62.100 -0.044 0.000 1.109 26 T CB 0.744 69.593 68.868 -0.033 0.000 0.921 26 T HN 0.386 nan 8.240 nan 0.000 0.488 27 G N 1.519 110.301 108.800 -0.030 0.000 2.225 27 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.254 27 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.254 27 G C -0.065 174.839 174.900 0.008 0.000 0.988 27 G CA 0.235 45.327 45.100 -0.014 0.000 0.625 27 G HN 0.894 nan 8.290 nan 0.000 0.527 28 E N 0.734 120.949 120.200 0.026 0.000 2.414 28 E HA 0.355 4.705 4.350 -0.000 0.000 0.263 28 E C 0.300 176.946 176.600 0.076 0.000 1.000 28 E CA -0.260 56.176 56.400 0.060 0.000 0.914 28 E CB 0.593 30.343 29.700 0.084 0.000 0.948 28 E HN 0.188 nan 8.360 nan 0.000 0.444 29 V N 6.161 126.105 119.914 0.051 0.000 2.432 29 V HA 0.256 4.376 4.120 -0.000 0.000 0.275 29 V C 0.315 176.458 176.094 0.082 0.000 1.043 29 V CA -0.257 62.036 62.300 -0.012 0.000 0.925 29 V CB 0.801 32.526 31.823 -0.163 0.000 0.985 29 V HN 0.575 nan 8.190 nan 0.000 0.466 30 V N 2.391 122.357 119.914 0.087 0.000 3.155 30 V HA 1.031 5.151 4.120 -0.000 0.000 0.313 30 V C -0.111 176.099 176.094 0.193 0.000 1.162 30 V CA -1.034 61.367 62.300 0.168 0.000 1.048 30 V CB 2.075 33.957 31.823 0.099 0.000 1.092 30 V HN 0.972 nan 8.190 nan 0.000 0.447 31 A N 2.236 125.218 122.820 0.270 0.000 2.271 31 A HA 0.837 5.157 4.320 -0.000 0.000 0.317 31 A C -0.603 177.111 177.584 0.216 0.000 1.245 31 A CA -0.635 51.559 52.037 0.261 0.000 0.857 31 A CB 0.320 19.479 19.000 0.265 0.000 1.175 31 A HN 0.931 nan 8.150 nan 0.000 0.512 32 L N 2.191 123.522 121.223 0.181 0.000 2.282 32 L HA 0.474 4.814 4.340 -0.000 0.000 0.288 32 L C 0.322 177.358 176.870 0.276 0.000 1.033 32 L CA -0.441 54.518 54.840 0.199 0.000 0.807 32 L CB 1.515 43.666 42.059 0.152 0.000 1.209 32 L HN 0.729 nan 8.230 nan 0.000 0.423 33 K N 4.393 124.964 120.400 0.285 0.000 2.334 33 K HA 0.227 4.547 4.320 -0.000 0.000 0.265 33 K C -0.553 176.148 176.600 0.167 0.000 1.039 33 K CA -0.607 55.814 56.287 0.224 0.000 0.920 33 K CB 0.793 33.492 32.500 0.332 0.000 1.160 33 K HN 0.367 nan 8.250 nan 0.000 0.451 34 K N 6.732 127.210 120.400 0.131 0.000 2.248 34 K HA 0.233 4.553 4.320 -0.000 0.000 0.281 34 K C -0.885 175.668 176.600 -0.078 0.000 1.054 34 K CA -0.386 55.870 56.287 -0.053 0.000 0.903 34 K CB 0.558 33.124 32.500 0.110 0.000 1.077 34 K HN 0.629 nan 8.250 nan 0.000 0.474 35 I N 5.461 125.933 120.570 -0.163 0.000 2.362 35 I HA 0.315 4.485 4.170 -0.000 0.000 0.289 35 I C 0.289 176.345 176.117 -0.101 0.000 0.994 35 I CA -0.906 60.344 61.300 -0.084 0.000 1.158 35 I CB 1.505 39.452 38.000 -0.088 0.000 1.315 35 I HN 0.429 nan 8.210 nan 0.000 0.451 36 R N 5.843 126.329 120.500 -0.024 0.000 2.340 36 R HA 0.434 4.774 4.340 -0.000 0.000 0.300 36 R C 0.226 176.529 176.300 0.005 0.000 1.069 36 R CA -0.303 55.791 56.100 -0.010 0.000 0.984 36 R CB 1.624 31.942 30.300 0.030 0.000 1.003 36 R HN 0.671 nan 8.270 nan 0.000 0.459 37 L N 1.092 122.315 121.223 0.001 0.000 2.630 37 L HA 0.108 4.448 4.340 -0.000 0.000 0.180 37 L C 0.224 177.107 176.870 0.022 0.000 1.221 37 L CA -0.038 54.808 54.840 0.011 0.000 0.853 37 L CB -0.083 41.987 42.059 0.019 0.000 1.172 37 L HN 0.670 nan 8.230 nan 0.000 0.508 38 D N -0.371 120.041 120.400 0.020 0.000 3.396 38 D HA -0.178 4.462 4.640 -0.000 0.000 0.196 38 D C -0.113 176.199 176.300 0.020 0.000 1.347 38 D CA 1.371 55.384 54.000 0.021 0.000 1.106 38 D CB -0.692 40.123 40.800 0.024 0.000 0.619 38 D HN 0.343 nan 8.370 nan 0.000 0.728 39 T N -0.956 113.610 114.554 0.019 0.000 2.693 39 T HA 0.373 4.723 4.350 -0.000 0.000 0.304 39 T C -0.500 174.211 174.700 0.019 0.000 1.471 39 T CA -0.060 62.050 62.100 0.018 0.000 0.993 39 T CB 2.130 71.006 68.868 0.013 0.000 1.554 39 T HN 0.476 nan 8.240 nan 0.000 0.496 40 E N -0.364 119.846 120.200 0.017 0.000 3.547 40 E HA -0.199 4.151 4.350 -0.000 0.000 0.300 40 E C 0.642 177.255 176.600 0.021 0.000 0.857 40 E CA 1.769 58.180 56.400 0.017 0.000 1.039 40 E CB -1.630 28.079 29.700 0.016 0.000 1.524 40 E HN 0.781 nan 8.360 nan 0.000 0.457 41 T N -0.774 113.795 114.554 0.024 0.000 4.030 41 T HA 0.268 4.618 4.350 -0.000 0.000 0.282 41 T C 1.053 175.770 174.700 0.028 0.000 1.102 41 T CA -0.397 61.721 62.100 0.031 0.000 1.138 41 T CB 0.269 69.160 68.868 0.038 0.000 2.308 41 T HN -0.112 nan 8.240 nan 0.000 0.456 42 E N 0.540 120.758 120.200 0.030 0.000 2.603 42 E HA 0.360 4.710 4.350 -0.000 0.000 0.211 42 E C 0.940 177.547 176.600 0.011 0.000 0.995 42 E CA 0.247 56.661 56.400 0.023 0.000 0.990 42 E CB 0.497 30.215 29.700 0.029 0.000 1.036 42 E HN 0.842 nan 8.360 nan 0.000 0.475 43 G N 0.919 109.725 108.800 0.011 0.000 2.488 43 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.237 43 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.237 43 G C -0.081 174.808 174.900 -0.018 0.000 1.209 43 G CA -0.284 44.820 45.100 0.006 0.000 0.929 43 G HN 0.070 nan 8.290 nan 0.000 0.578 44 V N 3.486 123.385 119.914 -0.024 0.000 2.446 44 V HA 0.353 4.473 4.120 -0.000 0.000 0.276 44 V C -1.364 174.660 176.094 -0.117 0.000 1.030 44 V CA -0.191 62.065 62.300 -0.074 0.000 1.033 44 V CB 0.735 32.515 31.823 -0.071 0.000 0.993 44 V HN 0.584 nan 8.190 nan 0.000 0.477 45 P HA 0.041 nan 4.420 nan 0.000 0.264 45 P C 1.036 178.214 177.300 -0.202 0.000 1.183 45 P CA 0.195 63.114 63.100 -0.301 0.000 0.763 45 P CB 0.563 31.809 31.700 -0.757 0.000 0.807 46 S N 1.466 117.099 115.700 -0.112 0.000 2.402 46 S HA -0.222 4.248 4.470 -0.000 0.000 0.233 46 S C 1.679 176.241 174.600 -0.064 0.000 1.030 46 S CA 1.952 60.116 58.200 -0.060 0.000 1.003 46 S CB -1.718 61.476 63.200 -0.010 0.000 0.813 46 S HN 0.609 nan 8.310 nan 0.000 0.477 47 T N 0.509 115.010 114.554 -0.089 0.000 2.788 47 T HA 0.151 4.501 4.350 -0.000 0.000 0.268 47 T C 1.996 176.662 174.700 -0.056 0.000 1.044 47 T CA 1.047 63.123 62.100 -0.039 0.000 1.139 47 T CB -0.813 68.068 68.868 0.023 0.000 0.867 47 T HN 0.578 nan 8.240 nan 0.000 0.454 48 A N 1.198 123.937 122.820 -0.134 0.000 1.929 48 A HA 0.225 4.545 4.320 -0.000 0.000 0.216 48 A C 2.333 179.869 177.584 -0.079 0.000 1.176 48 A CA 0.847 52.822 52.037 -0.104 0.000 0.628 48 A CB -0.772 18.126 19.000 -0.169 0.000 0.816 48 A HN 0.519 nan 8.150 nan 0.000 0.444 49 I N -0.643 119.874 120.570 -0.088 0.000 2.163 49 I HA -0.291 3.879 4.170 -0.000 0.000 0.243 49 I C 2.786 178.882 176.117 -0.035 0.000 1.085 49 I CA 1.541 62.801 61.300 -0.066 0.000 1.347 49 I CB -0.215 37.751 38.000 -0.057 0.000 1.044 49 I HN 0.260 nan 8.210 nan 0.000 0.408 50 R N 0.071 120.562 120.500 -0.015 0.000 2.073 50 R HA -0.187 4.153 4.340 -0.000 0.000 0.229 50 R C 2.244 178.567 176.300 0.039 0.000 1.120 50 R CA 1.453 57.560 56.100 0.012 0.000 0.967 50 R CB -0.290 30.023 30.300 0.021 0.000 0.862 50 R HN 0.406 nan 8.270 nan 0.000 0.436 51 E N 1.106 121.336 120.200 0.050 0.000 2.058 51 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 51 E C 1.834 178.462 176.600 0.046 0.000 0.997 51 E CA 1.410 57.872 56.400 0.103 0.000 0.801 51 E CB -0.054 29.726 29.700 0.133 0.000 0.746 51 E HN 0.270 nan 8.360 nan 0.000 0.450 52 I N 1.061 121.628 120.570 -0.004 0.000 2.142 52 I HA -0.269 3.901 4.170 -0.000 0.000 0.240 52 I C 2.755 178.841 176.117 -0.051 0.000 1.078 52 I CA 1.406 62.675 61.300 -0.051 0.000 1.343 52 I CB -0.436 37.513 38.000 -0.085 0.000 1.046 52 I HN 0.232 nan 8.210 nan 0.000 0.405 53 S N 1.309 116.988 115.700 -0.035 0.000 2.383 53 S HA -0.090 4.380 4.470 -0.000 0.000 0.227 53 S C 1.979 176.565 174.600 -0.022 0.000 1.026 53 S CA 0.899 59.081 58.200 -0.029 0.000 0.981 53 S CB -0.842 62.346 63.200 -0.021 0.000 0.818 53 S HN 0.392 nan 8.310 nan 0.000 0.472 54 L N -0.120 121.098 121.223 -0.008 0.000 2.109 54 L HA 0.090 4.430 4.340 -0.000 0.000 0.207 54 L C 2.417 179.243 176.870 -0.075 0.000 1.086 54 L CA 0.490 55.329 54.840 -0.002 0.000 0.760 54 L CB -0.468 41.633 42.059 0.069 0.000 0.910 54 L HN 0.280 nan 8.230 nan 0.000 0.437 55 L N 0.015 121.169 121.223 -0.115 0.000 2.240 55 L HA -0.085 4.255 4.340 -0.000 0.000 0.211 55 L C 2.313 179.107 176.870 -0.127 0.000 1.106 55 L CA 1.539 56.259 54.840 -0.200 0.000 0.793 55 L CB -0.601 41.356 42.059 -0.169 0.000 0.927 55 L HN 0.134 nan 8.230 nan 0.000 0.446 56 K N -0.624 119.725 120.400 -0.086 0.000 2.283 56 K HA -0.111 4.209 4.320 -0.000 0.000 0.202 56 K C 1.545 178.121 176.600 -0.039 0.000 1.048 56 K CA 0.897 57.146 56.287 -0.064 0.000 0.948 56 K CB 0.033 32.503 32.500 -0.051 0.000 0.742 56 K HN 0.398 nan 8.250 nan 0.000 0.458 57 E N 0.363 120.546 120.200 -0.030 0.000 2.478 57 E HA 0.020 4.370 4.350 -0.000 0.000 0.194 57 E C -0.159 176.452 176.600 0.018 0.000 1.045 57 E CA 0.292 56.695 56.400 0.005 0.000 0.868 57 E CB 0.286 29.998 29.700 0.020 0.000 0.885 57 E HN 0.195 nan 8.360 nan 0.000 0.505 58 L N 2.686 123.899 121.223 -0.016 0.000 2.445 58 L HA 0.241 4.581 4.340 -0.000 0.000 0.252 58 L C -0.271 176.552 176.870 -0.078 0.000 1.105 58 L CA -0.651 54.214 54.840 0.041 0.000 0.943 58 L CB 0.429 42.470 42.059 -0.030 0.000 1.277 58 L HN -0.026 nan 8.230 nan 0.000 0.465 59 N N 2.501 121.151 118.700 -0.083 0.000 2.457 59 N HA 0.252 4.992 4.740 -0.000 0.000 0.250 59 N C -1.306 173.984 175.510 -0.365 0.000 0.982 59 N CA -0.193 52.760 53.050 -0.161 0.000 0.941 59 N CB 1.177 39.615 38.487 -0.082 0.000 1.120 59 N HN 0.578 nan 8.380 nan 0.000 0.505 60 H N 2.876 121.648 119.070 -0.496 0.000 3.123 60 H HA 0.305 4.861 4.556 -0.000 0.000 0.346 60 H C -2.156 172.965 175.328 -0.345 0.000 1.138 60 H CA -0.957 54.703 56.048 -0.646 0.000 1.273 60 H CB 1.978 31.057 29.762 -1.140 0.000 1.926 60 H HN 0.318 nan 8.280 nan 0.000 0.524 61 P HA -0.073 nan 4.420 nan 0.000 0.226 61 P C -0.326 176.890 177.300 -0.141 0.000 1.146 61 P CA 1.106 64.002 63.100 -0.340 0.000 0.773 61 P CB 0.218 31.702 31.700 -0.359 0.000 0.772 62 N N -0.824 117.913 118.700 0.063 0.000 2.282 62 N HA 0.244 4.984 4.740 -0.000 0.000 0.240 62 N C -0.148 175.401 175.510 0.066 0.000 1.182 62 N CA -0.164 52.932 53.050 0.077 0.000 0.874 62 N CB 0.426 38.964 38.487 0.084 0.000 1.126 62 N HN 0.116 nan 8.380 nan 0.000 0.516 63 I N 1.275 121.874 120.570 0.049 0.000 2.418 63 I HA 0.256 4.426 4.170 -0.000 0.000 0.287 63 I C 0.006 176.122 176.117 -0.000 0.000 1.008 63 I CA -1.218 60.099 61.300 0.028 0.000 1.104 63 I CB 1.845 39.820 38.000 -0.041 0.000 1.264 63 I HN -0.209 nan 8.210 nan 0.000 0.438 64 V N 5.607 125.543 119.914 0.036 0.000 2.742 64 V HA -0.172 3.948 4.120 -0.000 0.000 0.302 64 V C 0.681 176.818 176.094 0.071 0.000 1.133 64 V CA 0.426 62.756 62.300 0.050 0.000 1.284 64 V CB -0.463 31.390 31.823 0.050 0.000 0.850 64 V HN 0.716 nan 8.190 nan 0.000 0.494 65 K N 4.191 124.638 120.400 0.079 0.000 2.276 65 K HA 0.358 4.678 4.320 -0.000 0.000 0.285 65 K C -0.492 176.163 176.600 0.092 0.000 1.062 65 K CA -0.842 55.473 56.287 0.046 0.000 0.918 65 K CB 0.798 33.301 32.500 0.006 0.000 1.055 65 K HN 0.558 nan 8.250 nan 0.000 0.477 66 L N 6.835 128.044 121.223 -0.023 0.000 2.385 66 L HA 0.087 4.427 4.340 -0.000 0.000 0.281 66 L C 0.553 177.323 176.870 -0.167 0.000 1.106 66 L CA 0.476 55.166 54.840 -0.250 0.000 0.856 66 L CB 0.359 42.242 42.059 -0.294 0.000 1.186 66 L HN 0.822 nan 8.230 nan 0.000 0.453 67 L N 2.800 123.931 121.223 -0.153 0.000 2.179 67 L HA 0.167 4.507 4.340 -0.000 0.000 0.208 67 L C 0.152 176.982 176.870 -0.067 0.000 1.096 67 L CA 0.596 55.395 54.840 -0.067 0.000 0.779 67 L CB -0.165 41.890 42.059 -0.007 0.000 0.922 67 L HN 0.665 nan 8.230 nan 0.000 0.443 68 D N -2.381 117.949 120.400 -0.118 0.000 2.783 68 D HA 0.281 4.921 4.640 -0.000 0.000 0.253 68 D C -1.567 174.672 176.300 -0.102 0.000 1.206 68 D CA -0.216 53.743 54.000 -0.069 0.000 0.740 68 D CB 2.145 42.951 40.800 0.010 0.000 1.313 68 D HN -0.348 nan 8.370 nan 0.000 0.427 69 V N 2.741 122.625 119.914 -0.050 0.000 2.483 69 V HA 0.524 4.644 4.120 -0.000 0.000 0.297 69 V C -0.077 176.046 176.094 0.049 0.000 1.027 69 V CA -0.572 61.707 62.300 -0.035 0.000 0.855 69 V CB 1.592 33.372 31.823 -0.070 0.000 0.995 69 V HN 0.442 nan 8.190 nan 0.000 0.424 70 I N 4.669 125.301 120.570 0.103 0.000 2.330 70 I HA 0.378 4.548 4.170 -0.000 0.000 0.286 70 I C -0.052 176.213 176.117 0.246 0.000 1.025 70 I CA -0.197 61.204 61.300 0.168 0.000 1.197 70 I CB 0.643 38.742 38.000 0.164 0.000 1.358 70 I HN 0.658 nan 8.210 nan 0.000 0.467 71 H N 5.801 124.917 119.070 0.076 0.000 2.632 71 H HA 0.364 4.920 4.556 -0.000 0.000 0.258 71 H C -0.542 174.818 175.328 0.054 0.000 1.278 71 H CA -0.448 55.631 56.048 0.051 0.000 1.352 71 H CB 0.724 30.499 29.762 0.021 0.000 1.418 71 H HN 0.497 nan 8.280 nan 0.000 0.513 72 T N 1.942 116.558 114.554 0.104 0.000 2.847 72 T HA -0.058 4.292 4.350 -0.000 0.000 0.279 72 T C 1.451 176.109 174.700 -0.070 0.000 0.984 72 T CA -0.608 61.506 62.100 0.023 0.000 0.988 72 T CB 1.583 70.516 68.868 0.110 0.000 1.040 72 T HN 0.731 nan 8.240 nan 0.000 0.528 73 E N 0.685 120.848 120.200 -0.060 0.000 2.265 73 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 73 E C 1.237 177.823 176.600 -0.024 0.000 0.996 73 E CA 1.674 58.034 56.400 -0.067 0.000 0.832 73 E CB 0.028 29.703 29.700 -0.042 0.000 0.756 73 E HN 0.697 nan 8.360 nan 0.000 0.491 74 N N -0.816 117.890 118.700 0.009 0.000 2.508 74 N HA 0.077 4.817 4.740 -0.000 0.000 0.186 74 N C -0.049 175.478 175.510 0.028 0.000 1.034 74 N CA 0.006 53.071 53.050 0.025 0.000 0.885 74 N CB 0.244 38.755 38.487 0.039 0.000 1.135 74 N HN -0.181 nan 8.380 nan 0.000 0.435 75 K N -0.407 120.022 120.400 0.047 0.000 2.340 75 K HA 0.533 4.853 4.320 -0.000 0.000 0.244 75 K C -1.854 174.757 176.600 0.019 0.000 0.973 75 K CA -0.750 55.522 56.287 -0.025 0.000 0.828 75 K CB 2.423 34.868 32.500 -0.091 0.000 1.226 75 K HN 0.021 nan 8.250 nan 0.000 0.437 76 L N 2.515 123.676 121.223 -0.103 0.000 2.325 76 L HA 0.467 4.807 4.340 -0.000 0.000 0.281 76 L C -1.844 174.911 176.870 -0.191 0.000 1.004 76 L CA -0.275 54.546 54.840 -0.032 0.000 0.823 76 L CB 0.701 42.731 42.059 -0.048 0.000 1.236 76 L HN 0.537 nan 8.230 nan 0.000 0.415 77 Y N 5.366 125.684 120.300 0.030 0.000 2.328 77 Y HA 0.492 5.042 4.550 -0.000 0.000 0.336 77 Y C -0.381 175.492 175.900 -0.045 0.000 0.960 77 Y CA -0.750 57.355 58.100 0.009 0.000 1.134 77 Y CB 1.613 40.072 38.460 -0.001 0.000 1.166 77 Y HN 0.325 nan 8.280 nan 0.000 0.464 78 L N 5.057 126.325 121.223 0.074 0.000 2.290 78 L HA 0.397 4.737 4.340 -0.000 0.000 0.284 78 L C -0.512 176.280 176.870 -0.129 0.000 1.078 78 L CA -0.892 53.890 54.840 -0.096 0.000 0.815 78 L CB 0.879 42.866 42.059 -0.120 0.000 1.162 78 L HN 0.339 nan 8.230 nan 0.000 0.435 79 V N 4.476 124.238 119.914 -0.254 0.000 2.348 79 V HA 0.338 4.458 4.120 -0.000 0.000 0.270 79 V C -0.137 175.791 176.094 -0.276 0.000 1.037 79 V CA -0.259 61.914 62.300 -0.212 0.000 0.872 79 V CB 0.697 32.410 31.823 -0.183 0.000 1.002 79 V HN 0.383 nan 8.190 nan 0.000 0.464 80 F N 2.568 122.516 119.950 -0.002 0.000 2.492 80 F HA 0.440 4.967 4.527 -0.000 0.000 0.327 80 F C 0.868 176.698 175.800 0.050 0.000 1.079 80 F CA -0.950 57.061 58.000 0.019 0.000 0.967 80 F CB 1.329 40.344 39.000 0.024 0.000 1.169 80 F HN 0.642 nan 8.300 nan 0.000 0.472 81 E N 1.927 122.274 120.200 0.244 0.000 2.467 81 E HA -0.048 4.302 4.350 -0.000 0.000 0.264 81 E C -1.235 175.500 176.600 0.225 0.000 1.020 81 E CA -0.227 56.290 56.400 0.195 0.000 0.945 81 E CB 0.608 30.381 29.700 0.122 0.000 0.942 81 E HN 0.498 nan 8.360 nan 0.000 0.449 82 F N 3.670 123.666 119.950 0.078 0.000 2.410 82 F HA 0.421 4.948 4.527 -0.000 0.000 0.349 82 F C -1.404 174.424 175.800 0.046 0.000 1.117 82 F CA -0.867 57.170 58.000 0.062 0.000 1.104 82 F CB 0.665 39.706 39.000 0.068 0.000 1.122 82 F HN 0.393 nan 8.300 nan 0.000 0.483 83 L N 6.336 127.076 121.223 -0.805 0.000 2.362 83 L HA 0.279 4.619 4.340 -0.000 0.000 0.275 83 L C 0.972 177.281 176.870 -0.936 0.000 0.998 83 L CA -0.631 53.811 54.840 -0.663 0.000 0.820 83 L CB 1.459 43.329 42.059 -0.315 0.000 1.270 83 L HN 0.742 nan 8.230 nan 0.000 0.415 84 H N 1.793 120.484 119.070 -0.632 0.000 2.330 84 H HA -0.191 4.365 4.556 -0.000 0.000 0.290 84 H C 0.463 175.646 175.328 -0.242 0.000 1.111 84 H CA 2.478 58.339 56.048 -0.312 0.000 1.226 84 H CB 0.351 30.064 29.762 -0.083 0.000 1.355 84 H HN 0.673 nan 8.280 nan 0.000 0.485 85 Q N -0.674 118.929 119.800 -0.328 0.000 2.841 85 Q HA 0.207 4.547 4.340 -0.000 0.000 0.309 85 Q C -1.878 173.989 176.000 -0.220 0.000 0.868 85 Q CA -0.455 55.158 55.803 -0.317 0.000 0.760 85 Q CB 1.273 29.763 28.738 -0.414 0.000 1.454 85 Q HN 0.373 nan 8.270 nan 0.000 0.449 86 D N 0.143 120.449 120.400 -0.156 0.000 2.350 86 D HA 0.292 4.932 4.640 -0.000 0.000 0.238 86 D C 0.429 176.694 176.300 -0.058 0.000 0.989 86 D CA -0.800 53.123 54.000 -0.130 0.000 0.921 86 D CB 1.279 42.009 40.800 -0.117 0.000 1.297 86 D HN 0.498 nan 8.370 nan 0.000 0.490 87 L N 1.016 122.194 121.223 -0.075 0.000 2.131 87 L HA -0.022 4.318 4.340 -0.000 0.000 0.210 87 L C 1.890 178.837 176.870 0.127 0.000 1.092 87 L CA 1.875 56.718 54.840 0.005 0.000 0.759 87 L CB -0.862 41.158 42.059 -0.064 0.000 0.903 87 L HN 0.589 nan 8.230 nan 0.000 0.435 88 K N 0.520 120.956 120.400 0.060 0.000 2.002 88 K HA -0.139 4.181 4.320 -0.000 0.000 0.209 88 K C 1.790 178.442 176.600 0.087 0.000 1.048 88 K CA 1.655 57.989 56.287 0.078 0.000 0.930 88 K CB -0.265 32.260 32.500 0.042 0.000 0.714 88 K HN 0.277 nan 8.250 nan 0.000 0.438 89 K N -0.840 119.597 120.400 0.060 0.000 2.664 89 K HA -0.092 4.228 4.320 -0.000 0.000 0.193 89 K C 0.861 177.539 176.600 0.131 0.000 1.028 89 K CA 0.554 56.872 56.287 0.052 0.000 1.005 89 K CB -0.130 32.367 32.500 -0.006 0.000 0.815 89 K HN 0.200 nan 8.250 nan 0.000 0.496 90 F N -0.936 119.014 119.950 -0.000 0.000 2.334 90 F HA 0.158 4.685 4.527 -0.000 0.000 0.269 90 F C 1.658 177.503 175.800 0.075 0.000 0.879 90 F CA -0.119 57.904 58.000 0.039 0.000 1.102 90 F CB 0.145 39.180 39.000 0.058 0.000 1.032 90 F HN -0.192 nan 8.300 nan 0.000 0.782 91 M N 0.711 120.377 119.600 0.110 0.000 2.149 91 M HA -0.203 4.277 4.480 -0.000 0.000 0.261 91 M C 1.402 177.671 176.300 -0.052 0.000 1.064 91 M CA 1.877 57.182 55.300 0.007 0.000 1.102 91 M CB -0.496 32.172 32.600 0.113 0.000 1.369 91 M HN 0.122 nan 8.290 nan 0.000 0.408 92 D N 0.603 120.996 120.400 -0.012 0.000 2.084 92 D HA -0.100 4.540 4.640 -0.000 0.000 0.194 92 D C 1.919 178.185 176.300 -0.057 0.000 0.990 92 D CA 1.723 55.713 54.000 -0.017 0.000 0.826 92 D CB -0.262 40.544 40.800 0.010 0.000 0.971 92 D HN 0.341 nan 8.370 nan 0.000 0.453 93 A N 0.041 122.808 122.820 -0.088 0.000 2.178 93 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 93 A C 2.011 179.490 177.584 -0.175 0.000 1.157 93 A CA 1.082 53.051 52.037 -0.115 0.000 0.689 93 A CB -0.064 18.878 19.000 -0.096 0.000 0.787 93 A HN 0.094 nan 8.150 nan 0.000 0.465 94 S N -0.934 114.626 115.700 -0.234 0.000 2.568 94 S HA 0.383 4.853 4.470 -0.000 0.000 0.232 94 S C 1.644 176.195 174.600 -0.082 0.000 0.975 94 S CA 0.263 58.363 58.200 -0.166 0.000 0.949 94 S CB 0.295 63.354 63.200 -0.235 0.000 0.829 94 S HN 0.714 nan 8.310 nan 0.000 0.479 95 A N 1.057 123.836 122.820 -0.068 0.000 2.186 95 A HA 0.011 4.331 4.320 -0.000 0.000 0.219 95 A C 1.724 179.290 177.584 -0.030 0.000 1.159 95 A CA 1.126 53.139 52.037 -0.040 0.000 0.680 95 A CB -0.364 18.619 19.000 -0.028 0.000 0.787 95 A HN 0.516 nan 8.150 nan 0.000 0.467 96 L N -2.258 118.949 121.223 -0.026 0.000 2.347 96 L HA -0.013 4.327 4.340 -0.000 0.000 0.196 96 L C 2.671 179.534 176.870 -0.011 0.000 1.072 96 L CA 1.107 55.937 54.840 -0.016 0.000 0.817 96 L CB -0.861 41.191 42.059 -0.010 0.000 1.029 96 L HN 0.299 nan 8.230 nan 0.000 0.478 97 T N -0.039 114.517 114.554 0.003 0.000 2.529 97 T HA 0.044 4.394 4.350 -0.000 0.000 0.261 97 T C 0.931 175.612 174.700 -0.032 0.000 1.110 97 T CA 1.220 63.326 62.100 0.010 0.000 1.192 97 T CB -0.617 68.313 68.868 0.103 0.000 0.864 97 T HN 0.536 nan 8.240 nan 0.000 0.407 98 G N 0.380 109.156 108.800 -0.040 0.000 2.629 98 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.686 98 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.686 98 G C -0.937 173.906 174.900 -0.096 0.000 1.232 98 G CA -0.843 44.225 45.100 -0.054 0.000 0.803 98 G HN 0.561 nan 8.290 nan 0.000 0.638 99 I N 2.011 122.551 120.570 -0.051 0.000 2.315 99 I HA 0.314 4.484 4.170 -0.000 0.000 0.291 99 I C -1.806 174.264 176.117 -0.078 0.000 1.006 99 I CA -2.021 59.255 61.300 -0.040 0.000 1.265 99 I CB 1.736 39.813 38.000 0.127 0.000 1.387 99 I HN 0.224 nan 8.210 nan 0.000 0.475 100 P HA -0.050 nan 4.420 nan 0.000 0.266 100 P C 0.537 177.805 177.300 -0.053 0.000 1.195 100 P CA -0.260 62.761 63.100 -0.130 0.000 0.768 100 P CB 0.744 32.340 31.700 -0.172 0.000 0.838 101 L N 6.311 127.517 121.223 -0.028 0.000 2.141 101 L HA -0.006 4.334 4.340 -0.000 0.000 0.209 101 L C -1.033 175.824 176.870 -0.022 0.000 1.094 101 L CA 2.109 56.960 54.840 0.019 0.000 0.763 101 L CB -1.782 40.297 42.059 0.032 0.000 0.908 101 L HN 0.359 nan 8.230 nan 0.000 0.437 102 P HA -0.137 nan 4.420 nan 0.000 0.218 102 P C 1.840 179.070 177.300 -0.117 0.000 1.149 102 P CA 0.961 64.003 63.100 -0.097 0.000 0.817 102 P CB 0.015 31.664 31.700 -0.085 0.000 0.785 103 L N -0.791 120.349 121.223 -0.138 0.000 2.072 103 L HA -0.047 4.293 4.340 -0.000 0.000 0.205 103 L C 2.168 178.846 176.870 -0.321 0.000 1.079 103 L CA 1.566 56.230 54.840 -0.293 0.000 0.752 103 L CB -1.080 40.838 42.059 -0.235 0.000 0.906 103 L HN -0.135 nan 8.230 nan 0.000 0.436 104 I N -0.704 119.827 120.570 -0.064 0.000 2.286 104 I HA -0.321 3.849 4.170 -0.000 0.000 0.248 104 I C 2.495 178.703 176.117 0.152 0.000 1.115 104 I CA 1.369 62.738 61.300 0.115 0.000 1.392 104 I CB -0.314 37.824 38.000 0.229 0.000 1.065 104 I HN 0.295 nan 8.210 nan 0.000 0.418 105 K N 0.372 120.823 120.400 0.084 0.000 2.044 105 K HA -0.155 4.165 4.320 -0.000 0.000 0.204 105 K C 2.390 179.096 176.600 0.177 0.000 1.049 105 K CA 1.445 57.792 56.287 0.099 0.000 0.945 105 K CB -0.052 32.336 32.500 -0.187 0.000 0.724 105 K HN 0.072 nan 8.250 nan 0.000 0.440 106 S N -0.340 115.388 115.700 0.046 0.000 2.359 106 S HA -0.170 4.300 4.470 -0.000 0.000 0.224 106 S C 1.934 176.677 174.600 0.237 0.000 1.035 106 S CA 1.120 59.374 58.200 0.090 0.000 1.018 106 S CB -0.366 62.819 63.200 -0.024 0.000 0.876 106 S HN 0.365 nan 8.310 nan 0.000 0.448 107 Y N 1.004 121.353 120.300 0.081 0.000 2.145 107 Y HA -0.002 4.548 4.550 0.000 0.000 0.286 107 Y C 2.337 178.263 175.900 0.045 0.000 1.145 107 Y CA 0.490 58.616 58.100 0.044 0.000 1.148 107 Y CB -1.334 37.149 38.460 0.040 0.000 0.981 107 Y HN 0.273 nan 8.280 nan 0.000 0.507 108 L N -0.811 120.569 121.223 0.262 0.000 2.012 108 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 108 L C 2.271 179.207 176.870 0.109 0.000 1.073 108 L CA 1.634 56.577 54.840 0.172 0.000 0.748 108 L CB -1.268 40.882 42.059 0.151 0.000 0.891 108 L HN 0.134 nan 8.230 nan 0.000 0.431 109 F N 0.056 119.925 119.950 -0.136 0.000 2.102 109 F HA -0.230 4.297 4.527 0.000 0.000 0.298 109 F C 2.552 178.210 175.800 -0.237 0.000 1.105 109 F CA 1.843 59.529 58.000 -0.523 0.000 1.239 109 F CB -0.440 38.225 39.000 -0.558 0.000 0.991 109 F HN 0.226 nan 8.300 nan 0.000 0.474 110 Q N 0.029 119.800 119.800 -0.048 0.000 2.084 110 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 110 Q C 2.338 178.270 176.000 -0.113 0.000 0.978 110 Q CA 2.024 57.778 55.803 -0.083 0.000 0.844 110 Q CB -0.423 28.332 28.738 0.028 0.000 0.898 110 Q HN 0.449 nan 8.270 nan 0.000 0.426 111 L N 0.207 121.381 121.223 -0.081 0.000 2.046 111 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 111 L C 2.318 179.109 176.870 -0.131 0.000 1.077 111 L CA 0.974 55.755 54.840 -0.099 0.000 0.747 111 L CB -0.426 41.591 42.059 -0.070 0.000 0.896 111 L HN 0.232 nan 8.230 nan 0.000 0.432 112 L N -0.870 120.261 121.223 -0.153 0.000 2.083 112 L HA -0.234 4.106 4.340 -0.000 0.000 0.209 112 L C 2.726 179.468 176.870 -0.214 0.000 1.083 112 L CA 1.264 56.007 54.840 -0.163 0.000 0.752 112 L CB -0.399 41.568 42.059 -0.154 0.000 0.899 112 L HN 0.305 nan 8.230 nan 0.000 0.433 113 Q N -0.612 119.013 119.800 -0.293 0.000 2.084 113 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 113 Q C 2.271 178.111 176.000 -0.267 0.000 0.978 113 Q CA 1.465 57.122 55.803 -0.243 0.000 0.844 113 Q CB -0.354 28.258 28.738 -0.210 0.000 0.898 113 Q HN 0.617 nan 8.270 nan 0.000 0.426 114 G N 0.575 109.232 108.800 -0.237 0.000 2.408 114 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 114 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 114 G C 1.309 176.093 174.900 -0.194 0.000 1.150 114 G CA 0.360 45.285 45.100 -0.292 0.000 0.776 114 G HN 0.201 nan 8.290 nan 0.000 0.542 115 L N 1.408 122.518 121.223 -0.188 0.000 2.027 115 L HA 0.210 4.550 4.340 -0.000 0.000 0.206 115 L C 3.083 179.750 176.870 -0.338 0.000 1.074 115 L CA 1.978 56.652 54.840 -0.276 0.000 0.745 115 L CB -0.894 41.004 42.059 -0.267 0.000 0.898 115 L HN 0.240 nan 8.230 nan 0.000 0.433 116 A N -1.352 121.363 122.820 -0.175 0.000 1.933 116 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 116 A C 2.286 179.889 177.584 0.031 0.000 1.175 116 A CA 1.735 53.745 52.037 -0.046 0.000 0.628 116 A CB -1.094 17.898 19.000 -0.014 0.000 0.814 116 A HN 0.471 nan 8.150 nan 0.000 0.444 117 F N 0.441 120.280 119.950 -0.185 0.000 2.069 117 F HA -0.284 4.243 4.527 0.000 0.000 0.298 117 F C 2.625 178.448 175.800 0.038 0.000 1.113 117 F CA 1.902 59.825 58.000 -0.129 0.000 1.214 117 F CB -0.578 38.134 39.000 -0.479 0.000 0.978 117 F HN 0.329 nan 8.300 nan 0.000 0.474 118 C N -0.162 119.247 119.300 0.181 0.000 2.393 118 C HA -0.275 4.185 4.460 -0.000 0.000 0.276 118 C C 2.653 177.833 174.990 0.317 0.000 1.215 118 C CA 1.780 60.941 59.018 0.239 0.000 1.743 118 C CB -1.860 26.037 27.740 0.261 0.000 2.044 118 C HN 0.544 nan 8.230 nan 0.000 0.464 119 H N -0.423 118.784 119.070 0.228 0.000 2.423 119 H HA -0.105 4.451 4.556 0.000 0.000 0.297 119 H C 2.440 177.866 175.328 0.163 0.000 1.075 119 H CA 1.158 57.381 56.048 0.290 0.000 1.342 119 H CB -0.038 29.869 29.762 0.241 0.000 1.395 119 H HN 0.398 nan 8.280 nan 0.000 0.530 120 S N -0.091 115.710 115.700 0.167 0.000 2.423 120 S HA -0.106 4.364 4.470 -0.000 0.000 0.231 120 S C 0.703 175.116 174.600 -0.312 0.000 1.014 120 S CA 0.885 59.046 58.200 -0.064 0.000 0.965 120 S CB -0.031 63.090 63.200 -0.131 0.000 0.785 120 S HN 0.517 nan 8.310 nan 0.000 0.495 121 H N 0.800 119.744 119.070 -0.210 0.000 2.550 121 H HA 0.302 4.858 4.556 -0.000 0.000 0.304 121 H C 0.408 175.600 175.328 -0.227 0.000 1.086 121 H CA -0.267 55.644 56.048 -0.229 0.000 1.089 121 H CB -0.204 29.401 29.762 -0.261 0.000 1.528 121 H HN 0.236 nan 8.280 nan 0.000 0.539 122 R N -1.676 118.634 120.500 -0.317 0.000 3.502 122 R HA -0.158 4.182 4.340 -0.000 0.000 0.266 122 R C -1.510 174.451 176.300 -0.566 0.000 1.077 122 R CA 0.528 56.032 56.100 -0.992 0.000 0.718 122 R CB -3.220 26.503 30.300 -0.963 0.000 1.120 122 R HN 0.140 nan 8.270 nan 0.000 0.457 123 V N 1.379 121.359 119.914 0.111 0.000 2.417 123 V HA 0.454 4.574 4.120 -0.000 0.000 0.291 123 V C 0.638 177.121 176.094 0.648 0.000 1.024 123 V CA -0.859 61.658 62.300 0.362 0.000 0.861 123 V CB 1.679 33.696 31.823 0.324 0.000 0.985 123 V HN 0.311 nan 8.190 nan 0.000 0.436 124 L N 4.191 125.749 121.223 0.559 0.000 2.312 124 L HA 0.457 4.797 4.340 -0.000 0.000 0.281 124 L C 1.342 178.364 176.870 0.254 0.000 1.070 124 L CA -0.533 54.534 54.840 0.379 0.000 0.805 124 L CB 0.997 43.180 42.059 0.207 0.000 1.174 124 L HN 0.739 nan 8.230 nan 0.000 0.434 125 H N 4.141 123.283 119.070 0.120 0.000 2.320 125 H HA 0.077 4.633 4.556 0.000 0.000 0.309 125 H C 0.677 175.951 175.328 -0.090 0.000 1.057 125 H CA 1.174 57.157 56.048 -0.109 0.000 1.374 125 H CB 0.588 30.204 29.762 -0.243 0.000 1.421 125 H HN 0.624 nan 8.280 nan 0.000 0.532 126 R N -0.184 120.414 120.500 0.163 0.000 3.963 126 R HA -0.167 4.173 4.340 -0.000 0.000 0.394 126 R C -0.728 175.623 176.300 0.085 0.000 1.131 126 R CA 1.040 57.189 56.100 0.083 0.000 1.059 126 R CB -1.815 28.503 30.300 0.030 0.000 1.614 126 R HN 0.329 nan 8.270 nan 0.000 0.546 127 D N 0.337 120.889 120.400 0.252 0.000 3.216 127 D HA 0.231 4.871 4.640 -0.000 0.000 0.348 127 D C -0.656 175.731 176.300 0.145 0.000 1.407 127 D CA -0.216 53.882 54.000 0.163 0.000 0.744 127 D CB 0.367 41.189 40.800 0.037 0.000 1.264 127 D HN 0.106 nan 8.370 nan 0.000 0.543 128 L N 2.102 123.325 121.223 -0.001 0.000 2.369 128 L HA 0.311 4.651 4.340 -0.000 0.000 0.279 128 L C 0.569 177.247 176.870 -0.320 0.000 1.108 128 L CA 0.393 55.076 54.840 -0.262 0.000 0.852 128 L CB 0.220 42.126 42.059 -0.255 0.000 1.169 128 L HN 0.105 nan 8.230 nan 0.000 0.452 129 K N 2.484 122.632 120.400 -0.419 0.000 2.579 129 K HA 0.443 4.763 4.320 -0.000 0.000 0.284 129 K C -2.838 173.517 176.600 -0.408 0.000 0.990 129 K CA -1.644 54.203 56.287 -0.733 0.000 0.880 129 K CB 1.534 33.627 32.500 -0.678 0.000 1.488 129 K HN -0.121 nan 8.250 nan 0.000 0.425 130 P HA -0.225 nan 4.420 nan 0.000 0.218 130 P C 0.781 178.008 177.300 -0.123 0.000 1.148 130 P CA 1.362 64.373 63.100 -0.148 0.000 0.822 130 P CB 0.134 31.817 31.700 -0.028 0.000 0.784 131 Q N -1.427 118.304 119.800 -0.116 0.000 2.436 131 Q HA -0.032 4.308 4.340 -0.000 0.000 0.209 131 Q C 0.834 176.764 176.000 -0.117 0.000 0.965 131 Q CA 1.069 56.814 55.803 -0.096 0.000 0.910 131 Q CB -1.092 27.600 28.738 -0.077 0.000 0.980 131 Q HN 0.331 nan 8.270 nan 0.000 0.491 132 N N 0.301 118.917 118.700 -0.140 0.000 2.280 132 N HA 0.209 4.949 4.740 -0.000 0.000 0.192 132 N C -0.423 174.995 175.510 -0.153 0.000 1.109 132 N CA 0.147 53.120 53.050 -0.128 0.000 0.855 132 N CB 0.669 39.096 38.487 -0.100 0.000 0.974 132 N HN 0.218 nan 8.380 nan 0.000 0.482 133 L N 1.367 122.486 121.223 -0.174 0.000 2.319 133 L HA 0.485 4.825 4.340 -0.000 0.000 0.281 133 L C -0.533 176.212 176.870 -0.208 0.000 1.005 133 L CA -0.489 54.233 54.840 -0.195 0.000 0.828 133 L CB 1.716 43.646 42.059 -0.216 0.000 1.227 133 L HN -0.249 nan 8.230 nan 0.000 0.415 134 L N 5.018 126.116 121.223 -0.209 0.000 2.325 134 L HA 0.655 4.995 4.340 -0.000 0.000 0.278 134 L C -0.242 176.472 176.870 -0.259 0.000 1.023 134 L CA -0.798 53.908 54.840 -0.223 0.000 0.811 134 L CB 2.119 44.052 42.059 -0.209 0.000 1.249 134 L HN 0.549 nan 8.230 nan 0.000 0.431 135 I N -0.453 119.958 120.570 -0.264 0.000 2.569 135 I HA 0.577 4.747 4.170 -0.000 0.000 0.296 135 I C -0.668 175.366 176.117 -0.138 0.000 1.028 135 I CA -0.724 60.423 61.300 -0.256 0.000 1.082 135 I CB 1.910 39.693 38.000 -0.362 0.000 1.264 135 I HN 0.597 nan 8.210 nan 0.000 0.429 136 N N 2.046 120.692 118.700 -0.089 0.000 2.604 136 N HA 0.354 5.094 4.740 -0.000 0.000 0.297 136 N C 0.707 176.215 175.510 -0.003 0.000 1.266 136 N CA -0.085 52.948 53.050 -0.028 0.000 0.961 136 N CB 0.566 39.034 38.487 -0.032 0.000 1.166 136 N HN 0.755 nan 8.380 nan 0.000 0.601 137 T N -3.853 110.690 114.554 -0.019 0.000 3.067 137 T HA 0.084 4.434 4.350 -0.000 0.000 0.261 137 T C 0.602 175.296 174.700 -0.011 0.000 1.110 137 T CA 0.624 62.699 62.100 -0.043 0.000 1.113 137 T CB -0.188 68.618 68.868 -0.103 0.000 0.917 137 T HN 0.457 nan 8.240 nan 0.000 0.499 138 E N 1.036 121.235 120.200 -0.001 0.000 2.489 138 E HA 0.268 4.618 4.350 -0.000 0.000 0.193 138 E C 1.582 178.196 176.600 0.023 0.000 1.057 138 E CA 0.538 56.942 56.400 0.007 0.000 0.866 138 E CB 0.188 29.890 29.700 0.003 0.000 0.916 138 E HN 0.742 nan 8.360 nan 0.000 0.500 139 G N 0.696 109.521 108.800 0.042 0.000 2.184 139 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.206 139 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.206 139 G C 0.529 175.517 174.900 0.146 0.000 0.995 139 G CA -0.034 45.119 45.100 0.090 0.000 0.651 139 G HN 0.476 nan 8.290 nan 0.000 0.511 140 A N -0.026 122.831 122.820 0.062 0.000 2.407 140 A HA 0.767 5.087 4.320 -0.000 0.000 0.248 140 A C 0.142 177.685 177.584 -0.068 0.000 1.082 140 A CA 0.533 52.583 52.037 0.022 0.000 0.785 140 A CB 0.679 19.667 19.000 -0.020 0.000 1.020 140 A HN 1.380 nan 8.150 nan 0.000 0.489 141 I N 0.380 120.870 120.570 -0.133 0.000 2.730 141 I HA 0.562 4.732 4.170 -0.000 0.000 0.298 141 I C -1.125 174.885 176.117 -0.178 0.000 1.089 141 I CA -0.739 60.382 61.300 -0.298 0.000 1.041 141 I CB 1.934 39.541 38.000 -0.655 0.000 1.235 141 I HN 0.716 nan 8.210 nan 0.000 0.423 142 K N 7.612 127.908 120.400 -0.173 0.000 2.513 142 K HA 0.462 4.782 4.320 -0.000 0.000 0.251 142 K C -1.479 175.072 176.600 -0.083 0.000 0.939 142 K CA -0.816 55.413 56.287 -0.097 0.000 0.793 142 K CB 2.440 34.900 32.500 -0.068 0.000 1.241 142 K HN 0.500 nan 8.250 nan 0.000 0.431 143 L N 2.342 123.550 121.223 -0.025 0.000 2.462 143 L HA 0.323 4.663 4.340 -0.000 0.000 0.272 143 L C 0.366 177.353 176.870 0.196 0.000 1.166 143 L CA 0.033 54.879 54.840 0.010 0.000 0.880 143 L CB 0.202 42.275 42.059 0.024 0.000 1.142 143 L HN 0.760 nan 8.230 nan 0.000 0.473 144 A N 2.172 125.057 122.820 0.110 0.000 2.483 144 A HA 0.573 4.893 4.320 -0.000 0.000 0.286 144 A C -0.409 177.279 177.584 0.174 0.000 1.207 144 A CA -0.470 51.662 52.037 0.160 0.000 0.764 144 A CB 1.070 20.038 19.000 -0.053 0.000 1.341 144 A HN 0.711 nan 8.150 nan 0.000 0.428 145 D N -1.578 118.879 120.400 0.096 0.000 3.400 145 D HA -0.156 4.484 4.640 -0.000 0.000 0.226 145 D C -0.708 175.569 176.300 -0.038 0.000 1.152 145 D CA 0.642 54.667 54.000 0.041 0.000 1.008 145 D CB -1.113 39.670 40.800 -0.028 0.000 0.866 145 D HN 0.407 nan 8.370 nan 0.000 0.402 146 F N 0.513 120.427 119.950 -0.060 0.000 2.663 146 F HA 0.326 4.853 4.527 -0.000 0.000 0.299 146 F C 2.268 178.003 175.800 -0.107 0.000 1.143 146 F CA 0.315 58.230 58.000 -0.141 0.000 1.387 146 F CB 0.246 39.237 39.000 -0.015 0.000 1.019 146 F HN 0.376 nan 8.300 nan 0.000 0.523 147 G N -0.234 108.567 108.800 0.002 0.000 2.450 147 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.220 147 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.220 147 G C 1.433 176.320 174.900 -0.021 0.000 1.130 147 G CA 0.718 45.827 45.100 0.014 0.000 0.760 147 G HN 0.286 nan 8.290 nan 0.000 0.557 148 L N 0.524 121.678 121.223 -0.115 0.000 2.693 148 L HA 0.571 4.911 4.340 -0.000 0.000 0.235 148 L C 1.629 178.433 176.870 -0.110 0.000 1.127 148 L CA -0.605 54.178 54.840 -0.095 0.000 0.914 148 L CB -0.054 41.940 42.059 -0.108 0.000 1.193 148 L HN 0.233 nan 8.230 nan 0.000 0.502 149 A N 0.539 123.279 122.820 -0.133 0.000 2.346 149 A HA 0.584 4.904 4.320 -0.000 0.000 0.252 149 A C 0.297 177.894 177.584 0.022 0.000 1.089 149 A CA -0.134 51.867 52.037 -0.061 0.000 0.797 149 A CB 0.292 19.324 19.000 0.054 0.000 1.047 149 A HN 0.387 nan 8.150 nan 0.000 0.494 150 R N -0.517 120.015 120.500 0.054 0.000 2.643 150 R HA 0.608 4.948 4.340 -0.000 0.000 0.269 150 R C -0.864 175.464 176.300 0.045 0.000 1.037 150 R CA 0.150 56.256 56.100 0.010 0.000 0.894 150 R CB 1.011 31.261 30.300 -0.084 0.000 1.238 150 R HN 1.202 nan 8.270 nan 0.000 0.459 151 A N 3.792 126.611 122.820 -0.002 0.000 2.454 151 A HA 0.494 4.814 4.320 -0.000 0.000 0.260 151 A C -0.471 177.097 177.584 -0.027 0.000 1.106 151 A CA -0.368 51.658 52.037 -0.018 0.000 0.780 151 A CB -0.436 18.539 19.000 -0.040 0.000 1.044 151 A HN 0.603 nan 8.150 nan 0.000 0.498 152 F N 1.364 121.261 119.950 -0.088 0.000 2.541 152 F HA 0.855 5.382 4.527 -0.000 0.000 0.331 152 F C 0.510 176.341 175.800 0.051 0.000 1.057 152 F CA -0.730 57.241 58.000 -0.049 0.000 0.975 152 F CB 1.010 40.022 39.000 0.020 0.000 1.246 152 F HN 0.633 nan 8.300 nan 0.000 0.484 153 G N 0.039 109.064 108.800 0.375 0.000 2.552 153 G HA2 0.592 4.552 3.960 -0.000 0.000 0.324 153 G HA3 0.592 4.552 3.960 -0.000 0.000 0.324 153 G C -1.867 173.183 174.900 0.251 0.000 1.217 153 G CA -1.070 44.151 45.100 0.201 0.000 0.989 153 G HN 0.680 nan 8.290 nan 0.000 0.490 154 V N 2.539 122.521 119.914 0.113 0.000 2.409 154 V HA 0.385 4.505 4.120 -0.000 0.000 0.290 154 V C -1.472 174.637 176.094 0.025 0.000 1.017 154 V CA -0.969 61.385 62.300 0.089 0.000 0.841 154 V CB 1.080 32.940 31.823 0.061 0.000 1.003 154 V HN 0.825 nan 8.190 nan 0.000 0.426 155 P HA 0.456 nan 4.420 nan 0.000 0.276 155 P C -0.310 176.959 177.300 -0.053 0.000 1.261 155 P CA -0.304 62.769 63.100 -0.046 0.000 0.800 155 P CB 1.080 32.697 31.700 -0.139 0.000 1.066 156 V N -1.298 118.553 119.914 -0.104 0.000 2.924 156 V HA 0.338 4.458 4.120 -0.000 0.000 0.305 156 V C 0.697 176.589 176.094 -0.337 0.000 1.073 156 V CA -0.562 61.677 62.300 -0.101 0.000 1.098 156 V CB 0.022 31.769 31.823 -0.126 0.000 1.000 156 V HN 0.474 nan 8.190 nan 0.000 0.484 157 R N 1.393 121.654 120.500 -0.399 0.000 2.602 157 R HA 0.473 4.813 4.340 -0.000 0.000 0.237 157 R C -0.036 175.887 176.300 -0.627 0.000 1.219 157 R CA -0.679 55.217 56.100 -0.340 0.000 1.121 157 R CB 0.347 30.543 30.300 -0.174 0.000 1.408 157 R HN 0.789 nan 8.270 nan 0.000 0.559 158 T N 1.677 116.062 114.554 -0.282 0.000 2.853 158 T HA 0.183 4.533 4.350 -0.000 0.000 0.298 158 T C -0.737 173.749 174.700 -0.357 0.000 0.978 158 T CA 0.525 62.434 62.100 -0.318 0.000 1.152 158 T CB -0.052 68.738 68.868 -0.130 0.000 0.914 158 T HN 0.192 nan 8.240 nan 0.000 0.539 162 E N 1.848 122.025 120.200 -0.038 0.000 1.774 162 E HA 0.435 4.785 4.350 -0.000 0.000 0.265 162 E C -0.986 175.549 176.600 -0.109 0.000 1.207 162 E CA 0.178 56.496 56.400 -0.137 0.000 1.054 162 E CB 0.471 30.162 29.700 -0.016 0.000 1.074 162 E HN 0.180 nan 8.360 nan 0.000 0.433 163 V N 2.319 122.122 119.914 -0.184 0.000 2.777 163 V HA 0.382 4.502 4.120 -0.000 0.000 0.306 163 V C -1.051 174.969 176.094 -0.122 0.000 1.112 163 V CA -0.863 61.365 62.300 -0.120 0.000 0.917 163 V CB 2.157 33.927 31.823 -0.087 0.000 1.018 163 V HN 0.310 nan 8.190 nan 0.000 0.426 164 V N 3.630 123.512 119.914 -0.053 0.000 3.288 164 V HA -0.147 3.973 4.120 -0.000 0.000 0.473 164 V C 0.214 176.328 176.094 0.033 0.000 0.682 164 V CA 0.226 62.532 62.300 0.008 0.000 2.015 164 V CB -0.897 30.935 31.823 0.016 0.000 2.472 164 V HN 1.054 nan 8.190 nan 0.000 0.499 165 T N 6.221 120.821 114.554 0.077 0.000 2.905 165 T HA 0.126 4.476 4.350 -0.000 0.000 0.299 165 T C 1.145 175.916 174.700 0.118 0.000 1.024 165 T CA 0.646 62.792 62.100 0.076 0.000 1.151 165 T CB 0.603 69.541 68.868 0.116 0.000 0.987 165 T HN 0.924 nan 8.240 nan 0.000 0.535 166 L N 3.758 124.991 121.223 0.016 0.000 2.034 166 L HA -0.142 4.198 4.340 -0.000 0.000 0.217 166 L C 1.871 178.838 176.870 0.163 0.000 1.077 166 L CA 2.034 56.904 54.840 0.049 0.000 0.769 166 L CB -0.667 41.404 42.059 0.019 0.000 0.890 166 L HN 0.761 nan 8.230 nan 0.000 0.435 167 W N -1.125 120.086 121.300 -0.149 0.000 2.421 167 W HA -0.155 4.505 4.660 -0.000 0.000 0.270 167 W C 1.998 178.227 176.519 -0.484 0.000 1.233 167 W CA 0.869 57.990 57.345 -0.374 0.000 1.226 167 W CB -0.975 28.096 29.460 -0.650 0.000 1.121 167 W HN 0.306 nan 8.180 nan 0.000 0.579 168 Y N -1.011 119.518 120.300 0.382 0.000 2.467 168 Y HA 0.248 4.798 4.550 -0.000 0.000 0.250 168 Y C 1.310 177.427 175.900 0.362 0.000 1.155 168 Y CA -0.649 57.662 58.100 0.351 0.000 1.249 168 Y CB -0.471 38.127 38.460 0.231 0.000 1.146 168 Y HN -0.331 nan 8.280 nan 0.000 0.524 169 R N 1.734 122.399 120.500 0.274 0.000 2.438 169 R HA 0.541 4.881 4.340 -0.000 0.000 0.287 169 R C 0.071 176.272 176.300 -0.165 0.000 1.077 169 R CA -0.138 56.009 56.100 0.078 0.000 1.034 169 R CB 0.473 30.764 30.300 -0.016 0.000 0.993 169 R HN 0.199 nan 8.270 nan 0.000 0.459 170 A N 5.847 128.432 122.820 -0.392 0.000 2.351 170 A HA 0.292 4.612 4.320 -0.000 0.000 0.257 170 A C -1.673 175.535 177.584 -0.626 0.000 1.087 170 A CA -1.464 49.993 52.037 -0.966 0.000 0.798 170 A CB 0.350 19.019 19.000 -0.551 0.000 1.033 170 A HN 0.751 nan 8.150 nan 0.000 0.488 171 P HA -0.182 nan 4.420 nan 0.000 0.218 171 P C 0.997 178.391 177.300 0.158 0.000 1.149 171 P CA 1.429 64.429 63.100 -0.167 0.000 0.817 171 P CB 0.084 31.810 31.700 0.044 0.000 0.785 172 E N 0.650 120.972 120.200 0.202 0.000 2.153 172 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 172 E C 2.099 178.827 176.600 0.214 0.000 0.988 172 E CA 0.981 57.597 56.400 0.360 0.000 0.811 172 E CB -1.171 28.759 29.700 0.384 0.000 0.746 172 E HN 0.312 nan 8.360 nan 0.000 0.466 173 I N 0.926 121.546 120.570 0.082 0.000 2.277 173 I HA -0.188 3.982 4.170 -0.000 0.000 0.243 173 I C 2.684 178.903 176.117 0.171 0.000 1.094 173 I CA 0.604 61.959 61.300 0.091 0.000 1.393 173 I CB -0.221 37.700 38.000 -0.131 0.000 1.078 173 I HN -0.005 nan 8.210 nan 0.000 0.417 174 L N 0.292 121.546 121.223 0.052 0.000 2.187 174 L HA -0.197 4.143 4.340 -0.000 0.000 0.213 174 L C 1.894 178.839 176.870 0.126 0.000 1.100 174 L CA 1.296 56.166 54.840 0.051 0.000 0.765 174 L CB -0.245 41.779 42.059 -0.058 0.000 0.904 174 L HN 0.312 nan 8.230 nan 0.000 0.437 175 L N -1.004 120.317 121.223 0.164 0.000 2.700 175 L HA 0.264 4.604 4.340 -0.000 0.000 0.234 175 L C 1.266 178.205 176.870 0.115 0.000 1.156 175 L CA 0.296 55.239 54.840 0.172 0.000 0.946 175 L CB 0.140 42.324 42.059 0.209 0.000 1.216 175 L HN 0.359 nan 8.230 nan 0.000 0.493 176 G N -0.081 108.792 108.800 0.120 0.000 2.143 176 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.248 176 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.248 176 G C 0.404 175.306 174.900 0.004 0.000 0.991 176 G CA 0.133 45.224 45.100 -0.015 0.000 0.689 176 G HN 0.399 nan 8.290 nan 0.000 0.522 177 C N 1.182 120.540 119.300 0.097 0.000 2.590 177 C HA 0.412 4.872 4.460 -0.000 0.000 0.411 177 C C 2.382 177.402 174.990 0.051 0.000 1.420 177 C CA 0.789 59.855 59.018 0.080 0.000 1.643 177 C CB 0.225 28.080 27.740 0.191 0.000 2.528 177 C HN 0.697 nan 8.230 nan 0.000 0.606 178 K N 3.533 123.853 120.400 -0.133 0.000 2.283 178 K HA -0.094 4.226 4.320 -0.000 0.000 0.202 178 K C -0.586 175.869 176.600 -0.242 0.000 1.048 178 K CA 1.275 57.395 56.287 -0.279 0.000 0.948 178 K CB -0.042 32.128 32.500 -0.550 0.000 0.742 178 K HN 0.753 nan 8.250 nan 0.000 0.458 179 Y N 0.745 121.017 120.300 -0.047 0.000 2.331 179 Y HA 0.289 4.839 4.550 -0.000 0.000 0.334 179 Y C -0.642 175.270 175.900 0.020 0.000 0.960 179 Y CA -1.898 56.128 58.100 -0.123 0.000 1.130 179 Y CB 1.090 39.506 38.460 -0.073 0.000 1.164 179 Y HN 0.065 nan 8.280 nan 0.000 0.458 180 Y N -0.554 119.841 120.300 0.158 0.000 2.609 180 Y HA 0.897 5.447 4.550 0.000 0.000 0.342 180 Y C -0.499 175.428 175.900 0.046 0.000 1.058 180 Y CA -1.392 56.774 58.100 0.111 0.000 1.055 180 Y CB 1.814 40.343 38.460 0.115 0.000 1.292 180 Y HN 0.434 nan 8.280 nan 0.000 0.476 181 S N -0.934 114.922 115.700 0.260 0.000 3.121 181 S HA 0.298 4.768 4.470 -0.000 0.000 0.324 181 S C 0.938 175.462 174.600 -0.126 0.000 1.192 181 S CA -0.054 58.128 58.200 -0.030 0.000 0.937 181 S CB 0.508 63.633 63.200 -0.125 0.000 1.336 181 S HN 1.121 nan 8.310 nan 0.000 0.664 182 T N 0.930 115.243 114.554 -0.402 0.000 2.721 182 T HA -0.129 4.221 4.350 -0.000 0.000 0.268 182 T C 1.872 176.478 174.700 -0.157 0.000 1.038 182 T CA 1.989 63.746 62.100 -0.570 0.000 1.145 182 T CB -1.229 67.156 68.868 -0.805 0.000 0.858 182 T HN 0.864 nan 8.240 nan 0.000 0.459 183 A N 1.828 124.626 122.820 -0.036 0.000 2.009 183 A HA -0.085 4.235 4.320 -0.000 0.000 0.222 183 A C 2.773 180.444 177.584 0.146 0.000 1.175 183 A CA 2.492 54.577 52.037 0.081 0.000 0.651 183 A CB -1.384 17.661 19.000 0.074 0.000 0.815 183 A HN 1.090 nan 8.150 nan 0.000 0.459 184 V N -1.854 118.126 119.914 0.110 0.000 2.515 184 V HA -0.199 3.921 4.120 -0.000 0.000 0.250 184 V C 1.718 177.930 176.094 0.198 0.000 1.058 184 V CA 2.529 64.899 62.300 0.117 0.000 1.064 184 V CB -0.768 31.041 31.823 -0.024 0.000 0.675 184 V HN 0.442 nan 8.190 nan 0.000 0.461 185 D N 0.634 121.158 120.400 0.207 0.000 2.144 185 D HA -0.069 4.571 4.640 -0.000 0.000 0.200 185 D C 2.254 178.690 176.300 0.227 0.000 0.978 185 D CA 1.545 55.690 54.000 0.241 0.000 0.833 185 D CB -0.121 40.885 40.800 0.343 0.000 0.961 185 D HN 0.435 nan 8.370 nan 0.000 0.470 186 I N 0.530 121.252 120.570 0.253 0.000 2.226 186 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 186 I C 2.420 178.668 176.117 0.219 0.000 1.100 186 I CA 0.772 62.199 61.300 0.211 0.000 1.374 186 I CB -1.019 37.102 38.000 0.200 0.000 1.057 186 I HN 0.283 nan 8.210 nan 0.000 0.413 187 W N 2.224 123.587 121.300 0.104 0.000 2.304 187 W HA -0.287 4.373 4.660 0.000 0.000 0.315 187 W C 2.585 179.197 176.519 0.155 0.000 1.233 187 W CA 2.208 59.621 57.345 0.114 0.000 1.261 187 W CB -0.351 29.162 29.460 0.089 0.000 1.150 187 W HN 0.130 nan 8.180 nan 0.000 0.494 188 S N 1.100 117.019 115.700 0.366 0.000 2.382 188 S HA -0.173 4.297 4.470 -0.000 0.000 0.228 188 S C 1.974 176.665 174.600 0.151 0.000 1.027 188 S CA 1.426 59.809 58.200 0.305 0.000 0.991 188 S CB -0.715 62.638 63.200 0.255 0.000 0.823 188 S HN 0.253 nan 8.310 nan 0.000 0.469 189 L N 1.084 122.366 121.223 0.098 0.000 2.046 189 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 189 L C 2.805 179.732 176.870 0.095 0.000 1.077 189 L CA 1.258 56.138 54.840 0.067 0.000 0.747 189 L CB -1.355 40.734 42.059 0.051 0.000 0.896 189 L HN 0.441 nan 8.230 nan 0.000 0.432 190 G N -0.451 108.375 108.800 0.043 0.000 2.491 190 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.218 190 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.218 190 G C 1.612 176.472 174.900 -0.066 0.000 1.180 190 G CA 1.147 46.238 45.100 -0.015 0.000 0.774 190 G HN 0.429 nan 8.290 nan 0.000 0.562 191 C N 0.193 119.429 119.300 -0.107 0.000 2.422 191 C HA 0.074 4.534 4.460 -0.000 0.000 0.279 191 C C 2.846 177.887 174.990 0.085 0.000 1.305 191 C CA 0.451 59.433 59.018 -0.060 0.000 1.757 191 C CB -0.977 26.837 27.740 0.123 0.000 1.962 191 C HN 0.473 nan 8.230 nan 0.000 0.499 192 I N -0.186 120.480 120.570 0.159 0.000 2.353 192 I HA -0.142 4.028 4.170 -0.000 0.000 0.248 192 I C 2.426 178.664 176.117 0.201 0.000 1.119 192 I CA 1.110 62.507 61.300 0.162 0.000 1.417 192 I CB -0.504 37.541 38.000 0.077 0.000 1.078 192 I HN 0.227 nan 8.210 nan 0.000 0.421 193 F N 2.383 122.331 119.950 -0.005 0.000 2.095 193 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 193 F C 2.471 178.241 175.800 -0.050 0.000 1.104 193 F CA 1.380 59.374 58.000 -0.011 0.000 1.232 193 F CB -0.897 38.073 39.000 -0.050 0.000 0.987 193 F HN 0.046 nan 8.300 nan 0.000 0.475 194 A N -0.235 122.488 122.820 -0.162 0.000 1.908 194 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 194 A C 2.316 179.804 177.584 -0.160 0.000 1.181 194 A CA 1.873 53.720 52.037 -0.315 0.000 0.627 194 A CB -0.970 17.796 19.000 -0.391 0.000 0.818 194 A HN 0.566 nan 8.150 nan 0.000 0.445 195 E N -0.920 119.254 120.200 -0.044 0.000 2.112 195 E HA -0.075 4.275 4.350 -0.000 0.000 0.190 195 E C 2.046 178.682 176.600 0.061 0.000 0.979 195 E CA 0.779 57.182 56.400 0.006 0.000 0.814 195 E CB -0.143 29.612 29.700 0.093 0.000 0.762 195 E HN 0.644 nan 8.360 nan 0.000 0.460 196 M N 0.057 119.736 119.600 0.132 0.000 2.279 196 M HA -0.140 4.340 4.480 -0.000 0.000 0.264 196 M C 2.139 178.514 176.300 0.125 0.000 1.062 196 M CA 0.824 56.233 55.300 0.181 0.000 1.099 196 M CB 0.152 32.921 32.600 0.281 0.000 1.394 196 M HN 0.085 nan 8.290 nan 0.000 0.426 197 V N -0.153 119.801 119.914 0.067 0.000 2.302 197 V HA -0.182 3.938 4.120 -0.000 0.000 0.243 197 V C 2.484 178.558 176.094 -0.033 0.000 1.036 197 V CA 2.278 64.583 62.300 0.009 0.000 1.020 197 V CB -0.857 30.905 31.823 -0.102 0.000 0.657 197 V HN 0.590 nan 8.190 nan 0.000 0.453 198 T N -3.356 111.157 114.554 -0.070 0.000 3.065 198 T HA 0.070 4.420 4.350 -0.000 0.000 0.252 198 T C 1.210 175.878 174.700 -0.054 0.000 1.099 198 T CA 0.285 62.337 62.100 -0.081 0.000 1.063 198 T CB -0.098 68.693 68.868 -0.129 0.000 0.948 198 T HN 0.363 nan 8.240 nan 0.000 0.506 199 R N 0.670 121.156 120.500 -0.022 0.000 3.953 199 R HA -0.154 4.186 4.340 -0.000 0.000 0.340 199 R C -0.087 176.201 176.300 -0.019 0.000 1.195 199 R CA 1.275 57.372 56.100 -0.004 0.000 0.929 199 R CB -1.458 28.834 30.300 -0.012 0.000 1.402 199 R HN 0.825 nan 8.270 nan 0.000 0.540 200 R N -1.122 119.344 120.500 -0.056 0.000 2.698 200 R HA 0.711 5.051 4.340 -0.000 0.000 0.275 200 R C -0.766 175.448 176.300 -0.143 0.000 1.001 200 R CA -0.330 55.718 56.100 -0.088 0.000 0.896 200 R CB 1.533 31.761 30.300 -0.120 0.000 1.218 200 R HN 0.047 nan 8.270 nan 0.000 0.462 201 A N 2.696 125.409 122.820 -0.178 0.000 2.565 201 A HA 0.015 4.335 4.320 -0.000 0.000 0.237 201 A C 0.917 178.248 177.584 -0.422 0.000 1.053 201 A CA -0.376 51.487 52.037 -0.289 0.000 0.755 201 A CB 0.171 18.826 19.000 -0.574 0.000 0.980 201 A HN 0.774 nan 8.150 nan 0.000 0.506 202 L N 2.257 123.200 121.223 -0.468 0.000 2.027 202 L HA 0.139 4.479 4.340 -0.000 0.000 0.206 202 L C 0.183 176.586 176.870 -0.779 0.000 1.074 202 L CA 1.853 56.261 54.840 -0.720 0.000 0.745 202 L CB -0.269 41.211 42.059 -0.965 0.000 0.898 202 L HN 0.615 nan 8.230 nan 0.000 0.433 203 F N 0.910 120.644 119.950 -0.359 0.000 2.564 203 F HA 0.409 4.936 4.527 0.000 0.000 0.361 203 F C -2.191 173.262 175.800 -0.579 0.000 1.161 203 F CA -2.505 55.290 58.000 -0.342 0.000 1.198 203 F CB 0.460 39.364 39.000 -0.161 0.000 1.424 203 F HN -0.004 nan 8.300 nan 0.000 0.517 204 P HA 0.218 nan 4.420 nan 0.000 0.219 204 P C 0.554 177.610 177.300 -0.407 0.000 1.847 204 P CA 0.113 62.429 63.100 -1.306 0.000 1.059 204 P CB 0.678 31.525 31.700 -1.422 0.000 1.900 205 G N 1.561 110.302 108.800 -0.097 0.000 2.606 205 G HA2 0.148 4.108 3.960 -0.000 0.000 0.252 205 G HA3 0.148 4.108 3.960 -0.000 0.000 0.252 205 G C 0.020 175.048 174.900 0.213 0.000 1.206 205 G CA -0.424 44.704 45.100 0.047 0.000 0.861 205 G HN 0.252 nan 8.290 nan 0.000 0.561 206 D N -1.728 118.738 120.400 0.110 0.000 2.469 206 D HA 0.230 4.870 4.640 -0.000 0.000 0.213 206 D C 0.782 177.101 176.300 0.032 0.000 1.135 206 D CA 0.208 54.269 54.000 0.101 0.000 0.834 206 D CB 0.767 41.614 40.800 0.078 0.000 1.009 206 D HN 0.476 nan 8.370 nan 0.000 0.507 207 S N -1.075 114.623 115.700 -0.004 0.000 2.638 207 S HA 0.321 4.791 4.470 -0.000 0.000 0.274 207 S C 0.489 175.042 174.600 -0.078 0.000 1.157 207 S CA -0.882 57.294 58.200 -0.041 0.000 0.826 207 S CB 2.044 65.210 63.200 -0.058 0.000 1.139 207 S HN -0.116 nan 8.310 nan 0.000 0.474 208 E N -0.131 120.018 120.200 -0.086 0.000 2.058 208 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 208 E C 1.614 178.084 176.600 -0.217 0.000 0.997 208 E CA 1.447 57.779 56.400 -0.113 0.000 0.801 208 E CB -0.271 29.390 29.700 -0.065 0.000 0.746 208 E HN 0.577 nan 8.360 nan 0.000 0.450 209 I N 1.474 121.881 120.570 -0.273 0.000 2.315 209 I HA -0.217 3.953 4.170 -0.000 0.000 0.248 209 I C 1.873 177.588 176.117 -0.671 0.000 1.117 209 I CA 1.408 62.389 61.300 -0.532 0.000 1.404 209 I CB -0.111 37.588 38.000 -0.501 0.000 1.071 209 I HN -0.003 nan 8.210 nan 0.000 0.419 210 D N -0.370 119.807 120.400 -0.372 0.000 2.123 210 D HA -0.284 4.356 4.640 -0.000 0.000 0.196 210 D C 2.139 178.314 176.300 -0.209 0.000 0.992 210 D CA 1.468 55.328 54.000 -0.233 0.000 0.833 210 D CB -0.103 40.630 40.800 -0.112 0.000 0.954 210 D HN 0.361 nan 8.370 nan 0.000 0.455 211 Q N 0.020 119.699 119.800 -0.201 0.000 2.002 211 Q HA -0.083 4.257 4.340 -0.000 0.000 0.204 211 Q C 2.379 178.187 176.000 -0.320 0.000 0.988 211 Q CA 1.342 57.032 55.803 -0.188 0.000 0.843 211 Q CB -0.627 28.036 28.738 -0.126 0.000 0.908 211 Q HN 0.403 nan 8.270 nan 0.000 0.420 212 L N -0.583 120.389 121.223 -0.420 0.000 1.997 212 L HA -0.239 4.101 4.340 -0.000 0.000 0.216 212 L C 2.220 178.649 176.870 -0.734 0.000 1.074 212 L CA 1.473 55.918 54.840 -0.658 0.000 0.763 212 L CB -0.504 41.119 42.059 -0.726 0.000 0.890 212 L HN 0.322 nan 8.230 nan 0.000 0.434 213 F N -0.161 119.424 119.950 -0.609 0.000 2.259 213 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 213 F C 2.690 178.208 175.800 -0.471 0.000 1.088 213 F CA 0.963 58.706 58.000 -0.428 0.000 1.358 213 F CB -0.909 38.004 39.000 -0.146 0.000 1.040 213 F HN 0.015 nan 8.300 nan 0.000 0.505 214 R N 0.067 120.457 120.500 -0.183 0.000 2.092 214 R HA -0.097 4.243 4.340 -0.000 0.000 0.231 214 R C 2.288 178.476 176.300 -0.186 0.000 1.119 214 R CA 1.160 57.158 56.100 -0.170 0.000 0.970 214 R CB -0.372 29.883 30.300 -0.076 0.000 0.864 214 R HN 0.234 nan 8.270 nan 0.000 0.440 215 I N -0.070 120.240 120.570 -0.433 0.000 2.202 215 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 215 I C 1.683 177.856 176.117 0.094 0.000 1.091 215 I CA 1.052 62.018 61.300 -0.557 0.000 1.368 215 I CB -0.265 37.393 38.000 -0.570 0.000 1.058 215 I HN 0.066 nan 8.210 nan 0.000 0.410 216 F N 1.425 121.386 119.950 0.018 0.000 2.095 216 F HA -0.191 4.336 4.527 -0.000 0.000 0.298 216 F C 2.646 178.436 175.800 -0.017 0.000 1.104 216 F CA 1.341 59.428 58.000 0.146 0.000 1.232 216 F CB -1.268 37.892 39.000 0.266 0.000 0.987 216 F HN 0.036 nan 8.300 nan 0.000 0.475 217 R N -0.906 119.443 120.500 -0.252 0.000 2.237 217 R HA -0.073 4.267 4.340 -0.000 0.000 0.219 217 R C 1.861 178.088 176.300 -0.122 0.000 1.080 217 R CA 1.448 57.261 56.100 -0.477 0.000 0.995 217 R CB -0.516 29.279 30.300 -0.842 0.000 0.875 217 R HN 0.229 nan 8.270 nan 0.000 0.462 218 T N 0.171 114.740 114.554 0.025 0.000 3.010 218 T HA 0.150 4.500 4.350 -0.000 0.000 0.252 218 T C 1.458 176.228 174.700 0.117 0.000 1.047 218 T CA 0.598 62.740 62.100 0.069 0.000 1.140 218 T CB 0.323 69.327 68.868 0.227 0.000 0.885 218 T HN 0.102 nan 8.240 nan 0.000 0.464 219 L N 0.154 121.518 121.223 0.236 0.000 2.858 219 L HA 0.443 4.783 4.340 -0.000 0.000 0.251 219 L C 0.924 178.024 176.870 0.383 0.000 1.149 219 L CA -0.364 54.650 54.840 0.290 0.000 0.955 219 L CB 0.361 42.554 42.059 0.223 0.000 1.289 219 L HN 0.368 nan 8.230 nan 0.000 0.542 220 G N 0.503 109.506 108.800 0.338 0.000 2.721 220 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.686 220 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.686 220 G C -0.294 174.743 174.900 0.228 0.000 1.236 220 G CA -0.791 44.477 45.100 0.281 0.000 0.786 220 G HN -0.085 nan 8.290 nan 0.000 0.616 221 T N 4.607 119.190 114.554 0.048 0.000 2.870 221 T HA 0.489 4.839 4.350 -0.000 0.000 0.300 221 T C -1.463 173.001 174.700 -0.393 0.000 0.989 221 T CA 0.151 61.990 62.100 -0.435 0.000 1.139 221 T CB 1.167 69.839 68.868 -0.327 0.000 0.920 221 T HN 0.630 nan 8.240 nan 0.000 0.537 222 P HA 0.256 nan 4.420 nan 0.000 0.276 222 P C -0.830 176.346 177.300 -0.206 0.000 1.235 222 P CA -0.491 62.333 63.100 -0.460 0.000 0.772 222 P CB 0.762 32.094 31.700 -0.612 0.000 0.871 223 D N 1.229 121.565 120.400 -0.106 0.000 2.569 223 D HA 0.164 4.804 4.640 -0.000 0.000 0.266 223 D C 0.962 177.226 176.300 -0.059 0.000 1.164 223 D CA -0.552 53.395 54.000 -0.088 0.000 1.071 223 D CB 0.348 41.119 40.800 -0.049 0.000 1.183 223 D HN 0.110 nan 8.370 nan 0.000 0.613 224 E N -0.549 119.603 120.200 -0.080 0.000 2.204 224 E HA -0.054 4.296 4.350 -0.000 0.000 0.194 224 E C 2.077 178.691 176.600 0.024 0.000 0.989 224 E CA 0.518 56.885 56.400 -0.055 0.000 0.824 224 E CB -0.267 29.387 29.700 -0.076 0.000 0.756 224 E HN 0.392 nan 8.360 nan 0.000 0.477 225 V N 0.871 120.802 119.914 0.028 0.000 2.216 225 V HA -0.208 3.912 4.120 -0.000 0.000 0.243 225 V C 2.459 178.618 176.094 0.108 0.000 1.044 225 V CA 1.852 64.186 62.300 0.057 0.000 0.995 225 V CB -1.012 30.836 31.823 0.043 0.000 0.633 225 V HN 0.129 nan 8.190 nan 0.000 0.446 226 V N -1.611 118.376 119.914 0.121 0.000 2.759 226 V HA -0.097 4.023 4.120 -0.000 0.000 0.256 226 V C 0.476 176.750 176.094 0.300 0.000 1.080 226 V CA 1.280 63.689 62.300 0.182 0.000 1.101 226 V CB 0.150 32.072 31.823 0.165 0.000 0.698 226 V HN 0.751 nan 8.190 nan 0.000 0.477 227 W N 1.896 123.217 121.300 0.035 0.000 2.362 227 W HA 0.479 5.139 4.660 0.000 0.000 0.286 227 W C -3.211 173.306 176.519 -0.003 0.000 1.036 227 W CA -3.216 54.158 57.345 0.048 0.000 1.236 227 W CB 0.683 30.161 29.460 0.030 0.000 1.142 227 W HN 0.088 nan 8.180 nan 0.000 0.317 228 P HA 0.301 nan 4.420 nan 0.000 0.268 228 P C 0.864 178.178 177.300 0.024 0.000 1.204 228 P CA 2.215 65.380 63.100 0.107 0.000 0.768 228 P CB 1.034 32.806 31.700 0.120 0.000 0.842 229 G N 1.258 109.987 108.800 -0.118 0.000 2.253 229 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.251 229 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.251 229 G C 0.968 175.605 174.900 -0.438 0.000 0.998 229 G CA 0.359 45.334 45.100 -0.208 0.000 0.621 229 G HN 0.385 nan 8.290 nan 0.000 0.524 230 V N 0.679 120.184 119.914 -0.681 0.000 2.252 230 V HA -0.176 3.944 4.120 -0.000 0.000 0.249 230 V C 3.090 178.687 176.094 -0.828 0.000 1.056 230 V CA 3.332 65.058 62.300 -0.957 0.000 1.022 230 V CB -1.990 29.291 31.823 -0.902 0.000 0.641 230 V HN 1.130 nan 8.190 nan 0.000 0.445 231 T N -2.754 111.269 114.554 -0.885 0.000 3.077 231 T HA -0.094 4.256 4.350 -0.000 0.000 0.269 231 T C 1.649 176.056 174.700 -0.489 0.000 1.146 231 T CA 1.567 63.016 62.100 -1.086 0.000 1.091 231 T CB -0.320 68.162 68.868 -0.642 0.000 0.892 231 T HN 0.451 nan 8.240 nan 0.000 0.533 232 S N 0.175 115.666 115.700 -0.348 0.000 2.502 232 S HA 0.405 4.875 4.470 -0.000 0.000 0.215 232 S C 0.772 175.290 174.600 -0.136 0.000 1.009 232 S CA -0.397 57.692 58.200 -0.184 0.000 0.908 232 S CB -0.181 62.926 63.200 -0.154 0.000 0.801 232 S HN 0.515 nan 8.310 nan 0.000 0.505 233 M N 2.438 121.932 119.600 -0.177 0.000 2.248 233 M HA 0.041 4.521 4.480 -0.000 0.000 0.343 233 M C -1.692 174.601 176.300 -0.012 0.000 1.243 233 M CA -0.949 54.291 55.300 -0.100 0.000 1.025 233 M CB -0.237 32.279 32.600 -0.139 0.000 1.759 233 M HN -0.092 nan 8.290 nan 0.000 0.452 234 P HA -0.181 nan 4.420 nan 0.000 0.217 234 P C 0.216 177.514 177.300 -0.004 0.000 1.151 234 P CA 1.475 64.557 63.100 -0.030 0.000 0.849 234 P CB 0.153 31.816 31.700 -0.061 0.000 0.787 235 D N -3.210 117.213 120.400 0.038 0.000 2.424 235 D HA 0.046 4.686 4.640 -0.000 0.000 0.220 235 D C 0.023 176.390 176.300 0.112 0.000 1.150 235 D CA -0.345 53.693 54.000 0.062 0.000 0.831 235 D CB -0.394 40.453 40.800 0.079 0.000 0.981 235 D HN 0.215 nan 8.370 nan 0.000 0.500 236 Y N 2.181 122.462 120.300 -0.032 0.000 2.442 236 Y HA 0.105 4.655 4.550 -0.000 0.000 0.330 236 Y C 0.008 175.645 175.900 -0.440 0.000 1.129 236 Y CA 0.057 58.068 58.100 -0.149 0.000 1.365 236 Y CB 0.473 38.844 38.460 -0.148 0.000 1.233 236 Y HN -0.377 nan 8.280 nan 0.000 0.529 237 K N 8.491 127.757 120.400 -1.890 0.000 2.376 237 K HA 0.258 4.578 4.320 -0.000 0.000 0.257 237 K C -2.187 173.549 176.600 -1.440 0.000 0.939 237 K CA -2.245 53.233 56.287 -1.349 0.000 0.809 237 K CB 1.670 33.588 32.500 -0.970 0.000 1.121 237 K HN 0.417 nan 8.250 nan 0.000 0.425 238 P HA -0.119 nan 4.420 nan 0.000 0.230 238 P C 0.750 177.902 177.300 -0.246 0.000 1.158 238 P CA 0.908 63.836 63.100 -0.288 0.000 0.769 238 P CB 0.314 31.964 31.700 -0.084 0.000 0.807 239 S N -1.981 113.553 115.700 -0.277 0.000 2.603 239 S HA 0.015 4.485 4.470 -0.000 0.000 0.220 239 S C 0.698 175.288 174.600 -0.017 0.000 0.967 239 S CA -0.471 57.653 58.200 -0.126 0.000 0.920 239 S CB -1.075 62.078 63.200 -0.080 0.000 0.773 239 S HN -0.187 nan 8.310 nan 0.000 0.529 240 F N 3.897 123.767 119.950 -0.134 0.000 2.604 240 F HA 0.263 4.790 4.527 0.000 0.000 0.393 240 F C -2.126 173.520 175.800 -0.256 0.000 1.043 240 F CA -2.515 55.436 58.000 -0.082 0.000 1.227 240 F CB -0.818 38.187 39.000 0.007 0.000 1.016 240 F HN 0.099 nan 8.300 nan 0.000 0.556 241 P HA 0.013 nan 4.420 nan 0.000 0.268 241 P C -0.585 176.325 177.300 -0.651 0.000 1.205 241 P CA -0.046 62.623 63.100 -0.719 0.000 0.771 241 P CB 0.435 31.280 31.700 -1.424 0.000 0.858 242 K N 3.292 123.398 120.400 -0.491 0.000 2.296 242 K HA 0.210 4.530 4.320 -0.000 0.000 0.257 242 K C -0.443 176.039 176.600 -0.196 0.000 1.088 242 K CA -0.131 56.005 56.287 -0.251 0.000 0.980 242 K CB 0.668 33.080 32.500 -0.146 0.000 1.430 242 K HN 0.528 nan 8.250 nan 0.000 0.441 243 W N 0.972 122.243 121.300 -0.049 0.000 2.381 243 W HA 0.337 4.997 4.660 0.000 0.000 0.329 243 W C 0.515 177.037 176.519 0.005 0.000 1.157 243 W CA -0.924 56.414 57.345 -0.013 0.000 1.240 243 W CB 1.211 30.681 29.460 0.017 0.000 1.199 243 W HN 0.432 nan 8.180 nan 0.000 0.579 244 A N 3.189 126.162 122.820 0.255 0.000 2.407 244 A HA 0.292 4.612 4.320 -0.000 0.000 0.248 244 A C 0.317 178.002 177.584 0.169 0.000 1.082 244 A CA -0.407 51.728 52.037 0.163 0.000 0.785 244 A CB 0.235 19.305 19.000 0.116 0.000 1.020 244 A HN 0.694 nan 8.150 nan 0.000 0.489 245 R N 1.790 122.378 120.500 0.147 0.000 2.491 245 R HA 0.144 4.484 4.340 -0.000 0.000 0.283 245 R C -0.188 176.181 176.300 0.116 0.000 1.072 245 R CA -0.027 56.165 56.100 0.154 0.000 1.048 245 R CB 0.330 30.729 30.300 0.166 0.000 0.983 245 R HN 0.842 nan 8.270 nan 0.000 0.450 246 Q N 1.869 121.727 119.800 0.097 0.000 2.354 246 Q HA -0.002 4.338 4.340 -0.000 0.000 0.244 246 Q C -0.609 175.443 176.000 0.085 0.000 0.969 246 Q CA -0.317 55.516 55.803 0.051 0.000 0.885 246 Q CB 1.002 29.727 28.738 -0.022 0.000 1.241 246 Q HN 0.592 nan 8.270 nan 0.000 0.461 247 D N 1.043 121.479 120.400 0.060 0.000 2.401 247 D HA -0.078 4.562 4.640 -0.000 0.000 0.254 247 D C 0.150 176.489 176.300 0.065 0.000 1.192 247 D CA 0.160 54.212 54.000 0.087 0.000 0.885 247 D CB 0.357 41.186 40.800 0.049 0.000 1.147 247 D HN 0.386 nan 8.370 nan 0.000 0.478 248 F N 2.390 122.311 119.950 -0.049 0.000 2.236 248 F HA -0.210 4.317 4.527 -0.000 0.000 0.302 248 F C 2.680 178.422 175.800 -0.097 0.000 1.073 248 F CA 1.594 59.545 58.000 -0.083 0.000 1.336 248 F CB -0.405 38.541 39.000 -0.089 0.000 1.040 248 F HN 0.540 nan 8.300 nan 0.000 0.507 249 S N -0.968 114.769 115.700 0.061 0.000 2.469 249 S HA -0.148 4.322 4.470 -0.000 0.000 0.238 249 S C 1.890 176.447 174.600 -0.072 0.000 0.998 249 S CA 0.766 58.963 58.200 -0.006 0.000 0.957 249 S CB -0.246 62.959 63.200 0.009 0.000 0.764 249 S HN 0.211 nan 8.310 nan 0.000 0.514 250 K N 0.920 121.262 120.400 -0.097 0.000 2.314 250 K HA 0.300 4.620 4.320 -0.000 0.000 0.198 250 K C 2.032 178.508 176.600 -0.206 0.000 1.045 250 K CA 0.547 56.759 56.287 -0.126 0.000 0.988 250 K CB -0.672 31.771 32.500 -0.095 0.000 0.783 250 K HN 0.369 nan 8.250 nan 0.000 0.484 251 V N 0.963 120.684 119.914 -0.321 0.000 2.358 251 V HA -0.105 4.015 4.120 -0.000 0.000 0.246 251 V C 1.128 176.992 176.094 -0.382 0.000 1.047 251 V CA 1.141 63.175 62.300 -0.444 0.000 1.035 251 V CB -0.049 31.288 31.823 -0.810 0.000 0.658 251 V HN -0.101 nan 8.190 nan 0.000 0.452 252 V N 0.240 119.956 119.914 -0.329 0.000 2.564 252 V HA 0.243 4.363 4.120 -0.000 0.000 0.259 252 V C -1.824 174.158 176.094 -0.188 0.000 0.936 252 V CA -0.791 61.344 62.300 -0.276 0.000 0.867 252 V CB 1.027 32.639 31.823 -0.351 0.000 1.076 252 V HN 0.271 nan 8.190 nan 0.000 0.476 253 P HA -0.125 nan 4.420 nan 0.000 0.217 253 P C -1.219 176.036 177.300 -0.076 0.000 1.158 253 P CA 1.862 64.903 63.100 -0.099 0.000 0.887 253 P CB -0.679 30.968 31.700 -0.087 0.000 0.792 254 P HA -0.058 nan 4.420 nan 0.000 0.222 254 P C 0.231 177.513 177.300 -0.030 0.000 1.147 254 P CA 0.543 63.615 63.100 -0.045 0.000 0.790 254 P CB -0.228 31.447 31.700 -0.042 0.000 0.780 255 L N 1.441 122.628 121.223 -0.060 0.000 2.455 255 L HA 0.039 4.379 4.340 -0.000 0.000 0.272 255 L C 0.787 177.654 176.870 -0.004 0.000 1.174 255 L CA -0.269 54.546 54.840 -0.042 0.000 0.869 255 L CB -0.524 41.451 42.059 -0.139 0.000 1.130 255 L HN 0.053 nan 8.230 nan 0.000 0.474 256 D N 1.273 121.702 120.400 0.048 0.000 2.369 256 D HA -0.036 4.604 4.640 -0.000 0.000 0.241 256 D C 0.991 177.320 176.300 0.047 0.000 1.271 256 D CA -0.088 53.947 54.000 0.058 0.000 0.942 256 D CB 0.367 41.229 40.800 0.103 0.000 1.129 256 D HN 0.658 nan 8.370 nan 0.000 0.476 257 E N -0.634 119.598 120.200 0.052 0.000 2.086 257 E HA -0.318 4.032 4.350 -0.000 0.000 0.200 257 E C 1.118 177.759 176.600 0.069 0.000 1.012 257 E CA 1.981 58.411 56.400 0.050 0.000 0.812 257 E CB 0.022 29.752 29.700 0.051 0.000 0.743 257 E HN 0.475 nan 8.360 nan 0.000 0.453 258 D N -1.125 119.353 120.400 0.131 0.000 2.137 258 D HA -0.049 4.591 4.640 -0.000 0.000 0.202 258 D C 1.811 178.129 176.300 0.031 0.000 0.970 258 D CA 1.185 55.321 54.000 0.226 0.000 0.837 258 D CB -0.668 40.331 40.800 0.332 0.000 0.981 258 D HN 0.342 nan 8.370 nan 0.000 0.475 259 G N 0.900 109.651 108.800 -0.082 0.000 2.446 259 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.217 259 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.217 259 G C 1.725 176.430 174.900 -0.325 0.000 1.168 259 G CA 0.402 45.163 45.100 -0.564 0.000 0.771 259 G HN 0.181 nan 8.290 nan 0.000 0.551 260 R N 0.155 120.563 120.500 -0.153 0.000 2.083 260 R HA -0.105 4.235 4.340 -0.000 0.000 0.237 260 R C 2.966 179.186 176.300 -0.135 0.000 1.137 260 R CA 1.570 57.627 56.100 -0.072 0.000 0.951 260 R CB -0.625 29.682 30.300 0.011 0.000 0.851 260 R HN 0.442 nan 8.270 nan 0.000 0.434 261 S N 0.978 116.617 115.700 -0.101 0.000 2.353 261 S HA -0.172 4.298 4.470 -0.000 0.000 0.222 261 S C 1.968 176.485 174.600 -0.138 0.000 1.035 261 S CA 1.403 59.568 58.200 -0.060 0.000 1.025 261 S CB -0.273 63.020 63.200 0.156 0.000 0.902 261 S HN 0.262 nan 8.310 nan 0.000 0.440 262 L N 1.218 122.200 121.223 -0.400 0.000 2.042 262 L HA 0.030 4.370 4.340 -0.000 0.000 0.210 262 L C 2.222 179.001 176.870 -0.152 0.000 1.076 262 L CA 1.790 56.330 54.840 -0.499 0.000 0.749 262 L CB -0.878 40.676 42.059 -0.841 0.000 0.893 262 L HN 0.476 nan 8.230 nan 0.000 0.432 263 L N -0.690 120.467 121.223 -0.109 0.000 2.046 263 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 263 L C 2.780 179.628 176.870 -0.038 0.000 1.077 263 L CA 2.094 56.912 54.840 -0.036 0.000 0.747 263 L CB -0.826 41.143 42.059 -0.150 0.000 0.896 263 L HN 0.612 nan 8.230 nan 0.000 0.432 264 S N -1.405 114.140 115.700 -0.259 0.000 2.382 264 S HA -0.253 4.217 4.470 -0.000 0.000 0.228 264 S C 1.860 176.389 174.600 -0.118 0.000 1.027 264 S CA 1.256 59.171 58.200 -0.475 0.000 0.991 264 S CB -0.649 62.007 63.200 -0.908 0.000 0.823 264 S HN 0.682 nan 8.310 nan 0.000 0.469 265 Q N 0.403 120.183 119.800 -0.033 0.000 2.119 265 Q HA 0.097 4.437 4.340 -0.000 0.000 0.201 265 Q C 2.294 178.347 176.000 0.088 0.000 0.972 265 Q CA 1.450 57.302 55.803 0.081 0.000 0.847 265 Q CB -0.365 28.415 28.738 0.070 0.000 0.903 265 Q HN 0.621 nan 8.270 nan 0.000 0.433 266 M N -0.037 119.591 119.600 0.046 0.000 2.476 266 M HA -0.051 4.429 4.480 -0.000 0.000 0.262 266 M C 0.957 177.265 176.300 0.014 0.000 1.079 266 M CA 1.018 56.351 55.300 0.055 0.000 1.104 266 M CB 0.297 32.931 32.600 0.056 0.000 1.409 266 M HN 0.142 nan 8.290 nan 0.000 0.467 267 L N -1.013 120.187 121.223 -0.038 0.000 3.110 267 L HA 0.218 4.558 4.340 -0.000 0.000 0.266 267 L C 0.268 177.151 176.870 0.023 0.000 1.257 267 L CA -0.408 54.335 54.840 -0.161 0.000 1.038 267 L CB -0.230 41.642 42.059 -0.313 0.000 1.395 267 L HN 0.167 nan 8.230 nan 0.000 0.566 268 H N -0.441 118.637 119.070 0.013 0.000 2.928 268 H HA -0.025 4.531 4.556 -0.000 0.000 0.338 268 H C 0.488 175.806 175.328 -0.018 0.000 1.047 268 H CA 0.900 56.947 56.048 -0.002 0.000 1.435 268 H CB 1.000 30.761 29.762 -0.001 0.000 1.428 268 H HN 0.181 nan 8.280 nan 0.000 0.590 269 Y N 1.238 121.525 120.300 -0.022 0.000 2.114 269 Y HA -0.216 4.334 4.550 0.000 0.000 0.284 269 Y C 1.470 176.808 175.900 -0.937 0.000 1.143 269 Y CA 1.095 58.986 58.100 -0.348 0.000 1.135 269 Y CB 0.173 38.520 38.460 -0.188 0.000 0.980 269 Y HN 0.583 nan 8.280 nan 0.000 0.499 270 D N 0.300 120.410 120.400 -0.482 0.000 2.358 270 D HA 0.017 4.657 4.640 -0.000 0.000 0.258 270 D C -1.978 174.171 176.300 -0.252 0.000 1.223 270 D CA -1.862 51.755 54.000 -0.639 0.000 0.886 270 D CB 1.244 41.979 40.800 -0.109 0.000 1.120 270 D HN 0.029 nan 8.370 nan 0.000 0.482 271 P HA -0.111 nan 4.420 nan 0.000 0.216 271 P C 0.895 178.198 177.300 0.005 0.000 1.150 271 P CA 0.773 63.854 63.100 -0.031 0.000 0.837 271 P CB 0.317 32.047 31.700 0.051 0.000 0.786 272 N N -0.434 118.277 118.700 0.019 0.000 2.149 272 N HA -0.139 4.601 4.740 -0.000 0.000 0.188 272 N C 1.391 176.885 175.510 -0.028 0.000 1.019 272 N CA 1.161 54.221 53.050 0.016 0.000 0.857 272 N CB -0.451 38.062 38.487 0.044 0.000 0.997 272 N HN 0.198 nan 8.380 nan 0.000 0.426 273 K N 0.592 120.946 120.400 -0.076 0.000 2.314 273 K HA 0.039 4.359 4.320 -0.000 0.000 0.198 273 K C 0.720 177.170 176.600 -0.251 0.000 1.045 273 K CA -0.097 56.060 56.287 -0.217 0.000 0.988 273 K CB 0.188 32.455 32.500 -0.388 0.000 0.783 273 K HN 0.181 nan 8.250 nan 0.000 0.484 274 R N 1.840 122.287 120.500 -0.088 0.000 2.585 274 R HA 0.043 4.383 4.340 -0.000 0.000 0.275 274 R C 0.153 176.462 176.300 0.015 0.000 1.018 274 R CA -0.014 56.096 56.100 0.016 0.000 1.072 274 R CB 0.136 30.499 30.300 0.105 0.000 0.953 274 R HN 0.087 nan 8.270 nan 0.000 0.419 275 I N 3.747 124.341 120.570 0.040 0.000 2.710 275 I HA -0.086 4.084 4.170 -0.000 0.000 0.286 275 I C 0.419 176.594 176.117 0.097 0.000 1.181 275 I CA 0.434 61.773 61.300 0.065 0.000 1.430 275 I CB 0.709 38.762 38.000 0.089 0.000 1.367 275 I HN 0.815 nan 8.210 nan 0.000 0.577 276 S N 5.957 121.716 115.700 0.097 0.000 2.584 276 S HA 0.233 4.703 4.470 -0.000 0.000 0.270 276 S C 1.103 175.786 174.600 0.138 0.000 1.346 276 S CA -0.086 58.190 58.200 0.127 0.000 1.018 276 S CB 1.642 64.911 63.200 0.114 0.000 0.899 276 S HN 0.800 nan 8.310 nan 0.000 0.542 277 A N 2.247 125.161 122.820 0.157 0.000 1.898 277 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 277 A C 2.180 179.807 177.584 0.073 0.000 1.181 277 A CA 1.590 53.687 52.037 0.099 0.000 0.620 277 A CB -0.896 18.132 19.000 0.046 0.000 0.819 277 A HN 0.966 nan 8.150 nan 0.000 0.442 278 K N -0.122 120.328 120.400 0.084 0.000 2.020 278 K HA -0.168 4.152 4.320 -0.000 0.000 0.212 278 K C 2.096 178.751 176.600 0.092 0.000 1.050 278 K CA 1.540 57.869 56.287 0.071 0.000 0.929 278 K CB -0.356 32.191 32.500 0.078 0.000 0.714 278 K HN 0.359 nan 8.250 nan 0.000 0.443 279 A N 0.711 123.596 122.820 0.108 0.000 2.015 279 A HA 0.008 4.328 4.320 -0.000 0.000 0.219 279 A C 2.223 179.915 177.584 0.181 0.000 1.163 279 A CA 1.534 53.646 52.037 0.124 0.000 0.646 279 A CB -0.502 18.561 19.000 0.105 0.000 0.806 279 A HN 0.500 nan 8.150 nan 0.000 0.448 280 A N -0.084 122.853 122.820 0.196 0.000 2.015 280 A HA 0.025 4.345 4.320 -0.000 0.000 0.219 280 A C 1.987 179.816 177.584 0.408 0.000 1.163 280 A CA 1.215 53.430 52.037 0.297 0.000 0.646 280 A CB -0.570 18.585 19.000 0.257 0.000 0.806 280 A HN 0.476 nan 8.150 nan 0.000 0.448 281 L N -0.981 120.388 121.223 0.243 0.000 2.261 281 L HA -0.168 4.172 4.340 -0.000 0.000 0.216 281 L C 2.485 179.610 176.870 0.425 0.000 1.114 281 L CA 0.931 55.909 54.840 0.230 0.000 0.777 281 L CB -0.301 41.761 42.059 0.007 0.000 0.910 281 L HN 0.412 nan 8.230 nan 0.000 0.440 282 A N -2.415 120.607 122.820 0.336 0.000 2.337 282 A HA 0.001 4.321 4.320 -0.000 0.000 0.227 282 A C 0.669 178.423 177.584 0.285 0.000 1.259 282 A CA -0.238 51.966 52.037 0.278 0.000 0.870 282 A CB -0.612 18.489 19.000 0.168 0.000 0.927 282 A HN 0.261 nan 8.150 nan 0.000 0.497 283 H N 0.889 120.167 119.070 0.347 0.000 2.803 283 H HA 0.122 4.678 4.556 -0.000 0.000 0.330 283 H C -1.728 173.700 175.328 0.166 0.000 1.057 283 H CA -1.360 54.825 56.048 0.229 0.000 1.458 283 H CB 1.315 31.188 29.762 0.185 0.000 1.470 283 H HN 0.047 nan 8.280 nan 0.000 0.560 284 P HA -0.209 nan 4.420 nan 0.000 0.217 284 P C 1.474 178.865 177.300 0.152 0.000 1.148 284 P CA 0.882 64.003 63.100 0.034 0.000 0.834 284 P CB -0.200 31.456 31.700 -0.074 0.000 0.783 285 F N -0.283 119.766 119.950 0.164 0.000 2.176 285 F HA -0.213 4.314 4.527 -0.000 0.000 0.301 285 F C 1.470 177.078 175.800 -0.321 0.000 1.071 285 F CA 1.537 59.436 58.000 -0.169 0.000 1.289 285 F CB -0.769 37.934 39.000 -0.495 0.000 1.028 285 F HN -0.164 nan 8.300 nan 0.000 0.494 286 F N 0.738 120.693 119.950 0.008 0.000 2.765 286 F HA 0.064 4.591 4.527 -0.000 0.000 0.302 286 F C 2.187 177.811 175.800 -0.293 0.000 1.111 286 F CA 0.261 58.097 58.000 -0.274 0.000 1.359 286 F CB -1.192 37.649 39.000 -0.266 0.000 1.097 286 F HN 0.138 nan 8.300 nan 0.000 0.577 287 Q N 0.740 120.512 119.800 -0.048 0.000 2.062 287 Q HA -0.251 4.089 4.340 -0.000 0.000 0.209 287 Q C 0.563 176.500 176.000 -0.104 0.000 0.996 287 Q CA 2.119 57.886 55.803 -0.058 0.000 0.859 287 Q CB -0.913 27.803 28.738 -0.036 0.000 0.920 287 Q HN 0.419 nan 8.270 nan 0.000 0.415 288 D N 0.925 121.245 120.400 -0.135 0.000 2.460 288 D HA 0.117 4.757 4.640 -0.000 0.000 0.229 288 D C 0.049 176.249 176.300 -0.166 0.000 1.170 288 D CA -0.409 53.512 54.000 -0.131 0.000 0.827 288 D CB 0.106 40.839 40.800 -0.112 0.000 0.973 288 D HN 0.116 nan 8.370 nan 0.000 0.496 289 V N 1.189 120.970 119.914 -0.222 0.000 2.655 289 V HA 0.392 4.512 4.120 -0.000 0.000 0.300 289 V C 0.386 176.368 176.094 -0.187 0.000 1.044 289 V CA 0.666 62.812 62.300 -0.255 0.000 1.095 289 V CB 0.912 32.453 31.823 -0.470 0.000 0.952 289 V HN 0.608 nan 8.190 nan 0.000 0.485 290 T N 3.345 117.822 114.554 -0.128 0.000 2.716 290 T HA 0.471 4.821 4.350 -0.000 0.000 0.286 290 T C -0.554 174.123 174.700 -0.039 0.000 1.052 290 T CA -0.812 61.244 62.100 -0.074 0.000 1.024 290 T CB 1.659 70.491 68.868 -0.060 0.000 1.349 290 T HN 0.666 nan 8.240 nan 0.000 0.525 291 K N 2.236 122.628 120.400 -0.014 0.000 2.606 291 K HA 0.363 4.683 4.320 -0.000 0.000 0.196 291 K C -2.394 174.203 176.600 -0.005 0.000 1.048 291 K CA -1.909 54.381 56.287 0.005 0.000 1.017 291 K CB 0.506 33.028 32.500 0.036 0.000 1.413 291 K HN 0.505 nan 8.250 nan 0.000 0.568 292 P HA 0.045 nan 4.420 nan 0.000 0.274 292 P C 0.007 177.303 177.300 -0.008 0.000 1.231 292 P CA -0.456 62.632 63.100 -0.020 0.000 0.790 292 P CB 1.086 32.764 31.700 -0.037 0.000 0.951 293 V N 4.116 124.039 119.914 0.015 0.000 2.740 293 V HA 0.074 4.194 4.120 -0.000 0.000 0.303 293 V C -1.633 174.496 176.094 0.058 0.000 1.054 293 V CA -1.060 61.260 62.300 0.033 0.000 1.106 293 V CB -0.241 31.600 31.823 0.031 0.000 0.957 293 V HN 0.648 nan 8.190 nan 0.000 0.486 294 P HA 0.001 nan 4.420 nan 0.000 0.264 294 P C 0.256 177.688 177.300 0.221 0.000 1.193 294 P CA 0.224 63.408 63.100 0.139 0.000 0.763 294 P CB 0.139 31.861 31.700 0.037 0.000 0.810 295 H N 2.400 121.591 119.070 0.201 0.000 2.567 295 H HA -0.021 4.535 4.556 -0.000 0.000 0.276 295 H C 1.271 176.692 175.328 0.155 0.000 1.016 295 H CA 0.286 56.415 56.048 0.135 0.000 1.186 295 H CB -0.179 29.642 29.762 0.098 0.000 1.351 295 H HN 0.212 nan 8.280 nan 0.000 0.605 296 L N -1.892 119.226 121.223 -0.175 0.000 2.848 296 L HA -0.387 3.953 4.340 -0.000 0.000 0.400 296 L C 0.815 177.352 176.870 -0.555 0.000 2.308 296 L CA 3.317 58.056 54.840 -0.169 0.000 2.916 296 L CB -1.598 40.414 42.059 -0.079 0.000 1.824 296 L HN 1.021 nan 8.230 nan 0.000 0.807 297 R N 0.000 119.905 120.500 -0.992 0.000 2.786 297 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 297 R CA 0.000 nan 56.100 nan 0.000 0.921 297 R CB 0.000 nan 30.300 nan 0.000 0.687 297 R HN 0.000 nan 8.270 nan 0.000 0.535