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 2zaf_1_D DATA FIRST_RESID 2 DATA SEQUENCE VDFKLSPSQL EARRHAQAFA NTVLTKASAE YSTQKDQLSR FQATRPFYRE DATA SEQUENCE AVRHGLIKAQ VPIPLGGTME SLVHESIILE ELFAVEPATS ITIVATALGL DATA SEQUENCE MPVILCDSPS LQEKFLKPFI SGEGEPLASL MHSEPNGTAN WLQKGGPGLQ DATA SEQUENCE TTARKVGNEW VISGEKLWPS NSGGWDYKGA DLACVVCRVS DDPSKPQDPN DATA SEQUENCE VDPATQIAVL LVTRETIANN KKDAYQILGE PELAGHITTS GPHTRFTEFH DATA SEQUENCE VPHENLLCTP GLKAQGLVET AFAMSAALVG AMAIGTARAA FEEALVFAKS DATA SEQUENCE DTRGGSKHII EHQSVADKLI DCKIRLETSR LLVWKAVTTL EDEALEWKVK DATA SEQUENCE LEMAMQTKIY TTDVAVECVI DAMKAVGMKS YAKDMSFPRL LNEVMCYPLF DATA SEQUENCE DGGNIGLKRR QMQRVMALED YEPWAATYGS 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 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.011 176.094 -0.138 0.000 1.182 2 V CA 0.000 62.224 62.300 -0.128 0.000 1.235 2 V CB 0.000 31.741 31.823 -0.138 0.000 1.184 3 D N 2.590 122.824 120.400 -0.276 0.000 2.886 3 D HA 0.579 5.219 4.640 -0.000 0.000 0.216 3 D C -0.742 175.381 176.300 -0.295 0.000 1.256 3 D CA -0.383 53.522 54.000 -0.159 0.000 0.844 3 D CB 1.668 42.436 40.800 -0.054 0.000 1.669 3 D HN 0.435 nan 8.370 nan 0.000 0.513 4 F N 1.066 121.067 119.950 0.086 0.000 2.678 4 F HA 0.361 4.888 4.527 -0.000 0.000 0.305 4 F C 1.024 176.914 175.800 0.150 0.000 1.090 4 F CA -0.481 57.611 58.000 0.155 0.000 1.272 4 F CB 0.445 39.540 39.000 0.158 0.000 1.060 4 F HN 0.012 nan 8.300 nan 0.000 0.576 5 K N 1.854 122.373 120.400 0.198 0.000 2.368 5 K HA 0.273 4.593 4.320 -0.000 0.000 0.282 5 K C -0.201 176.441 176.600 0.071 0.000 1.035 5 K CA -0.138 56.231 56.287 0.137 0.000 0.973 5 K CB 0.669 33.222 32.500 0.090 0.000 0.957 5 K HN 0.095 nan 8.250 nan 0.000 0.474 6 L N 3.500 124.764 121.223 0.069 0.000 2.360 6 L HA 0.062 4.402 4.340 -0.000 0.000 0.276 6 L C 0.860 177.717 176.870 -0.021 0.000 1.121 6 L CA -0.301 54.533 54.840 -0.011 0.000 0.845 6 L CB 0.841 42.907 42.059 0.012 0.000 1.143 6 L HN 0.766 nan 8.230 nan 0.000 0.452 7 S N 3.477 119.143 115.700 -0.056 0.000 2.608 7 S HA 0.228 4.697 4.470 -0.000 0.000 0.261 7 S C -1.775 172.812 174.600 -0.022 0.000 1.314 7 S CA -1.071 57.112 58.200 -0.028 0.000 0.992 7 S CB 0.881 64.069 63.200 -0.021 0.000 0.935 7 S HN 0.410 nan 8.310 nan 0.000 0.564 8 P HA -0.130 nan 4.420 nan 0.000 0.215 8 P C 1.909 179.220 177.300 0.018 0.000 1.157 8 P CA 1.916 65.024 63.100 0.014 0.000 0.868 8 P CB -0.309 31.404 31.700 0.021 0.000 0.788 9 S N -0.934 114.791 115.700 0.041 0.000 2.399 9 S HA -0.239 4.231 4.470 -0.000 0.000 0.231 9 S C 2.071 176.695 174.600 0.040 0.000 1.022 9 S CA 1.159 59.419 58.200 0.100 0.000 0.983 9 S CB -1.252 62.074 63.200 0.210 0.000 0.803 9 S HN 0.189 nan 8.310 nan 0.000 0.480 10 Q N 0.670 120.378 119.800 -0.154 0.000 2.123 10 Q HA 0.200 4.539 4.340 -0.000 0.000 0.199 10 Q C 2.205 178.122 176.000 -0.138 0.000 0.966 10 Q CA 1.234 56.807 55.803 -0.384 0.000 0.845 10 Q CB -0.334 28.120 28.738 -0.473 0.000 0.907 10 Q HN 0.541 nan 8.270 nan 0.000 0.439 11 L N 0.266 121.458 121.223 -0.053 0.000 2.141 11 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 11 L C 2.321 179.215 176.870 0.040 0.000 1.094 11 L CA 0.889 55.734 54.840 0.007 0.000 0.763 11 L CB -0.146 41.926 42.059 0.021 0.000 0.908 11 L HN 0.202 nan 8.230 nan 0.000 0.437 12 E N 0.672 120.898 120.200 0.044 0.000 2.107 12 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 12 E C 2.097 178.765 176.600 0.113 0.000 0.982 12 E CA 1.364 57.811 56.400 0.077 0.000 0.809 12 E CB -0.051 29.688 29.700 0.065 0.000 0.756 12 E HN 0.334 nan 8.360 nan 0.000 0.459 13 A N 0.881 123.756 122.820 0.092 0.000 1.930 13 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 13 A C 2.298 179.969 177.584 0.145 0.000 1.175 13 A CA 1.585 53.697 52.037 0.125 0.000 0.627 13 A CB -0.556 18.516 19.000 0.120 0.000 0.815 13 A HN 0.265 nan 8.150 nan 0.000 0.443 14 R N -0.537 120.024 120.500 0.102 0.000 2.062 14 R HA -0.121 4.219 4.340 -0.000 0.000 0.231 14 R C 2.498 178.872 176.300 0.123 0.000 1.136 14 R CA 1.428 57.595 56.100 0.112 0.000 0.948 14 R CB -0.365 29.991 30.300 0.093 0.000 0.845 14 R HN 0.504 nan 8.270 nan 0.000 0.430 15 R N -0.390 120.180 120.500 0.117 0.000 2.097 15 R HA -0.264 4.076 4.340 -0.000 0.000 0.236 15 R C 2.277 178.661 176.300 0.141 0.000 1.135 15 R CA 2.438 58.607 56.100 0.114 0.000 0.934 15 R CB -0.741 29.623 30.300 0.106 0.000 0.846 15 R HN 0.438 nan 8.270 nan 0.000 0.431 16 H N -0.166 118.957 119.070 0.089 0.000 2.289 16 H HA -0.123 4.433 4.556 -0.000 0.000 0.296 16 H C 1.825 177.229 175.328 0.126 0.000 1.091 16 H CA 2.661 58.774 56.048 0.109 0.000 1.274 16 H CB -0.276 29.544 29.762 0.097 0.000 1.364 16 H HN 0.424 nan 8.280 nan 0.000 0.490 17 A N 0.432 123.364 122.820 0.187 0.000 1.902 17 A HA -0.208 4.111 4.320 -0.000 0.000 0.217 17 A C 2.316 179.971 177.584 0.117 0.000 1.181 17 A CA 1.679 53.809 52.037 0.155 0.000 0.623 17 A CB -0.557 18.551 19.000 0.180 0.000 0.818 17 A HN 0.645 nan 8.150 nan 0.000 0.443 18 Q N -0.706 119.149 119.800 0.093 0.000 2.030 18 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 18 Q C 2.457 178.469 176.000 0.020 0.000 0.986 18 Q CA 1.653 57.491 55.803 0.059 0.000 0.843 18 Q CB -0.419 28.355 28.738 0.059 0.000 0.904 18 Q HN 0.679 nan 8.270 nan 0.000 0.420 19 A N 0.295 123.123 122.820 0.013 0.000 2.019 19 A HA -0.175 4.144 4.320 -0.000 0.000 0.219 19 A C 1.800 179.351 177.584 -0.055 0.000 1.164 19 A CA 1.009 53.037 52.037 -0.014 0.000 0.644 19 A CB -0.610 18.393 19.000 0.006 0.000 0.805 19 A HN 0.419 nan 8.150 nan 0.000 0.449 20 F N 0.833 120.637 119.950 -0.242 0.000 2.098 20 F HA 0.076 4.603 4.527 -0.000 0.000 0.294 20 F C 2.502 178.195 175.800 -0.178 0.000 1.107 20 F CA 1.024 58.829 58.000 -0.326 0.000 1.234 20 F CB -0.596 38.129 39.000 -0.458 0.000 1.002 20 F HN 0.229 nan 8.300 nan 0.000 0.472 21 A N 0.509 123.217 122.820 -0.187 0.000 1.908 21 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 21 A C 2.018 179.463 177.584 -0.232 0.000 1.181 21 A CA 2.239 54.139 52.037 -0.228 0.000 0.627 21 A CB -1.315 17.652 19.000 -0.054 0.000 0.818 21 A HN 0.641 nan 8.150 nan 0.000 0.445 22 N N -0.919 117.691 118.700 -0.151 0.000 2.106 22 N HA -0.126 4.614 4.740 -0.000 0.000 0.188 22 N C 1.833 177.264 175.510 -0.131 0.000 1.029 22 N CA 1.869 54.851 53.050 -0.113 0.000 0.848 22 N CB -0.196 38.255 38.487 -0.061 0.000 1.007 22 N HN 0.682 nan 8.380 nan 0.000 0.423 23 T N -2.587 111.877 114.554 -0.151 0.000 3.057 23 T HA 0.172 4.522 4.350 -0.000 0.000 0.254 23 T C 1.571 176.181 174.700 -0.149 0.000 1.094 23 T CA 0.218 62.250 62.100 -0.113 0.000 1.088 23 T CB 0.198 69.033 68.868 -0.055 0.000 0.934 23 T HN -0.094 nan 8.240 nan 0.000 0.497 24 V N 0.162 119.887 119.914 -0.315 0.000 2.950 24 V HA 0.284 4.404 4.120 -0.000 0.000 0.231 24 V C 2.195 178.129 176.094 -0.266 0.000 1.205 24 V CA 0.043 62.155 62.300 -0.313 0.000 1.239 24 V CB -0.237 31.200 31.823 -0.644 0.000 1.050 24 V HN 0.229 nan 8.190 nan 0.000 0.498 25 L N 1.569 122.501 121.223 -0.485 0.000 2.191 25 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 25 L C 2.662 179.360 176.870 -0.288 0.000 1.103 25 L CA 2.600 57.220 54.840 -0.368 0.000 0.769 25 L CB -1.356 40.507 42.059 -0.326 0.000 0.908 25 L HN 0.668 nan 8.230 nan 0.000 0.438 26 T N -4.605 109.817 114.554 -0.221 0.000 3.051 26 T HA -0.137 4.213 4.350 -0.000 0.000 0.269 26 T C 1.676 176.274 174.700 -0.170 0.000 1.127 26 T CA 0.859 62.857 62.100 -0.170 0.000 1.107 26 T CB -0.165 68.629 68.868 -0.125 0.000 0.898 26 T HN 0.271 nan 8.240 nan 0.000 0.517 27 K N 0.526 120.829 120.400 -0.162 0.000 2.361 27 K HA 0.521 4.841 4.320 -0.000 0.000 0.194 27 K C 2.512 178.985 176.600 -0.212 0.000 1.032 27 K CA 0.401 56.642 56.287 -0.076 0.000 1.048 27 K CB 0.034 32.599 32.500 0.109 0.000 0.842 27 K HN 0.334 nan 8.250 nan 0.000 0.526 28 A N 1.116 123.534 122.820 -0.669 0.000 1.883 28 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 28 A C 2.226 179.399 177.584 -0.685 0.000 1.186 28 A CA 2.184 53.541 52.037 -1.134 0.000 0.624 28 A CB -0.825 17.619 19.000 -0.925 0.000 0.822 28 A HN 0.253 nan 8.150 nan 0.000 0.444 29 S N -0.495 114.785 115.700 -0.700 0.000 2.383 29 S HA -0.099 4.371 4.470 -0.000 0.000 0.229 29 S C 2.151 176.308 174.600 -0.738 0.000 1.030 29 S CA 1.627 59.177 58.200 -1.083 0.000 1.002 29 S CB -0.503 62.377 63.200 -0.533 0.000 0.829 29 S HN 0.870 nan 8.310 nan 0.000 0.467 30 A N 1.287 123.881 122.820 -0.377 0.000 1.978 30 A HA -0.106 4.214 4.320 -0.000 0.000 0.220 30 A C 2.107 179.605 177.584 -0.143 0.000 1.170 30 A CA 1.641 53.556 52.037 -0.202 0.000 0.636 30 A CB -0.474 18.465 19.000 -0.102 0.000 0.810 30 A HN 0.569 nan 8.150 nan 0.000 0.448 31 E N -0.587 119.551 120.200 -0.103 0.000 2.021 31 E HA -0.131 4.219 4.350 -0.000 0.000 0.189 31 E C 2.007 178.627 176.600 0.034 0.000 0.980 31 E CA 1.710 58.131 56.400 0.035 0.000 0.803 31 E CB -0.848 28.995 29.700 0.237 0.000 0.766 31 E HN 0.954 nan 8.360 nan 0.000 0.449 32 Y N 0.306 120.639 120.300 0.055 0.000 2.314 32 Y HA 0.127 4.677 4.550 -0.000 0.000 0.293 32 Y C 2.377 178.294 175.900 0.029 0.000 1.129 32 Y CA 0.863 58.994 58.100 0.052 0.000 1.201 32 Y CB -0.553 37.940 38.460 0.055 0.000 0.999 32 Y HN -0.200 nan 8.280 nan 0.000 0.541 33 S N 0.587 116.234 115.700 -0.088 0.000 2.407 33 S HA -0.254 4.216 4.470 -0.000 0.000 0.235 33 S C 2.046 176.667 174.600 0.036 0.000 1.036 33 S CA 2.191 60.385 58.200 -0.012 0.000 1.013 33 S CB -0.798 62.317 63.200 -0.142 0.000 0.820 33 S HN 0.843 nan 8.310 nan 0.000 0.476 34 T N -0.948 113.621 114.554 0.025 0.000 3.055 34 T HA 0.072 4.422 4.350 -0.000 0.000 0.265 34 T C 0.716 175.450 174.700 0.057 0.000 1.111 34 T CA 0.206 62.325 62.100 0.031 0.000 1.118 34 T CB -0.071 68.808 68.868 0.017 0.000 0.909 34 T HN 0.092 nan 8.240 nan 0.000 0.501 35 Q N 1.839 121.696 119.800 0.094 0.000 2.354 35 Q HA 0.312 4.652 4.340 -0.000 0.000 0.244 35 Q C 0.961 177.012 176.000 0.084 0.000 0.969 35 Q CA 0.020 55.880 55.803 0.096 0.000 0.885 35 Q CB 1.352 30.167 28.738 0.128 0.000 1.241 35 Q HN 0.726 nan 8.270 nan 0.000 0.461 36 K N -0.354 120.088 120.400 0.070 0.000 2.358 36 K HA 0.128 4.448 4.320 -0.000 0.000 0.197 36 K C -0.131 176.506 176.600 0.060 0.000 1.025 36 K CA 0.137 56.459 56.287 0.058 0.000 1.104 36 K CB 0.549 33.076 32.500 0.046 0.000 0.855 36 K HN 0.532 nan 8.250 nan 0.000 0.531 37 D N -1.105 119.339 120.400 0.072 0.000 2.639 37 D HA 0.011 4.651 4.640 -0.000 0.000 0.271 37 D C 0.271 176.625 176.300 0.089 0.000 1.254 37 D CA -0.609 53.435 54.000 0.073 0.000 0.810 37 D CB 0.763 41.605 40.800 0.069 0.000 1.351 37 D HN -0.218 nan 8.370 nan 0.000 0.427 38 Q N -0.316 119.535 119.800 0.085 0.000 2.062 38 Q HA -0.150 4.189 4.340 -0.000 0.000 0.209 38 Q C 1.895 177.979 176.000 0.140 0.000 0.996 38 Q CA 1.697 57.556 55.803 0.093 0.000 0.859 38 Q CB -0.369 28.416 28.738 0.078 0.000 0.920 38 Q HN 0.580 nan 8.270 nan 0.000 0.415 39 L N 0.657 121.969 121.223 0.148 0.000 2.005 39 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 39 L C 2.244 179.215 176.870 0.168 0.000 1.072 39 L CA 1.972 56.915 54.840 0.173 0.000 0.744 39 L CB -0.791 41.327 42.059 0.098 0.000 0.895 39 L HN 0.036 nan 8.230 nan 0.000 0.433 40 S N -0.052 115.719 115.700 0.118 0.000 2.365 40 S HA -0.239 4.231 4.470 -0.000 0.000 0.225 40 S C 1.982 176.669 174.600 0.144 0.000 1.039 40 S CA 1.688 59.951 58.200 0.104 0.000 1.033 40 S CB -0.520 62.732 63.200 0.086 0.000 0.887 40 S HN 0.468 nan 8.310 nan 0.000 0.447 41 R N -0.028 120.571 120.500 0.164 0.000 2.083 41 R HA -0.089 4.251 4.340 -0.000 0.000 0.237 41 R C 2.134 178.581 176.300 0.244 0.000 1.137 41 R CA 1.591 57.804 56.100 0.188 0.000 0.951 41 R CB -0.556 29.816 30.300 0.119 0.000 0.851 41 R HN 0.417 nan 8.270 nan 0.000 0.434 42 F N 2.217 122.223 119.950 0.093 0.000 2.134 42 F HA -0.198 4.329 4.527 -0.000 0.000 0.299 42 F C 2.107 178.085 175.800 0.297 0.000 1.097 42 F CA 1.589 59.678 58.000 0.148 0.000 1.264 42 F CB -0.360 38.690 39.000 0.083 0.000 1.001 42 F HN -0.026 nan 8.300 nan 0.000 0.479 43 Q N -0.060 119.792 119.800 0.086 0.000 2.079 43 Q HA -0.090 4.250 4.340 -0.000 0.000 0.200 43 Q C 2.293 178.283 176.000 -0.017 0.000 0.974 43 Q CA 1.501 57.288 55.803 -0.026 0.000 0.840 43 Q CB -0.550 28.185 28.738 -0.005 0.000 0.898 43 Q HN 0.464 nan 8.270 nan 0.000 0.430 44 A N 0.008 122.884 122.820 0.093 0.000 2.272 44 A HA -0.129 4.191 4.320 -0.000 0.000 0.213 44 A C 1.820 179.578 177.584 0.290 0.000 1.183 44 A CA 1.347 53.475 52.037 0.153 0.000 0.719 44 A CB -0.383 18.739 19.000 0.203 0.000 0.771 44 A HN 0.246 nan 8.150 nan 0.000 0.484 45 T N -1.443 113.278 114.554 0.279 0.000 3.057 45 T HA 0.034 4.384 4.350 -0.000 0.000 0.254 45 T C 1.922 176.812 174.700 0.316 0.000 1.094 45 T CA 0.397 62.769 62.100 0.452 0.000 1.088 45 T CB -0.141 68.996 68.868 0.447 0.000 0.934 45 T HN 0.561 nan 8.240 nan 0.000 0.497 46 R N 1.307 121.708 120.500 -0.163 0.000 2.094 46 R HA -0.106 4.233 4.340 -0.000 0.000 0.239 46 R C -0.925 175.189 176.300 -0.309 0.000 1.137 46 R CA 1.714 57.388 56.100 -0.710 0.000 0.943 46 R CB -1.016 28.610 30.300 -1.122 0.000 0.850 46 R HN 0.272 nan 8.270 nan 0.000 0.433 47 P HA -0.150 nan 4.420 nan 0.000 0.217 47 P C 0.665 177.765 177.300 -0.333 0.000 1.148 47 P CA 1.457 64.322 63.100 -0.392 0.000 0.828 47 P CB -0.103 31.235 31.700 -0.603 0.000 0.783 48 F N -3.382 116.623 119.950 0.090 0.000 2.293 48 F HA -0.044 4.483 4.527 -0.000 0.000 0.297 48 F C 2.420 178.390 175.800 0.284 0.000 1.089 48 F CA 0.684 58.787 58.000 0.172 0.000 1.377 48 F CB -1.380 37.716 39.000 0.161 0.000 1.051 48 F HN -0.127 nan 8.300 nan 0.000 0.511 49 Y N 1.343 121.843 120.300 0.333 0.000 2.181 49 Y HA -0.258 4.292 4.550 -0.000 0.000 0.288 49 Y C 2.770 178.806 175.900 0.226 0.000 1.146 49 Y CA 1.707 60.011 58.100 0.341 0.000 1.164 49 Y CB -0.322 38.437 38.460 0.498 0.000 0.982 49 Y HN -0.088 nan 8.280 nan 0.000 0.515 50 R N 0.870 121.503 120.500 0.221 0.000 2.112 50 R HA -0.214 4.125 4.340 -0.000 0.000 0.242 50 R C 2.015 178.373 176.300 0.098 0.000 1.137 50 R CA 2.244 58.403 56.100 0.098 0.000 0.944 50 R CB -0.662 29.637 30.300 -0.003 0.000 0.857 50 R HN 0.240 nan 8.270 nan 0.000 0.435 51 E N 0.054 120.355 120.200 0.169 0.000 2.118 51 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 51 E C 1.884 178.685 176.600 0.335 0.000 0.992 51 E CA 1.553 58.144 56.400 0.319 0.000 0.804 51 E CB -0.491 29.467 29.700 0.429 0.000 0.741 51 E HN 0.519 nan 8.360 nan 0.000 0.458 52 A N 0.581 123.492 122.820 0.152 0.000 1.930 52 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 52 A C 2.567 180.036 177.584 -0.192 0.000 1.175 52 A CA 1.376 53.262 52.037 -0.251 0.000 0.627 52 A CB -0.444 18.417 19.000 -0.232 0.000 0.815 52 A HN 0.149 nan 8.150 nan 0.000 0.443 53 V N -0.225 119.606 119.914 -0.139 0.000 2.358 53 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 53 V C 2.534 178.623 176.094 -0.009 0.000 1.047 53 V CA 2.013 64.267 62.300 -0.077 0.000 1.035 53 V CB -0.817 30.987 31.823 -0.032 0.000 0.658 53 V HN 0.599 nan 8.190 nan 0.000 0.452 54 R N -0.627 119.892 120.500 0.030 0.000 2.159 54 R HA -0.180 4.160 4.340 -0.000 0.000 0.237 54 R C 1.909 178.173 176.300 -0.060 0.000 1.131 54 R CA 1.530 57.632 56.100 0.003 0.000 0.982 54 R CB -0.147 30.163 30.300 0.018 0.000 0.868 54 R HN 0.632 nan 8.270 nan 0.000 0.453 55 H N -1.803 117.248 119.070 -0.033 0.000 2.539 55 H HA 0.219 4.775 4.556 -0.000 0.000 0.269 55 H C 0.894 176.221 175.328 -0.002 0.000 0.980 55 H CA 0.670 56.726 56.048 0.013 0.000 1.152 55 H CB 0.963 30.681 29.762 -0.074 0.000 1.407 55 H HN 0.442 nan 8.280 nan 0.000 0.564 56 G N 0.664 109.485 108.800 0.035 0.000 2.160 56 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.251 56 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.251 56 G C 0.997 175.886 174.900 -0.018 0.000 1.008 56 G CA 0.547 45.645 45.100 -0.003 0.000 0.724 56 G HN 0.449 nan 8.290 nan 0.000 0.514 57 L N -0.441 120.750 121.223 -0.053 0.000 2.240 57 L HA 0.046 4.386 4.340 -0.000 0.000 0.211 57 L C 2.697 179.544 176.870 -0.038 0.000 1.106 57 L CA 0.572 55.368 54.840 -0.074 0.000 0.793 57 L CB -0.338 41.600 42.059 -0.200 0.000 0.927 57 L HN 0.297 nan 8.230 nan 0.000 0.446 58 I N -0.045 120.504 120.570 -0.036 0.000 2.333 58 I HA -0.217 3.953 4.170 -0.000 0.000 0.246 58 I C 2.416 178.581 176.117 0.079 0.000 1.106 58 I CA 1.210 62.538 61.300 0.046 0.000 1.411 58 I CB -1.001 37.048 38.000 0.083 0.000 1.082 58 I HN 0.219 nan 8.210 nan 0.000 0.420 59 K N 1.424 121.858 120.400 0.057 0.000 2.218 59 K HA -0.126 4.194 4.320 -0.000 0.000 0.205 59 K C 1.889 178.502 176.600 0.022 0.000 1.046 59 K CA 1.451 57.769 56.287 0.050 0.000 0.933 59 K CB 0.018 32.534 32.500 0.026 0.000 0.728 59 K HN 0.289 nan 8.250 nan 0.000 0.454 60 A N 0.013 122.837 122.820 0.007 0.000 2.208 60 A HA -0.015 4.305 4.320 -0.000 0.000 0.209 60 A C 1.385 178.969 177.584 0.000 0.000 1.161 60 A CA 0.369 52.401 52.037 -0.008 0.000 0.782 60 A CB 0.020 19.012 19.000 -0.014 0.000 0.816 60 A HN 0.259 nan 8.150 nan 0.000 0.477 61 Q N -0.385 119.424 119.800 0.015 0.000 2.451 61 Q HA 0.121 4.461 4.340 -0.000 0.000 0.206 61 Q C -0.091 175.902 176.000 -0.011 0.000 0.947 61 Q CA 0.468 56.276 55.803 0.007 0.000 0.937 61 Q CB -0.099 28.648 28.738 0.015 0.000 1.025 61 Q HN 0.382 nan 8.270 nan 0.000 0.511 62 V N 2.829 122.741 119.914 -0.002 0.000 2.417 62 V HA 0.305 4.424 4.120 -0.000 0.000 0.291 62 V C -2.285 173.801 176.094 -0.014 0.000 1.024 62 V CA -2.214 60.083 62.300 -0.005 0.000 0.861 62 V CB 1.657 33.494 31.823 0.024 0.000 0.985 62 V HN -0.030 nan 8.190 nan 0.000 0.436 63 P HA 0.237 nan 4.420 nan 0.000 0.269 63 P C 1.094 178.379 177.300 -0.024 0.000 1.215 63 P CA 0.017 63.100 63.100 -0.029 0.000 0.780 63 P CB 0.845 32.529 31.700 -0.026 0.000 0.898 64 I N 2.855 123.404 120.570 -0.035 0.000 2.163 64 I HA -0.198 3.972 4.170 -0.000 0.000 0.243 64 I C -0.611 175.495 176.117 -0.018 0.000 1.085 64 I CA 1.792 63.074 61.300 -0.031 0.000 1.347 64 I CB -1.729 36.245 38.000 -0.043 0.000 1.044 64 I HN 0.430 nan 8.210 nan 0.000 0.408 65 P HA -0.161 nan 4.420 nan 0.000 0.221 65 P C 0.829 178.128 177.300 -0.002 0.000 1.141 65 P CA 1.234 64.329 63.100 -0.010 0.000 0.794 65 P CB 0.040 31.734 31.700 -0.011 0.000 0.764 66 L N -3.001 118.223 121.223 0.001 0.000 3.014 66 L HA 0.399 4.739 4.340 -0.000 0.000 0.263 66 L C 1.286 178.167 176.870 0.018 0.000 1.207 66 L CA 0.556 55.403 54.840 0.013 0.000 1.017 66 L CB -0.977 41.093 42.059 0.017 0.000 1.360 66 L HN 0.115 nan 8.230 nan 0.000 0.560 67 G N 0.294 109.099 108.800 0.009 0.000 2.198 67 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.257 67 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.257 67 G C 0.603 175.510 174.900 0.012 0.000 1.042 67 G CA 0.235 45.340 45.100 0.009 0.000 0.791 67 G HN 0.587 nan 8.290 nan 0.000 0.502 68 G N -1.638 107.165 108.800 0.005 0.000 2.642 68 G HA2 0.726 4.686 3.960 -0.000 0.000 0.291 68 G HA3 0.726 4.686 3.960 -0.000 0.000 0.291 68 G C 0.873 175.762 174.900 -0.017 0.000 1.345 68 G CA 0.727 45.830 45.100 0.005 0.000 1.043 68 G HN 0.994 nan 8.290 nan 0.000 0.528 69 T N -2.029 112.509 114.554 -0.026 0.000 3.085 69 T HA 0.286 4.636 4.350 -0.000 0.000 0.264 69 T C 1.010 175.664 174.700 -0.077 0.000 1.019 69 T CA -0.258 61.812 62.100 -0.050 0.000 0.910 69 T CB -0.026 68.811 68.868 -0.051 0.000 1.059 69 T HN 0.313 nan 8.240 nan 0.000 0.542 70 M N 2.778 122.338 119.600 -0.068 0.000 2.427 70 M HA 0.106 4.586 4.480 -0.000 0.000 0.345 70 M C 0.843 177.048 176.300 -0.159 0.000 1.653 70 M CA 0.458 55.703 55.300 -0.091 0.000 1.138 70 M CB 0.393 32.959 32.600 -0.057 0.000 1.995 70 M HN 0.253 nan 8.290 nan 0.000 0.459 71 E N 2.231 122.254 120.200 -0.294 0.000 2.086 71 E HA -0.005 4.345 4.350 -0.000 0.000 0.190 71 E C 0.335 176.681 176.600 -0.422 0.000 0.975 71 E CA 0.704 56.810 56.400 -0.490 0.000 0.813 71 E CB 0.272 29.355 29.700 -1.029 0.000 0.768 71 E HN 0.808 nan 8.360 nan 0.000 0.457 72 S N -1.187 114.314 115.700 -0.331 0.000 2.627 72 S HA 0.137 4.607 4.470 -0.000 0.000 0.268 72 S C -0.044 174.562 174.600 0.010 0.000 1.130 72 S CA -0.786 57.365 58.200 -0.080 0.000 0.819 72 S CB 0.634 63.847 63.200 0.020 0.000 1.100 72 S HN -0.029 nan 8.310 nan 0.000 0.465 73 L N 1.615 122.841 121.223 0.006 0.000 2.291 73 L HA 0.182 4.522 4.340 -0.000 0.000 0.214 73 L C 2.500 179.362 176.870 -0.012 0.000 1.120 73 L CA 1.203 56.049 54.840 0.009 0.000 0.799 73 L CB -1.216 40.848 42.059 0.008 0.000 0.925 73 L HN 0.728 nan 8.230 nan 0.000 0.446 74 V N -1.055 118.818 119.914 -0.068 0.000 2.307 74 V HA -0.293 3.827 4.120 -0.000 0.000 0.245 74 V C 2.443 178.421 176.094 -0.193 0.000 1.045 74 V CA 1.407 63.544 62.300 -0.272 0.000 1.024 74 V CB -0.599 30.937 31.823 -0.479 0.000 0.651 74 V HN 0.425 nan 8.190 nan 0.000 0.449 75 H N 0.121 119.092 119.070 -0.164 0.000 2.289 75 H HA -0.231 4.325 4.556 -0.000 0.000 0.294 75 H C 2.277 177.586 175.328 -0.031 0.000 1.095 75 H CA 2.186 58.181 56.048 -0.088 0.000 1.256 75 H CB -0.277 29.447 29.762 -0.062 0.000 1.359 75 H HN 0.444 nan 8.280 nan 0.000 0.487 76 E N 0.470 120.742 120.200 0.119 0.000 2.049 76 E HA -0.179 4.171 4.350 -0.000 0.000 0.198 76 E C 2.325 178.983 176.600 0.098 0.000 1.007 76 E CA 1.875 58.329 56.400 0.090 0.000 0.809 76 E CB -0.285 29.450 29.700 0.058 0.000 0.749 76 E HN 0.347 nan 8.360 nan 0.000 0.450 77 S N -0.154 115.598 115.700 0.087 0.000 2.370 77 S HA -0.155 4.315 4.470 -0.000 0.000 0.226 77 S C 2.034 176.749 174.600 0.192 0.000 1.033 77 S CA 1.374 59.663 58.200 0.147 0.000 1.011 77 S CB -0.404 62.925 63.200 0.215 0.000 0.852 77 S HN 0.303 nan 8.310 nan 0.000 0.457 78 I N 1.132 121.794 120.570 0.154 0.000 2.264 78 I HA -0.192 3.977 4.170 -0.000 0.000 0.248 78 I C 2.027 178.240 176.117 0.159 0.000 1.111 78 I CA 1.176 62.577 61.300 0.167 0.000 1.382 78 I CB -0.351 37.688 38.000 0.065 0.000 1.060 78 I HN 0.260 nan 8.210 nan 0.000 0.418 79 I N 0.174 120.833 120.570 0.147 0.000 2.193 79 I HA -0.273 3.897 4.170 -0.000 0.000 0.240 79 I C 2.393 178.632 176.117 0.205 0.000 1.084 79 I CA 1.353 62.752 61.300 0.165 0.000 1.365 79 I CB -0.267 37.824 38.000 0.151 0.000 1.064 79 I HN 0.166 nan 8.210 nan 0.000 0.410 80 L N 0.335 121.685 121.223 0.212 0.000 2.046 80 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 80 L C 2.605 179.675 176.870 0.333 0.000 1.077 80 L CA 1.471 56.489 54.840 0.298 0.000 0.747 80 L CB -0.738 41.436 42.059 0.192 0.000 0.896 80 L HN 0.353 nan 8.230 nan 0.000 0.432 81 E N 0.298 120.629 120.200 0.219 0.000 2.058 81 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 81 E C 2.042 178.776 176.600 0.223 0.000 0.997 81 E CA 1.391 57.909 56.400 0.198 0.000 0.801 81 E CB 0.172 29.970 29.700 0.163 0.000 0.746 81 E HN 0.386 nan 8.360 nan 0.000 0.450 82 E N 0.437 120.757 120.200 0.200 0.000 2.031 82 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 82 E C 2.231 178.929 176.600 0.164 0.000 0.994 82 E CA 0.560 57.058 56.400 0.164 0.000 0.800 82 E CB -0.449 29.338 29.700 0.146 0.000 0.752 82 E HN 0.236 nan 8.360 nan 0.000 0.447 83 L N 0.193 121.533 121.223 0.195 0.000 1.997 83 L HA -0.191 4.149 4.340 -0.000 0.000 0.216 83 L C 2.395 179.300 176.870 0.058 0.000 1.074 83 L CA 1.646 56.563 54.840 0.129 0.000 0.763 83 L CB -1.202 40.945 42.059 0.147 0.000 0.890 83 L HN 0.098 nan 8.230 nan 0.000 0.434 84 F N -0.851 119.166 119.950 0.112 0.000 2.407 84 F HA -0.060 4.467 4.527 -0.000 0.000 0.299 84 F C 2.294 178.145 175.800 0.085 0.000 1.097 84 F CA 0.771 58.839 58.000 0.113 0.000 1.422 84 F CB -0.666 38.410 39.000 0.127 0.000 1.067 84 F HN 0.075 nan 8.300 nan 0.000 0.539 85 A N -0.520 122.428 122.820 0.213 0.000 1.969 85 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 85 A C 2.188 179.809 177.584 0.061 0.000 1.169 85 A CA 1.933 54.048 52.037 0.130 0.000 0.635 85 A CB -0.797 18.271 19.000 0.114 0.000 0.810 85 A HN 0.188 nan 8.150 nan 0.000 0.445 86 V N -1.243 118.690 119.914 0.032 0.000 2.490 86 V HA 0.159 4.278 4.120 -0.000 0.000 0.238 86 V C 0.616 176.679 176.094 -0.051 0.000 1.056 86 V CA 1.290 63.577 62.300 -0.022 0.000 1.075 86 V CB -0.056 31.744 31.823 -0.039 0.000 0.746 86 V HN 0.609 nan 8.190 nan 0.000 0.479 87 E N -0.601 119.550 120.200 -0.081 0.000 2.367 87 E HA 0.305 4.654 4.350 -0.000 0.000 0.292 87 E C -2.583 173.888 176.600 -0.214 0.000 0.900 87 E CA -1.290 55.045 56.400 -0.108 0.000 0.807 87 E CB 2.046 31.683 29.700 -0.106 0.000 1.337 87 E HN 0.036 nan 8.360 nan 0.000 0.394 88 P HA 0.032 nan 4.420 nan 0.000 0.223 88 P C -0.129 177.063 177.300 -0.179 0.000 1.151 88 P CA 0.802 63.692 63.100 -0.350 0.000 0.787 88 P CB 0.212 31.949 31.700 0.061 0.000 0.788 89 A N -0.662 122.097 122.820 -0.101 0.000 2.498 89 A HA 0.229 4.549 4.320 -0.000 0.000 0.239 89 A C 1.387 178.993 177.584 0.038 0.000 1.068 89 A CA 1.209 53.217 52.037 -0.048 0.000 0.766 89 A CB -0.973 17.951 19.000 -0.128 0.000 1.003 89 A HN 0.220 nan 8.150 nan 0.000 0.497 90 T N 1.355 116.024 114.554 0.191 0.000 12.209 90 T HA -0.290 4.060 4.350 -0.000 0.000 0.417 90 T C 1.857 176.722 174.700 0.275 0.000 1.458 90 T CA 2.369 64.675 62.100 0.344 0.000 2.409 90 T CB -1.747 67.350 68.868 0.381 0.000 2.842 90 T HN 0.885 nan 8.240 nan 0.000 0.841 91 S N 0.449 116.187 115.700 0.064 0.000 2.400 91 S HA -0.013 4.457 4.470 -0.000 0.000 0.232 91 S C 1.782 176.451 174.600 0.114 0.000 1.025 91 S CA 1.508 59.665 58.200 -0.072 0.000 0.993 91 S CB -0.288 62.534 63.200 -0.630 0.000 0.808 91 S HN 0.558 nan 8.310 nan 0.000 0.478 92 I N 1.866 122.539 120.570 0.171 0.000 2.315 92 I HA -0.146 4.023 4.170 -0.000 0.000 0.248 92 I C 2.051 178.340 176.117 0.288 0.000 1.117 92 I CA 1.419 62.948 61.300 0.382 0.000 1.404 92 I CB -0.667 37.520 38.000 0.311 0.000 1.071 92 I HN 0.166 nan 8.210 nan 0.000 0.419 93 T N 1.095 115.819 114.554 0.283 0.000 2.788 93 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 93 T C 2.017 176.951 174.700 0.391 0.000 1.044 93 T CA 1.891 64.168 62.100 0.295 0.000 1.139 93 T CB -0.390 68.716 68.868 0.397 0.000 0.867 93 T HN 0.323 nan 8.240 nan 0.000 0.454 94 I N 1.744 122.574 120.570 0.433 0.000 2.208 94 I HA -0.184 3.986 4.170 -0.000 0.000 0.245 94 I C 2.711 178.975 176.117 0.245 0.000 1.097 94 I CA 1.328 62.836 61.300 0.347 0.000 1.363 94 I CB -0.662 37.480 38.000 0.236 0.000 1.051 94 I HN 0.208 nan 8.210 nan 0.000 0.413 95 V N -1.016 119.047 119.914 0.248 0.000 2.591 95 V HA -0.017 4.103 4.120 -0.000 0.000 0.249 95 V C 2.578 178.725 176.094 0.089 0.000 1.053 95 V CA 1.317 63.719 62.300 0.171 0.000 1.068 95 V CB -1.091 30.860 31.823 0.213 0.000 0.689 95 V HN 0.293 nan 8.190 nan 0.000 0.462 96 A N 0.970 123.855 122.820 0.109 0.000 1.898 96 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 96 A C 2.342 179.925 177.584 -0.000 0.000 1.181 96 A CA 2.545 54.602 52.037 0.034 0.000 0.620 96 A CB -1.321 17.700 19.000 0.036 0.000 0.819 96 A HN 0.542 nan 8.150 nan 0.000 0.442 97 T N 0.213 114.804 114.554 0.061 0.000 2.867 97 T HA 0.026 4.376 4.350 -0.000 0.000 0.268 97 T C 2.140 176.800 174.700 -0.067 0.000 1.057 97 T CA 1.367 63.487 62.100 0.033 0.000 1.136 97 T CB -0.331 68.667 68.868 0.217 0.000 0.874 97 T HN 0.578 nan 8.240 nan 0.000 0.466 98 A N 1.085 123.894 122.820 -0.018 0.000 1.930 98 A HA 0.118 4.438 4.320 -0.000 0.000 0.217 98 A C 2.267 179.778 177.584 -0.121 0.000 1.175 98 A CA 0.794 52.793 52.037 -0.063 0.000 0.627 98 A CB -0.717 18.277 19.000 -0.009 0.000 0.815 98 A HN 0.449 nan 8.150 nan 0.000 0.443 99 L N -0.528 120.616 121.223 -0.132 0.000 2.017 99 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 99 L C 2.612 179.341 176.870 -0.235 0.000 1.073 99 L CA 1.709 56.416 54.840 -0.221 0.000 0.745 99 L CB -0.909 40.987 42.059 -0.271 0.000 0.894 99 L HN 0.470 nan 8.230 nan 0.000 0.432 100 G N 0.172 108.858 108.800 -0.191 0.000 2.469 100 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.219 100 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.219 100 G C 1.508 176.280 174.900 -0.214 0.000 1.150 100 G CA 0.880 45.872 45.100 -0.181 0.000 0.763 100 G HN 0.412 nan 8.290 nan 0.000 0.561 101 L N -0.255 120.809 121.223 -0.264 0.000 2.362 101 L HA 0.067 4.406 4.340 -0.000 0.000 0.219 101 L C 2.931 179.692 176.870 -0.182 0.000 1.134 101 L CA 0.274 54.955 54.840 -0.265 0.000 0.807 101 L CB -0.423 41.447 42.059 -0.316 0.000 0.927 101 L HN 0.215 nan 8.230 nan 0.000 0.447 102 M N 0.201 119.694 119.600 -0.179 0.000 2.108 102 M HA -0.150 4.330 4.480 -0.000 0.000 0.261 102 M C -0.325 175.897 176.300 -0.131 0.000 1.066 102 M CA 2.282 57.491 55.300 -0.151 0.000 1.107 102 M CB -1.112 31.384 32.600 -0.175 0.000 1.356 102 M HN 0.134 nan 8.290 nan 0.000 0.406 103 P HA -0.032 nan 4.420 nan 0.000 0.222 103 P C 1.492 178.727 177.300 -0.109 0.000 1.153 103 P CA 0.907 63.935 63.100 -0.120 0.000 0.798 103 P CB -0.043 31.584 31.700 -0.121 0.000 0.796 104 V N -0.008 119.836 119.914 -0.116 0.000 2.307 104 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 104 V C 2.356 178.417 176.094 -0.054 0.000 1.045 104 V CA 1.506 63.754 62.300 -0.087 0.000 1.024 104 V CB -1.100 30.677 31.823 -0.075 0.000 0.651 104 V HN 0.022 nan 8.190 nan 0.000 0.449 105 I N -0.348 120.185 120.570 -0.062 0.000 2.315 105 I HA -0.277 3.893 4.170 -0.000 0.000 0.251 105 I C 2.093 178.183 176.117 -0.045 0.000 1.125 105 I CA 1.684 62.957 61.300 -0.046 0.000 1.392 105 I CB -0.176 37.790 38.000 -0.056 0.000 1.065 105 I HN 0.276 nan 8.210 nan 0.000 0.424 106 L N -0.035 121.151 121.223 -0.062 0.000 2.477 106 L HA 0.045 4.385 4.340 -0.000 0.000 0.220 106 L C 1.606 178.437 176.870 -0.065 0.000 1.106 106 L CA -0.404 54.396 54.840 -0.066 0.000 0.851 106 L CB -0.257 41.751 42.059 -0.085 0.000 0.994 106 L HN 0.449 nan 8.230 nan 0.000 0.462 107 C N -0.378 118.886 119.300 -0.060 0.000 2.705 107 C HA 0.092 4.552 4.460 -0.000 0.000 0.365 107 C C 1.497 176.465 174.990 -0.037 0.000 1.353 107 C CA -0.471 58.515 59.018 -0.055 0.000 2.339 107 C CB 0.261 27.968 27.740 -0.055 0.000 2.576 107 C HN 0.556 nan 8.230 nan 0.000 0.716 108 D N 0.098 120.479 120.400 -0.032 0.000 2.319 108 D HA 0.089 4.728 4.640 -0.000 0.000 0.230 108 D C 0.457 176.753 176.300 -0.006 0.000 1.094 108 D CA 0.381 54.369 54.000 -0.020 0.000 0.856 108 D CB -0.437 40.351 40.800 -0.021 0.000 0.915 108 D HN 0.567 nan 8.370 nan 0.000 0.517 109 S N 0.572 116.272 115.700 -0.000 0.000 2.516 109 S HA 0.382 4.852 4.470 -0.000 0.000 0.268 109 S C -1.937 172.681 174.600 0.029 0.000 1.251 109 S CA -1.425 56.784 58.200 0.015 0.000 1.153 109 S CB 1.297 64.508 63.200 0.018 0.000 1.009 109 S HN -0.255 nan 8.310 nan 0.000 0.479 110 P HA -0.133 nan 4.420 nan 0.000 0.217 110 P C 1.443 178.768 177.300 0.042 0.000 1.148 110 P CA 1.250 64.368 63.100 0.029 0.000 0.828 110 P CB 0.013 31.725 31.700 0.020 0.000 0.783 111 S N -1.683 114.044 115.700 0.045 0.000 2.436 111 S HA -0.051 4.419 4.470 -0.000 0.000 0.228 111 S C 1.782 176.432 174.600 0.084 0.000 1.014 111 S CA 0.522 58.751 58.200 0.048 0.000 0.950 111 S CB -1.191 62.032 63.200 0.039 0.000 0.784 111 S HN -0.019 nan 8.310 nan 0.000 0.504 112 L N 1.984 123.281 121.223 0.123 0.000 2.044 112 L HA 0.040 4.380 4.340 -0.000 0.000 0.205 112 L C 2.672 179.713 176.870 0.286 0.000 1.075 112 L CA 1.643 56.631 54.840 0.247 0.000 0.747 112 L CB -1.152 41.007 42.059 0.168 0.000 0.903 112 L HN 0.300 nan 8.230 nan 0.000 0.435 113 Q N -0.826 119.066 119.800 0.154 0.000 2.029 113 Q HA -0.288 4.052 4.340 -0.000 0.000 0.209 113 Q C 2.140 178.215 176.000 0.126 0.000 0.999 113 Q CA 1.943 57.821 55.803 0.125 0.000 0.857 113 Q CB -0.430 28.346 28.738 0.065 0.000 0.926 113 Q HN 0.435 nan 8.270 nan 0.000 0.415 114 E N 1.310 121.559 120.200 0.083 0.000 2.049 114 E HA -0.251 4.099 4.350 -0.000 0.000 0.198 114 E C 1.905 178.525 176.600 0.033 0.000 1.007 114 E CA 1.533 57.963 56.400 0.051 0.000 0.809 114 E CB -0.084 29.632 29.700 0.027 0.000 0.749 114 E HN 0.239 nan 8.360 nan 0.000 0.450 115 K N -0.985 119.415 120.400 -0.000 0.000 2.002 115 K HA -0.139 4.180 4.320 -0.000 0.000 0.209 115 K C 2.191 178.668 176.600 -0.204 0.000 1.048 115 K CA 1.594 57.778 56.287 -0.172 0.000 0.930 115 K CB -0.231 32.055 32.500 -0.357 0.000 0.714 115 K HN 0.057 nan 8.250 nan 0.000 0.438 116 F N 0.595 120.592 119.950 0.078 0.000 2.530 116 F HA 0.117 4.644 4.527 -0.000 0.000 0.292 116 F C 1.787 177.718 175.800 0.219 0.000 1.109 116 F CA 0.324 58.399 58.000 0.125 0.000 1.450 116 F CB 0.132 39.190 39.000 0.096 0.000 1.114 116 F HN -0.057 nan 8.300 nan 0.000 0.560 117 L N -0.307 121.117 121.223 0.336 0.000 2.313 117 L HA -0.118 4.222 4.340 -0.000 0.000 0.214 117 L C 2.434 179.499 176.870 0.325 0.000 1.119 117 L CA 0.725 55.773 54.840 0.347 0.000 0.809 117 L CB -0.520 41.656 42.059 0.194 0.000 0.933 117 L HN 0.064 nan 8.230 nan 0.000 0.449 118 K N 0.794 121.297 120.400 0.171 0.000 2.077 118 K HA -0.228 4.092 4.320 -0.000 0.000 0.213 118 K C -0.507 176.118 176.600 0.042 0.000 1.051 118 K CA 2.117 58.452 56.287 0.079 0.000 0.929 118 K CB -0.829 31.681 32.500 0.016 0.000 0.715 118 K HN 0.247 nan 8.250 nan 0.000 0.451 119 P HA -0.088 nan 4.420 nan 0.000 0.221 119 P C 0.768 177.936 177.300 -0.220 0.000 1.150 119 P CA 1.155 64.132 63.100 -0.205 0.000 0.800 119 P CB -0.028 31.427 31.700 -0.409 0.000 0.787 120 F N -0.158 119.844 119.950 0.086 0.000 2.367 120 F HA 0.078 4.605 4.527 -0.000 0.000 0.298 120 F C 2.020 177.855 175.800 0.058 0.000 1.094 120 F CA 0.595 58.649 58.000 0.090 0.000 1.409 120 F CB -0.937 38.121 39.000 0.097 0.000 1.064 120 F HN -0.136 nan 8.300 nan 0.000 0.528 121 I N -1.900 118.786 120.570 0.193 0.000 3.812 121 I HA 0.129 4.299 4.170 -0.000 0.000 0.320 121 I C 1.884 178.036 176.117 0.058 0.000 1.276 121 I CA 0.606 61.971 61.300 0.109 0.000 1.164 121 I CB -0.481 37.571 38.000 0.087 0.000 1.009 121 I HN 0.083 nan 8.210 nan 0.000 0.431 122 S N 1.181 116.908 115.700 0.044 0.000 2.425 122 S HA 0.176 4.646 4.470 -0.000 0.000 0.225 122 S C 1.855 176.462 174.600 0.011 0.000 1.024 122 S CA 0.790 58.999 58.200 0.015 0.000 0.951 122 S CB -0.421 62.775 63.200 -0.006 0.000 0.796 122 S HN 0.828 nan 8.310 nan 0.000 0.498 123 G N 1.184 109.995 108.800 0.019 0.000 2.141 123 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.242 123 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.242 123 G C -0.193 174.710 174.900 0.006 0.000 0.982 123 G CA 0.412 45.518 45.100 0.010 0.000 0.662 123 G HN 0.912 nan 8.290 nan 0.000 0.527 124 E N 0.366 120.570 120.200 0.008 0.000 2.359 124 E HA 0.621 4.971 4.350 -0.000 0.000 0.266 124 E C 0.845 177.457 176.600 0.020 0.000 0.920 124 E CA 0.593 56.996 56.400 0.005 0.000 0.788 124 E CB 1.423 31.119 29.700 -0.006 0.000 1.279 124 E HN 1.745 nan 8.360 nan 0.000 0.438 125 G N 2.181 110.994 108.800 0.022 0.000 2.641 125 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.254 125 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.254 125 G C -0.681 174.294 174.900 0.124 0.000 1.315 125 G CA 0.400 45.526 45.100 0.042 0.000 0.907 125 G HN 0.550 nan 8.290 nan 0.000 0.572 126 E N 1.421 121.736 120.200 0.191 0.000 3.786 126 E HA 0.380 4.730 4.350 -0.000 0.000 0.215 126 E C -2.355 174.555 176.600 0.517 0.000 1.188 126 E CA -1.255 55.422 56.400 0.460 0.000 1.248 126 E CB 1.322 31.227 29.700 0.341 0.000 1.260 126 E HN 0.481 nan 8.360 nan 0.000 0.426 127 P HA 0.030 nan 4.420 nan 0.000 0.271 127 P C -0.473 177.079 177.300 0.420 0.000 1.233 127 P CA 0.113 63.298 63.100 0.142 0.000 0.764 127 P CB 0.856 32.314 31.700 -0.404 0.000 0.825 128 L N 2.870 124.266 121.223 0.289 0.000 2.309 128 L HA 0.725 5.065 4.340 -0.000 0.000 0.282 128 L C 0.640 177.754 176.870 0.406 0.000 1.036 128 L CA -0.712 54.258 54.840 0.216 0.000 0.806 128 L CB 1.674 43.640 42.059 -0.155 0.000 1.220 128 L HN 0.397 nan 8.230 nan 0.000 0.429 129 A N 2.092 125.078 122.820 0.278 0.000 2.435 129 A HA 0.884 5.204 4.320 -0.000 0.000 0.296 129 A C -0.798 176.792 177.584 0.009 0.000 1.147 129 A CA -0.556 51.544 52.037 0.104 0.000 0.775 129 A CB 2.125 21.003 19.000 -0.203 0.000 1.340 129 A HN 0.514 nan 8.150 nan 0.000 0.427 130 S N -0.567 115.124 115.700 -0.015 0.000 2.570 130 S HA 0.445 4.915 4.470 -0.000 0.000 0.286 130 S C -2.109 172.468 174.600 -0.039 0.000 1.143 130 S CA -0.469 57.716 58.200 -0.024 0.000 0.921 130 S CB 1.084 64.291 63.200 0.012 0.000 1.108 130 S HN 1.606 nan 8.310 nan 0.000 0.456 131 L N 6.026 127.206 121.223 -0.071 0.000 2.264 131 L HA 0.623 4.962 4.340 -0.000 0.000 0.287 131 L C -0.651 176.232 176.870 0.021 0.000 1.039 131 L CA 0.034 54.829 54.840 -0.075 0.000 0.829 131 L CB 0.225 42.157 42.059 -0.211 0.000 1.211 131 L HN 0.789 nan 8.230 nan 0.000 0.427 132 M N 5.483 125.113 119.600 0.051 0.000 2.261 132 M HA 0.195 4.675 4.480 -0.000 0.000 0.349 132 M C 0.530 176.898 176.300 0.112 0.000 1.305 132 M CA 0.006 55.359 55.300 0.089 0.000 1.240 132 M CB 0.351 33.006 32.600 0.091 0.000 1.394 132 M HN 0.673 nan 8.290 nan 0.000 0.438 133 H N 0.328 119.415 119.070 0.027 0.000 2.408 133 H HA 0.265 4.821 4.556 -0.000 0.000 0.271 133 H C 0.131 175.404 175.328 -0.091 0.000 0.957 133 H CA 0.187 56.191 56.048 -0.074 0.000 1.170 133 H CB 0.862 30.565 29.762 -0.099 0.000 1.458 133 H HN 0.474 nan 8.280 nan 0.000 0.491 134 S N 1.519 117.251 115.700 0.053 0.000 2.572 134 S HA 0.144 4.614 4.470 -0.000 0.000 0.279 134 S C -0.098 174.529 174.600 0.045 0.000 1.341 134 S CA -0.058 58.180 58.200 0.063 0.000 1.043 134 S CB 1.370 64.736 63.200 0.277 0.000 0.887 134 S HN 0.357 nan 8.310 nan 0.000 0.516 135 E N 1.251 121.471 120.200 0.033 0.000 2.392 135 E HA 0.264 4.614 4.350 -0.000 0.000 0.269 135 E C -2.128 174.465 176.600 -0.011 0.000 0.924 135 E CA -2.236 54.155 56.400 -0.016 0.000 0.784 135 E CB 1.158 30.834 29.700 -0.040 0.000 1.292 135 E HN 0.184 nan 8.360 nan 0.000 0.447 136 P HA -0.105 nan 4.420 nan 0.000 0.218 136 P C 0.171 177.457 177.300 -0.023 0.000 1.149 136 P CA 1.341 64.366 63.100 -0.126 0.000 0.817 136 P CB 0.114 31.724 31.700 -0.149 0.000 0.785 137 N N -0.844 117.855 118.700 -0.000 0.000 2.314 137 N HA 0.226 4.965 4.740 -0.000 0.000 0.200 137 N C 0.741 176.272 175.510 0.036 0.000 1.135 137 N CA 0.111 53.172 53.050 0.018 0.000 0.835 137 N CB 0.070 38.566 38.487 0.015 0.000 0.989 137 N HN 0.086 nan 8.380 nan 0.000 0.478 138 G N 0.877 109.709 108.800 0.053 0.000 2.855 138 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.352 138 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.352 138 G C 0.358 175.272 174.900 0.023 0.000 1.415 138 G CA 0.152 45.286 45.100 0.057 0.000 0.871 138 G HN 0.261 nan 8.290 nan 0.000 0.543 139 T N -3.736 110.826 114.554 0.012 0.000 3.186 139 T HA 0.593 4.943 4.350 -0.000 0.000 0.292 139 T C 2.092 176.865 174.700 0.122 0.000 0.915 139 T CA 1.304 63.415 62.100 0.018 0.000 0.902 139 T CB 0.372 69.137 68.868 -0.173 0.000 1.192 139 T HN 2.095 nan 8.240 nan 0.000 0.563 140 A N 2.565 125.432 122.820 0.079 0.000 2.084 140 A HA -0.069 4.251 4.320 -0.000 0.000 0.221 140 A C 1.596 179.279 177.584 0.165 0.000 1.161 140 A CA 1.610 53.707 52.037 0.101 0.000 0.653 140 A CB -0.756 18.269 19.000 0.041 0.000 0.802 140 A HN 0.661 nan 8.150 nan 0.000 0.457 141 N N -0.821 117.979 118.700 0.167 0.000 2.204 141 N HA 0.063 4.803 4.740 -0.000 0.000 0.219 141 N C 1.001 176.599 175.510 0.148 0.000 1.151 141 N CA 0.149 53.271 53.050 0.121 0.000 0.867 141 N CB 0.115 38.639 38.487 0.061 0.000 1.043 141 N HN 0.806 nan 8.380 nan 0.000 0.516 142 W N 0.565 121.858 121.300 -0.012 0.000 2.359 142 W HA -0.069 4.591 4.660 -0.000 0.000 0.275 142 W C -0.094 176.422 176.519 -0.004 0.000 1.217 142 W CA 0.542 57.878 57.345 -0.014 0.000 1.196 142 W CB -0.747 28.705 29.460 -0.015 0.000 1.129 142 W HN 0.115 nan 8.180 nan 0.000 0.566 143 L N 0.883 121.832 121.223 -0.456 0.000 2.857 143 L HA 0.226 4.565 4.340 -0.000 0.000 0.249 143 L C 1.177 177.903 176.870 -0.240 0.000 1.172 143 L CA -0.142 54.390 54.840 -0.513 0.000 0.980 143 L CB -0.379 41.224 42.059 -0.759 0.000 1.299 143 L HN -0.147 nan 8.230 nan 0.000 0.535 144 Q N 2.802 122.523 119.800 -0.131 0.000 2.262 144 Q HA 0.008 4.348 4.340 -0.000 0.000 0.272 144 Q C 0.071 176.029 176.000 -0.070 0.000 1.076 144 Q CA 0.114 55.871 55.803 -0.077 0.000 0.905 144 Q CB 0.691 29.408 28.738 -0.035 0.000 1.182 144 Q HN 0.104 nan 8.270 nan 0.000 0.390 145 K N 3.039 123.398 120.400 -0.069 0.000 2.419 145 K HA 0.088 4.408 4.320 -0.000 0.000 0.282 145 K C 0.440 177.019 176.600 -0.036 0.000 1.056 145 K CA 1.085 57.339 56.287 -0.054 0.000 1.035 145 K CB -0.117 32.352 32.500 -0.051 0.000 0.921 145 K HN 0.919 nan 8.250 nan 0.000 0.472 146 G N 2.491 111.274 108.800 -0.028 0.000 2.192 146 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.193 146 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.193 146 G C 0.220 175.113 174.900 -0.011 0.000 0.999 146 G CA -0.356 44.734 45.100 -0.018 0.000 0.659 146 G HN 0.907 nan 8.290 nan 0.000 0.503 147 G N -0.049 108.743 108.800 -0.013 0.000 2.461 147 G HA2 0.684 4.644 3.960 -0.000 0.000 0.329 147 G HA3 0.684 4.644 3.960 -0.000 0.000 0.329 147 G C -0.562 174.341 174.900 0.005 0.000 1.170 147 G CA -0.605 44.494 45.100 -0.002 0.000 0.935 147 G HN 0.003 nan 8.290 nan 0.000 0.492 148 P HA -0.006 nan 4.420 nan 0.000 0.229 148 P C 1.373 178.689 177.300 0.026 0.000 1.150 148 P CA 1.276 64.387 63.100 0.018 0.000 0.765 148 P CB -0.169 31.544 31.700 0.020 0.000 0.783 149 G N 0.421 109.240 108.800 0.032 0.000 2.682 149 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.256 149 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.256 149 G C -0.438 174.507 174.900 0.076 0.000 1.333 149 G CA -0.417 44.715 45.100 0.053 0.000 0.904 149 G HN 0.300 nan 8.290 nan 0.000 0.569 150 L N 0.423 121.709 121.223 0.104 0.000 2.485 150 L HA 0.149 4.489 4.340 -0.000 0.000 0.275 150 L C 1.586 178.476 176.870 0.033 0.000 1.207 150 L CA 0.079 54.956 54.840 0.063 0.000 0.855 150 L CB 0.648 42.743 42.059 0.060 0.000 1.114 150 L HN 0.538 nan 8.230 nan 0.000 0.485 151 Q N 1.100 120.909 119.800 0.015 0.000 2.246 151 Q HA 0.139 4.479 4.340 -0.000 0.000 0.202 151 Q C -0.228 175.782 176.000 0.018 0.000 0.883 151 Q CA 0.159 55.973 55.803 0.018 0.000 0.952 151 Q CB 0.433 29.181 28.738 0.018 0.000 1.078 151 Q HN 0.586 nan 8.270 nan 0.000 0.493 152 T N 2.300 116.856 114.554 0.004 0.000 2.801 152 T HA 0.337 4.687 4.350 -0.000 0.000 0.306 152 T C 0.001 174.693 174.700 -0.014 0.000 1.020 152 T CA -0.291 61.807 62.100 -0.002 0.000 0.948 152 T CB 0.961 69.820 68.868 -0.015 0.000 0.962 152 T HN 0.184 nan 8.240 nan 0.000 0.465 153 T N 0.440 114.996 114.554 0.003 0.000 2.885 153 T HA 0.852 5.202 4.350 -0.000 0.000 0.285 153 T C -0.465 174.254 174.700 0.033 0.000 1.019 153 T CA -1.025 61.088 62.100 0.023 0.000 1.010 153 T CB 1.925 70.819 68.868 0.042 0.000 1.022 153 T HN 0.547 nan 8.240 nan 0.000 0.466 154 A N 2.805 125.670 122.820 0.074 0.000 2.365 154 A HA 0.863 5.183 4.320 -0.000 0.000 0.318 154 A C 0.025 177.784 177.584 0.291 0.000 1.091 154 A CA -1.263 50.877 52.037 0.173 0.000 0.763 154 A CB 1.195 20.282 19.000 0.144 0.000 1.248 154 A HN 1.118 nan 8.150 nan 0.000 0.442 155 R N 1.276 121.942 120.500 0.277 0.000 2.854 155 R HA 0.689 5.028 4.340 -0.000 0.000 0.271 155 R C -0.810 175.494 176.300 0.006 0.000 0.996 155 R CA -0.879 55.326 56.100 0.174 0.000 0.961 155 R CB 1.558 31.894 30.300 0.060 0.000 1.182 155 R HN 0.505 nan 8.270 nan 0.000 0.479 156 K N 1.447 121.643 120.400 -0.340 0.000 2.183 156 K HA 0.344 4.664 4.320 -0.000 0.000 0.274 156 K C -1.286 175.113 176.600 -0.335 0.000 1.009 156 K CA -0.653 55.223 56.287 -0.685 0.000 0.888 156 K CB 1.575 33.402 32.500 -1.121 0.000 1.078 156 K HN 0.427 nan 8.250 nan 0.000 0.459 157 V N 4.159 123.912 119.914 -0.267 0.000 2.439 157 V HA 0.351 4.471 4.120 -0.000 0.000 0.277 157 V C 0.555 176.583 176.094 -0.110 0.000 1.008 157 V CA -0.010 62.216 62.300 -0.125 0.000 0.846 157 V CB 0.476 32.289 31.823 -0.016 0.000 1.031 157 V HN 1.197 nan 8.190 nan 0.000 0.441 158 G N 4.347 113.069 108.800 -0.129 0.000 2.523 158 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.271 158 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.271 158 G C 0.501 175.309 174.900 -0.154 0.000 1.146 158 G CA 0.585 45.620 45.100 -0.109 0.000 0.961 158 G HN 0.708 nan 8.290 nan 0.000 0.549 159 N N 2.588 121.229 118.700 -0.098 0.000 2.467 159 N HA 0.237 4.977 4.740 -0.000 0.000 0.278 159 N C -0.215 175.308 175.510 0.022 0.000 1.306 159 N CA 0.868 53.869 53.050 -0.082 0.000 0.905 159 N CB 0.105 38.572 38.487 -0.032 0.000 1.236 159 N HN 0.779 nan 8.380 nan 0.000 0.509 160 E N -0.851 119.344 120.200 -0.009 0.000 2.393 160 E HA 0.336 4.686 4.350 -0.000 0.000 0.273 160 E C -1.388 175.229 176.600 0.029 0.000 0.918 160 E CA -0.953 55.516 56.400 0.116 0.000 0.773 160 E CB 0.863 30.670 29.700 0.179 0.000 1.275 160 E HN -0.006 nan 8.360 nan 0.000 0.451 161 W N 1.008 122.379 121.300 0.117 0.000 2.496 161 W HA 0.517 5.177 4.660 -0.000 0.000 0.327 161 W C -0.815 175.712 176.519 0.012 0.000 1.086 161 W CA -0.589 56.799 57.345 0.071 0.000 1.222 161 W CB 1.757 31.260 29.460 0.072 0.000 1.304 161 W HN 0.245 nan 8.180 nan 0.000 0.547 162 V N 5.006 125.033 119.914 0.188 0.000 2.417 162 V HA 0.412 4.532 4.120 -0.000 0.000 0.291 162 V C -0.140 176.013 176.094 0.098 0.000 1.024 162 V CA -1.017 61.287 62.300 0.008 0.000 0.861 162 V CB 1.041 32.777 31.823 -0.144 0.000 0.985 162 V HN 0.347 nan 8.190 nan 0.000 0.436 163 I N 3.273 123.903 120.570 0.100 0.000 2.392 163 I HA 0.522 4.692 4.170 -0.000 0.000 0.295 163 I C 0.244 176.412 176.117 0.084 0.000 0.985 163 I CA 0.237 61.555 61.300 0.029 0.000 1.221 163 I CB 1.882 39.755 38.000 -0.212 0.000 1.366 163 I HN 0.555 nan 8.210 nan 0.000 0.467 164 S N 2.994 118.731 115.700 0.062 0.000 2.557 164 S HA 0.911 5.381 4.470 -0.000 0.000 0.291 164 S C -0.136 174.517 174.600 0.089 0.000 1.116 164 S CA -0.455 57.804 58.200 0.099 0.000 0.992 164 S CB 1.973 65.216 63.200 0.072 0.000 1.028 164 S HN 1.083 nan 8.310 nan 0.000 0.484 165 G N 2.246 111.121 108.800 0.126 0.000 2.346 165 G HA2 0.194 4.153 3.960 -0.000 0.000 0.294 165 G HA3 0.194 4.153 3.960 -0.000 0.000 0.294 165 G C -2.186 172.786 174.900 0.121 0.000 1.294 165 G CA -0.910 44.248 45.100 0.097 0.000 0.962 165 G HN 0.572 nan 8.290 nan 0.000 0.508 166 E N 0.216 120.458 120.200 0.070 0.000 2.222 166 E HA 0.547 4.897 4.350 -0.000 0.000 0.267 166 E C -0.695 175.934 176.600 0.049 0.000 0.884 166 E CA -0.986 55.433 56.400 0.032 0.000 0.764 166 E CB 2.076 31.802 29.700 0.043 0.000 1.169 166 E HN 0.265 nan 8.360 nan 0.000 0.413 167 K N 2.280 122.696 120.400 0.026 0.000 2.203 167 K HA 0.555 4.875 4.320 -0.000 0.000 0.251 167 K C -0.783 175.787 176.600 -0.050 0.000 0.944 167 K CA -0.706 55.587 56.287 0.009 0.000 0.829 167 K CB 1.952 34.486 32.500 0.057 0.000 1.125 167 K HN 0.461 nan 8.250 nan 0.000 0.430 168 L N 1.801 122.948 121.223 -0.128 0.000 2.401 168 L HA 0.371 4.711 4.340 -0.000 0.000 0.266 168 L C -0.445 176.306 176.870 -0.198 0.000 0.991 168 L CA -0.236 54.363 54.840 -0.402 0.000 0.818 168 L CB 1.262 42.840 42.059 -0.801 0.000 1.321 168 L HN 0.904 nan 8.230 nan 0.000 0.413 169 W N 0.001 121.271 121.300 -0.050 0.000 0.609 169 W HA -0.198 4.462 4.660 -0.000 0.000 0.219 169 W C -1.896 174.611 176.519 -0.021 0.000 0.929 169 W CA -0.581 56.744 57.345 -0.032 0.000 0.339 169 W CB -1.908 27.541 29.460 -0.018 0.000 1.924 169 W HN 0.312 nan 8.180 nan 0.000 1.138 170 P HA 0.262 nan 4.420 nan 0.000 0.276 170 P C 0.171 177.504 177.300 0.055 0.000 1.253 170 P CA 0.625 63.802 63.100 0.127 0.000 0.766 170 P CB 1.307 33.067 31.700 0.099 0.000 0.845 171 S N 3.580 119.299 115.700 0.032 0.000 2.549 171 S HA 0.033 4.503 4.470 -0.000 0.000 0.286 171 S C 0.912 175.455 174.600 -0.095 0.000 1.314 171 S CA 0.182 58.351 58.200 -0.051 0.000 1.062 171 S CB -0.515 62.663 63.200 -0.036 0.000 0.865 171 S HN 0.536 nan 8.310 nan 0.000 0.498 172 N N 0.410 118.988 118.700 -0.204 0.000 2.936 172 N HA -0.204 4.535 4.740 -0.000 0.000 0.236 172 N C 1.282 176.766 175.510 -0.043 0.000 0.930 172 N CA 1.298 54.240 53.050 -0.179 0.000 0.966 172 N CB -1.959 36.441 38.487 -0.145 0.000 1.090 172 N HN 0.709 nan 8.380 nan 0.000 0.592 173 S N -0.636 115.064 115.700 -0.000 0.000 2.383 173 S HA -0.072 4.397 4.470 -0.000 0.000 0.229 173 S C 1.825 176.514 174.600 0.148 0.000 1.030 173 S CA 1.450 59.691 58.200 0.067 0.000 1.002 173 S CB -0.632 62.596 63.200 0.047 0.000 0.829 173 S HN 0.523 nan 8.310 nan 0.000 0.467 174 G N 0.629 109.537 108.800 0.179 0.000 3.181 174 G HA2 0.491 4.451 3.960 -0.000 0.000 0.219 174 G HA3 0.491 4.451 3.960 -0.000 0.000 0.219 174 G C 0.853 175.931 174.900 0.297 0.000 1.182 174 G CA 0.046 45.347 45.100 0.334 0.000 0.791 174 G HN 1.132 nan 8.290 nan 0.000 0.537 175 G N -0.785 108.101 108.800 0.142 0.000 2.740 175 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.250 175 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.250 175 G C 0.732 175.645 174.900 0.021 0.000 1.358 175 G CA 0.101 45.215 45.100 0.024 0.000 0.897 175 G HN 0.300 nan 8.290 nan 0.000 0.567 176 W N -0.088 121.250 121.300 0.064 0.000 2.421 176 W HA 0.151 4.811 4.660 -0.000 0.000 0.270 176 W C 2.032 178.485 176.519 -0.109 0.000 1.233 176 W CA 1.174 58.464 57.345 -0.092 0.000 1.226 176 W CB 0.076 29.435 29.460 -0.169 0.000 1.121 176 W HN 0.705 nan 8.180 nan 0.000 0.579 177 D N -3.575 116.916 120.400 0.151 0.000 2.620 177 D HA -0.049 4.591 4.640 -0.000 0.000 0.260 177 D C 0.125 176.504 176.300 0.133 0.000 1.367 177 D CA -0.769 53.272 54.000 0.069 0.000 0.805 177 D CB -1.111 39.751 40.800 0.103 0.000 1.096 177 D HN 0.088 nan 8.370 nan 0.000 0.488 178 Y N 0.704 121.098 120.300 0.156 0.000 4.705 178 Y HA -0.292 4.258 4.550 -0.000 0.000 0.226 178 Y C 0.970 176.985 175.900 0.192 0.000 1.039 178 Y CA 0.399 58.595 58.100 0.160 0.000 1.968 178 Y CB -2.342 36.188 38.460 0.117 0.000 1.614 178 Y HN 0.274 nan 8.280 nan 0.000 0.619 179 K N 0.477 121.041 120.400 0.273 0.000 2.404 179 K HA 0.432 4.752 4.320 -0.000 0.000 0.194 179 K C 1.237 177.874 176.600 0.061 0.000 1.023 179 K CA 0.607 56.983 56.287 0.149 0.000 1.094 179 K CB 0.313 32.878 32.500 0.107 0.000 0.841 179 K HN 0.445 nan 8.250 nan 0.000 0.523 180 G N 1.019 109.918 108.800 0.164 0.000 2.619 180 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.686 180 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.686 180 G C -0.593 174.378 174.900 0.119 0.000 1.256 180 G CA -0.705 44.475 45.100 0.134 0.000 0.826 180 G HN 0.226 nan 8.290 nan 0.000 0.619 181 A N -0.296 122.600 122.820 0.127 0.000 2.366 181 A HA 0.594 4.914 4.320 -0.000 0.000 0.250 181 A C 1.169 178.837 177.584 0.141 0.000 1.099 181 A CA 1.102 53.207 52.037 0.113 0.000 0.794 181 A CB 0.175 19.245 19.000 0.116 0.000 1.056 181 A HN 0.862 nan 8.150 nan 0.000 0.499 182 D N -1.359 119.148 120.400 0.177 0.000 2.277 182 D HA 0.240 4.880 4.640 -0.000 0.000 0.208 182 D C -0.147 176.320 176.300 0.278 0.000 0.962 182 D CA 0.898 55.004 54.000 0.177 0.000 0.865 182 D CB 0.081 40.928 40.800 0.078 0.000 0.939 182 D HN 0.236 nan 8.370 nan 0.000 0.510 183 L N -0.404 121.023 121.223 0.339 0.000 2.526 183 L HA 0.656 4.996 4.340 -0.000 0.000 0.263 183 L C -2.051 174.913 176.870 0.158 0.000 0.943 183 L CA -0.886 54.130 54.840 0.294 0.000 0.859 183 L CB 1.946 44.251 42.059 0.410 0.000 1.313 183 L HN -0.171 nan 8.230 nan 0.000 0.406 184 A N 3.956 126.831 122.820 0.092 0.000 2.569 184 A HA 0.582 4.902 4.320 -0.000 0.000 0.282 184 A C -0.779 176.801 177.584 -0.006 0.000 1.165 184 A CA -0.419 51.652 52.037 0.056 0.000 0.747 184 A CB 0.510 19.580 19.000 0.117 0.000 1.215 184 A HN 0.722 nan 8.150 nan 0.000 0.431 185 C N 2.611 121.879 119.300 -0.054 0.000 2.619 185 C HA 0.418 4.878 4.460 -0.000 0.000 0.389 185 C C 0.700 175.657 174.990 -0.054 0.000 1.314 185 C CA -0.310 58.654 59.018 -0.090 0.000 1.678 185 C CB -1.001 26.672 27.740 -0.112 0.000 2.398 185 C HN 0.547 nan 8.230 nan 0.000 0.582 186 V N 5.725 125.591 119.914 -0.080 0.000 2.370 186 V HA 0.288 4.408 4.120 -0.000 0.000 0.283 186 V C 0.117 176.144 176.094 -0.112 0.000 1.023 186 V CA -0.299 61.946 62.300 -0.092 0.000 0.857 186 V CB 1.391 33.099 31.823 -0.192 0.000 0.985 186 V HN 0.675 nan 8.190 nan 0.000 0.443 187 V N 4.570 124.450 119.914 -0.056 0.000 2.406 187 V HA 0.390 4.510 4.120 -0.000 0.000 0.272 187 V C 0.127 176.186 176.094 -0.058 0.000 1.043 187 V CA -0.221 62.067 62.300 -0.020 0.000 0.915 187 V CB 0.951 32.837 31.823 0.105 0.000 0.988 187 V HN 0.996 nan 8.190 nan 0.000 0.466 188 C N 4.471 123.739 119.300 -0.053 0.000 2.779 188 C HA 0.643 5.103 4.460 -0.000 0.000 0.314 188 C C 0.243 175.240 174.990 0.012 0.000 1.231 188 C CA -1.090 57.896 59.018 -0.052 0.000 1.652 188 C CB 1.870 29.545 27.740 -0.109 0.000 2.198 188 C HN 0.945 nan 8.230 nan 0.000 0.483 189 R N 1.004 121.522 120.500 0.029 0.000 2.265 189 R HA 0.548 4.888 4.340 -0.000 0.000 0.319 189 R C -0.976 175.355 176.300 0.050 0.000 1.006 189 R CA -0.234 55.895 56.100 0.050 0.000 0.880 189 R CB 0.682 31.017 30.300 0.057 0.000 1.077 189 R HN 0.655 nan 8.270 nan 0.000 0.454 190 V N 3.901 123.854 119.914 0.065 0.000 2.450 190 V HA 0.070 4.190 4.120 -0.000 0.000 0.281 190 V C 0.188 176.343 176.094 0.102 0.000 1.019 190 V CA 0.527 62.903 62.300 0.125 0.000 1.062 190 V CB 0.883 32.800 31.823 0.156 0.000 0.979 190 V HN 0.759 nan 8.190 nan 0.000 0.477 191 S N 2.989 118.754 115.700 0.108 0.000 2.750 191 S HA 0.286 4.756 4.470 -0.000 0.000 0.276 191 S C 0.485 175.126 174.600 0.068 0.000 1.165 191 S CA -0.732 57.512 58.200 0.073 0.000 1.047 191 S CB 1.366 64.598 63.200 0.053 0.000 1.056 191 S HN 0.764 nan 8.310 nan 0.000 0.481 192 D N 2.442 122.873 120.400 0.052 0.000 2.182 192 D HA -0.029 4.611 4.640 -0.000 0.000 0.201 192 D C 0.091 176.406 176.300 0.025 0.000 0.986 192 D CA 1.303 55.322 54.000 0.031 0.000 0.847 192 D CB 0.172 40.982 40.800 0.016 0.000 0.942 192 D HN 0.629 nan 8.370 nan 0.000 0.467 193 D N -0.861 119.555 120.400 0.027 0.000 2.446 193 D HA 0.135 4.775 4.640 -0.000 0.000 0.251 193 D C -1.705 174.611 176.300 0.027 0.000 1.137 193 D CA -2.063 51.951 54.000 0.023 0.000 0.890 193 D CB 1.717 42.528 40.800 0.017 0.000 1.071 193 D HN -0.172 nan 8.370 nan 0.000 0.528 194 P HA -0.201 nan 4.420 nan 0.000 0.217 194 P C 1.076 178.391 177.300 0.026 0.000 1.151 194 P CA 1.032 64.151 63.100 0.032 0.000 0.849 194 P CB 0.137 31.858 31.700 0.035 0.000 0.787 195 S N -2.517 113.196 115.700 0.022 0.000 2.527 195 S HA 0.046 4.516 4.470 -0.000 0.000 0.222 195 S C 1.059 175.668 174.600 0.016 0.000 0.985 195 S CA 0.044 58.255 58.200 0.018 0.000 0.921 195 S CB -0.400 62.809 63.200 0.016 0.000 0.772 195 S HN 0.016 nan 8.310 nan 0.000 0.529 196 K N 2.991 123.400 120.400 0.017 0.000 2.185 196 K HA 0.354 4.674 4.320 -0.000 0.000 0.271 196 K C -2.408 174.201 176.600 0.015 0.000 1.013 196 K CA -1.981 54.315 56.287 0.014 0.000 0.943 196 K CB 0.607 33.115 32.500 0.014 0.000 0.998 196 K HN 0.220 nan 8.250 nan 0.000 0.468 197 P HA -0.014 nan 4.420 nan 0.000 0.272 197 P C -0.851 176.457 177.300 0.012 0.000 1.240 197 P CA -0.294 62.813 63.100 0.012 0.000 0.791 197 P CB 0.475 32.180 31.700 0.009 0.000 0.978 198 Q N 0.755 120.563 119.800 0.012 0.000 2.300 198 Q HA -0.033 4.307 4.340 -0.000 0.000 0.280 198 Q C 0.021 176.024 176.000 0.005 0.000 1.033 198 Q CA -0.125 55.684 55.803 0.010 0.000 0.903 198 Q CB 0.041 28.783 28.738 0.007 0.000 1.195 198 Q HN 0.295 nan 8.270 nan 0.000 0.386 199 D N 6.244 126.647 120.400 0.005 0.000 2.426 199 D HA -0.031 4.609 4.640 -0.000 0.000 0.261 199 D C -1.661 174.637 176.300 -0.005 0.000 1.245 199 D CA -1.451 52.550 54.000 0.001 0.000 0.917 199 D CB 1.015 41.816 40.800 0.002 0.000 1.123 199 D HN 0.422 nan 8.370 nan 0.000 0.508 200 P HA -0.056 nan 4.420 nan 0.000 0.239 200 P C 0.456 177.748 177.300 -0.013 0.000 1.184 200 P CA 0.468 63.563 63.100 -0.010 0.000 0.760 200 P CB 0.371 32.067 31.700 -0.007 0.000 0.884 201 N N -0.701 117.992 118.700 -0.011 0.000 2.294 201 N HA 0.047 4.787 4.740 -0.000 0.000 0.186 201 N C -0.079 175.422 175.510 -0.014 0.000 1.107 201 N CA 0.115 53.158 53.050 -0.012 0.000 0.884 201 N CB 1.254 39.736 38.487 -0.008 0.000 1.030 201 N HN 0.016 nan 8.380 nan 0.000 0.482 202 V N 2.186 122.091 119.914 -0.015 0.000 2.347 202 V HA 0.165 4.285 4.120 -0.000 0.000 0.280 202 V C -0.599 175.477 176.094 -0.030 0.000 1.021 202 V CA -0.716 61.573 62.300 -0.018 0.000 0.847 202 V CB 1.154 32.971 31.823 -0.010 0.000 0.990 202 V HN 0.060 nan 8.190 nan 0.000 0.444 203 D N 8.452 128.829 120.400 -0.038 0.000 2.793 203 D HA -0.013 4.626 4.640 -0.000 0.000 0.230 203 D C -1.552 174.705 176.300 -0.072 0.000 1.139 203 D CA -0.801 53.164 54.000 -0.057 0.000 0.838 203 D CB 1.640 42.407 40.800 -0.056 0.000 1.149 203 D HN 0.410 nan 8.370 nan 0.000 0.526 204 P HA -0.145 nan 4.420 nan 0.000 0.217 204 P C 0.998 178.206 177.300 -0.153 0.000 1.148 204 P CA 1.834 64.864 63.100 -0.117 0.000 0.828 204 P CB 0.094 31.700 31.700 -0.157 0.000 0.783 205 A N -0.337 122.371 122.820 -0.186 0.000 1.972 205 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 205 A C 2.144 179.668 177.584 -0.100 0.000 1.169 205 A CA 2.297 54.219 52.037 -0.192 0.000 0.635 205 A CB -1.939 16.954 19.000 -0.178 0.000 0.810 205 A HN 0.358 nan 8.150 nan 0.000 0.446 206 T N -3.446 111.067 114.554 -0.069 0.000 3.160 206 T HA 0.016 4.366 4.350 -0.000 0.000 0.257 206 T C 1.098 175.791 174.700 -0.012 0.000 1.147 206 T CA 0.997 63.077 62.100 -0.033 0.000 1.064 206 T CB -0.049 68.805 68.868 -0.023 0.000 0.949 206 T HN 0.383 nan 8.240 nan 0.000 0.526 207 Q N 0.299 120.089 119.800 -0.016 0.000 2.179 207 Q HA 0.351 4.691 4.340 -0.000 0.000 0.213 207 Q C -0.167 175.847 176.000 0.022 0.000 0.833 207 Q CA -0.191 55.619 55.803 0.012 0.000 0.990 207 Q CB 0.544 29.291 28.738 0.014 0.000 1.132 207 Q HN 0.485 nan 8.270 nan 0.000 0.493 208 I N 1.408 121.989 120.570 0.018 0.000 2.371 208 I HA 0.390 4.560 4.170 -0.000 0.000 0.290 208 I C 0.234 176.352 176.117 0.001 0.000 1.028 208 I CA -0.725 60.608 61.300 0.056 0.000 1.345 208 I CB 0.706 38.785 38.000 0.131 0.000 1.407 208 I HN -0.116 nan 8.210 nan 0.000 0.501 209 A N 6.681 129.473 122.820 -0.047 0.000 2.374 209 A HA 0.829 5.149 4.320 -0.000 0.000 0.317 209 A C -0.939 176.551 177.584 -0.156 0.000 1.094 209 A CA -0.520 51.417 52.037 -0.166 0.000 0.765 209 A CB 1.742 20.534 19.000 -0.347 0.000 1.268 209 A HN 0.387 nan 8.150 nan 0.000 0.438 210 V N 2.461 122.258 119.914 -0.195 0.000 2.483 210 V HA 0.456 4.576 4.120 -0.000 0.000 0.297 210 V C -0.640 175.306 176.094 -0.246 0.000 1.027 210 V CA -0.185 62.014 62.300 -0.169 0.000 0.855 210 V CB 1.220 32.978 31.823 -0.110 0.000 0.995 210 V HN 0.750 nan 8.190 nan 0.000 0.424 211 L N 5.307 126.386 121.223 -0.240 0.000 2.341 211 L HA 0.558 4.898 4.340 -0.000 0.000 0.278 211 L C -1.051 175.710 176.870 -0.181 0.000 1.005 211 L CA -0.821 53.870 54.840 -0.248 0.000 0.818 211 L CB 2.015 43.918 42.059 -0.259 0.000 1.259 211 L HN 0.395 nan 8.230 nan 0.000 0.418 212 L N 4.508 125.613 121.223 -0.196 0.000 2.281 212 L HA 0.379 4.719 4.340 -0.000 0.000 0.285 212 L C -0.186 176.663 176.870 -0.036 0.000 1.074 212 L CA 0.060 54.771 54.840 -0.214 0.000 0.817 212 L CB 1.338 43.071 42.059 -0.543 0.000 1.168 212 L HN 0.201 nan 8.230 nan 0.000 0.434 213 V N 2.864 122.801 119.914 0.040 0.000 2.378 213 V HA 0.577 4.696 4.120 -0.000 0.000 0.288 213 V C 0.421 176.623 176.094 0.180 0.000 1.016 213 V CA -0.579 61.821 62.300 0.166 0.000 0.840 213 V CB 1.794 33.739 31.823 0.204 0.000 0.994 213 V HN 0.908 nan 8.190 nan 0.000 0.431 214 T N 2.187 116.871 114.554 0.216 0.000 2.893 214 T HA 0.434 4.784 4.350 -0.000 0.000 0.279 214 T C 1.096 175.876 174.700 0.132 0.000 0.991 214 T CA -0.564 61.656 62.100 0.200 0.000 0.950 214 T CB 1.346 70.358 68.868 0.239 0.000 1.223 214 T HN 0.430 nan 8.240 nan 0.000 0.585 215 R N -0.083 120.479 120.500 0.102 0.000 2.115 215 R HA -0.031 4.309 4.340 -0.000 0.000 0.230 215 R C 2.507 178.838 176.300 0.051 0.000 1.111 215 R CA 1.440 57.572 56.100 0.054 0.000 0.976 215 R CB -0.272 30.063 30.300 0.059 0.000 0.870 215 R HN 0.835 nan 8.270 nan 0.000 0.445 216 E N 0.114 120.356 120.200 0.070 0.000 2.017 216 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 216 E C 1.469 178.108 176.600 0.065 0.000 0.997 216 E CA 2.019 58.455 56.400 0.058 0.000 0.804 216 E CB 0.058 29.793 29.700 0.058 0.000 0.757 216 E HN 0.217 nan 8.360 nan 0.000 0.448 217 T N 1.500 116.118 114.554 0.107 0.000 2.680 217 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 217 T C 1.914 176.674 174.700 0.099 0.000 1.033 217 T CA 1.811 63.983 62.100 0.120 0.000 1.152 217 T CB -0.382 68.628 68.868 0.236 0.000 0.859 217 T HN 0.201 nan 8.240 nan 0.000 0.452 218 I N 1.169 121.822 120.570 0.139 0.000 2.226 218 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 218 I C 2.862 179.001 176.117 0.037 0.000 1.100 218 I CA 1.219 62.570 61.300 0.085 0.000 1.374 218 I CB -0.437 37.443 38.000 -0.200 0.000 1.057 218 I HN 0.235 nan 8.210 nan 0.000 0.413 219 A N 0.643 123.476 122.820 0.022 0.000 1.873 219 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 219 A C 1.509 179.099 177.584 0.010 0.000 1.186 219 A CA 1.430 53.480 52.037 0.021 0.000 0.616 219 A CB -0.587 18.425 19.000 0.021 0.000 0.823 219 A HN 0.415 nan 8.150 nan 0.000 0.442 220 N N 1.650 120.347 118.700 -0.005 0.000 2.715 220 N HA 0.065 4.804 4.740 -0.000 0.000 0.254 220 N C -0.687 174.785 175.510 -0.063 0.000 1.306 220 N CA 0.292 53.327 53.050 -0.025 0.000 0.956 220 N CB -0.578 37.897 38.487 -0.020 0.000 1.296 220 N HN 0.473 nan 8.380 nan 0.000 0.512 221 N N 0.180 118.851 118.700 -0.048 0.000 2.494 221 N HA 0.193 4.933 4.740 -0.000 0.000 0.270 221 N C -0.753 174.776 175.510 0.032 0.000 1.285 221 N CA -0.588 52.428 53.050 -0.057 0.000 0.812 221 N CB 1.991 40.365 38.487 -0.189 0.000 1.557 221 N HN -0.124 nan 8.380 nan 0.000 0.487 222 K N 1.246 121.682 120.400 0.060 0.000 2.436 222 K HA 0.054 4.374 4.320 -0.000 0.000 0.275 222 K C 1.240 177.911 176.600 0.119 0.000 0.999 222 K CA -0.145 56.190 56.287 0.080 0.000 0.980 222 K CB 0.838 33.386 32.500 0.079 0.000 0.919 222 K HN 0.334 nan 8.250 nan 0.000 0.484 223 K N 2.087 122.547 120.400 0.099 0.000 2.218 223 K HA -0.196 4.124 4.320 -0.000 0.000 0.205 223 K C 0.488 177.161 176.600 0.123 0.000 1.046 223 K CA 1.879 58.234 56.287 0.113 0.000 0.933 223 K CB 0.041 32.590 32.500 0.081 0.000 0.728 223 K HN 0.779 nan 8.250 nan 0.000 0.454 224 D N -1.331 119.131 120.400 0.103 0.000 2.325 224 D HA 0.025 4.665 4.640 -0.000 0.000 0.225 224 D C 1.047 177.416 176.300 0.115 0.000 1.096 224 D CA 0.281 54.330 54.000 0.081 0.000 0.844 224 D CB 0.358 41.189 40.800 0.051 0.000 0.925 224 D HN 0.086 nan 8.370 nan 0.000 0.513 225 A N -0.571 122.374 122.820 0.208 0.000 2.044 225 A HA 0.106 4.426 4.320 -0.000 0.000 0.213 225 A C 0.192 178.021 177.584 0.408 0.000 1.169 225 A CA 0.067 52.301 52.037 0.328 0.000 0.724 225 A CB -0.251 18.990 19.000 0.402 0.000 0.840 225 A HN 0.306 nan 8.150 nan 0.000 0.463 226 Y N 1.336 121.740 120.300 0.174 0.000 2.376 226 Y HA 0.508 5.058 4.550 -0.000 0.000 0.326 226 Y C -0.763 175.062 175.900 -0.125 0.000 0.970 226 Y CA -0.724 57.339 58.100 -0.061 0.000 1.248 226 Y CB 0.731 39.251 38.460 0.100 0.000 1.117 226 Y HN 0.321 nan 8.280 nan 0.000 0.476 227 Q N 5.908 125.467 119.800 -0.401 0.000 2.375 227 Q HA 0.528 4.867 4.340 -0.000 0.000 0.271 227 Q C -1.339 174.338 176.000 -0.539 0.000 1.074 227 Q CA -1.152 54.450 55.803 -0.335 0.000 0.808 227 Q CB 2.747 31.349 28.738 -0.228 0.000 1.327 227 Q HN 0.485 nan 8.270 nan 0.000 0.441 228 I N 3.649 123.938 120.570 -0.468 0.000 2.297 228 I HA 0.104 4.274 4.170 -0.000 0.000 0.291 228 I C 0.705 176.553 176.117 -0.449 0.000 1.033 228 I CA -0.023 60.930 61.300 -0.579 0.000 1.253 228 I CB 0.693 38.163 38.000 -0.882 0.000 1.396 228 I HN 0.770 nan 8.210 nan 0.000 0.476 229 L N 5.271 126.219 121.223 -0.458 0.000 2.202 229 L HA 0.301 4.641 4.340 -0.000 0.000 0.205 229 L C 1.104 177.854 176.870 -0.200 0.000 1.083 229 L CA 0.342 54.963 54.840 -0.366 0.000 0.790 229 L CB -0.121 41.576 42.059 -0.603 0.000 0.942 229 L HN 0.726 nan 8.230 nan 0.000 0.452 230 G N -0.478 108.228 108.800 -0.158 0.000 2.703 230 G HA2 0.441 4.401 3.960 -0.000 0.000 0.294 230 G HA3 0.441 4.401 3.960 -0.000 0.000 0.294 230 G C -1.929 172.925 174.900 -0.078 0.000 1.451 230 G CA -0.345 44.713 45.100 -0.069 0.000 0.869 230 G HN -0.152 nan 8.290 nan 0.000 0.516 231 E N 1.278 121.467 120.200 -0.018 0.000 2.141 231 E HA 0.599 4.949 4.350 -0.000 0.000 0.259 231 E C -2.275 174.317 176.600 -0.014 0.000 0.883 231 E CA -1.775 54.633 56.400 0.014 0.000 0.744 231 E CB 1.375 31.159 29.700 0.139 0.000 1.150 231 E HN 0.235 nan 8.360 nan 0.000 0.420 232 P HA 0.032 nan 4.420 nan 0.000 0.264 232 P C -0.798 176.522 177.300 0.034 0.000 1.193 232 P CA 0.038 63.108 63.100 -0.051 0.000 0.763 232 P CB 0.536 32.171 31.700 -0.108 0.000 0.810 233 E N 3.185 123.409 120.200 0.040 0.000 2.104 233 E HA 0.136 4.486 4.350 -0.000 0.000 0.278 233 E C 0.103 176.745 176.600 0.069 0.000 1.127 233 E CA -0.043 56.387 56.400 0.051 0.000 0.897 233 E CB 0.244 29.968 29.700 0.039 0.000 1.043 233 E HN 0.417 nan 8.360 nan 0.000 0.410 234 L N 1.576 122.844 121.223 0.075 0.000 2.395 234 L HA 0.194 4.534 4.340 -0.000 0.000 0.269 234 L C 1.633 178.526 176.870 0.038 0.000 1.133 234 L CA -0.404 54.484 54.840 0.080 0.000 0.812 234 L CB 0.947 43.059 42.059 0.088 0.000 1.125 234 L HN 0.504 nan 8.230 nan 0.000 0.452 235 A N 2.800 125.633 122.820 0.023 0.000 1.845 235 A HA 0.076 4.396 4.320 -0.000 0.000 0.215 235 A C 1.019 178.583 177.584 -0.034 0.000 1.195 235 A CA 1.550 53.583 52.037 -0.007 0.000 0.616 235 A CB -0.608 18.381 19.000 -0.018 0.000 0.832 235 A HN 0.817 nan 8.150 nan 0.000 0.443 236 G N -4.494 104.278 108.800 -0.046 0.000 2.685 236 G HA2 0.487 4.447 3.960 -0.000 0.000 0.298 236 G HA3 0.487 4.447 3.960 -0.000 0.000 0.298 236 G C -0.419 174.455 174.900 -0.043 0.000 1.277 236 G CA -0.085 44.942 45.100 -0.121 0.000 0.986 236 G HN 0.515 nan 8.290 nan 0.000 0.487 237 H N -0.902 118.102 119.070 -0.111 0.000 2.756 237 H HA -0.170 4.386 4.556 -0.000 0.000 0.315 237 H C 1.631 176.900 175.328 -0.098 0.000 1.210 237 H CA 0.931 56.919 56.048 -0.099 0.000 1.150 237 H CB -1.477 28.230 29.762 -0.091 0.000 1.463 237 H HN 0.710 nan 8.280 nan 0.000 0.427 238 I N -1.843 118.691 120.570 -0.061 0.000 3.010 238 I HA -0.110 4.060 4.170 -0.000 0.000 0.271 238 I C 1.919 177.992 176.117 -0.073 0.000 1.293 238 I CA 1.810 63.077 61.300 -0.054 0.000 1.452 238 I CB -0.068 37.901 38.000 -0.050 0.000 1.082 238 I HN 0.290 nan 8.210 nan 0.000 0.484 239 T N -3.171 111.307 114.554 -0.128 0.000 3.092 239 T HA 0.165 4.515 4.350 -0.000 0.000 0.258 239 T C 0.761 175.486 174.700 0.041 0.000 1.031 239 T CA 0.046 62.098 62.100 -0.080 0.000 0.925 239 T CB -0.286 68.410 68.868 -0.287 0.000 1.036 239 T HN 0.350 nan 8.240 nan 0.000 0.544 240 T N 1.456 115.982 114.554 -0.047 0.000 2.810 240 T HA 0.563 4.913 4.350 -0.000 0.000 0.277 240 T C -0.581 173.888 174.700 -0.384 0.000 0.973 240 T CA -0.388 61.572 62.100 -0.234 0.000 0.949 240 T CB 1.196 69.991 68.868 -0.122 0.000 1.075 240 T HN 0.343 nan 8.240 nan 0.000 0.537 241 S N -0.005 115.309 115.700 -0.644 0.000 2.677 241 S HA 0.639 5.109 4.470 -0.000 0.000 0.283 241 S C -0.393 174.056 174.600 -0.251 0.000 1.159 241 S CA -0.248 57.682 58.200 -0.449 0.000 1.001 241 S CB 0.837 63.616 63.200 -0.702 0.000 1.032 241 S HN 1.067 nan 8.310 nan 0.000 0.487 242 G N 5.165 113.922 108.800 -0.073 0.000 4.566 242 G HA2 0.448 4.408 3.960 -0.000 0.000 0.276 242 G HA3 0.448 4.408 3.960 -0.000 0.000 0.276 242 G C -3.020 171.856 174.900 -0.039 0.000 1.248 242 G CA -1.058 44.042 45.100 0.001 0.000 0.858 242 G HN 0.557 nan 8.290 nan 0.000 0.549 243 P HA 0.129 nan 4.420 nan 0.000 0.277 243 P C -0.765 176.438 177.300 -0.161 0.000 1.271 243 P CA -0.383 62.654 63.100 -0.105 0.000 0.795 243 P CB 1.155 32.805 31.700 -0.084 0.000 1.101 244 H N -0.153 118.721 119.070 -0.326 0.000 2.782 244 H HA 0.262 4.818 4.556 -0.000 0.000 0.285 244 H C -0.633 174.460 175.328 -0.392 0.000 1.093 244 H CA -0.313 55.525 56.048 -0.351 0.000 1.410 244 H CB 0.040 29.607 29.762 -0.324 0.000 1.439 244 H HN 0.213 nan 8.280 nan 0.000 0.469 245 T N 6.450 120.816 114.554 -0.314 0.000 2.779 245 T HA 0.222 4.572 4.350 -0.000 0.000 0.280 245 T C 0.024 174.346 174.700 -0.630 0.000 0.987 245 T CA -0.741 60.988 62.100 -0.618 0.000 0.966 245 T CB 1.256 69.669 68.868 -0.758 0.000 0.933 245 T HN 0.568 nan 8.240 nan 0.000 0.442 246 R N 2.618 122.706 120.500 -0.687 0.000 2.255 246 R HA 0.420 4.760 4.340 -0.000 0.000 0.326 246 R C -1.265 174.697 176.300 -0.563 0.000 0.986 246 R CA -0.635 55.165 56.100 -0.499 0.000 0.847 246 R CB 0.375 30.469 30.300 -0.344 0.000 1.111 246 R HN 0.475 nan 8.270 nan 0.000 0.452 247 F N 2.817 122.651 119.950 -0.194 0.000 2.350 247 F HA 0.239 4.765 4.527 -0.000 0.000 0.365 247 F C 0.216 176.013 175.800 -0.006 0.000 1.122 247 F CA -0.290 57.646 58.000 -0.107 0.000 1.139 247 F CB 1.823 40.744 39.000 -0.132 0.000 1.220 247 F HN 0.291 nan 8.300 nan 0.000 0.499 248 T N 3.290 117.958 114.554 0.191 0.000 2.821 248 T HA 0.264 4.614 4.350 -0.000 0.000 0.307 248 T C -0.561 174.254 174.700 0.190 0.000 1.034 248 T CA -0.792 61.395 62.100 0.145 0.000 0.953 248 T CB 0.717 69.630 68.868 0.075 0.000 0.968 248 T HN 0.423 nan 8.240 nan 0.000 0.462 249 E N 1.388 121.681 120.200 0.154 0.000 2.302 249 E HA -0.186 4.163 4.350 -0.000 0.000 0.186 249 E C -0.993 175.660 176.600 0.088 0.000 1.444 249 E CA 0.411 56.862 56.400 0.084 0.000 0.671 249 E CB -1.212 28.541 29.700 0.087 0.000 1.122 249 E HN 0.746 nan 8.360 nan 0.000 0.366 250 F N 2.495 122.413 119.950 -0.053 0.000 2.411 250 F HA 0.267 4.794 4.527 -0.000 0.000 0.352 250 F C 0.693 176.444 175.800 -0.082 0.000 1.123 250 F CA -0.665 57.363 58.000 0.046 0.000 1.044 250 F CB 0.756 39.907 39.000 0.252 0.000 1.135 250 F HN 0.059 nan 8.300 nan 0.000 0.461 251 H N 5.655 124.517 119.070 -0.347 0.000 2.517 251 H HA 0.517 5.073 4.556 -0.000 0.000 0.317 251 H C -0.883 174.355 175.328 -0.151 0.000 1.080 251 H CA -0.427 55.526 56.048 -0.158 0.000 1.301 251 H CB 1.735 31.419 29.762 -0.129 0.000 1.425 251 H HN 0.332 nan 8.280 nan 0.000 0.471 252 V N 6.114 126.139 119.914 0.185 0.000 2.524 252 V HA 0.173 4.292 4.120 -0.000 0.000 0.297 252 V C -2.272 173.989 176.094 0.277 0.000 1.035 252 V CA -1.937 60.498 62.300 0.225 0.000 0.867 252 V CB 1.877 33.863 31.823 0.273 0.000 1.004 252 V HN 0.615 nan 8.190 nan 0.000 0.426 253 P HA -0.070 nan 4.420 nan 0.000 0.263 253 P C 0.656 178.149 177.300 0.321 0.000 1.168 253 P CA 0.548 63.786 63.100 0.230 0.000 0.759 253 P CB 0.372 32.176 31.700 0.173 0.000 0.782 254 H N 3.678 122.910 119.070 0.270 0.000 2.489 254 H HA -0.150 4.406 4.556 -0.000 0.000 0.293 254 H C 1.433 176.912 175.328 0.252 0.000 1.066 254 H CA 1.922 58.189 56.048 0.365 0.000 1.305 254 H CB 0.042 29.955 29.762 0.252 0.000 1.386 254 H HN 0.513 nan 8.280 nan 0.000 0.551 255 E N -0.149 120.114 120.200 0.106 0.000 2.160 255 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 255 E C 1.230 177.854 176.600 0.040 0.000 0.991 255 E CA 1.334 57.760 56.400 0.043 0.000 0.810 255 E CB -0.343 29.425 29.700 0.113 0.000 0.742 255 E HN 0.642 nan 8.360 nan 0.000 0.466 256 N N 0.678 119.428 118.700 0.083 0.000 2.434 256 N HA 0.056 4.796 4.740 -0.000 0.000 0.196 256 N C -0.365 175.075 175.510 -0.117 0.000 1.183 256 N CA -0.422 52.659 53.050 0.052 0.000 0.849 256 N CB 0.120 38.679 38.487 0.120 0.000 0.992 256 N HN 0.075 nan 8.380 nan 0.000 0.460 257 L N 1.615 122.732 121.223 -0.176 0.000 2.360 257 L HA 0.071 4.410 4.340 -0.000 0.000 0.276 257 L C 1.037 177.783 176.870 -0.208 0.000 1.121 257 L CA 0.057 54.735 54.840 -0.270 0.000 0.845 257 L CB 0.856 42.731 42.059 -0.306 0.000 1.143 257 L HN 0.006 nan 8.230 nan 0.000 0.452 258 L N 6.126 127.221 121.223 -0.214 0.000 2.093 258 L HA 0.041 4.381 4.340 -0.000 0.000 0.208 258 L C 0.623 177.423 176.870 -0.116 0.000 1.085 258 L CA 1.577 56.314 54.840 -0.171 0.000 0.755 258 L CB -0.070 41.883 42.059 -0.175 0.000 0.904 258 L HN 0.935 nan 8.230 nan 0.000 0.435 259 C N -5.592 113.642 119.300 -0.110 0.000 3.249 259 C HA 0.389 4.849 4.460 -0.000 0.000 0.350 259 C C 0.176 175.140 174.990 -0.044 0.000 1.431 259 C CA -0.773 58.207 59.018 -0.064 0.000 1.209 259 C CB 0.317 28.022 27.740 -0.058 0.000 1.546 259 C HN 0.140 nan 8.230 nan 0.000 0.450 260 T N 3.517 118.067 114.554 -0.007 0.000 2.778 260 T HA 0.283 4.633 4.350 -0.000 0.000 0.282 260 T C -2.289 172.412 174.700 0.001 0.000 0.983 260 T CA 0.675 62.788 62.100 0.022 0.000 1.193 260 T CB -0.489 68.395 68.868 0.027 0.000 0.938 260 T HN 0.694 nan 8.240 nan 0.000 0.523 261 P HA 0.295 nan 4.420 nan 0.000 0.266 261 P C 0.918 178.222 177.300 0.006 0.000 1.193 261 P CA 0.903 63.998 63.100 -0.009 0.000 0.770 261 P CB 0.251 31.967 31.700 0.027 0.000 0.836 262 G N 0.527 109.325 108.800 -0.004 0.000 2.418 262 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.206 262 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.206 262 G C 0.698 175.585 174.900 -0.020 0.000 1.202 262 G CA -0.189 44.906 45.100 -0.008 0.000 1.061 262 G HN 0.440 nan 8.290 nan 0.000 0.563 263 L N 0.371 121.578 121.223 -0.027 0.000 2.103 263 L HA -0.216 4.124 4.340 -0.000 0.000 0.215 263 L C 3.060 179.904 176.870 -0.042 0.000 1.080 263 L CA 2.564 57.381 54.840 -0.039 0.000 0.764 263 L CB -0.475 41.562 42.059 -0.036 0.000 0.890 263 L HN 0.610 nan 8.230 nan 0.000 0.435 264 K N -0.532 119.846 120.400 -0.037 0.000 2.025 264 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 264 K C 2.254 178.827 176.600 -0.046 0.000 1.049 264 K CA 1.221 57.479 56.287 -0.048 0.000 0.933 264 K CB -0.197 32.279 32.500 -0.041 0.000 0.714 264 K HN 0.291 nan 8.250 nan 0.000 0.438 265 A N 1.553 124.355 122.820 -0.030 0.000 1.865 265 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 265 A C 2.185 179.787 177.584 0.030 0.000 1.191 265 A CA 1.568 53.596 52.037 -0.015 0.000 0.623 265 A CB -0.703 18.288 19.000 -0.016 0.000 0.826 265 A HN 0.288 nan 8.150 nan 0.000 0.444 266 Q N -0.329 119.499 119.800 0.045 0.000 2.062 266 Q HA -0.222 4.118 4.340 -0.000 0.000 0.209 266 Q C 2.158 178.192 176.000 0.057 0.000 0.996 266 Q CA 2.438 58.295 55.803 0.089 0.000 0.859 266 Q CB -1.041 27.688 28.738 -0.016 0.000 0.920 266 Q HN 0.602 nan 8.270 nan 0.000 0.415 267 G N 0.711 109.492 108.800 -0.032 0.000 2.462 267 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.220 267 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.220 267 G C 1.590 176.406 174.900 -0.140 0.000 1.121 267 G CA 0.754 45.783 45.100 -0.119 0.000 0.758 267 G HN 0.333 nan 8.290 nan 0.000 0.559 268 L N -0.116 121.061 121.223 -0.077 0.000 2.068 268 L HA -0.015 4.325 4.340 -0.000 0.000 0.204 268 L C 2.976 179.826 176.870 -0.033 0.000 1.076 268 L CA 0.418 55.209 54.840 -0.082 0.000 0.753 268 L CB -0.683 41.332 42.059 -0.073 0.000 0.910 268 L HN 0.080 nan 8.230 nan 0.000 0.439 269 V N 0.305 120.244 119.914 0.041 0.000 2.255 269 V HA -0.338 3.782 4.120 -0.000 0.000 0.247 269 V C 2.528 178.727 176.094 0.175 0.000 1.051 269 V CA 2.127 64.494 62.300 0.111 0.000 1.018 269 V CB -0.520 31.405 31.823 0.169 0.000 0.641 269 V HN 0.512 nan 8.190 nan 0.000 0.445 270 E N -0.271 120.035 120.200 0.177 0.000 2.097 270 E HA -0.259 4.091 4.350 -0.000 0.000 0.196 270 E C 2.180 178.921 176.600 0.234 0.000 1.000 270 E CA 2.048 58.578 56.400 0.218 0.000 0.804 270 E CB -0.117 29.698 29.700 0.190 0.000 0.740 270 E HN 0.651 nan 8.360 nan 0.000 0.454 271 T N 0.313 114.885 114.554 0.030 0.000 2.904 271 T HA -0.009 4.341 4.350 -0.000 0.000 0.267 271 T C 1.711 176.467 174.700 0.094 0.000 1.059 271 T CA 0.907 62.994 62.100 -0.022 0.000 1.137 271 T CB -0.100 68.533 68.868 -0.391 0.000 0.879 271 T HN 0.308 nan 8.240 nan 0.000 0.467 272 A N 1.139 123.969 122.820 0.017 0.000 1.832 272 A HA 0.055 4.374 4.320 -0.000 0.000 0.214 272 A C 1.949 179.491 177.584 -0.070 0.000 1.200 272 A CA 1.159 53.153 52.037 -0.072 0.000 0.610 272 A CB -1.189 17.704 19.000 -0.179 0.000 0.842 272 A HN 0.436 nan 8.150 nan 0.000 0.444 273 F N 0.359 120.273 119.950 -0.060 0.000 2.154 273 F HA -0.223 4.303 4.527 -0.000 0.000 0.301 273 F C 2.786 178.568 175.800 -0.030 0.000 1.087 273 F CA 1.264 59.211 58.000 -0.089 0.000 1.274 273 F CB -0.171 38.740 39.000 -0.149 0.000 1.009 273 F HN 0.284 nan 8.300 nan 0.000 0.485 274 A N -0.332 122.634 122.820 0.243 0.000 1.898 274 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 274 A C 2.219 179.870 177.584 0.112 0.000 1.181 274 A CA 1.598 53.746 52.037 0.185 0.000 0.620 274 A CB -0.704 18.468 19.000 0.287 0.000 0.819 274 A HN 0.352 nan 8.150 nan 0.000 0.442 275 M N 0.322 119.999 119.600 0.128 0.000 2.080 275 M HA -0.184 4.296 4.480 -0.000 0.000 0.260 275 M C 2.553 178.857 176.300 0.006 0.000 1.068 275 M CA 2.019 57.360 55.300 0.068 0.000 1.109 275 M CB -0.354 32.282 32.600 0.059 0.000 1.342 275 M HN 0.672 nan 8.290 nan 0.000 0.405 276 S N 0.287 115.963 115.700 -0.039 0.000 2.402 276 S HA -0.041 4.429 4.470 -0.000 0.000 0.229 276 S C 1.990 176.548 174.600 -0.069 0.000 1.021 276 S CA 0.923 59.071 58.200 -0.087 0.000 0.974 276 S CB -0.485 62.603 63.200 -0.187 0.000 0.800 276 S HN 0.443 nan 8.310 nan 0.000 0.484 277 A N 1.691 124.493 122.820 -0.030 0.000 1.969 277 A HA 0.366 4.685 4.320 -0.000 0.000 0.218 277 A C 2.479 180.054 177.584 -0.016 0.000 1.169 277 A CA 1.531 53.553 52.037 -0.025 0.000 0.635 277 A CB -1.296 17.710 19.000 0.010 0.000 0.810 277 A HN 0.888 nan 8.150 nan 0.000 0.445 278 A N -0.508 122.310 122.820 -0.004 0.000 1.929 278 A HA 0.107 4.427 4.320 -0.000 0.000 0.216 278 A C 2.057 179.649 177.584 0.012 0.000 1.176 278 A CA 1.199 53.242 52.037 0.010 0.000 0.628 278 A CB -0.402 18.608 19.000 0.017 0.000 0.816 278 A HN 0.447 nan 8.150 nan 0.000 0.444 279 L N -0.809 120.410 121.223 -0.005 0.000 2.313 279 L HA -0.052 4.288 4.340 -0.000 0.000 0.214 279 L C 2.362 179.200 176.870 -0.054 0.000 1.119 279 L CA 0.297 55.131 54.840 -0.010 0.000 0.809 279 L CB -0.260 41.792 42.059 -0.012 0.000 0.933 279 L HN 0.226 nan 8.230 nan 0.000 0.449 280 V N 0.585 120.455 119.914 -0.073 0.000 2.392 280 V HA -0.253 3.867 4.120 -0.000 0.000 0.249 280 V C 2.611 178.599 176.094 -0.177 0.000 1.059 280 V CA 2.085 64.323 62.300 -0.105 0.000 1.051 280 V CB -0.953 30.831 31.823 -0.065 0.000 0.658 280 V HN 0.593 nan 8.190 nan 0.000 0.455 281 G N -0.516 108.224 108.800 -0.101 0.000 2.507 281 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.221 281 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.221 281 G C 1.712 176.538 174.900 -0.124 0.000 1.119 281 G CA 1.166 46.208 45.100 -0.098 0.000 0.751 281 G HN 0.655 nan 8.290 nan 0.000 0.574 282 A N 0.335 123.099 122.820 -0.094 0.000 1.930 282 A HA 0.113 4.433 4.320 -0.000 0.000 0.217 282 A C 2.452 179.924 177.584 -0.188 0.000 1.175 282 A CA 1.667 53.669 52.037 -0.059 0.000 0.627 282 A CB -0.285 18.729 19.000 0.023 0.000 0.815 282 A HN 0.409 nan 8.150 nan 0.000 0.443 283 M N -0.528 118.815 119.600 -0.428 0.000 2.132 283 M HA -0.100 4.380 4.480 -0.000 0.000 0.263 283 M C 2.556 178.428 176.300 -0.715 0.000 1.065 283 M CA 1.410 56.208 55.300 -0.838 0.000 1.122 283 M CB -0.418 31.485 32.600 -1.162 0.000 1.365 283 M HN 0.452 nan 8.290 nan 0.000 0.411 284 A N 0.804 123.162 122.820 -0.770 0.000 1.858 284 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 284 A C 2.097 179.594 177.584 -0.145 0.000 1.190 284 A CA 1.610 53.321 52.037 -0.543 0.000 0.617 284 A CB -0.974 17.825 19.000 -0.335 0.000 0.827 284 A HN 0.420 nan 8.150 nan 0.000 0.443 285 I N -0.103 120.399 120.570 -0.114 0.000 2.151 285 I HA -0.265 3.905 4.170 -0.000 0.000 0.243 285 I C 2.722 178.861 176.117 0.035 0.000 1.080 285 I CA 1.298 62.582 61.300 -0.028 0.000 1.339 285 I CB -0.676 37.309 38.000 -0.024 0.000 1.039 285 I HN 0.409 nan 8.210 nan 0.000 0.409 286 G N -0.105 108.727 108.800 0.053 0.000 2.553 286 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.218 286 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.218 286 G C 1.649 176.650 174.900 0.169 0.000 1.195 286 G CA 1.712 46.901 45.100 0.148 0.000 0.779 286 G HN 0.302 nan 8.290 nan 0.000 0.577 287 T N 1.524 116.199 114.554 0.202 0.000 2.708 287 T HA 0.001 4.351 4.350 -0.000 0.000 0.266 287 T C 2.810 177.608 174.700 0.164 0.000 1.037 287 T CA 1.793 64.028 62.100 0.224 0.000 1.146 287 T CB -0.457 68.633 68.868 0.371 0.000 0.865 287 T HN 0.404 nan 8.240 nan 0.000 0.435 288 A N 1.374 124.282 122.820 0.146 0.000 1.933 288 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 288 A C 2.278 179.959 177.584 0.160 0.000 1.175 288 A CA 1.688 53.804 52.037 0.132 0.000 0.628 288 A CB -0.572 18.474 19.000 0.076 0.000 0.814 288 A HN 0.409 nan 8.150 nan 0.000 0.444 289 R N -0.417 120.170 120.500 0.145 0.000 2.105 289 R HA -0.130 4.210 4.340 -0.000 0.000 0.239 289 R C 2.274 178.700 176.300 0.211 0.000 1.135 289 R CA 1.406 57.623 56.100 0.194 0.000 0.967 289 R CB -0.360 30.029 30.300 0.149 0.000 0.861 289 R HN 0.465 nan 8.270 nan 0.000 0.442 290 A N 0.525 123.425 122.820 0.134 0.000 1.930 290 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 290 A C 2.309 179.916 177.584 0.039 0.000 1.175 290 A CA 1.523 53.596 52.037 0.060 0.000 0.627 290 A CB -0.637 18.373 19.000 0.018 0.000 0.815 290 A HN 0.518 nan 8.150 nan 0.000 0.443 291 A N -0.822 122.072 122.820 0.123 0.000 1.877 291 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 291 A C 2.061 179.873 177.584 0.380 0.000 1.186 291 A CA 1.706 53.904 52.037 0.269 0.000 0.620 291 A CB -0.794 18.410 19.000 0.341 0.000 0.822 291 A HN 0.774 nan 8.150 nan 0.000 0.443 292 F N 1.021 121.065 119.950 0.157 0.000 2.134 292 F HA -0.135 4.392 4.527 -0.000 0.000 0.299 292 F C 2.143 178.012 175.800 0.115 0.000 1.097 292 F CA 2.141 60.217 58.000 0.126 0.000 1.264 292 F CB -0.306 38.740 39.000 0.076 0.000 1.001 292 F HN 0.372 nan 8.300 nan 0.000 0.479 293 E N -0.046 120.097 120.200 -0.095 0.000 2.046 293 E HA -0.244 4.106 4.350 -0.000 0.000 0.190 293 E C 2.155 178.667 176.600 -0.147 0.000 0.982 293 E CA 1.238 57.489 56.400 -0.249 0.000 0.800 293 E CB -0.394 29.267 29.700 -0.064 0.000 0.756 293 E HN 0.569 nan 8.360 nan 0.000 0.449 294 E N 0.795 120.967 120.200 -0.047 0.000 2.097 294 E HA -0.241 4.109 4.350 -0.000 0.000 0.196 294 E C 1.963 178.654 176.600 0.153 0.000 1.000 294 E CA 1.256 57.655 56.400 -0.002 0.000 0.804 294 E CB -0.053 29.543 29.700 -0.173 0.000 0.740 294 E HN 0.223 nan 8.360 nan 0.000 0.454 295 A N 0.544 123.502 122.820 0.230 0.000 1.930 295 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 295 A C 2.087 179.726 177.584 0.093 0.000 1.175 295 A CA 1.157 53.332 52.037 0.231 0.000 0.627 295 A CB -0.526 18.597 19.000 0.204 0.000 0.815 295 A HN 0.385 nan 8.150 nan 0.000 0.443 296 L N -0.086 121.059 121.223 -0.130 0.000 2.027 296 L HA -0.076 4.264 4.340 -0.000 0.000 0.206 296 L C 2.335 179.146 176.870 -0.099 0.000 1.074 296 L CA 1.937 56.651 54.840 -0.210 0.000 0.745 296 L CB -0.595 41.142 42.059 -0.537 0.000 0.898 296 L HN 0.126 nan 8.230 nan 0.000 0.433 297 V N -0.342 119.528 119.914 -0.073 0.000 2.287 297 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 297 V C 2.357 178.459 176.094 0.013 0.000 1.053 297 V CA 2.240 64.516 62.300 -0.041 0.000 1.027 297 V CB -0.953 30.857 31.823 -0.022 0.000 0.646 297 V HN 0.550 nan 8.190 nan 0.000 0.447 298 F N 1.514 121.436 119.950 -0.046 0.000 2.102 298 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 298 F C 2.326 178.105 175.800 -0.036 0.000 1.105 298 F CA 1.497 59.487 58.000 -0.017 0.000 1.239 298 F CB -0.634 38.391 39.000 0.040 0.000 0.991 298 F HN 0.072 nan 8.300 nan 0.000 0.474 299 A N -0.013 122.831 122.820 0.040 0.000 1.948 299 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 299 A C 2.086 179.566 177.584 -0.173 0.000 1.177 299 A CA 2.007 54.011 52.037 -0.054 0.000 0.636 299 A CB -0.696 18.323 19.000 0.032 0.000 0.815 299 A HN 0.512 nan 8.150 nan 0.000 0.449 300 K N -0.342 119.925 120.400 -0.221 0.000 2.404 300 K HA 0.063 4.383 4.320 -0.000 0.000 0.194 300 K C 1.069 177.237 176.600 -0.721 0.000 1.023 300 K CA 0.751 56.822 56.287 -0.360 0.000 1.094 300 K CB 0.200 32.557 32.500 -0.239 0.000 0.841 300 K HN 0.609 nan 8.250 nan 0.000 0.523 301 S N -1.325 114.039 115.700 -0.560 0.000 2.817 301 S HA 0.109 4.579 4.470 -0.000 0.000 0.262 301 S C -0.297 174.141 174.600 -0.269 0.000 1.051 301 S CA -0.638 57.276 58.200 -0.476 0.000 1.185 301 S CB 0.540 63.588 63.200 -0.253 0.000 1.152 301 S HN 0.021 nan 8.310 nan 0.000 0.653 302 D N 1.948 122.121 120.400 -0.377 0.000 2.505 302 D HA 0.365 5.005 4.640 -0.000 0.000 0.249 302 D C 0.503 176.695 176.300 -0.180 0.000 1.082 302 D CA 0.008 53.772 54.000 -0.394 0.000 0.839 302 D CB 2.491 42.640 40.800 -1.084 0.000 1.317 302 D HN 0.225 nan 8.370 nan 0.000 0.497 303 T N 0.689 115.209 114.554 -0.056 0.000 3.060 303 T HA 0.075 4.425 4.350 -0.000 0.000 0.249 303 T C 1.146 175.858 174.700 0.020 0.000 1.079 303 T CA -0.162 61.932 62.100 -0.009 0.000 1.013 303 T CB 0.214 69.066 68.868 -0.027 0.000 0.975 303 T HN 0.515 nan 8.240 nan 0.000 0.518 304 R N 0.716 121.217 120.500 0.002 0.000 3.416 304 R HA -0.142 4.198 4.340 -0.000 0.000 0.263 304 R C 1.181 177.513 176.300 0.052 0.000 1.053 304 R CA 0.974 57.108 56.100 0.056 0.000 0.705 304 R CB -1.948 28.409 30.300 0.095 0.000 1.124 304 R HN 1.146 nan 8.270 nan 0.000 0.444 305 G N -3.431 105.390 108.800 0.035 0.000 2.176 305 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.253 305 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.253 305 G C 0.492 175.406 174.900 0.023 0.000 0.979 305 G CA 0.148 45.265 45.100 0.027 0.000 0.641 305 G HN 0.971 nan 8.290 nan 0.000 0.530 306 G N -0.768 108.052 108.800 0.032 0.000 2.938 306 G HA2 0.684 4.644 3.960 -0.000 0.000 0.258 306 G HA3 0.684 4.644 3.960 -0.000 0.000 0.258 306 G C 1.153 176.053 174.900 -0.000 0.000 1.356 306 G CA 0.817 45.937 45.100 0.033 0.000 1.052 306 G HN 1.148 nan 8.290 nan 0.000 0.550 307 S N -1.587 114.108 115.700 -0.009 0.000 2.503 307 S HA 0.158 4.628 4.470 -0.000 0.000 0.217 307 S C 0.720 175.254 174.600 -0.111 0.000 0.999 307 S CA 0.306 58.476 58.200 -0.050 0.000 0.914 307 S CB -0.234 62.943 63.200 -0.037 0.000 0.782 307 S HN 0.669 nan 8.310 nan 0.000 0.520 308 K N 0.450 120.777 120.400 -0.121 0.000 2.328 308 K HA 0.457 4.777 4.320 -0.000 0.000 0.246 308 K C -1.110 175.364 176.600 -0.210 0.000 0.955 308 K CA -0.981 55.173 56.287 -0.221 0.000 0.817 308 K CB 0.599 32.972 32.500 -0.212 0.000 1.208 308 K HN -0.008 nan 8.250 nan 0.000 0.432 309 H N 1.254 120.240 119.070 -0.140 0.000 3.038 309 H HA -0.054 4.502 4.556 -0.000 0.000 0.338 309 H C 1.104 176.315 175.328 -0.195 0.000 1.041 309 H CA 0.107 56.063 56.048 -0.154 0.000 1.394 309 H CB 0.462 30.141 29.762 -0.137 0.000 1.357 309 H HN 0.594 nan 8.280 nan 0.000 0.600 310 I N 2.958 123.528 120.570 -0.000 0.000 2.657 310 I HA -0.209 3.961 4.170 -0.000 0.000 0.261 310 I C 2.395 178.527 176.117 0.024 0.000 1.212 310 I CA 0.853 62.187 61.300 0.056 0.000 1.453 310 I CB -0.354 37.704 38.000 0.097 0.000 1.092 310 I HN 0.634 nan 8.210 nan 0.000 0.452 311 I N 0.180 120.741 120.570 -0.015 0.000 3.001 311 I HA -0.157 4.013 4.170 -0.000 0.000 0.268 311 I C 1.504 177.596 176.117 -0.042 0.000 1.267 311 I CA 0.831 62.129 61.300 -0.003 0.000 1.472 311 I CB -0.193 37.803 38.000 -0.008 0.000 1.089 311 I HN 0.221 nan 8.210 nan 0.000 0.468 312 E N -0.058 120.049 120.200 -0.155 0.000 2.502 312 E HA -0.013 4.337 4.350 -0.000 0.000 0.194 312 E C -0.123 176.353 176.600 -0.207 0.000 1.062 312 E CA 0.222 56.512 56.400 -0.183 0.000 0.867 312 E CB -0.094 29.471 29.700 -0.225 0.000 0.888 312 E HN 0.548 nan 8.360 nan 0.000 0.510 313 H N 1.398 120.479 119.070 0.019 0.000 2.604 313 H HA 0.162 4.718 4.556 -0.000 0.000 0.306 313 H C 1.120 176.459 175.328 0.019 0.000 1.075 313 H CA -0.065 55.992 56.048 0.016 0.000 1.357 313 H CB 1.150 30.921 29.762 0.016 0.000 1.426 313 H HN 0.099 nan 8.280 nan 0.000 0.470 314 Q N 1.870 121.751 119.800 0.134 0.000 2.152 314 Q HA -0.130 4.209 4.340 -0.000 0.000 0.206 314 Q C 1.652 177.695 176.000 0.073 0.000 0.985 314 Q CA 1.654 57.504 55.803 0.079 0.000 0.863 314 Q CB 0.263 29.035 28.738 0.057 0.000 0.904 314 Q HN 0.514 nan 8.270 nan 0.000 0.422 315 S N -0.381 115.365 115.700 0.077 0.000 2.387 315 S HA -0.080 4.389 4.470 -0.000 0.000 0.226 315 S C 2.026 176.664 174.600 0.063 0.000 1.026 315 S CA 0.715 58.947 58.200 0.053 0.000 0.972 315 S CB -0.001 63.216 63.200 0.029 0.000 0.814 315 S HN 0.148 nan 8.310 nan 0.000 0.477 316 V N 2.224 122.195 119.914 0.094 0.000 2.237 316 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 316 V C 2.703 178.851 176.094 0.089 0.000 1.046 316 V CA 1.851 64.210 62.300 0.099 0.000 1.007 316 V CB -1.263 30.644 31.823 0.139 0.000 0.638 316 V HN 0.533 nan 8.190 nan 0.000 0.445 317 A N -0.155 122.715 122.820 0.085 0.000 1.917 317 A HA -0.313 4.007 4.320 -0.000 0.000 0.219 317 A C 1.979 179.606 177.584 0.071 0.000 1.182 317 A CA 2.214 54.296 52.037 0.075 0.000 0.633 317 A CB -0.800 18.236 19.000 0.059 0.000 0.819 317 A HN 0.570 nan 8.150 nan 0.000 0.448 318 D N -0.117 120.317 120.400 0.058 0.000 2.133 318 D HA -0.157 4.483 4.640 -0.000 0.000 0.195 318 D C 1.936 178.264 176.300 0.048 0.000 0.997 318 D CA 1.304 55.331 54.000 0.045 0.000 0.840 318 D CB -0.152 40.669 40.800 0.035 0.000 0.947 318 D HN 0.359 nan 8.370 nan 0.000 0.452 319 K N 0.437 120.871 120.400 0.057 0.000 2.002 319 K HA -0.048 4.271 4.320 -0.000 0.000 0.209 319 K C 2.483 179.140 176.600 0.096 0.000 1.048 319 K CA 0.397 56.721 56.287 0.061 0.000 0.930 319 K CB -0.737 31.797 32.500 0.057 0.000 0.714 319 K HN 0.256 nan 8.250 nan 0.000 0.438 320 L N 0.824 122.133 121.223 0.143 0.000 2.042 320 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 320 L C 2.560 179.549 176.870 0.198 0.000 1.076 320 L CA 1.120 56.116 54.840 0.260 0.000 0.749 320 L CB -0.553 41.663 42.059 0.262 0.000 0.893 320 L HN 0.129 nan 8.230 nan 0.000 0.432 321 I N -0.081 120.555 120.570 0.109 0.000 2.142 321 I HA -0.315 3.855 4.170 -0.000 0.000 0.240 321 I C 2.211 178.320 176.117 -0.012 0.000 1.078 321 I CA 1.401 62.728 61.300 0.045 0.000 1.343 321 I CB -0.442 37.580 38.000 0.037 0.000 1.046 321 I HN 0.277 nan 8.210 nan 0.000 0.405 322 D N 0.453 120.854 120.400 0.001 0.000 2.149 322 D HA -0.177 4.463 4.640 -0.000 0.000 0.198 322 D C 2.272 178.536 176.300 -0.060 0.000 0.990 322 D CA 1.258 55.247 54.000 -0.019 0.000 0.839 322 D CB -0.470 40.330 40.800 -0.001 0.000 0.948 322 D HN 0.395 nan 8.370 nan 0.000 0.460 323 C N 0.548 119.812 119.300 -0.060 0.000 2.432 323 C HA -0.108 4.352 4.460 -0.000 0.000 0.277 323 C C 2.577 177.347 174.990 -0.368 0.000 1.249 323 C CA 0.562 59.498 59.018 -0.137 0.000 1.725 323 C CB -0.572 27.169 27.740 0.002 0.000 2.028 323 C HN 0.254 nan 8.230 nan 0.000 0.477 324 K N 1.435 121.521 120.400 -0.523 0.000 2.026 324 K HA -0.046 4.274 4.320 -0.000 0.000 0.208 324 K C 1.643 178.049 176.600 -0.324 0.000 1.048 324 K CA 1.621 57.507 56.287 -0.670 0.000 0.929 324 K CB -0.742 31.487 32.500 -0.451 0.000 0.713 324 K HN 0.494 nan 8.250 nan 0.000 0.439 325 I N 0.572 121.029 120.570 -0.189 0.000 2.151 325 I HA -0.356 3.814 4.170 -0.000 0.000 0.243 325 I C 2.456 178.527 176.117 -0.078 0.000 1.080 325 I CA 1.572 62.809 61.300 -0.106 0.000 1.339 325 I CB -0.243 37.723 38.000 -0.056 0.000 1.039 325 I HN 0.225 nan 8.210 nan 0.000 0.409 326 R N 0.389 120.836 120.500 -0.088 0.000 2.081 326 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 326 R C 2.336 178.599 176.300 -0.062 0.000 1.131 326 R CA 1.282 57.349 56.100 -0.055 0.000 0.960 326 R CB -0.449 29.789 30.300 -0.104 0.000 0.856 326 R HN 0.347 nan 8.270 nan 0.000 0.436 327 L N 0.348 121.486 121.223 -0.142 0.000 2.046 327 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 327 L C 2.537 179.328 176.870 -0.132 0.000 1.077 327 L CA 1.365 56.120 54.840 -0.143 0.000 0.747 327 L CB -0.327 41.599 42.059 -0.222 0.000 0.896 327 L HN 0.150 nan 8.230 nan 0.000 0.432 328 E N -0.103 120.006 120.200 -0.152 0.000 2.072 328 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 328 E C 2.125 178.639 176.600 -0.143 0.000 0.985 328 E CA 1.899 58.198 56.400 -0.168 0.000 0.801 328 E CB -0.109 29.492 29.700 -0.165 0.000 0.750 328 E HN 0.530 nan 8.360 nan 0.000 0.452 329 T N -2.028 112.488 114.554 -0.063 0.000 2.708 329 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 329 T C 2.192 176.909 174.700 0.029 0.000 1.037 329 T CA 1.368 63.453 62.100 -0.026 0.000 1.146 329 T CB -0.676 68.221 68.868 0.048 0.000 0.865 329 T HN 0.003 nan 8.240 nan 0.000 0.435 330 S N 1.482 117.273 115.700 0.152 0.000 2.377 330 S HA -0.185 4.285 4.470 -0.000 0.000 0.224 330 S C 2.152 176.737 174.600 -0.025 0.000 1.042 330 S CA 1.808 60.090 58.200 0.137 0.000 1.086 330 S CB -0.494 62.737 63.200 0.053 0.000 0.995 330 S HN 0.602 nan 8.310 nan 0.000 0.428 331 R N 0.393 120.806 120.500 -0.145 0.000 2.083 331 R HA -0.113 4.226 4.340 -0.000 0.000 0.237 331 R C 2.141 178.171 176.300 -0.450 0.000 1.137 331 R CA 1.315 57.218 56.100 -0.328 0.000 0.951 331 R CB -0.543 29.467 30.300 -0.483 0.000 0.851 331 R HN 0.226 nan 8.270 nan 0.000 0.434 332 L N 0.597 121.599 121.223 -0.367 0.000 2.021 332 L HA -0.228 4.112 4.340 -0.000 0.000 0.215 332 L C 2.247 179.090 176.870 -0.044 0.000 1.074 332 L CA 1.535 56.248 54.840 -0.211 0.000 0.760 332 L CB -0.924 41.049 42.059 -0.143 0.000 0.889 332 L HN 0.303 nan 8.230 nan 0.000 0.433 333 L N -1.587 119.608 121.223 -0.046 0.000 2.141 333 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 333 L C 2.358 179.266 176.870 0.063 0.000 1.094 333 L CA 1.183 56.025 54.840 0.003 0.000 0.763 333 L CB -0.339 41.703 42.059 -0.027 0.000 0.908 333 L HN 0.023 nan 8.230 nan 0.000 0.437 334 V N -1.520 118.440 119.914 0.077 0.000 2.295 334 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 334 V C 2.236 178.510 176.094 0.300 0.000 1.049 334 V CA 1.862 64.258 62.300 0.160 0.000 1.024 334 V CB -0.850 31.078 31.823 0.175 0.000 0.648 334 V HN 0.504 nan 8.190 nan 0.000 0.447 335 W N 0.751 122.074 121.300 0.038 0.000 2.333 335 W HA -0.162 4.498 4.660 -0.000 0.000 0.316 335 W C 2.568 179.100 176.519 0.021 0.000 1.215 335 W CA 1.573 58.942 57.345 0.039 0.000 1.278 335 W CB -1.262 28.241 29.460 0.071 0.000 1.154 335 W HN 0.191 nan 8.180 nan 0.000 0.486 336 K N 0.698 121.256 120.400 0.264 0.000 2.074 336 K HA -0.186 4.134 4.320 -0.000 0.000 0.209 336 K C 2.085 178.735 176.600 0.083 0.000 1.048 336 K CA 2.312 58.678 56.287 0.131 0.000 0.926 336 K CB -0.876 31.677 32.500 0.088 0.000 0.713 336 K HN -0.041 nan 8.250 nan 0.000 0.444 337 A N 0.369 123.241 122.820 0.087 0.000 1.841 337 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 337 A C 2.366 179.977 177.584 0.043 0.000 1.199 337 A CA 2.642 54.708 52.037 0.048 0.000 0.621 337 A CB -1.324 17.705 19.000 0.048 0.000 0.835 337 A HN 0.331 nan 8.150 nan 0.000 0.445 338 V N -2.617 117.339 119.914 0.070 0.000 2.407 338 V HA -0.183 3.937 4.120 -0.000 0.000 0.248 338 V C 2.210 178.321 176.094 0.028 0.000 1.055 338 V CA 2.677 65.005 62.300 0.047 0.000 1.049 338 V CB -1.932 29.920 31.823 0.048 0.000 0.662 338 V HN 0.440 nan 8.190 nan 0.000 0.455 339 T N 0.738 115.310 114.554 0.031 0.000 2.708 339 T HA -0.171 4.179 4.350 -0.000 0.000 0.266 339 T C 1.960 176.664 174.700 0.007 0.000 1.037 339 T CA 2.432 64.537 62.100 0.009 0.000 1.146 339 T CB -0.620 68.252 68.868 0.007 0.000 0.865 339 T HN 0.687 nan 8.240 nan 0.000 0.435 340 T N 2.593 117.152 114.554 0.008 0.000 2.684 340 T HA -0.004 4.346 4.350 -0.000 0.000 0.267 340 T C 1.943 176.644 174.700 0.002 0.000 1.036 340 T CA 0.954 63.050 62.100 -0.005 0.000 1.148 340 T CB -0.555 68.300 68.868 -0.021 0.000 0.863 340 T HN 0.271 nan 8.240 nan 0.000 0.436 341 L N 0.587 121.815 121.223 0.009 0.000 2.263 341 L HA -0.121 4.219 4.340 -0.000 0.000 0.216 341 L C 2.441 179.348 176.870 0.061 0.000 1.111 341 L CA 1.338 56.204 54.840 0.045 0.000 0.773 341 L CB -0.481 41.610 42.059 0.054 0.000 0.906 341 L HN 0.377 nan 8.230 nan 0.000 0.439 342 E N -1.138 119.083 120.200 0.034 0.000 2.452 342 E HA -0.060 4.290 4.350 -0.000 0.000 0.197 342 E C 0.317 176.931 176.600 0.024 0.000 1.022 342 E CA -0.199 56.217 56.400 0.027 0.000 0.890 342 E CB 0.331 30.037 29.700 0.009 0.000 0.918 342 E HN 0.206 nan 8.360 nan 0.000 0.496 343 D N 1.401 121.814 120.400 0.023 0.000 2.352 343 D HA -0.008 4.632 4.640 -0.000 0.000 0.245 343 D C 0.283 176.603 176.300 0.032 0.000 1.224 343 D CA 0.241 54.252 54.000 0.018 0.000 0.879 343 D CB 0.806 41.612 40.800 0.009 0.000 1.057 343 D HN 0.002 nan 8.370 nan 0.000 0.491 344 E N 2.152 122.370 120.200 0.030 0.000 2.478 344 E HA -0.066 4.284 4.350 -0.000 0.000 0.198 344 E C 1.419 178.041 176.600 0.037 0.000 1.046 344 E CA 0.261 56.684 56.400 0.038 0.000 0.870 344 E CB 0.245 29.962 29.700 0.028 0.000 0.818 344 E HN 0.546 nan 8.360 nan 0.000 0.527 345 A N 0.494 123.332 122.820 0.029 0.000 2.206 345 A HA 0.070 4.389 4.320 -0.000 0.000 0.211 345 A C 0.772 178.375 177.584 0.032 0.000 1.158 345 A CA 0.251 52.305 52.037 0.027 0.000 0.761 345 A CB 0.020 19.032 19.000 0.020 0.000 0.801 345 A HN 0.072 nan 8.150 nan 0.000 0.473 346 L N 0.295 121.541 121.223 0.038 0.000 2.322 346 L HA 0.322 4.662 4.340 -0.000 0.000 0.279 346 L C 0.152 177.060 176.870 0.063 0.000 1.036 346 L CA -0.693 54.169 54.840 0.036 0.000 0.807 346 L CB 1.430 43.499 42.059 0.016 0.000 1.226 346 L HN 0.227 nan 8.230 nan 0.000 0.433 347 E N 1.473 121.707 120.200 0.057 0.000 2.415 347 E HA -0.125 4.224 4.350 -0.000 0.000 0.262 347 E C 0.225 176.899 176.600 0.124 0.000 1.038 347 E CA 0.137 56.593 56.400 0.094 0.000 0.921 347 E CB 1.005 30.745 29.700 0.067 0.000 0.950 347 E HN 0.634 nan 8.360 nan 0.000 0.438 348 W N 4.900 126.205 121.300 0.009 0.000 2.358 348 W HA -0.247 4.412 4.660 -0.000 0.000 0.303 348 W C 1.629 178.157 176.519 0.015 0.000 1.208 348 W CA 1.714 59.065 57.345 0.010 0.000 1.274 348 W CB 0.058 29.523 29.460 0.008 0.000 1.138 348 W HN 0.602 nan 8.180 nan 0.000 0.515 349 K N 0.162 120.521 120.400 -0.068 0.000 2.152 349 K HA -0.181 4.139 4.320 -0.000 0.000 0.206 349 K C 1.656 178.127 176.600 -0.215 0.000 1.048 349 K CA 1.909 58.097 56.287 -0.164 0.000 0.933 349 K CB -0.983 31.523 32.500 0.011 0.000 0.721 349 K HN 0.082 nan 8.250 nan 0.000 0.447 350 V N 1.834 121.656 119.914 -0.153 0.000 2.358 350 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 350 V C 2.265 178.232 176.094 -0.211 0.000 1.047 350 V CA 1.897 64.118 62.300 -0.132 0.000 1.035 350 V CB -0.431 31.343 31.823 -0.080 0.000 0.658 350 V HN 0.372 nan 8.190 nan 0.000 0.452 351 K N -0.251 119.960 120.400 -0.314 0.000 2.057 351 K HA -0.182 4.138 4.320 -0.000 0.000 0.207 351 K C 2.110 178.391 176.600 -0.532 0.000 1.049 351 K CA 1.394 57.447 56.287 -0.391 0.000 0.931 351 K CB -0.438 31.808 32.500 -0.424 0.000 0.714 351 K HN 0.240 nan 8.250 nan 0.000 0.440 352 L N 1.995 122.717 121.223 -0.834 0.000 2.079 352 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 352 L C 2.273 178.964 176.870 -0.300 0.000 1.081 352 L CA 1.814 56.265 54.840 -0.649 0.000 0.752 352 L CB -0.350 41.315 42.059 -0.657 0.000 0.896 352 L HN 0.207 nan 8.230 nan 0.000 0.433 353 E N -0.998 119.060 120.200 -0.236 0.000 2.072 353 E HA -0.259 4.090 4.350 -0.000 0.000 0.191 353 E C 2.147 178.687 176.600 -0.100 0.000 0.985 353 E CA 1.541 57.866 56.400 -0.124 0.000 0.801 353 E CB -0.072 29.596 29.700 -0.052 0.000 0.750 353 E HN 0.444 nan 8.360 nan 0.000 0.452 354 M N 0.530 120.060 119.600 -0.116 0.000 2.175 354 M HA -0.055 4.425 4.480 -0.000 0.000 0.264 354 M C 1.962 178.225 176.300 -0.062 0.000 1.063 354 M CA 1.654 56.909 55.300 -0.075 0.000 1.119 354 M CB -0.361 32.196 32.600 -0.072 0.000 1.377 354 M HN 0.097 nan 8.290 nan 0.000 0.415 355 A N -0.416 122.346 122.820 -0.097 0.000 1.968 355 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 355 A C 2.036 179.598 177.584 -0.036 0.000 1.169 355 A CA 1.488 53.488 52.037 -0.062 0.000 0.638 355 A CB -0.497 18.455 19.000 -0.081 0.000 0.812 355 A HN 0.504 nan 8.150 nan 0.000 0.446 356 M N -0.601 118.969 119.600 -0.051 0.000 2.077 356 M HA -0.147 4.333 4.480 -0.000 0.000 0.261 356 M C 2.263 178.561 176.300 -0.004 0.000 1.070 356 M CA 1.413 56.697 55.300 -0.027 0.000 1.125 356 M CB -1.617 30.958 32.600 -0.042 0.000 1.339 356 M HN 0.505 nan 8.290 nan 0.000 0.409 357 Q N -0.233 119.562 119.800 -0.008 0.000 2.082 357 Q HA -0.202 4.138 4.340 -0.000 0.000 0.211 357 Q C 2.043 178.077 176.000 0.057 0.000 1.002 357 Q CA 2.574 58.388 55.803 0.018 0.000 0.868 357 Q CB -0.415 28.321 28.738 -0.003 0.000 0.931 357 Q HN 0.529 nan 8.270 nan 0.000 0.414 358 T N 0.854 115.431 114.554 0.040 0.000 2.643 358 T HA -0.158 4.192 4.350 -0.000 0.000 0.264 358 T C 1.730 176.479 174.700 0.082 0.000 1.045 358 T CA 1.117 63.258 62.100 0.067 0.000 1.155 358 T CB -0.161 68.732 68.868 0.042 0.000 0.863 358 T HN 0.149 nan 8.240 nan 0.000 0.420 359 K N 0.768 121.195 120.400 0.046 0.000 2.103 359 K HA -0.058 4.262 4.320 -0.000 0.000 0.207 359 K C 2.262 178.897 176.600 0.057 0.000 1.048 359 K CA 1.226 57.536 56.287 0.039 0.000 0.930 359 K CB -0.521 31.989 32.500 0.017 0.000 0.716 359 K HN 0.381 nan 8.250 nan 0.000 0.444 360 I N -0.304 120.305 120.570 0.065 0.000 2.113 360 I HA -0.313 3.857 4.170 -0.000 0.000 0.238 360 I C 2.431 178.600 176.117 0.087 0.000 1.070 360 I CA 1.387 62.728 61.300 0.068 0.000 1.332 360 I CB -0.499 37.538 38.000 0.062 0.000 1.044 360 I HN 0.135 nan 8.210 nan 0.000 0.402 361 Y N 1.982 122.284 120.300 0.003 0.000 2.097 361 Y HA -0.347 4.203 4.550 -0.000 0.000 0.282 361 Y C 2.938 178.839 175.900 0.001 0.000 1.152 361 Y CA 2.515 60.615 58.100 0.002 0.000 1.136 361 Y CB -0.775 37.683 38.460 -0.003 0.000 0.975 361 Y HN 0.306 nan 8.280 nan 0.000 0.498 362 T N -2.765 111.819 114.554 0.051 0.000 2.720 362 T HA -0.233 4.117 4.350 -0.000 0.000 0.268 362 T C 1.815 176.457 174.700 -0.097 0.000 1.037 362 T CA 2.190 64.263 62.100 -0.045 0.000 1.144 362 T CB -1.389 67.498 68.868 0.030 0.000 0.864 362 T HN 0.585 nan 8.240 nan 0.000 0.444 363 T N -0.447 114.090 114.554 -0.028 0.000 2.937 363 T HA -0.018 4.332 4.350 -0.000 0.000 0.260 363 T C 1.667 176.374 174.700 0.011 0.000 1.051 363 T CA 0.909 63.033 62.100 0.040 0.000 1.141 363 T CB -0.446 68.499 68.868 0.128 0.000 0.879 363 T HN 0.165 nan 8.240 nan 0.000 0.459 364 D N 1.055 121.427 120.400 -0.046 0.000 2.117 364 D HA -0.017 4.623 4.640 -0.000 0.000 0.197 364 D C 2.202 178.436 176.300 -0.111 0.000 0.987 364 D CA 0.685 54.648 54.000 -0.063 0.000 0.829 364 D CB -0.417 40.341 40.800 -0.069 0.000 0.961 364 D HN 0.264 nan 8.370 nan 0.000 0.460 365 V N 0.697 120.473 119.914 -0.229 0.000 2.719 365 V HA -0.070 4.050 4.120 -0.000 0.000 0.252 365 V C 2.252 178.253 176.094 -0.155 0.000 1.065 365 V CA 1.364 63.495 62.300 -0.282 0.000 1.086 365 V CB -0.213 31.217 31.823 -0.655 0.000 0.700 365 V HN 0.159 nan 8.190 nan 0.000 0.467 366 A N -0.494 122.268 122.820 -0.097 0.000 2.015 366 A HA -0.105 4.214 4.320 -0.000 0.000 0.219 366 A C 2.301 179.902 177.584 0.029 0.000 1.163 366 A CA 1.692 53.724 52.037 -0.010 0.000 0.646 366 A CB -0.376 18.653 19.000 0.047 0.000 0.806 366 A HN 0.348 nan 8.150 nan 0.000 0.448 367 V N -0.022 119.901 119.914 0.016 0.000 2.244 367 V HA -0.271 3.849 4.120 -0.000 0.000 0.244 367 V C 2.350 178.448 176.094 0.007 0.000 1.042 367 V CA 2.256 64.566 62.300 0.016 0.000 1.006 367 V CB -0.922 30.902 31.823 0.002 0.000 0.641 367 V HN 0.636 nan 8.190 nan 0.000 0.446 368 E N -0.887 119.303 120.200 -0.017 0.000 2.147 368 E HA -0.320 4.030 4.350 -0.000 0.000 0.199 368 E C 2.248 178.845 176.600 -0.005 0.000 1.005 368 E CA 1.807 58.195 56.400 -0.019 0.000 0.810 368 E CB -0.410 29.264 29.700 -0.043 0.000 0.736 368 E HN 0.682 nan 8.360 nan 0.000 0.460 369 C N 0.032 119.330 119.300 -0.003 0.000 2.453 369 C HA -0.103 4.357 4.460 -0.000 0.000 0.277 369 C C 2.665 177.699 174.990 0.072 0.000 1.262 369 C CA 0.676 59.706 59.018 0.020 0.000 1.718 369 C CB -0.753 26.991 27.740 0.006 0.000 2.031 369 C HN 0.228 nan 8.230 nan 0.000 0.480 370 V N 1.265 121.230 119.914 0.086 0.000 2.295 370 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 370 V C 2.275 178.414 176.094 0.074 0.000 1.049 370 V CA 2.482 64.859 62.300 0.129 0.000 1.024 370 V CB -0.589 31.310 31.823 0.127 0.000 0.648 370 V HN 0.570 nan 8.190 nan 0.000 0.447 371 I N -0.069 120.521 120.570 0.034 0.000 2.252 371 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 371 I C 2.280 178.382 176.117 -0.025 0.000 1.102 371 I CA 1.568 62.867 61.300 -0.001 0.000 1.385 371 I CB -0.517 37.483 38.000 -0.001 0.000 1.064 371 I HN 0.298 nan 8.210 nan 0.000 0.414 372 D N 1.119 121.517 120.400 -0.004 0.000 2.144 372 D HA -0.148 4.492 4.640 -0.000 0.000 0.199 372 D C 2.230 178.523 176.300 -0.013 0.000 0.984 372 D CA 1.533 55.532 54.000 -0.003 0.000 0.834 372 D CB -0.120 40.691 40.800 0.017 0.000 0.955 372 D HN 0.334 nan 8.370 nan 0.000 0.465 373 A N 0.122 122.946 122.820 0.006 0.000 1.969 373 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 373 A C 2.226 179.637 177.584 -0.288 0.000 1.169 373 A CA 1.087 53.114 52.037 -0.016 0.000 0.635 373 A CB -0.433 18.659 19.000 0.154 0.000 0.810 373 A HN 0.165 nan 8.150 nan 0.000 0.445 374 M N -0.786 118.607 119.600 -0.345 0.000 2.132 374 M HA -0.132 4.348 4.480 -0.000 0.000 0.263 374 M C 2.087 178.213 176.300 -0.289 0.000 1.065 374 M CA 1.605 56.603 55.300 -0.503 0.000 1.122 374 M CB -0.301 32.126 32.600 -0.287 0.000 1.365 374 M HN 0.301 nan 8.290 nan 0.000 0.411 375 K N 0.315 120.621 120.400 -0.158 0.000 2.147 375 K HA -0.092 4.228 4.320 -0.000 0.000 0.205 375 K C 2.054 178.611 176.600 -0.071 0.000 1.049 375 K CA 1.372 57.600 56.287 -0.097 0.000 0.936 375 K CB -0.247 32.219 32.500 -0.058 0.000 0.722 375 K HN 0.292 nan 8.250 nan 0.000 0.446 376 A N 0.891 123.674 122.820 -0.062 0.000 1.873 376 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 376 A C 2.280 179.881 177.584 0.029 0.000 1.186 376 A CA 1.305 53.345 52.037 0.004 0.000 0.616 376 A CB -0.484 18.540 19.000 0.040 0.000 0.823 376 A HN 0.079 nan 8.150 nan 0.000 0.442 377 V N -0.805 119.058 119.914 -0.084 0.000 2.809 377 V HA 0.206 4.326 4.120 -0.000 0.000 0.256 377 V C 1.751 177.791 176.094 -0.090 0.000 1.080 377 V CA 0.897 63.131 62.300 -0.110 0.000 1.102 377 V CB -1.695 29.851 31.823 -0.462 0.000 0.705 377 V HN 1.126 nan 8.190 nan 0.000 0.475 378 G N -0.165 108.574 108.800 -0.101 0.000 2.562 378 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.250 378 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.250 378 G C 0.509 175.351 174.900 -0.097 0.000 1.269 378 G CA 0.389 45.445 45.100 -0.073 0.000 0.919 378 G HN 0.178 nan 8.290 nan 0.000 0.574 379 M N 0.387 119.953 119.600 -0.056 0.000 2.143 379 M HA -0.038 4.442 4.480 -0.000 0.000 0.258 379 M C 2.335 178.632 176.300 -0.005 0.000 1.071 379 M CA 2.878 58.154 55.300 -0.039 0.000 1.088 379 M CB -0.621 31.968 32.600 -0.018 0.000 1.360 379 M HN 0.580 nan 8.290 nan 0.000 0.404 380 K N -0.741 119.630 120.400 -0.049 0.000 2.209 380 K HA -0.094 4.226 4.320 -0.000 0.000 0.204 380 K C 1.817 178.395 176.600 -0.038 0.000 1.048 380 K CA 1.446 57.696 56.287 -0.060 0.000 0.940 380 K CB -0.336 32.069 32.500 -0.158 0.000 0.729 380 K HN 0.594 nan 8.250 nan 0.000 0.451 381 S N -0.317 115.327 115.700 -0.093 0.000 2.507 381 S HA -0.160 4.310 4.470 -0.000 0.000 0.235 381 S C 1.553 176.236 174.600 0.139 0.000 0.988 381 S CA 0.607 58.773 58.200 -0.058 0.000 0.944 381 S CB -0.238 62.666 63.200 -0.494 0.000 0.762 381 S HN 0.359 nan 8.310 nan 0.000 0.526 382 Y N 2.061 122.345 120.300 -0.027 0.000 2.457 382 Y HA 0.604 5.154 4.550 -0.000 0.000 0.263 382 Y C 0.910 176.813 175.900 0.006 0.000 1.164 382 Y CA -0.679 57.416 58.100 -0.008 0.000 1.274 382 Y CB -0.145 38.299 38.460 -0.028 0.000 1.097 382 Y HN 0.423 nan 8.280 nan 0.000 0.523 383 A N 0.291 123.137 122.820 0.043 0.000 2.306 383 A HA 0.343 4.663 4.320 -0.000 0.000 0.314 383 A C 0.797 178.362 177.584 -0.032 0.000 1.164 383 A CA -0.658 51.370 52.037 -0.015 0.000 0.822 383 A CB 0.753 19.764 19.000 0.018 0.000 1.130 383 A HN 0.353 nan 8.150 nan 0.000 0.496 384 K N 0.685 121.050 120.400 -0.058 0.000 2.551 384 K HA -0.050 4.270 4.320 -0.000 0.000 0.192 384 K C 0.374 176.948 176.600 -0.044 0.000 1.027 384 K CA 0.864 57.117 56.287 -0.057 0.000 1.059 384 K CB 0.193 32.654 32.500 -0.065 0.000 0.831 384 K HN 0.824 nan 8.250 nan 0.000 0.508 385 D N -0.162 120.220 120.400 -0.031 0.000 2.340 385 D HA -0.051 4.589 4.640 -0.000 0.000 0.220 385 D C 0.472 176.750 176.300 -0.035 0.000 1.039 385 D CA 0.272 54.254 54.000 -0.030 0.000 0.866 385 D CB 0.288 41.078 40.800 -0.016 0.000 0.913 385 D HN 0.101 nan 8.370 nan 0.000 0.523 386 M N -0.348 119.232 119.600 -0.033 0.000 2.724 386 M HA 0.227 4.706 4.480 -0.000 0.000 0.310 386 M C 0.786 177.008 176.300 -0.130 0.000 1.217 386 M CA -0.776 54.488 55.300 -0.061 0.000 0.894 386 M CB 2.312 34.946 32.600 0.055 0.000 1.719 386 M HN -0.306 nan 8.290 nan 0.000 0.479 387 S N 0.116 115.622 115.700 -0.323 0.000 2.489 387 S HA 0.009 4.479 4.470 -0.000 0.000 0.228 387 S C 1.327 175.755 174.600 -0.288 0.000 0.995 387 S CA 0.861 58.862 58.200 -0.332 0.000 0.934 387 S CB -0.249 62.706 63.200 -0.408 0.000 0.771 387 S HN 0.498 nan 8.310 nan 0.000 0.522 388 F N 1.979 121.899 119.950 -0.050 0.000 2.134 388 F HA 0.005 4.532 4.527 -0.000 0.000 0.299 388 F C -0.515 175.255 175.800 -0.051 0.000 1.097 388 F CA 0.550 58.527 58.000 -0.038 0.000 1.264 388 F CB -2.249 36.734 39.000 -0.028 0.000 1.001 388 F HN 0.172 nan 8.300 nan 0.000 0.479 389 P HA -0.215 nan 4.420 nan 0.000 0.216 389 P C 1.569 178.846 177.300 -0.039 0.000 1.153 389 P CA 1.793 64.881 63.100 -0.020 0.000 0.858 389 P CB -0.138 31.507 31.700 -0.091 0.000 0.789 390 R N -0.113 120.354 120.500 -0.054 0.000 2.073 390 R HA -0.096 4.244 4.340 -0.000 0.000 0.234 390 R C 2.238 178.483 176.300 -0.091 0.000 1.134 390 R CA 1.391 57.444 56.100 -0.078 0.000 0.952 390 R CB -0.933 29.321 30.300 -0.077 0.000 0.850 390 R HN 0.135 nan 8.270 nan 0.000 0.433 391 L N 0.732 121.920 121.223 -0.058 0.000 2.017 391 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 391 L C 2.570 179.427 176.870 -0.020 0.000 1.073 391 L CA 0.806 55.627 54.840 -0.032 0.000 0.745 391 L CB -0.680 41.389 42.059 0.015 0.000 0.894 391 L HN 0.276 nan 8.230 nan 0.000 0.432 392 L N 0.440 121.677 121.223 0.023 0.000 1.997 392 L HA -0.290 4.050 4.340 -0.000 0.000 0.216 392 L C 2.349 179.188 176.870 -0.051 0.000 1.074 392 L CA 1.969 56.817 54.840 0.013 0.000 0.763 392 L CB -0.831 41.251 42.059 0.039 0.000 0.890 392 L HN 0.295 nan 8.230 nan 0.000 0.434 393 N N -0.410 118.244 118.700 -0.078 0.000 2.106 393 N HA -0.189 4.551 4.740 -0.000 0.000 0.188 393 N C 1.769 177.160 175.510 -0.197 0.000 1.029 393 N CA 1.758 54.740 53.050 -0.113 0.000 0.848 393 N CB -0.182 38.244 38.487 -0.102 0.000 1.007 393 N HN 0.566 nan 8.380 nan 0.000 0.423 394 E N 0.504 120.534 120.200 -0.285 0.000 2.153 394 E HA -0.089 4.261 4.350 -0.000 0.000 0.194 394 E C 1.856 178.152 176.600 -0.508 0.000 0.988 394 E CA 0.464 56.541 56.400 -0.539 0.000 0.811 394 E CB 0.072 29.423 29.700 -0.582 0.000 0.746 394 E HN 0.023 nan 8.360 nan 0.000 0.466 395 V N 0.707 120.431 119.914 -0.316 0.000 2.871 395 V HA -0.122 3.998 4.120 -0.000 0.000 0.256 395 V C 1.667 177.589 176.094 -0.286 0.000 1.082 395 V CA 0.926 63.061 62.300 -0.275 0.000 1.105 395 V CB -0.034 31.790 31.823 0.002 0.000 0.713 395 V HN 0.305 nan 8.190 nan 0.000 0.473 396 M N -1.430 118.032 119.600 -0.229 0.000 2.619 396 M HA -0.027 4.453 4.480 -0.000 0.000 0.251 396 M C 2.088 178.261 176.300 -0.211 0.000 1.106 396 M CA 0.884 56.089 55.300 -0.158 0.000 1.086 396 M CB -1.807 30.733 32.600 -0.099 0.000 1.465 396 M HN 0.612 nan 8.290 nan 0.000 0.506 397 C N 0.025 119.094 119.300 -0.385 0.000 2.466 397 C HA -0.168 4.292 4.460 -0.000 0.000 0.278 397 C C 2.523 177.262 174.990 -0.418 0.000 1.288 397 C CA 0.610 59.350 59.018 -0.463 0.000 1.722 397 C CB -0.859 26.483 27.740 -0.663 0.000 2.017 397 C HN 0.496 nan 8.230 nan 0.000 0.488 398 Y N 2.523 122.656 120.300 -0.278 0.000 2.097 398 Y HA -0.037 4.513 4.550 -0.000 0.000 0.282 398 Y C 0.156 176.152 175.900 0.160 0.000 1.152 398 Y CA 1.655 59.710 58.100 -0.074 0.000 1.136 398 Y CB -2.512 35.928 38.460 -0.033 0.000 0.975 398 Y HN 0.381 nan 8.280 nan 0.000 0.498 399 P HA -0.087 nan 4.420 nan 0.000 0.226 399 P C 1.382 178.744 177.300 0.104 0.000 1.153 399 P CA 1.431 64.609 63.100 0.130 0.000 0.777 399 P CB -0.010 31.725 31.700 0.058 0.000 0.794 400 L N -1.563 119.718 121.223 0.098 0.000 2.200 400 L HA 0.134 4.474 4.340 -0.000 0.000 0.200 400 L C 1.869 178.784 176.870 0.075 0.000 1.072 400 L CA 0.264 55.119 54.840 0.025 0.000 0.787 400 L CB -0.539 41.482 42.059 -0.064 0.000 0.957 400 L HN -0.027 nan 8.230 nan 0.000 0.459 401 F N -0.219 119.658 119.950 -0.122 0.000 2.284 401 F HA 0.217 4.744 4.527 -0.000 0.000 0.297 401 F C 0.724 176.490 175.800 -0.057 0.000 1.215 401 F CA -0.787 57.130 58.000 -0.140 0.000 1.120 401 F CB 0.177 39.091 39.000 -0.143 0.000 1.426 401 F HN -0.004 nan 8.300 nan 0.000 0.514 402 D N 0.756 120.838 120.400 -0.530 0.000 2.701 402 D HA -0.078 4.562 4.640 -0.000 0.000 0.235 402 D C 0.031 176.215 176.300 -0.192 0.000 1.155 402 D CA 1.688 55.418 54.000 -0.451 0.000 0.649 402 D CB -1.369 38.904 40.800 -0.877 0.000 1.050 402 D HN 1.442 nan 8.370 nan 0.000 0.425 403 G N -0.865 107.825 108.800 -0.183 0.000 3.115 403 G HA2 0.254 4.213 3.960 -0.000 0.000 0.291 403 G HA3 0.254 4.213 3.960 -0.000 0.000 0.291 403 G C 0.595 175.441 174.900 -0.090 0.000 1.012 403 G CA -0.016 44.980 45.100 -0.173 0.000 0.929 403 G HN 0.921 nan 8.290 nan 0.000 0.413 404 G N 1.305 110.060 108.800 -0.074 0.000 2.562 404 G HA2 0.318 4.278 3.960 -0.000 0.000 0.233 404 G HA3 0.318 4.278 3.960 -0.000 0.000 0.233 404 G C 1.011 175.900 174.900 -0.019 0.000 1.266 404 G CA 0.278 45.358 45.100 -0.032 0.000 0.852 404 G HN 0.652 nan 8.290 nan 0.000 0.581 405 N N 0.440 119.141 118.700 0.002 0.000 2.270 405 N HA -0.100 4.640 4.740 -0.000 0.000 0.181 405 N C 2.107 177.616 175.510 -0.003 0.000 1.016 405 N CA 0.488 53.541 53.050 0.005 0.000 0.870 405 N CB -0.007 38.490 38.487 0.018 0.000 0.979 405 N HN 0.389 nan 8.380 nan 0.000 0.431 406 I N 0.267 120.833 120.570 -0.006 0.000 2.235 406 I HA -0.004 4.166 4.170 -0.000 0.000 0.241 406 I C 2.399 178.511 176.117 -0.008 0.000 1.085 406 I CA 1.013 62.309 61.300 -0.007 0.000 1.378 406 I CB -1.666 36.330 38.000 -0.007 0.000 1.076 406 I HN 0.059 nan 8.210 nan 0.000 0.415 407 G N 0.469 109.263 108.800 -0.011 0.000 2.404 407 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.215 407 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.215 407 G C 1.767 176.667 174.900 -0.000 0.000 1.174 407 G CA 0.572 45.669 45.100 -0.005 0.000 0.780 407 G HN 0.266 nan 8.290 nan 0.000 0.537 408 L N -0.809 120.408 121.223 -0.011 0.000 2.488 408 L HA 0.255 4.595 4.340 -0.000 0.000 0.186 408 L C 2.747 179.611 176.870 -0.009 0.000 1.124 408 L CA 0.193 55.029 54.840 -0.006 0.000 0.838 408 L CB -0.111 41.926 42.059 -0.036 0.000 1.107 408 L HN -0.158 nan 8.230 nan 0.000 0.494 409 K N 0.786 121.176 120.400 -0.017 0.000 2.032 409 K HA -0.148 4.172 4.320 -0.000 0.000 0.209 409 K C 2.085 178.675 176.600 -0.016 0.000 1.048 409 K CA 1.534 57.813 56.287 -0.014 0.000 0.927 409 K CB -0.487 32.009 32.500 -0.008 0.000 0.712 409 K HN 0.265 nan 8.250 nan 0.000 0.441 410 R N 0.482 120.974 120.500 -0.014 0.000 2.115 410 R HA -0.055 4.285 4.340 -0.000 0.000 0.230 410 R C 2.412 178.693 176.300 -0.031 0.000 1.111 410 R CA 0.915 57.003 56.100 -0.020 0.000 0.976 410 R CB -0.160 30.132 30.300 -0.013 0.000 0.870 410 R HN 0.018 nan 8.270 nan 0.000 0.445 411 R N 0.979 121.466 120.500 -0.023 0.000 2.055 411 R HA -0.030 4.310 4.340 -0.000 0.000 0.228 411 R C 2.295 178.576 176.300 -0.033 0.000 1.143 411 R CA 1.397 57.481 56.100 -0.025 0.000 0.945 411 R CB -0.536 29.758 30.300 -0.010 0.000 0.841 411 R HN 0.258 nan 8.270 nan 0.000 0.429 412 Q N -0.240 119.549 119.800 -0.018 0.000 2.096 412 Q HA -0.249 4.091 4.340 -0.000 0.000 0.208 412 Q C 2.124 178.092 176.000 -0.054 0.000 0.993 412 Q CA 1.957 57.749 55.803 -0.019 0.000 0.862 412 Q CB -0.281 28.460 28.738 0.005 0.000 0.915 412 Q HN 0.347 nan 8.270 nan 0.000 0.416 413 M N 0.463 120.024 119.600 -0.064 0.000 2.175 413 M HA -0.241 4.239 4.480 -0.000 0.000 0.264 413 M C 2.328 178.541 176.300 -0.145 0.000 1.063 413 M CA 1.552 56.792 55.300 -0.100 0.000 1.119 413 M CB -0.039 32.514 32.600 -0.078 0.000 1.377 413 M HN 0.207 nan 8.290 nan 0.000 0.415 414 Q N 0.163 119.895 119.800 -0.114 0.000 2.061 414 Q HA -0.260 4.080 4.340 -0.000 0.000 0.204 414 Q C 2.083 177.995 176.000 -0.148 0.000 0.984 414 Q CA 1.876 57.601 55.803 -0.130 0.000 0.846 414 Q CB -0.195 28.493 28.738 -0.084 0.000 0.902 414 Q HN 0.478 nan 8.270 nan 0.000 0.421 415 R N -0.468 119.967 120.500 -0.109 0.000 2.094 415 R HA -0.177 4.162 4.340 -0.000 0.000 0.239 415 R C 2.302 178.524 176.300 -0.130 0.000 1.137 415 R CA 1.901 57.943 56.100 -0.096 0.000 0.943 415 R CB -0.357 29.907 30.300 -0.059 0.000 0.850 415 R HN 0.222 nan 8.270 nan 0.000 0.433 416 V N 1.105 120.927 119.914 -0.153 0.000 2.255 416 V HA -0.327 3.793 4.120 -0.000 0.000 0.247 416 V C 2.354 178.214 176.094 -0.391 0.000 1.051 416 V CA 2.188 64.380 62.300 -0.181 0.000 1.018 416 V CB -0.417 31.317 31.823 -0.148 0.000 0.641 416 V HN 0.412 nan 8.190 nan 0.000 0.445 417 M N 0.034 119.234 119.600 -0.667 0.000 2.267 417 M HA -0.135 4.345 4.480 -0.000 0.000 0.263 417 M C 2.191 178.142 176.300 -0.583 0.000 1.063 417 M CA 1.934 56.498 55.300 -1.227 0.000 1.090 417 M CB -0.568 31.492 32.600 -0.899 0.000 1.392 417 M HN 0.396 nan 8.290 nan 0.000 0.422 418 A N 0.480 123.116 122.820 -0.308 0.000 2.067 418 A HA 0.148 4.468 4.320 -0.000 0.000 0.217 418 A C 1.091 178.622 177.584 -0.088 0.000 1.156 418 A CA 0.227 52.170 52.037 -0.155 0.000 0.683 418 A CB -0.534 18.398 19.000 -0.113 0.000 0.808 418 A HN 0.353 nan 8.150 nan 0.000 0.455 419 L N 0.050 121.225 121.223 -0.080 0.000 2.485 419 L HA 0.022 4.362 4.340 -0.000 0.000 0.275 419 L C 1.509 178.399 176.870 0.033 0.000 1.207 419 L CA -0.147 54.686 54.840 -0.011 0.000 0.855 419 L CB 0.394 42.458 42.059 0.008 0.000 1.114 419 L HN 0.422 nan 8.230 nan 0.000 0.485 420 E N 0.986 121.202 120.200 0.028 0.000 2.204 420 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 420 E C 0.445 177.075 176.600 0.050 0.000 0.990 420 E CA 1.325 57.745 56.400 0.034 0.000 0.821 420 E CB 0.239 29.951 29.700 0.020 0.000 0.750 420 E HN 0.751 nan 8.360 nan 0.000 0.477 421 D N -1.069 119.367 120.400 0.059 0.000 2.501 421 D HA -0.081 4.559 4.640 -0.000 0.000 0.226 421 D C -0.342 176.001 176.300 0.072 0.000 1.198 421 D CA -0.571 53.459 54.000 0.050 0.000 0.830 421 D CB -1.029 39.792 40.800 0.034 0.000 1.014 421 D HN 0.199 nan 8.370 nan 0.000 0.496 422 Y N 2.006 122.278 120.300 -0.045 0.000 2.721 422 Y HA 0.052 4.602 4.550 -0.000 0.000 0.329 422 Y C -0.121 175.728 175.900 -0.085 0.000 1.211 422 Y CA 0.262 58.318 58.100 -0.074 0.000 1.512 422 Y CB 0.531 38.937 38.460 -0.090 0.000 1.249 422 Y HN -0.096 nan 8.280 nan 0.000 0.549 423 E N 9.117 129.013 120.200 -0.507 0.000 2.183 423 E HA 0.133 4.483 4.350 -0.000 0.000 0.250 423 E C -1.916 174.150 176.600 -0.890 0.000 0.901 423 E CA -1.974 54.092 56.400 -0.558 0.000 0.741 423 E CB 1.180 30.744 29.700 -0.226 0.000 1.182 423 E HN 0.608 nan 8.360 nan 0.000 0.425 424 P HA -0.165 nan 4.420 nan 0.000 0.216 424 P C 0.245 176.948 177.300 -0.994 0.000 1.150 424 P CA 1.321 63.584 63.100 -1.394 0.000 0.837 424 P CB 0.107 30.857 31.700 -1.584 0.000 0.786 425 W N -1.236 119.961 121.300 -0.171 0.000 3.132 425 W HA 0.538 5.198 4.660 -0.000 0.000 0.364 425 W C 2.065 178.533 176.519 -0.085 0.000 1.129 425 W CA -0.165 57.127 57.345 -0.087 0.000 1.815 425 W CB -0.426 29.072 29.460 0.063 0.000 1.099 425 W HN -0.118 nan 8.180 nan 0.000 0.605 426 A N 1.091 123.927 122.820 0.027 0.000 1.986 426 A HA -0.115 4.205 4.320 -0.000 0.000 0.220 426 A C 2.150 179.742 177.584 0.013 0.000 1.171 426 A CA 2.106 54.156 52.037 0.021 0.000 0.640 426 A CB -0.700 18.276 19.000 -0.040 0.000 0.811 426 A HN 0.249 nan 8.150 nan 0.000 0.451 427 A N -1.940 120.874 122.820 -0.010 0.000 2.167 427 A HA 0.133 4.453 4.320 -0.000 0.000 0.214 427 A C 2.018 179.570 177.584 -0.053 0.000 1.151 427 A CA 1.871 53.893 52.037 -0.025 0.000 0.735 427 A CB -0.383 18.600 19.000 -0.028 0.000 0.802 427 A HN 0.408 nan 8.150 nan 0.000 0.467 428 T N -2.834 111.658 114.554 -0.104 0.000 3.056 428 T HA 0.152 4.502 4.350 -0.000 0.000 0.243 428 T C 1.159 175.665 174.700 -0.324 0.000 0.995 428 T CA 0.583 62.495 62.100 -0.312 0.000 1.091 428 T CB -0.096 68.417 68.868 -0.592 0.000 0.990 428 T HN 0.537 nan 8.240 nan 0.000 0.464 429 Y N 1.171 121.510 120.300 0.064 0.000 2.444 429 Y HA 0.437 4.987 4.550 -0.000 0.000 0.249 429 Y C 1.592 177.508 175.900 0.028 0.000 1.134 429 Y CA -0.186 57.937 58.100 0.038 0.000 1.261 429 Y CB 0.616 39.102 38.460 0.044 0.000 1.143 429 Y HN 0.391 nan 8.280 nan 0.000 0.523 430 G N 0.633 109.513 108.800 0.132 0.000 2.782 430 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.228 430 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.228 430 G C -0.208 174.739 174.900 0.079 0.000 1.372 430 G CA -0.358 44.791 45.100 0.082 0.000 0.862 430 G HN 0.166 nan 8.290 nan 0.000 0.547 431 S N 0.000 115.729 115.700 0.048 0.000 2.498 431 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 431 S CA 0.000 58.221 58.200 0.034 0.000 1.107 431 S CB 0.000 63.213 63.200 0.022 0.000 0.593 431 S HN 0.000 nan 8.310 nan 0.000 0.517