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 1t8s_1_E DATA FIRST_RESID 8 DATA SEQUENCE LTPAQALDKL DALYEQSVVA LRNAIGNYIT SGELPDENAR KQGLFVYPSL DATA SEQUENCE TVTWDGSTTN PPKTRAFGRF THAGSYTTTI TRPTLFRSYL NEQLTLLYQD DATA SEQUENCE YGAHISVQPS QHEIPYPYVI XXXXXXLDRS XSAGLTRYFP TTXXXXXXXX DATA SEQUENCE XXXXXXXXXX FSPLSHFDAR RVDFSLARLR HYTGTPVEHF QPFVLFTNYT DATA SEQUENCE RYVDEFVRWG CSQILDPDSP YIALSCAGGN WITAETEAPE EAISDLAWKK DATA SEQUENCE HQXPAWHLIT ADGQGITLVN IGVGPSNAKT ICDHLAVLRP DVWLXIGHCG DATA SEQUENCE GLRESQAIGD YVLAHAYLRD DHVLDAVLPP DIPIPSIAEV QRALYDATKL DATA SEQUENCE VSGRPGEEVK QRLRTGTVVT TDDRNWELRY SASALRFNLS RAVAIDXESA DATA SEQUENCE TIAAQGYRFR VPYGTLLCVS DKPLHGEIKX XXXXXXXXXG AISEHLQIGI DATA SEQUENCE RAIDLLRAEG DRLHSRKLRT FNEPPFR 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 8 L HA 0.000 nan 4.340 nan 0.000 0.249 8 L C 0.000 176.848 176.870 -0.036 0.000 1.165 8 L CA 0.000 54.867 54.840 0.045 0.000 0.813 8 L CB 0.000 42.054 42.059 -0.009 0.000 0.961 9 T N 0.292 114.767 114.554 -0.132 0.000 2.912 9 T HA 0.544 4.894 4.350 -0.000 0.000 0.280 9 T C -2.263 172.230 174.700 -0.344 0.000 0.989 9 T CA -1.704 60.148 62.100 -0.412 0.000 0.995 9 T CB 1.696 70.394 68.868 -0.282 0.000 1.077 9 T HN 0.364 nan 8.240 nan 0.000 0.531 10 P HA -0.092 nan 4.420 nan 0.000 0.214 10 P C 1.744 178.964 177.300 -0.132 0.000 1.163 10 P CA 1.900 64.857 63.100 -0.239 0.000 0.889 10 P CB -0.360 31.204 31.700 -0.226 0.000 0.790 11 A N -0.649 122.102 122.820 -0.115 0.000 1.940 11 A HA -0.287 4.033 4.320 -0.000 0.000 0.219 11 A C 2.249 179.808 177.584 -0.041 0.000 1.176 11 A CA 1.799 53.801 52.037 -0.059 0.000 0.631 11 A CB -1.372 17.603 19.000 -0.042 0.000 0.814 11 A HN 0.222 nan 8.150 nan 0.000 0.446 12 Q N -0.778 118.989 119.800 -0.054 0.000 2.046 12 Q HA -0.072 4.268 4.340 -0.000 0.000 0.200 12 Q C 2.481 178.472 176.000 -0.016 0.000 0.975 12 Q CA 1.339 57.126 55.803 -0.027 0.000 0.836 12 Q CB -0.390 28.332 28.738 -0.027 0.000 0.896 12 Q HN 0.681 nan 8.270 nan 0.000 0.428 13 A N 0.952 123.751 122.820 -0.034 0.000 1.908 13 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 13 A C 2.080 179.671 177.584 0.012 0.000 1.181 13 A CA 1.193 53.224 52.037 -0.010 0.000 0.627 13 A CB -0.756 18.230 19.000 -0.023 0.000 0.818 13 A HN 0.293 nan 8.150 nan 0.000 0.445 14 L N -0.532 120.692 121.223 0.001 0.000 2.046 14 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 14 L C 2.143 179.034 176.870 0.035 0.000 1.077 14 L CA 1.534 56.386 54.840 0.020 0.000 0.747 14 L CB -0.686 41.377 42.059 0.006 0.000 0.896 14 L HN 0.344 nan 8.230 nan 0.000 0.432 15 D N -0.020 120.396 120.400 0.026 0.000 2.117 15 D HA -0.200 4.440 4.640 -0.000 0.000 0.197 15 D C 2.114 178.443 176.300 0.050 0.000 0.987 15 D CA 1.192 55.214 54.000 0.036 0.000 0.829 15 D CB -0.007 40.808 40.800 0.025 0.000 0.961 15 D HN 0.242 nan 8.370 nan 0.000 0.460 16 K N 0.473 120.900 120.400 0.046 0.000 2.097 16 K HA -0.032 4.288 4.320 -0.000 0.000 0.205 16 K C 2.303 178.952 176.600 0.082 0.000 1.050 16 K CA 0.369 56.690 56.287 0.058 0.000 0.938 16 K CB -0.008 32.521 32.500 0.049 0.000 0.718 16 K HN 0.062 nan 8.250 nan 0.000 0.442 17 L N 0.915 122.188 121.223 0.084 0.000 2.017 17 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 17 L C 2.175 179.138 176.870 0.154 0.000 1.073 17 L CA 1.260 56.167 54.840 0.112 0.000 0.745 17 L CB -0.473 41.639 42.059 0.088 0.000 0.894 17 L HN 0.269 nan 8.230 nan 0.000 0.432 18 D N 0.010 120.487 120.400 0.129 0.000 2.104 18 D HA -0.190 4.450 4.640 -0.000 0.000 0.194 18 D C 2.122 178.520 176.300 0.163 0.000 0.994 18 D CA 1.613 55.708 54.000 0.158 0.000 0.830 18 D CB 0.140 41.005 40.800 0.108 0.000 0.959 18 D HN 0.342 nan 8.370 nan 0.000 0.452 19 A N 1.098 123.988 122.820 0.115 0.000 1.835 19 A HA -0.151 4.169 4.320 -0.000 0.000 0.215 19 A C 2.503 180.149 177.584 0.103 0.000 1.199 19 A CA 1.018 53.110 52.037 0.092 0.000 0.615 19 A CB -1.037 18.004 19.000 0.069 0.000 0.838 19 A HN 0.208 nan 8.150 nan 0.000 0.444 20 L N -2.021 119.273 121.223 0.118 0.000 2.043 20 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 20 L C 2.644 179.606 176.870 0.154 0.000 1.075 20 L CA 2.164 57.079 54.840 0.124 0.000 0.752 20 L CB -0.632 41.508 42.059 0.134 0.000 0.891 20 L HN 0.642 nan 8.230 nan 0.000 0.432 21 Y N 0.825 121.175 120.300 0.082 0.000 2.109 21 Y HA -0.248 4.302 4.550 -0.000 0.000 0.285 21 Y C 2.674 178.612 175.900 0.063 0.000 1.131 21 Y CA 1.587 59.739 58.100 0.087 0.000 1.121 21 Y CB -0.186 38.341 38.460 0.111 0.000 0.987 21 Y HN 0.095 nan 8.280 nan 0.000 0.495 22 E N 0.452 120.660 120.200 0.013 0.000 2.086 22 E HA -0.329 4.021 4.350 -0.000 0.000 0.200 22 E C 2.193 178.736 176.600 -0.096 0.000 1.012 22 E CA 1.737 58.093 56.400 -0.074 0.000 0.812 22 E CB -0.509 29.213 29.700 0.037 0.000 0.743 22 E HN 0.677 nan 8.360 nan 0.000 0.453 23 Q N 0.257 120.039 119.800 -0.028 0.000 2.030 23 Q HA -0.134 4.206 4.340 -0.000 0.000 0.204 23 Q C 2.298 178.288 176.000 -0.017 0.000 0.986 23 Q CA 1.892 57.690 55.803 -0.009 0.000 0.843 23 Q CB 0.038 28.790 28.738 0.023 0.000 0.904 23 Q HN 0.103 nan 8.270 nan 0.000 0.420 24 S N -0.100 115.580 115.700 -0.033 0.000 2.368 24 S HA -0.145 4.325 4.470 -0.000 0.000 0.225 24 S C 1.864 176.427 174.600 -0.062 0.000 1.030 24 S CA 1.171 59.373 58.200 0.003 0.000 0.999 24 S CB -0.417 62.779 63.200 -0.006 0.000 0.844 24 S HN 0.434 nan 8.310 nan 0.000 0.459 25 V N 1.718 121.483 119.914 -0.248 0.000 2.407 25 V HA -0.111 4.009 4.120 -0.000 0.000 0.248 25 V C 1.993 177.998 176.094 -0.148 0.000 1.055 25 V CA 1.680 63.819 62.300 -0.268 0.000 1.049 25 V CB -0.406 31.152 31.823 -0.442 0.000 0.662 25 V HN 0.376 nan 8.190 nan 0.000 0.455 26 V N 0.641 120.493 119.914 -0.102 0.000 2.358 26 V HA -0.127 3.993 4.120 -0.000 0.000 0.246 26 V C 2.884 178.978 176.094 0.001 0.000 1.047 26 V CA 1.929 64.200 62.300 -0.049 0.000 1.035 26 V CB -1.167 30.638 31.823 -0.030 0.000 0.658 26 V HN 0.654 nan 8.190 nan 0.000 0.452 27 A N -0.612 122.243 122.820 0.058 0.000 1.933 27 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 27 A C 2.268 180.012 177.584 0.266 0.000 1.175 27 A CA 1.773 53.920 52.037 0.183 0.000 0.628 27 A CB -0.451 18.691 19.000 0.238 0.000 0.814 27 A HN 0.473 nan 8.150 nan 0.000 0.444 28 L N -1.187 120.063 121.223 0.045 0.000 2.044 28 L HA -0.116 4.224 4.340 -0.000 0.000 0.205 28 L C 2.835 179.521 176.870 -0.305 0.000 1.075 28 L CA 1.177 55.749 54.840 -0.446 0.000 0.747 28 L CB -0.312 41.401 42.059 -0.576 0.000 0.903 28 L HN 0.373 nan 8.230 nan 0.000 0.435 29 R N -0.366 120.024 120.500 -0.183 0.000 2.105 29 R HA -0.198 4.142 4.340 -0.000 0.000 0.239 29 R C 2.137 178.375 176.300 -0.103 0.000 1.135 29 R CA 1.511 57.519 56.100 -0.152 0.000 0.967 29 R CB -0.404 29.835 30.300 -0.102 0.000 0.861 29 R HN 0.462 nan 8.270 nan 0.000 0.442 30 N N 0.708 119.386 118.700 -0.037 0.000 2.039 30 N HA -0.159 4.581 4.740 -0.000 0.000 0.193 30 N C 1.702 177.237 175.510 0.043 0.000 1.044 30 N CA 1.737 54.796 53.050 0.014 0.000 0.847 30 N CB -0.118 38.402 38.487 0.054 0.000 1.030 30 N HN 0.196 nan 8.380 nan 0.000 0.422 31 A N 1.396 124.280 122.820 0.107 0.000 1.948 31 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 31 A C 2.377 180.045 177.584 0.140 0.000 1.177 31 A CA 1.078 53.256 52.037 0.234 0.000 0.636 31 A CB -0.659 18.650 19.000 0.516 0.000 0.815 31 A HN 0.398 nan 8.150 nan 0.000 0.449 32 I N -0.677 119.771 120.570 -0.204 0.000 2.252 32 I HA -0.167 4.003 4.170 -0.000 0.000 0.245 32 I C 2.697 178.757 176.117 -0.096 0.000 1.102 32 I CA 1.025 62.082 61.300 -0.404 0.000 1.385 32 I CB -0.664 37.008 38.000 -0.546 0.000 1.064 32 I HN 0.404 nan 8.210 nan 0.000 0.414 33 G N 0.934 109.700 108.800 -0.058 0.000 2.421 33 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 33 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 33 G C 1.358 176.274 174.900 0.027 0.000 1.171 33 G CA 0.856 45.945 45.100 -0.018 0.000 0.775 33 G HN 0.307 nan 8.290 nan 0.000 0.543 34 N N -0.405 118.334 118.700 0.066 0.000 2.104 34 N HA -0.147 4.593 4.740 -0.000 0.000 0.190 34 N C 1.752 177.325 175.510 0.104 0.000 1.024 34 N CA 1.232 54.331 53.050 0.081 0.000 0.853 34 N CB -0.508 38.045 38.487 0.110 0.000 1.008 34 N HN 0.481 nan 8.380 nan 0.000 0.424 35 Y N 1.197 121.547 120.300 0.083 0.000 2.163 35 Y HA -0.031 4.519 4.550 -0.000 0.000 0.288 35 Y C 1.992 177.918 175.900 0.044 0.000 1.136 35 Y CA 1.320 59.482 58.100 0.104 0.000 1.147 35 Y CB -0.348 38.283 38.460 0.286 0.000 0.987 35 Y HN 0.006 nan 8.280 nan 0.000 0.509 36 I N -0.153 120.446 120.570 0.048 0.000 2.208 36 I HA -0.341 3.829 4.170 -0.000 0.000 0.245 36 I C 2.433 178.484 176.117 -0.110 0.000 1.097 36 I CA 2.042 63.312 61.300 -0.050 0.000 1.363 36 I CB -0.710 37.291 38.000 0.002 0.000 1.051 36 I HN 0.442 nan 8.210 nan 0.000 0.413 37 T N -2.586 111.922 114.554 -0.076 0.000 2.901 37 T HA -0.028 4.322 4.350 -0.000 0.000 0.252 37 T C 1.543 176.187 174.700 -0.093 0.000 1.035 37 T CA 0.938 62.995 62.100 -0.070 0.000 1.142 37 T CB -0.336 68.509 68.868 -0.039 0.000 0.869 37 T HN 0.355 nan 8.240 nan 0.000 0.442 38 S N -0.017 115.626 115.700 -0.096 0.000 2.663 38 S HA 0.532 5.002 4.470 -0.000 0.000 0.243 38 S C 1.614 176.126 174.600 -0.146 0.000 1.009 38 S CA 0.139 58.280 58.200 -0.097 0.000 0.988 38 S CB -0.177 62.992 63.200 -0.052 0.000 0.896 38 S HN 1.163 nan 8.310 nan 0.000 0.502 39 G N 1.772 110.399 108.800 -0.288 0.000 2.269 39 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.277 39 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.277 39 G C -0.126 174.678 174.900 -0.159 0.000 1.008 39 G CA 0.736 45.574 45.100 -0.438 0.000 0.774 39 G HN 0.802 nan 8.290 nan 0.000 0.511 40 E N -0.396 119.784 120.200 -0.034 0.000 2.338 40 E HA 0.482 4.832 4.350 -0.000 0.000 0.272 40 E C 0.049 176.730 176.600 0.136 0.000 1.029 40 E CA -0.813 55.608 56.400 0.036 0.000 0.872 40 E CB 0.309 30.029 29.700 0.033 0.000 1.015 40 E HN 0.128 nan 8.360 nan 0.000 0.417 41 L N 5.319 126.546 121.223 0.006 0.000 2.334 41 L HA 0.477 4.817 4.340 -0.000 0.000 0.270 41 L C -2.040 174.803 176.870 -0.044 0.000 1.018 41 L CA -1.904 52.879 54.840 -0.095 0.000 0.811 41 L CB 0.780 42.648 42.059 -0.319 0.000 1.271 41 L HN 0.604 nan 8.230 nan 0.000 0.443 42 P HA 0.206 nan 4.420 nan 0.000 0.274 42 P C -1.463 175.808 177.300 -0.048 0.000 1.246 42 P CA -0.568 62.546 63.100 0.025 0.000 0.795 42 P CB 0.378 32.165 31.700 0.145 0.000 1.006 43 D N 1.320 121.687 120.400 -0.056 0.000 2.249 43 D HA 0.021 4.661 4.640 -0.000 0.000 0.246 43 D C 0.552 176.803 176.300 -0.083 0.000 1.114 43 D CA -0.375 53.586 54.000 -0.064 0.000 0.854 43 D CB 1.178 41.946 40.800 -0.053 0.000 1.132 43 D HN 0.220 nan 8.370 nan 0.000 0.461 44 E N 2.607 122.768 120.200 -0.064 0.000 2.114 44 E HA -0.272 4.078 4.350 -0.000 0.000 0.199 44 E C 1.405 177.965 176.600 -0.068 0.000 1.008 44 E CA 1.265 57.630 56.400 -0.059 0.000 0.810 44 E CB -0.275 29.404 29.700 -0.037 0.000 0.739 44 E HN 0.648 nan 8.360 nan 0.000 0.456 45 N N 0.678 119.342 118.700 -0.061 0.000 2.084 45 N HA -0.149 4.591 4.740 -0.000 0.000 0.190 45 N C 1.700 177.163 175.510 -0.079 0.000 1.030 45 N CA 1.967 54.983 53.050 -0.057 0.000 0.849 45 N CB -0.241 38.219 38.487 -0.044 0.000 1.012 45 N HN 0.144 nan 8.380 nan 0.000 0.423 46 A N 0.778 123.537 122.820 -0.103 0.000 1.883 46 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 46 A C 2.228 179.693 177.584 -0.198 0.000 1.186 46 A CA 1.536 53.490 52.037 -0.138 0.000 0.624 46 A CB -0.626 18.280 19.000 -0.156 0.000 0.822 46 A HN 0.391 nan 8.150 nan 0.000 0.444 47 R N -0.483 119.863 120.500 -0.256 0.000 2.083 47 R HA -0.142 4.198 4.340 -0.000 0.000 0.237 47 R C 2.258 178.473 176.300 -0.142 0.000 1.137 47 R CA 1.629 57.553 56.100 -0.293 0.000 0.951 47 R CB -0.357 29.796 30.300 -0.244 0.000 0.851 47 R HN 0.558 nan 8.270 nan 0.000 0.434 48 K N 0.669 121.013 120.400 -0.094 0.000 2.519 48 K HA -0.174 4.146 4.320 -0.000 0.000 0.196 48 K C 1.339 177.910 176.600 -0.049 0.000 1.041 48 K CA 1.025 57.279 56.287 -0.054 0.000 0.954 48 K CB 0.223 32.699 32.500 -0.041 0.000 0.774 48 K HN -0.027 nan 8.250 nan 0.000 0.480 49 Q N -0.680 119.080 119.800 -0.067 0.000 2.219 49 Q HA 0.167 4.507 4.340 -0.000 0.000 0.209 49 Q C 0.089 176.064 176.000 -0.042 0.000 0.854 49 Q CA 0.613 56.388 55.803 -0.048 0.000 0.960 49 Q CB 1.123 29.831 28.738 -0.050 0.000 1.116 49 Q HN 0.421 nan 8.270 nan 0.000 0.500 50 G N 0.466 109.234 108.800 -0.054 0.000 2.167 50 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.194 50 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.194 50 G C 0.353 175.224 174.900 -0.048 0.000 1.027 50 G CA 0.338 45.423 45.100 -0.025 0.000 0.717 50 G HN 0.337 nan 8.290 nan 0.000 0.501 51 L N -0.553 120.574 121.223 -0.161 0.000 2.027 51 L HA 0.370 4.710 4.340 -0.000 0.000 0.206 51 L C 2.023 178.857 176.870 -0.060 0.000 1.074 51 L CA 2.182 56.877 54.840 -0.242 0.000 0.745 51 L CB -0.336 41.371 42.059 -0.586 0.000 0.898 51 L HN 0.389 nan 8.230 nan 0.000 0.433 52 F N -1.647 118.308 119.950 0.009 0.000 2.654 52 F HA 0.259 4.786 4.527 -0.000 0.000 0.303 52 F C 0.588 176.361 175.800 -0.045 0.000 1.099 52 F CA -0.936 57.055 58.000 -0.015 0.000 1.270 52 F CB 0.364 39.379 39.000 0.025 0.000 1.024 52 F HN -0.278 nan 8.300 nan 0.000 0.548 53 V N 0.639 120.635 119.914 0.137 0.000 2.775 53 V HA -0.003 4.117 4.120 -0.000 0.000 0.299 53 V C 0.029 176.203 176.094 0.134 0.000 1.062 53 V CA -0.506 61.870 62.300 0.126 0.000 1.063 53 V CB 0.636 32.527 31.823 0.115 0.000 0.994 53 V HN 0.088 nan 8.190 nan 0.000 0.483 54 Y N 4.354 124.778 120.300 0.206 0.000 2.326 54 Y HA 0.269 4.819 4.550 -0.000 0.000 0.333 54 Y C -1.791 174.216 175.900 0.178 0.000 1.240 54 Y CA -1.614 56.623 58.100 0.229 0.000 1.365 54 Y CB 0.480 39.066 38.460 0.209 0.000 1.289 54 Y HN 0.478 nan 8.280 nan 0.000 0.548 55 P HA 0.062 nan 4.420 nan 0.000 0.272 55 P C -1.053 176.353 177.300 0.177 0.000 1.230 55 P CA -0.301 62.936 63.100 0.228 0.000 0.788 55 P CB 0.907 32.733 31.700 0.211 0.000 0.949 56 S N 1.400 117.173 115.700 0.122 0.000 2.519 56 S HA 0.590 5.060 4.470 -0.000 0.000 0.309 56 S C -1.298 173.339 174.600 0.061 0.000 1.100 56 S CA -0.627 57.620 58.200 0.079 0.000 1.059 56 S CB -0.068 63.172 63.200 0.066 0.000 1.008 56 S HN 0.284 nan 8.310 nan 0.000 0.478 57 L N 5.227 126.472 121.223 0.037 0.000 2.287 57 L HA 0.716 5.056 4.340 -0.000 0.000 0.287 57 L C -0.574 176.314 176.870 0.030 0.000 1.022 57 L CA 0.379 55.245 54.840 0.043 0.000 0.814 57 L CB 1.591 43.685 42.059 0.060 0.000 1.217 57 L HN 0.687 nan 8.230 nan 0.000 0.420 58 T N 4.347 118.938 114.554 0.061 0.000 2.841 58 T HA 0.704 5.054 4.350 -0.000 0.000 0.283 58 T C -1.022 173.751 174.700 0.121 0.000 1.000 58 T CA -0.461 61.705 62.100 0.111 0.000 0.977 58 T CB 1.740 70.716 68.868 0.181 0.000 0.979 58 T HN 0.324 nan 8.240 nan 0.000 0.446 59 V N 3.207 123.237 119.914 0.193 0.000 2.531 59 V HA 0.566 4.686 4.120 -0.000 0.000 0.301 59 V C -0.080 176.216 176.094 0.337 0.000 1.034 59 V CA -0.713 61.732 62.300 0.242 0.000 0.865 59 V CB 2.084 34.064 31.823 0.262 0.000 0.995 59 V HN 1.002 nan 8.190 nan 0.000 0.424 60 T N 3.781 118.510 114.554 0.291 0.000 2.888 60 T HA 0.575 4.925 4.350 -0.000 0.000 0.284 60 T C -1.424 173.386 174.700 0.183 0.000 1.017 60 T CA -0.386 61.865 62.100 0.251 0.000 1.022 60 T CB 1.739 70.750 68.868 0.240 0.000 1.013 60 T HN 0.682 nan 8.240 nan 0.000 0.465 61 W N 3.934 125.113 121.300 -0.202 0.000 2.900 61 W HA 0.363 5.023 4.660 -0.000 0.000 0.336 61 W C 0.489 176.906 176.519 -0.170 0.000 1.064 61 W CA -1.420 55.715 57.345 -0.351 0.000 1.237 61 W CB 1.224 30.062 29.460 -1.035 0.000 1.391 61 W HN 0.783 nan 8.180 nan 0.000 0.468 62 D N 2.386 122.471 120.400 -0.524 0.000 2.224 62 D HA 0.045 4.685 4.640 -0.000 0.000 0.205 62 D C 1.501 177.278 176.300 -0.872 0.000 0.965 62 D CA 1.365 55.048 54.000 -0.528 0.000 0.852 62 D CB 0.017 40.621 40.800 -0.328 0.000 0.947 62 D HN 0.876 nan 8.370 nan 0.000 0.494 63 G N -0.099 107.559 108.800 -1.904 0.000 2.238 63 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 63 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 63 G C 0.245 174.582 174.900 -0.937 0.000 0.996 63 G CA 0.162 44.086 45.100 -1.961 0.000 0.632 63 G HN 0.411 nan 8.290 nan 0.000 0.503 64 S N 1.378 116.756 115.700 -0.538 0.000 2.489 64 S HA 0.708 5.178 4.470 -0.000 0.000 0.277 64 S C -0.082 174.564 174.600 0.077 0.000 1.230 64 S CA 0.472 58.584 58.200 -0.146 0.000 1.053 64 S CB 1.693 64.819 63.200 -0.123 0.000 0.955 64 S HN 0.630 nan 8.310 nan 0.000 0.488 65 T N 2.052 116.695 114.554 0.148 0.000 3.225 65 T HA 0.184 4.534 4.350 -0.000 0.000 0.356 65 T C 1.056 175.802 174.700 0.076 0.000 1.460 65 T CA -0.783 61.412 62.100 0.158 0.000 1.126 65 T CB 1.461 70.487 68.868 0.262 0.000 1.321 65 T HN 0.452 nan 8.240 nan 0.000 0.478 66 T N 2.556 117.126 114.554 0.026 0.000 2.428 66 T HA -0.124 4.226 4.350 -0.000 0.000 0.248 66 T C 0.881 175.582 174.700 0.003 0.000 1.284 66 T CA 1.608 63.712 62.100 0.006 0.000 1.217 66 T CB -0.293 68.568 68.868 -0.013 0.000 0.864 66 T HN 0.812 nan 8.240 nan 0.000 0.402 67 N N 1.877 120.560 118.700 -0.028 0.000 2.648 67 N HA 0.356 5.096 4.740 -0.000 0.000 0.261 67 N C -3.535 171.918 175.510 -0.095 0.000 1.138 67 N CA -1.285 51.744 53.050 -0.036 0.000 0.804 67 N CB 1.165 39.633 38.487 -0.031 0.000 1.237 67 N HN 0.158 nan 8.380 nan 0.000 0.532 68 P HA 0.291 nan 4.420 nan 0.000 0.271 68 P C -2.546 174.644 177.300 -0.183 0.000 1.233 68 P CA -0.835 62.091 63.100 -0.291 0.000 0.789 68 P CB -0.126 31.403 31.700 -0.285 0.000 0.951 69 P HA 0.055 nan 4.420 nan 0.000 0.267 69 P C 0.345 177.602 177.300 -0.072 0.000 1.328 69 P CA 0.208 63.234 63.100 -0.124 0.000 0.990 69 P CB 0.101 31.723 31.700 -0.130 0.000 1.168 70 K N 0.997 121.363 120.400 -0.057 0.000 2.365 70 K HA 0.005 4.325 4.320 -0.000 0.000 0.197 70 K C 1.405 177.975 176.600 -0.050 0.000 1.042 70 K CA 1.145 57.412 56.287 -0.034 0.000 0.987 70 K CB -0.359 32.130 32.500 -0.017 0.000 0.779 70 K HN 0.433 nan 8.250 nan 0.000 0.484 71 T N -2.437 112.075 114.554 -0.070 0.000 2.990 71 T HA 0.129 4.479 4.350 -0.000 0.000 0.250 71 T C 1.015 175.647 174.700 -0.112 0.000 1.041 71 T CA -0.392 61.662 62.100 -0.077 0.000 1.010 71 T CB 0.360 69.189 68.868 -0.065 0.000 1.003 71 T HN -0.023 nan 8.240 nan 0.000 0.499 72 R N 0.815 121.222 120.500 -0.155 0.000 2.623 72 R HA 0.450 4.790 4.340 -0.000 0.000 0.271 72 R C 1.500 177.646 176.300 -0.255 0.000 1.043 72 R CA 0.476 56.419 56.100 -0.261 0.000 1.083 72 R CB 0.279 30.376 30.300 -0.338 0.000 0.974 72 R HN 0.266 nan 8.270 nan 0.000 0.436 73 A N 4.874 127.509 122.820 -0.308 0.000 1.970 73 A HA 0.045 4.365 4.320 -0.000 0.000 0.216 73 A C 0.229 177.794 177.584 -0.031 0.000 1.170 73 A CA 0.852 52.819 52.037 -0.117 0.000 0.645 73 A CB -0.244 18.791 19.000 0.059 0.000 0.816 73 A HN 0.662 nan 8.150 nan 0.000 0.447 74 F N -4.880 115.046 119.950 -0.040 0.000 2.790 74 F HA 0.661 5.188 4.527 -0.000 0.000 0.337 74 F C 0.861 176.582 175.800 -0.132 0.000 1.163 74 F CA -1.316 56.642 58.000 -0.070 0.000 0.997 74 F CB 0.402 39.380 39.000 -0.036 0.000 1.437 74 F HN 0.417 nan 8.300 nan 0.000 0.512 75 G N 1.270 110.161 108.800 0.152 0.000 2.323 75 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.292 75 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.292 75 G C -0.305 174.412 174.900 -0.304 0.000 1.040 75 G CA 0.218 45.275 45.100 -0.071 0.000 0.942 75 G HN 0.791 nan 8.290 nan 0.000 0.506 76 R N -1.745 118.496 120.500 -0.432 0.000 2.888 76 R HA 0.756 5.096 4.340 -0.000 0.000 0.266 76 R C -0.988 174.770 176.300 -0.904 0.000 1.020 76 R CA -0.904 54.887 56.100 -0.516 0.000 0.963 76 R CB 1.139 31.309 30.300 -0.216 0.000 1.197 76 R HN 0.059 nan 8.270 nan 0.000 0.481 77 F N -0.468 119.024 119.950 -0.764 0.000 2.482 77 F HA 0.296 4.823 4.527 -0.000 0.000 0.331 77 F C 1.124 176.711 175.800 -0.354 0.000 1.115 77 F CA -0.486 57.040 58.000 -0.790 0.000 0.955 77 F CB 2.343 40.535 39.000 -1.347 0.000 1.136 77 F HN 0.467 nan 8.300 nan 0.000 0.452 78 T N 0.613 115.163 114.554 -0.006 0.000 3.057 78 T HA 0.050 4.400 4.350 -0.000 0.000 0.254 78 T C -0.512 174.396 174.700 0.345 0.000 1.094 78 T CA 0.798 62.988 62.100 0.149 0.000 1.088 78 T CB -0.362 68.625 68.868 0.197 0.000 0.934 78 T HN 0.749 nan 8.240 nan 0.000 0.497 79 H N -1.705 117.639 119.070 0.456 0.000 2.932 79 H HA 0.724 5.279 4.556 -0.000 0.000 0.307 79 H C -0.971 174.719 175.328 0.603 0.000 1.391 79 H CA -1.168 55.162 56.048 0.470 0.000 1.130 79 H CB 0.436 30.369 29.762 0.285 0.000 1.836 79 H HN -0.025 nan 8.280 nan 0.000 0.522 80 A N 0.319 123.442 122.820 0.505 0.000 2.304 80 A HA 0.790 5.110 4.320 -0.000 0.000 0.271 80 A C 0.887 178.651 177.584 0.300 0.000 1.091 80 A CA 0.454 52.638 52.037 0.245 0.000 0.812 80 A CB -0.360 18.551 19.000 -0.149 0.000 1.056 80 A HN 1.837 nan 8.150 nan 0.000 0.489 81 G N -0.738 108.151 108.800 0.149 0.000 2.340 81 G HA2 0.393 4.353 3.960 -0.000 0.000 0.282 81 G HA3 0.393 4.353 3.960 -0.000 0.000 0.282 81 G C -0.679 174.221 174.900 -0.001 0.000 1.312 81 G CA -0.173 44.946 45.100 0.032 0.000 0.942 81 G HN 1.183 nan 8.290 nan 0.000 0.495 82 S N -0.469 115.164 115.700 -0.111 0.000 2.475 82 S HA 0.764 5.234 4.470 -0.000 0.000 0.298 82 S C -1.435 173.125 174.600 -0.066 0.000 1.119 82 S CA -0.269 57.957 58.200 0.043 0.000 1.085 82 S CB 1.096 64.330 63.200 0.056 0.000 1.028 82 S HN 0.493 nan 8.310 nan 0.000 0.489 83 Y N 0.798 121.235 120.300 0.230 0.000 2.361 83 Y HA 0.591 5.141 4.550 -0.000 0.000 0.337 83 Y C 0.596 176.518 175.900 0.037 0.000 0.965 83 Y CA -0.604 57.570 58.100 0.125 0.000 1.091 83 Y CB 2.006 40.500 38.460 0.058 0.000 1.182 83 Y HN 0.556 nan 8.280 nan 0.000 0.450 84 T N 1.107 115.682 114.554 0.035 0.000 2.907 84 T HA 0.800 5.150 4.350 -0.000 0.000 0.290 84 T C -1.185 173.423 174.700 -0.154 0.000 1.066 84 T CA -0.415 61.628 62.100 -0.096 0.000 1.012 84 T CB 1.860 70.549 68.868 -0.298 0.000 1.184 84 T HN 0.686 nan 8.240 nan 0.000 0.522 85 T N 1.072 115.543 114.554 -0.137 0.000 3.128 85 T HA 0.476 4.826 4.350 -0.000 0.000 0.363 85 T C -0.658 173.994 174.700 -0.081 0.000 1.610 85 T CA -0.265 61.757 62.100 -0.129 0.000 1.126 85 T CB 0.769 69.543 68.868 -0.158 0.000 1.416 85 T HN 0.996 nan 8.240 nan 0.000 0.480 86 T N 2.750 117.252 114.554 -0.086 0.000 2.868 86 T HA 0.746 5.096 4.350 -0.000 0.000 0.292 86 T C 0.215 174.846 174.700 -0.116 0.000 1.028 86 T CA -0.638 61.425 62.100 -0.061 0.000 1.059 86 T CB 0.411 69.209 68.868 -0.116 0.000 0.991 86 T HN 0.588 nan 8.240 nan 0.000 0.531 87 I N 0.503 121.040 120.570 -0.056 0.000 2.769 87 I HA 0.503 4.673 4.170 -0.000 0.000 0.298 87 I C -0.057 176.035 176.117 -0.042 0.000 1.128 87 I CA -0.820 60.432 61.300 -0.079 0.000 1.031 87 I CB 2.652 40.645 38.000 -0.012 0.000 1.235 87 I HN 0.771 nan 8.210 nan 0.000 0.423 88 T N 3.880 118.336 114.554 -0.163 0.000 2.901 88 T HA 0.416 4.766 4.350 -0.000 0.000 0.293 88 T C -0.568 173.909 174.700 -0.373 0.000 1.084 88 T CA -0.469 61.492 62.100 -0.233 0.000 1.008 88 T CB 0.972 69.856 68.868 0.026 0.000 1.170 88 T HN 0.616 nan 8.240 nan 0.000 0.509 89 R N 1.303 121.325 120.500 -0.796 0.000 3.038 89 R HA -0.133 4.207 4.340 -0.000 0.000 0.242 89 R C -2.335 173.933 176.300 -0.053 0.000 0.866 89 R CA 0.356 56.264 56.100 -0.320 0.000 0.601 89 R CB -1.917 28.392 30.300 0.016 0.000 1.107 89 R HN 0.578 nan 8.270 nan 0.000 0.492 90 P HA -0.103 nan 4.420 nan 0.000 0.218 90 P C 1.282 178.625 177.300 0.072 0.000 1.148 90 P CA 1.116 64.238 63.100 0.036 0.000 0.822 90 P CB 0.219 31.936 31.700 0.028 0.000 0.784 91 T N -0.015 114.566 114.554 0.045 0.000 2.737 91 T HA -0.125 4.225 4.350 -0.000 0.000 0.265 91 T C 1.641 176.328 174.700 -0.021 0.000 1.038 91 T CA 0.975 63.093 62.100 0.029 0.000 1.144 91 T CB -0.957 67.934 68.868 0.038 0.000 0.866 91 T HN 0.018 nan 8.240 nan 0.000 0.434 92 L N 0.410 121.585 121.223 -0.080 0.000 2.079 92 L HA 0.048 4.388 4.340 -0.000 0.000 0.210 92 L C 1.106 177.726 176.870 -0.415 0.000 1.081 92 L CA 1.765 56.443 54.840 -0.270 0.000 0.752 92 L CB -0.649 41.170 42.059 -0.399 0.000 0.896 92 L HN 0.205 nan 8.230 nan 0.000 0.433 93 F N -1.238 118.695 119.950 -0.029 0.000 2.639 93 F HA 0.254 4.781 4.527 -0.000 0.000 0.300 93 F C 2.028 177.854 175.800 0.043 0.000 1.109 93 F CA -0.183 57.826 58.000 0.014 0.000 1.335 93 F CB -0.320 38.695 39.000 0.026 0.000 1.014 93 F HN -0.014 nan 8.300 nan 0.000 0.537 94 R N 0.657 121.220 120.500 0.105 0.000 2.122 94 R HA -0.188 4.152 4.340 -0.000 0.000 0.236 94 R C 2.256 178.586 176.300 0.050 0.000 1.129 94 R CA 2.429 58.569 56.100 0.066 0.000 0.925 94 R CB -0.752 29.567 30.300 0.030 0.000 0.850 94 R HN 0.139 nan 8.270 nan 0.000 0.431 95 S N -0.518 115.209 115.700 0.044 0.000 2.359 95 S HA -0.237 4.233 4.470 -0.000 0.000 0.222 95 S C 1.641 176.254 174.600 0.022 0.000 1.038 95 S CA 1.584 59.800 58.200 0.027 0.000 1.051 95 S CB -0.816 62.403 63.200 0.032 0.000 0.944 95 S HN 0.475 nan 8.310 nan 0.000 0.433 96 Y N 2.380 122.653 120.300 -0.045 0.000 2.030 96 Y HA -0.196 4.354 4.550 -0.000 0.000 0.274 96 Y C 2.087 177.880 175.900 -0.179 0.000 1.153 96 Y CA 1.519 59.566 58.100 -0.088 0.000 1.115 96 Y CB -0.751 37.729 38.460 0.033 0.000 0.969 96 Y HN 0.130 nan 8.280 nan 0.000 0.488 97 L N 0.180 121.336 121.223 -0.113 0.000 2.043 97 L HA -0.296 4.044 4.340 -0.000 0.000 0.212 97 L C 2.356 179.045 176.870 -0.301 0.000 1.075 97 L CA 1.881 56.553 54.840 -0.281 0.000 0.752 97 L CB -0.817 41.237 42.059 -0.008 0.000 0.891 97 L HN 0.358 nan 8.230 nan 0.000 0.432 98 N N 0.230 118.830 118.700 -0.168 0.000 2.039 98 N HA -0.268 4.472 4.740 -0.000 0.000 0.193 98 N C 1.833 177.231 175.510 -0.186 0.000 1.044 98 N CA 1.796 54.764 53.050 -0.138 0.000 0.847 98 N CB -0.090 38.353 38.487 -0.074 0.000 1.030 98 N HN 0.276 nan 8.380 nan 0.000 0.422 99 E N -0.591 119.483 120.200 -0.210 0.000 2.070 99 E HA -0.272 4.078 4.350 -0.000 0.000 0.197 99 E C 1.719 178.145 176.600 -0.289 0.000 1.004 99 E CA 1.214 57.490 56.400 -0.205 0.000 0.805 99 E CB -0.030 29.553 29.700 -0.195 0.000 0.744 99 E HN 0.427 nan 8.360 nan 0.000 0.451 100 Q N 0.268 119.734 119.800 -0.558 0.000 2.084 100 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 100 Q C 2.466 178.230 176.000 -0.393 0.000 0.978 100 Q CA 1.033 56.423 55.803 -0.690 0.000 0.844 100 Q CB -0.347 27.439 28.738 -1.587 0.000 0.898 100 Q HN 0.424 nan 8.270 nan 0.000 0.426 101 L N 0.203 121.233 121.223 -0.321 0.000 2.093 101 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 101 L C 2.327 179.204 176.870 0.011 0.000 1.085 101 L CA 1.204 56.004 54.840 -0.067 0.000 0.755 101 L CB -0.551 41.472 42.059 -0.059 0.000 0.904 101 L HN 0.215 nan 8.230 nan 0.000 0.435 102 T N 0.319 114.854 114.554 -0.032 0.000 2.708 102 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 102 T C 1.978 176.745 174.700 0.111 0.000 1.037 102 T CA 1.167 63.300 62.100 0.056 0.000 1.146 102 T CB -0.228 68.646 68.868 0.011 0.000 0.865 102 T HN 0.180 nan 8.240 nan 0.000 0.435 103 L N 0.509 121.756 121.223 0.040 0.000 2.012 103 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 103 L C 2.496 179.442 176.870 0.126 0.000 1.073 103 L CA 1.369 56.243 54.840 0.057 0.000 0.748 103 L CB -0.648 41.420 42.059 0.016 0.000 0.891 103 L HN 0.271 nan 8.230 nan 0.000 0.431 104 L N -2.070 119.223 121.223 0.116 0.000 2.141 104 L HA -0.229 4.111 4.340 -0.000 0.000 0.209 104 L C 2.557 179.633 176.870 0.343 0.000 1.094 104 L CA 0.963 55.920 54.840 0.195 0.000 0.763 104 L CB -0.637 41.492 42.059 0.117 0.000 0.908 104 L HN 0.216 nan 8.230 nan 0.000 0.437 105 Y N 1.192 121.583 120.300 0.151 0.000 2.184 105 Y HA -0.211 4.339 4.550 -0.000 0.000 0.290 105 Y C 2.672 178.655 175.900 0.139 0.000 1.129 105 Y CA 1.575 59.764 58.100 0.147 0.000 1.144 105 Y CB -0.090 38.427 38.460 0.095 0.000 0.995 105 Y HN 0.167 nan 8.280 nan 0.000 0.513 106 Q N -0.960 118.934 119.800 0.158 0.000 2.269 106 Q HA -0.078 4.262 4.340 -0.000 0.000 0.201 106 Q C 1.028 177.036 176.000 0.013 0.000 0.946 106 Q CA 1.363 57.188 55.803 0.036 0.000 0.877 106 Q CB 0.090 28.878 28.738 0.083 0.000 0.963 106 Q HN 0.472 nan 8.270 nan 0.000 0.472 107 D N -1.056 119.380 120.400 0.060 0.000 2.327 107 D HA -0.019 4.621 4.640 -0.000 0.000 0.205 107 D C 0.427 176.616 176.300 -0.185 0.000 0.989 107 D CA 0.802 54.764 54.000 -0.064 0.000 0.873 107 D CB 0.321 41.078 40.800 -0.071 0.000 0.955 107 D HN 0.228 nan 8.370 nan 0.000 0.515 108 Y N -0.877 119.452 120.300 0.047 0.000 2.499 108 Y HA 0.321 4.871 4.550 -0.000 0.000 0.253 108 Y C 1.304 177.329 175.900 0.208 0.000 1.105 108 Y CA -0.120 58.055 58.100 0.125 0.000 1.240 108 Y CB 0.941 39.366 38.460 -0.057 0.000 1.289 108 Y HN -0.085 nan 8.280 nan 0.000 0.534 109 G N 1.710 110.635 108.800 0.208 0.000 2.350 109 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.298 109 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.298 109 G C 0.147 175.177 174.900 0.217 0.000 1.037 109 G CA 0.155 45.296 45.100 0.069 0.000 1.074 109 G HN 0.607 nan 8.290 nan 0.000 0.511 110 A N 0.126 123.129 122.820 0.305 0.000 2.322 110 A HA 0.654 4.973 4.320 -0.000 0.000 0.269 110 A C 0.281 178.092 177.584 0.379 0.000 1.094 110 A CA -0.143 52.112 52.037 0.364 0.000 0.807 110 A CB 0.520 19.760 19.000 0.401 0.000 1.047 110 A HN 1.297 nan 8.150 nan 0.000 0.487 111 H N 1.924 121.135 119.070 0.234 0.000 2.846 111 H HA 0.497 5.053 4.556 -0.000 0.000 0.278 111 H C -0.452 175.002 175.328 0.210 0.000 1.117 111 H CA -0.356 55.817 56.048 0.208 0.000 1.406 111 H CB -0.307 29.538 29.762 0.140 0.000 1.445 111 H HN 0.452 nan 8.280 nan 0.000 0.469 112 I N 4.202 124.703 120.570 -0.115 0.000 2.440 112 I HA 0.281 4.451 4.170 -0.000 0.000 0.294 112 I C -0.102 175.824 176.117 -0.318 0.000 0.995 112 I CA -0.483 60.738 61.300 -0.132 0.000 1.306 112 I CB 1.336 39.326 38.000 -0.018 0.000 1.407 112 I HN 0.702 nan 8.210 nan 0.000 0.501 113 S N 4.295 119.895 115.700 -0.167 0.000 2.543 113 S HA 0.693 5.163 4.470 -0.000 0.000 0.273 113 S C -1.120 173.480 174.600 0.001 0.000 1.152 113 S CA -0.803 57.337 58.200 -0.101 0.000 0.910 113 S CB 1.665 64.806 63.200 -0.099 0.000 1.105 113 S HN 0.267 nan 8.310 nan 0.000 0.465 114 V N 3.461 123.390 119.914 0.024 0.000 2.680 114 V HA 0.898 5.018 4.120 -0.000 0.000 0.309 114 V C -0.913 175.218 176.094 0.063 0.000 1.052 114 V CA -0.404 61.926 62.300 0.050 0.000 0.908 114 V CB 1.599 33.453 31.823 0.051 0.000 1.001 114 V HN 1.091 nan 8.190 nan 0.000 0.431 115 Q N 3.055 122.899 119.800 0.074 0.000 2.647 115 Q HA 0.455 4.795 4.340 -0.000 0.000 0.283 115 Q C -3.339 172.712 176.000 0.084 0.000 0.943 115 Q CA -2.040 53.808 55.803 0.075 0.000 0.813 115 Q CB 1.383 30.166 28.738 0.075 0.000 1.477 115 Q HN 0.375 nan 8.270 nan 0.000 0.393 116 P HA 0.064 nan 4.420 nan 0.000 0.266 116 P C -0.119 177.229 177.300 0.080 0.000 1.195 116 P CA 0.523 63.675 63.100 0.088 0.000 0.768 116 P CB 0.733 32.472 31.700 0.065 0.000 0.838 117 S N 2.612 118.376 115.700 0.107 0.000 2.646 117 S HA 0.208 4.678 4.470 -0.000 0.000 0.273 117 S C 0.642 175.245 174.600 0.006 0.000 1.168 117 S CA -0.297 57.949 58.200 0.076 0.000 1.013 117 S CB 0.487 63.790 63.200 0.172 0.000 1.098 117 S HN 0.323 nan 8.310 nan 0.000 0.544 118 Q N 0.186 119.896 119.800 -0.150 0.000 2.198 118 Q HA 0.252 4.592 4.340 -0.000 0.000 0.209 118 Q C -0.643 175.163 176.000 -0.323 0.000 0.848 118 Q CA 0.118 55.776 55.803 -0.241 0.000 0.974 118 Q CB 0.006 28.558 28.738 -0.310 0.000 1.115 118 Q HN 0.635 nan 8.270 nan 0.000 0.494 119 H N 0.688 119.850 119.070 0.152 0.000 2.511 119 H HA 0.357 4.913 4.556 -0.000 0.000 0.328 119 H C -0.153 175.343 175.328 0.279 0.000 1.044 119 H CA -0.229 55.949 56.048 0.216 0.000 1.212 119 H CB 1.204 31.110 29.762 0.240 0.000 1.428 119 H HN 0.057 nan 8.280 nan 0.000 0.483 120 E N 2.796 123.190 120.200 0.323 0.000 2.313 120 E HA 0.256 4.606 4.350 -0.000 0.000 0.272 120 E C 0.221 176.925 176.600 0.172 0.000 1.038 120 E CA -0.636 55.904 56.400 0.232 0.000 0.863 120 E CB 1.759 31.609 29.700 0.251 0.000 1.060 120 E HN 0.438 nan 8.360 nan 0.000 0.402 121 I N 4.063 124.577 120.570 -0.093 0.000 2.452 121 I HA 0.098 4.268 4.170 -0.000 0.000 0.287 121 I C -2.120 173.996 176.117 -0.002 0.000 1.079 121 I CA -1.961 59.199 61.300 -0.233 0.000 1.387 121 I CB 0.279 38.010 38.000 -0.448 0.000 1.404 121 I HN 0.131 nan 8.210 nan 0.000 0.522 122 P HA -0.077 nan 4.420 nan 0.000 0.267 122 P C 0.263 177.406 177.300 -0.262 0.000 1.209 122 P CA 0.016 63.045 63.100 -0.118 0.000 0.763 122 P CB 0.239 31.790 31.700 -0.249 0.000 0.816 123 Y N 5.748 125.915 120.300 -0.221 0.000 2.181 123 Y HA -0.165 4.385 4.550 -0.000 0.000 0.284 123 Y C -1.119 174.614 175.900 -0.279 0.000 1.179 123 Y CA 1.412 59.339 58.100 -0.287 0.000 1.179 123 Y CB -2.957 35.292 38.460 -0.352 0.000 0.973 123 Y HN 0.351 nan 8.280 nan 0.000 0.519 124 P HA -0.159 nan 4.420 nan 0.000 0.221 124 P C 0.552 177.659 177.300 -0.320 0.000 1.145 124 P CA 1.631 64.335 63.100 -0.659 0.000 0.795 124 P CB -0.294 30.876 31.700 -0.882 0.000 0.775 125 Y N -1.541 118.684 120.300 -0.125 0.000 2.490 125 Y HA 0.080 4.630 4.550 -0.000 0.000 0.281 125 Y C 1.746 177.626 175.900 -0.033 0.000 1.174 125 Y CA -0.321 57.751 58.100 -0.048 0.000 1.295 125 Y CB -0.906 37.568 38.460 0.023 0.000 1.062 125 Y HN -0.086 nan 8.280 nan 0.000 0.522 126 V N -3.621 116.319 119.914 0.044 0.000 3.528 126 V HA 0.325 4.445 4.120 -0.000 0.000 0.294 126 V C 0.589 176.670 176.094 -0.022 0.000 1.404 126 V CA -0.355 61.941 62.300 -0.007 0.000 1.065 126 V CB -0.448 31.324 31.823 -0.085 0.000 0.904 126 V HN 0.017 nan 8.190 nan 0.000 0.435 135 D N -0.623 119.788 120.400 0.018 0.000 2.538 135 D HA 0.239 4.879 4.640 -0.000 0.000 0.262 135 D C 0.648 176.963 176.300 0.024 0.000 1.186 135 D CA -0.305 53.706 54.000 0.018 0.000 1.090 135 D CB 0.604 41.414 40.800 0.016 0.000 1.187 135 D HN 0.358 nan 8.370 nan 0.000 0.614 136 R N 0.035 120.550 120.500 0.024 0.000 2.112 136 R HA 0.163 4.503 4.340 -0.000 0.000 0.216 136 R C 1.102 177.423 176.300 0.035 0.000 1.080 136 R CA 0.736 56.852 56.100 0.026 0.000 0.996 136 R CB -0.537 29.775 30.300 0.020 0.000 0.902 136 R HN 0.333 nan 8.270 nan 0.000 0.449 140 A N 1.704 124.551 122.820 0.045 0.000 1.898 140 A HA 0.321 4.641 4.320 -0.000 0.000 0.216 140 A C 2.071 179.645 177.584 -0.017 0.000 1.181 140 A CA 2.052 54.099 52.037 0.018 0.000 0.620 140 A CB -1.254 17.762 19.000 0.028 0.000 0.819 140 A HN 0.557 nan 8.150 nan 0.000 0.442 141 G N -0.194 108.638 108.800 0.053 0.000 2.394 141 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.214 141 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.214 141 G C 1.561 176.377 174.900 -0.140 0.000 1.176 141 G CA 0.856 45.979 45.100 0.038 0.000 0.786 141 G HN 0.391 nan 8.290 nan 0.000 0.533 142 L N 1.226 122.389 121.223 -0.100 0.000 1.997 142 L HA -0.180 4.160 4.340 -0.000 0.000 0.216 142 L C 3.316 180.182 176.870 -0.007 0.000 1.074 142 L CA 2.080 56.842 54.840 -0.130 0.000 0.763 142 L CB -1.181 40.590 42.059 -0.482 0.000 0.890 142 L HN 0.454 nan 8.230 nan 0.000 0.434 143 T N -2.864 111.715 114.554 0.042 0.000 3.007 143 T HA -0.203 4.147 4.350 -0.000 0.000 0.270 143 T C 1.871 176.544 174.700 -0.044 0.000 1.107 143 T CA 0.976 63.138 62.100 0.104 0.000 1.118 143 T CB -0.193 68.725 68.868 0.084 0.000 0.889 143 T HN 0.309 nan 8.240 nan 0.000 0.506 144 R N -0.640 119.730 120.500 -0.217 0.000 2.075 144 R HA 0.102 4.442 4.340 -0.000 0.000 0.220 144 R C 1.321 177.311 176.300 -0.516 0.000 1.118 144 R CA 0.735 56.569 56.100 -0.443 0.000 0.986 144 R CB 0.040 29.890 30.300 -0.750 0.000 0.884 144 R HN 0.497 nan 8.270 nan 0.000 0.439 145 Y N -1.444 118.705 120.300 -0.252 0.000 2.449 145 Y HA 0.288 4.838 4.550 -0.000 0.000 0.254 145 Y C -0.215 175.321 175.900 -0.607 0.000 1.140 145 Y CA -0.329 57.500 58.100 -0.453 0.000 1.272 145 Y CB 0.437 38.489 38.460 -0.681 0.000 1.114 145 Y HN -0.127 nan 8.280 nan 0.000 0.525 146 F N 0.370 120.311 119.950 -0.015 0.000 2.556 146 F HA 0.550 5.077 4.527 -0.000 0.000 0.327 146 F C -2.263 173.596 175.800 0.098 0.000 1.059 146 F CA -3.408 54.601 58.000 0.015 0.000 0.953 146 F CB 0.793 39.702 39.000 -0.151 0.000 1.227 146 F HN -0.300 nan 8.300 nan 0.000 0.478 147 P HA 0.141 nan 4.420 nan 0.000 0.264 147 P C -0.215 177.194 177.300 0.183 0.000 1.193 147 P CA 0.324 63.562 63.100 0.229 0.000 0.763 147 P CB 0.969 32.805 31.700 0.227 0.000 0.810 148 T N 1.291 115.906 114.554 0.102 0.000 2.544 148 T HA 0.520 4.870 4.350 -0.000 0.000 0.231 148 T C -0.315 174.380 174.700 -0.009 0.000 0.794 148 T CA -0.132 61.965 62.100 -0.006 0.000 1.261 148 T CB 0.399 69.283 68.868 0.027 0.000 1.525 148 T HN 0.242 nan 8.240 nan 0.000 0.477 169 S N 1.469 117.159 115.700 -0.016 0.000 2.693 169 S HA 0.496 4.966 4.470 -0.000 0.000 0.276 169 S C -2.540 172.083 174.600 0.040 0.000 1.192 169 S CA -1.275 56.924 58.200 -0.002 0.000 0.994 169 S CB 1.362 64.568 63.200 0.010 0.000 1.012 169 S HN 0.082 nan 8.310 nan 0.000 0.550 170 P HA 0.165 nan 4.420 nan 0.000 0.271 170 P C 0.315 177.612 177.300 -0.005 0.000 1.220 170 P CA -0.307 62.782 63.100 -0.018 0.000 0.768 170 P CB 0.477 32.142 31.700 -0.057 0.000 0.848 171 L N 3.186 124.329 121.223 -0.134 0.000 2.270 171 L HA 0.103 4.443 4.340 -0.000 0.000 0.210 171 L C 0.596 177.104 176.870 -0.602 0.000 1.104 171 L CA 1.429 56.052 54.840 -0.362 0.000 0.804 171 L CB -0.256 41.505 42.059 -0.497 0.000 0.937 171 L HN 0.435 nan 8.230 nan 0.000 0.450 172 S N -3.657 111.803 115.700 -0.400 0.000 2.697 172 S HA 0.351 4.821 4.470 -0.000 0.000 0.289 172 S C 0.770 175.172 174.600 -0.330 0.000 1.149 172 S CA -0.636 57.382 58.200 -0.304 0.000 0.850 172 S CB 0.438 63.610 63.200 -0.047 0.000 1.151 172 S HN 0.205 nan 8.310 nan 0.000 0.491 173 H N -0.209 118.725 119.070 -0.227 0.000 2.363 173 H HA 0.220 4.776 4.556 -0.000 0.000 0.301 173 H C -0.340 174.581 175.328 -0.678 0.000 1.074 173 H CA 1.273 57.001 56.048 -0.535 0.000 1.354 173 H CB -0.089 29.161 29.762 -0.853 0.000 1.397 173 H HN 0.486 nan 8.280 nan 0.000 0.516 174 F N 1.338 121.326 119.950 0.064 0.000 2.546 174 F HA 0.229 4.756 4.527 -0.000 0.000 0.320 174 F C 0.156 175.890 175.800 -0.109 0.000 1.076 174 F CA -1.473 56.508 58.000 -0.031 0.000 0.928 174 F CB 1.327 40.287 39.000 -0.067 0.000 1.189 174 F HN -0.004 nan 8.300 nan 0.000 0.465 175 D N 0.549 120.978 120.400 0.048 0.000 2.387 175 D HA 0.531 5.171 4.640 -0.000 0.000 0.255 175 D C 0.975 177.163 176.300 -0.187 0.000 1.081 175 D CA -0.530 53.408 54.000 -0.103 0.000 0.994 175 D CB 0.926 41.633 40.800 -0.154 0.000 1.127 175 D HN 0.577 nan 8.370 nan 0.000 0.513 176 A N 0.507 123.122 122.820 -0.342 0.000 1.915 176 A HA -0.301 4.019 4.320 -0.000 0.000 0.220 176 A C 2.121 179.417 177.584 -0.481 0.000 1.198 176 A CA 1.670 53.363 52.037 -0.574 0.000 0.647 176 A CB -0.675 17.625 19.000 -1.166 0.000 0.825 176 A HN 0.555 nan 8.150 nan 0.000 0.456 177 R N -1.104 119.176 120.500 -0.366 0.000 2.080 177 R HA -0.159 4.180 4.340 -0.000 0.000 0.236 177 R C 2.329 178.607 176.300 -0.037 0.000 1.137 177 R CA 1.705 57.743 56.100 -0.103 0.000 0.943 177 R CB -0.691 29.567 30.300 -0.070 0.000 0.846 177 R HN 0.531 nan 8.270 nan 0.000 0.431 178 R N 1.278 121.746 120.500 -0.053 0.000 2.105 178 R HA -0.078 4.262 4.340 -0.000 0.000 0.239 178 R C 2.102 178.394 176.300 -0.014 0.000 1.135 178 R CA 1.411 57.521 56.100 0.017 0.000 0.967 178 R CB -0.798 29.544 30.300 0.069 0.000 0.861 178 R HN 0.088 nan 8.270 nan 0.000 0.442 179 V N 0.887 120.732 119.914 -0.115 0.000 2.323 179 V HA -0.178 3.942 4.120 -0.000 0.000 0.244 179 V C 1.788 177.765 176.094 -0.196 0.000 1.041 179 V CA 2.131 64.323 62.300 -0.180 0.000 1.025 179 V CB -0.562 31.130 31.823 -0.218 0.000 0.656 179 V HN 0.292 nan 8.190 nan 0.000 0.451 180 D N -0.338 119.915 120.400 -0.245 0.000 2.117 180 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 180 D C 1.895 177.779 176.300 -0.693 0.000 0.987 180 D CA 1.297 54.991 54.000 -0.510 0.000 0.829 180 D CB -0.287 40.116 40.800 -0.661 0.000 0.961 180 D HN 0.427 nan 8.370 nan 0.000 0.460 181 F N 1.713 121.357 119.950 -0.510 0.000 2.065 181 F HA -0.246 4.281 4.527 -0.000 0.000 0.298 181 F C 2.419 178.088 175.800 -0.219 0.000 1.112 181 F CA 1.621 59.482 58.000 -0.232 0.000 1.212 181 F CB -0.411 38.567 39.000 -0.036 0.000 0.975 181 F HN -0.169 nan 8.300 nan 0.000 0.476 182 S N 0.711 116.235 115.700 -0.294 0.000 2.406 182 S HA -0.061 4.409 4.470 -0.000 0.000 0.228 182 S C 2.095 176.433 174.600 -0.436 0.000 1.020 182 S CA 1.130 59.113 58.200 -0.362 0.000 0.965 182 S CB -0.413 62.744 63.200 -0.070 0.000 0.798 182 S HN 0.379 nan 8.310 nan 0.000 0.488 183 L N 1.006 122.016 121.223 -0.354 0.000 2.056 183 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 183 L C 2.806 179.483 176.870 -0.322 0.000 1.078 183 L CA 1.243 55.895 54.840 -0.313 0.000 0.749 183 L CB -0.734 41.186 42.059 -0.233 0.000 0.901 183 L HN 0.311 nan 8.230 nan 0.000 0.433 184 A N 0.035 122.648 122.820 -0.345 0.000 1.902 184 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 184 A C 2.351 179.729 177.584 -0.343 0.000 1.181 184 A CA 1.696 53.581 52.037 -0.254 0.000 0.623 184 A CB -0.456 18.470 19.000 -0.122 0.000 0.818 184 A HN 0.220 nan 8.150 nan 0.000 0.443 185 R N -0.481 119.679 120.500 -0.568 0.000 2.096 185 R HA 0.041 4.381 4.340 -0.000 0.000 0.235 185 R C 2.041 178.049 176.300 -0.488 0.000 1.127 185 R CA 1.089 56.758 56.100 -0.719 0.000 0.968 185 R CB -0.651 28.860 30.300 -1.316 0.000 0.861 185 R HN 0.577 nan 8.270 nan 0.000 0.440 186 L N -0.136 120.856 121.223 -0.385 0.000 2.012 186 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 186 L C 2.606 179.425 176.870 -0.084 0.000 1.073 186 L CA 1.700 56.434 54.840 -0.176 0.000 0.748 186 L CB -0.325 41.534 42.059 -0.334 0.000 0.891 186 L HN 0.238 nan 8.230 nan 0.000 0.431 187 R N -0.985 119.438 120.500 -0.128 0.000 2.081 187 R HA -0.267 4.073 4.340 -0.000 0.000 0.235 187 R C 2.396 178.665 176.300 -0.051 0.000 1.131 187 R CA 1.931 57.992 56.100 -0.065 0.000 0.960 187 R CB -0.320 29.932 30.300 -0.080 0.000 0.856 187 R HN 0.421 nan 8.270 nan 0.000 0.436 188 H N -0.710 118.232 119.070 -0.213 0.000 2.353 188 H HA -0.160 4.396 4.556 -0.000 0.000 0.300 188 H C 1.247 176.498 175.328 -0.128 0.000 1.090 188 H CA 2.239 58.148 56.048 -0.232 0.000 1.327 188 H CB -0.246 29.236 29.762 -0.468 0.000 1.383 188 H HN 0.269 nan 8.280 nan 0.000 0.508 189 Y N -0.750 119.440 120.300 -0.185 0.000 2.337 189 Y HA 0.019 4.569 4.550 -0.000 0.000 0.293 189 Y C 2.744 178.577 175.900 -0.110 0.000 1.123 189 Y CA 1.404 59.387 58.100 -0.195 0.000 1.201 189 Y CB -0.397 38.023 38.460 -0.067 0.000 1.011 189 Y HN 0.247 nan 8.280 nan 0.000 0.545 190 T N -1.784 112.795 114.554 0.042 0.000 3.044 190 T HA 0.169 4.519 4.350 -0.000 0.000 0.255 190 T C 1.441 175.872 174.700 -0.448 0.000 1.073 190 T CA 0.931 62.982 62.100 -0.082 0.000 1.125 190 T CB -0.505 68.469 68.868 0.178 0.000 0.908 190 T HN 0.482 nan 8.240 nan 0.000 0.480 191 G N 1.981 110.430 108.800 -0.585 0.000 2.272 191 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.280 191 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.280 191 G C 0.115 174.713 174.900 -0.503 0.000 1.067 191 G CA 0.423 44.878 45.100 -1.074 0.000 0.902 191 G HN 0.551 nan 8.290 nan 0.000 0.500 192 T N -0.078 114.348 114.554 -0.212 0.000 2.982 192 T HA 0.535 4.885 4.350 -0.000 0.000 0.321 192 T C -2.983 171.735 174.700 0.030 0.000 1.229 192 T CA -0.762 61.308 62.100 -0.050 0.000 1.044 192 T CB 2.907 71.799 68.868 0.040 0.000 1.184 192 T HN -0.001 nan 8.240 nan 0.000 0.477 193 P HA 0.125 nan 4.420 nan 0.000 0.271 193 P C 1.329 178.569 177.300 -0.099 0.000 1.220 193 P CA -0.477 62.502 63.100 -0.203 0.000 0.768 193 P CB 0.512 31.902 31.700 -0.515 0.000 0.848 194 V N 1.343 121.215 119.914 -0.070 0.000 2.688 194 V HA -0.250 3.870 4.120 -0.000 0.000 0.256 194 V C 1.236 177.298 176.094 -0.053 0.000 1.084 194 V CA 1.705 63.965 62.300 -0.065 0.000 1.103 194 V CB -1.384 30.282 31.823 -0.263 0.000 0.688 194 V HN 0.342 nan 8.190 nan 0.000 0.480 195 E N 0.106 120.204 120.200 -0.171 0.000 2.409 195 E HA -0.061 4.289 4.350 -0.000 0.000 0.198 195 E C 1.818 178.441 176.600 0.038 0.000 1.024 195 E CA 1.346 57.670 56.400 -0.127 0.000 0.861 195 E CB -0.637 28.979 29.700 -0.141 0.000 0.788 195 E HN 0.888 nan 8.360 nan 0.000 0.521 196 H N -1.394 117.649 119.070 -0.044 0.000 2.553 196 H HA 0.157 4.713 4.556 -0.000 0.000 0.265 196 H C -0.184 174.856 175.328 -0.479 0.000 0.964 196 H CA -0.744 55.211 56.048 -0.154 0.000 1.156 196 H CB 0.177 29.888 29.762 -0.085 0.000 1.411 196 H HN 0.065 nan 8.280 nan 0.000 0.558 197 F N 2.675 122.347 119.950 -0.464 0.000 2.578 197 F HA -0.036 4.491 4.527 -0.000 0.000 0.376 197 F C 0.759 176.508 175.800 -0.085 0.000 1.085 197 F CA -0.059 57.719 58.000 -0.370 0.000 1.260 197 F CB 0.578 39.456 39.000 -0.203 0.000 1.095 197 F HN 0.135 nan 8.300 nan 0.000 0.573 198 Q N 5.150 125.042 119.800 0.152 0.000 2.193 198 Q HA 0.250 4.590 4.340 -0.000 0.000 0.246 198 Q C -1.634 174.451 176.000 0.142 0.000 0.959 198 Q CA -2.029 53.884 55.803 0.183 0.000 0.904 198 Q CB 0.799 29.699 28.738 0.270 0.000 1.238 198 Q HN 0.279 nan 8.270 nan 0.000 0.469 199 P HA -0.040 nan 4.420 nan 0.000 0.223 199 P C -0.470 176.564 177.300 -0.443 0.000 1.151 199 P CA 1.071 64.028 63.100 -0.238 0.000 0.787 199 P CB 0.206 31.657 31.700 -0.414 0.000 0.788 200 F N -0.529 119.496 119.950 0.125 0.000 2.361 200 F HA 0.275 4.802 4.527 -0.000 0.000 0.364 200 F C 0.292 176.138 175.800 0.077 0.000 1.117 200 F CA -1.044 57.020 58.000 0.106 0.000 1.071 200 F CB 0.804 39.873 39.000 0.114 0.000 1.188 200 F HN -0.402 nan 8.300 nan 0.000 0.464 201 V N 4.804 124.798 119.914 0.133 0.000 2.547 201 V HA 0.494 4.614 4.120 -0.000 0.000 0.299 201 V C -0.546 175.442 176.094 -0.176 0.000 1.040 201 V CA -0.772 61.500 62.300 -0.046 0.000 0.913 201 V CB 1.967 33.718 31.823 -0.120 0.000 0.992 201 V HN 0.412 nan 8.190 nan 0.000 0.449 202 L N 4.213 125.241 121.223 -0.325 0.000 2.385 202 L HA 0.651 4.991 4.340 -0.000 0.000 0.273 202 L C -0.980 175.654 176.870 -0.393 0.000 0.990 202 L CA -0.085 54.574 54.840 -0.302 0.000 0.821 202 L CB 1.602 43.503 42.059 -0.262 0.000 1.279 202 L HN 0.426 nan 8.230 nan 0.000 0.412 203 F N 1.250 121.135 119.950 -0.109 0.000 2.458 203 F HA 0.759 5.286 4.527 -0.000 0.000 0.336 203 F C 0.484 176.165 175.800 -0.199 0.000 1.114 203 F CA -0.694 57.219 58.000 -0.144 0.000 0.987 203 F CB 2.208 41.114 39.000 -0.157 0.000 1.130 203 F HN 0.453 nan 8.300 nan 0.000 0.458 204 T N -1.003 113.556 114.554 0.009 0.000 2.903 204 T HA 0.386 4.736 4.350 -0.000 0.000 0.299 204 T C -0.189 174.471 174.700 -0.067 0.000 1.093 204 T CA -0.923 61.071 62.100 -0.178 0.000 1.002 204 T CB 1.814 70.466 68.868 -0.360 0.000 1.127 204 T HN 0.506 nan 8.240 nan 0.000 0.488 205 N N 0.147 118.791 118.700 -0.093 0.000 2.234 205 N HA 0.135 4.875 4.740 -0.000 0.000 0.227 205 N C -0.992 174.576 175.510 0.096 0.000 1.151 205 N CA -0.449 52.605 53.050 0.007 0.000 0.865 205 N CB 0.015 38.502 38.487 0.000 0.000 1.066 205 N HN 0.652 nan 8.380 nan 0.000 0.515 206 Y N 0.272 120.503 120.300 -0.115 0.000 2.346 206 Y HA 0.383 4.933 4.550 -0.000 0.000 0.332 206 Y C 1.272 177.230 175.900 0.096 0.000 0.985 206 Y CA -1.016 57.065 58.100 -0.031 0.000 1.112 206 Y CB 1.699 40.085 38.460 -0.124 0.000 1.170 206 Y HN -0.110 nan 8.280 nan 0.000 0.447 207 T N 4.296 118.659 114.554 -0.317 0.000 2.653 207 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 207 T C 1.985 176.437 174.700 -0.412 0.000 1.035 207 T CA 1.913 63.783 62.100 -0.383 0.000 1.154 207 T CB -0.003 68.501 68.868 -0.607 0.000 0.862 207 T HN 0.617 nan 8.240 nan 0.000 0.441 208 R N -0.397 119.666 120.500 -0.729 0.000 2.211 208 R HA -0.109 4.231 4.340 -0.000 0.000 0.240 208 R C 2.078 178.228 176.300 -0.250 0.000 1.144 208 R CA 1.206 57.018 56.100 -0.480 0.000 0.992 208 R CB -0.438 29.547 30.300 -0.525 0.000 0.869 208 R HN 0.567 nan 8.270 nan 0.000 0.462 209 Y N -0.362 119.830 120.300 -0.180 0.000 2.293 209 Y HA -0.210 4.340 4.550 -0.000 0.000 0.291 209 Y C 2.431 178.282 175.900 -0.082 0.000 1.137 209 Y CA 1.309 59.363 58.100 -0.077 0.000 1.202 209 Y CB -0.204 38.216 38.460 -0.066 0.000 0.990 209 Y HN -0.054 nan 8.280 nan 0.000 0.537 210 V N -1.847 118.069 119.914 0.003 0.000 2.591 210 V HA -0.162 3.958 4.120 -0.000 0.000 0.249 210 V C 1.723 177.709 176.094 -0.180 0.000 1.053 210 V CA 1.993 64.196 62.300 -0.161 0.000 1.068 210 V CB -0.351 31.191 31.823 -0.469 0.000 0.689 210 V HN 0.204 nan 8.190 nan 0.000 0.462 211 D N 0.632 120.945 120.400 -0.145 0.000 2.092 211 D HA -0.220 4.420 4.640 -0.000 0.000 0.193 211 D C 2.133 178.386 176.300 -0.078 0.000 0.994 211 D CA 2.187 56.112 54.000 -0.125 0.000 0.828 211 D CB -0.190 40.534 40.800 -0.126 0.000 0.963 211 D HN 0.637 nan 8.370 nan 0.000 0.450 212 E N 0.167 120.335 120.200 -0.053 0.000 2.110 212 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 212 E C 1.900 178.547 176.600 0.079 0.000 0.988 212 E CA 0.623 57.018 56.400 -0.008 0.000 0.804 212 E CB -0.507 29.164 29.700 -0.048 0.000 0.745 212 E HN 0.234 nan 8.360 nan 0.000 0.458 213 F N -0.141 119.771 119.950 -0.063 0.000 2.146 213 F HA -0.125 4.402 4.527 -0.000 0.000 0.298 213 F C 2.012 177.821 175.800 0.015 0.000 1.096 213 F CA 1.237 59.235 58.000 -0.004 0.000 1.275 213 F CB -0.445 38.516 39.000 -0.065 0.000 1.008 213 F HN -0.061 nan 8.300 nan 0.000 0.480 214 V N 1.141 120.968 119.914 -0.144 0.000 2.343 214 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 214 V C 2.653 178.625 176.094 -0.203 0.000 1.051 214 V CA 2.181 64.328 62.300 -0.255 0.000 1.036 214 V CB -0.779 30.901 31.823 -0.238 0.000 0.654 214 V HN 0.306 nan 8.190 nan 0.000 0.451 215 R N -1.127 119.306 120.500 -0.112 0.000 2.082 215 R HA -0.269 4.071 4.340 -0.000 0.000 0.234 215 R C 2.226 178.476 176.300 -0.084 0.000 1.136 215 R CA 2.574 58.627 56.100 -0.079 0.000 0.935 215 R CB -0.551 29.731 30.300 -0.030 0.000 0.842 215 R HN 0.624 nan 8.270 nan 0.000 0.430 216 W N 0.962 122.132 121.300 -0.217 0.000 2.342 216 W HA -0.103 4.557 4.660 -0.000 0.000 0.297 216 W C 1.836 178.163 176.519 -0.320 0.000 1.213 216 W CA 2.044 59.254 57.345 -0.226 0.000 1.251 216 W CB -0.720 28.617 29.460 -0.205 0.000 1.136 216 W HN 0.252 nan 8.180 nan 0.000 0.526 217 G N -0.255 108.252 108.800 -0.489 0.000 2.404 217 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.215 217 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.215 217 G C 1.400 175.962 174.900 -0.563 0.000 1.174 217 G CA 1.433 46.081 45.100 -0.752 0.000 0.780 217 G HN 0.368 nan 8.290 nan 0.000 0.537 218 C N 0.320 119.395 119.300 -0.375 0.000 2.429 218 C HA -0.033 4.427 4.460 -0.000 0.000 0.277 218 C C 3.364 178.187 174.990 -0.278 0.000 1.262 218 C CA 1.338 60.192 59.018 -0.274 0.000 1.733 218 C CB -0.836 26.793 27.740 -0.187 0.000 2.010 218 C HN 0.497 nan 8.230 nan 0.000 0.483 219 S N -0.122 115.396 115.700 -0.304 0.000 2.370 219 S HA -0.222 4.248 4.470 -0.000 0.000 0.226 219 S C 1.992 176.394 174.600 -0.329 0.000 1.033 219 S CA 1.622 59.657 58.200 -0.275 0.000 1.011 219 S CB -0.300 62.746 63.200 -0.257 0.000 0.852 219 S HN 0.620 nan 8.310 nan 0.000 0.457 220 Q N 0.413 119.898 119.800 -0.525 0.000 2.167 220 Q HA 0.054 4.394 4.340 -0.000 0.000 0.202 220 Q C 2.233 178.080 176.000 -0.254 0.000 0.970 220 Q CA 1.067 56.594 55.803 -0.460 0.000 0.855 220 Q CB -0.428 27.853 28.738 -0.762 0.000 0.911 220 Q HN 0.646 nan 8.270 nan 0.000 0.438 221 I N 0.124 120.537 120.570 -0.261 0.000 2.394 221 I HA -0.236 3.934 4.170 -0.000 0.000 0.251 221 I C 1.524 177.558 176.117 -0.138 0.000 1.136 221 I CA 0.483 61.677 61.300 -0.176 0.000 1.425 221 I CB -0.064 37.815 38.000 -0.201 0.000 1.079 221 I HN 0.129 nan 8.210 nan 0.000 0.425 222 L N -0.091 121.045 121.223 -0.144 0.000 2.395 222 L HA -0.010 4.330 4.340 -0.000 0.000 0.218 222 L C 0.888 177.704 176.870 -0.091 0.000 1.130 222 L CA 1.124 55.900 54.840 -0.107 0.000 0.826 222 L CB -0.903 41.094 42.059 -0.103 0.000 0.941 222 L HN 0.115 nan 8.230 nan 0.000 0.451 223 D N -0.259 120.079 120.400 -0.103 0.000 2.316 223 D HA 0.118 4.758 4.640 -0.000 0.000 0.245 223 D C -1.756 174.502 176.300 -0.070 0.000 1.171 223 D CA -2.118 51.834 54.000 -0.081 0.000 0.856 223 D CB 1.797 42.545 40.800 -0.087 0.000 1.090 223 D HN -0.041 nan 8.370 nan 0.000 0.476 224 P HA -0.047 nan 4.420 nan 0.000 0.225 224 P C 0.325 177.595 177.300 -0.050 0.000 1.148 224 P CA 0.727 63.797 63.100 -0.049 0.000 0.779 224 P CB 0.383 32.060 31.700 -0.038 0.000 0.780 225 D N -1.727 118.643 120.400 -0.049 0.000 2.348 225 D HA 0.021 4.661 4.640 -0.000 0.000 0.211 225 D C 0.653 176.915 176.300 -0.063 0.000 0.998 225 D CA 0.605 54.577 54.000 -0.047 0.000 0.873 225 D CB -0.013 40.767 40.800 -0.034 0.000 0.925 225 D HN 0.097 nan 8.370 nan 0.000 0.524 226 S N 1.013 116.670 115.700 -0.073 0.000 2.537 226 S HA 0.216 4.686 4.470 -0.000 0.000 0.275 226 S C -1.735 172.769 174.600 -0.160 0.000 1.272 226 S CA -1.380 56.761 58.200 -0.098 0.000 1.050 226 S CB 1.736 64.904 63.200 -0.054 0.000 0.961 226 S HN -0.228 nan 8.310 nan 0.000 0.496 227 P HA 0.012 nan 4.420 nan 0.000 0.226 227 P C -0.726 176.375 177.300 -0.333 0.000 1.153 227 P CA 0.686 63.586 63.100 -0.334 0.000 0.777 227 P CB -0.049 31.388 31.700 -0.438 0.000 0.794 228 Y N 0.643 120.879 120.300 -0.107 0.000 2.587 228 Y HA 0.062 4.612 4.550 -0.000 0.000 0.344 228 Y C 1.826 177.628 175.900 -0.162 0.000 1.061 228 Y CA -0.184 57.829 58.100 -0.145 0.000 1.370 228 Y CB -0.572 37.749 38.460 -0.232 0.000 1.163 228 Y HN 0.013 nan 8.280 nan 0.000 0.527 229 I N -0.537 120.022 120.570 -0.019 0.000 4.035 229 I HA 0.644 4.814 4.170 -0.000 0.000 0.321 229 I C 0.616 176.631 176.117 -0.171 0.000 1.289 229 I CA -0.042 61.212 61.300 -0.076 0.000 1.236 229 I CB 0.472 38.446 38.000 -0.043 0.000 1.076 229 I HN 0.423 nan 8.210 nan 0.000 0.418 230 A N 1.397 124.069 122.820 -0.248 0.000 2.594 230 A HA 0.802 5.122 4.320 -0.000 0.000 0.291 230 A C -1.822 175.449 177.584 -0.521 0.000 1.105 230 A CA -0.500 51.201 52.037 -0.560 0.000 0.694 230 A CB 2.028 20.459 19.000 -0.948 0.000 1.291 230 A HN 0.233 nan 8.150 nan 0.000 0.410 231 L N 0.816 121.639 121.223 -0.667 0.000 2.518 231 L HA 0.585 4.925 4.340 -0.000 0.000 0.262 231 L C -0.225 176.452 176.870 -0.321 0.000 0.982 231 L CA 0.114 54.731 54.840 -0.371 0.000 0.873 231 L CB 1.521 43.430 42.059 -0.249 0.000 1.198 231 L HN 0.670 nan 8.230 nan 0.000 0.427 232 S N 3.925 119.524 115.700 -0.168 0.000 2.505 232 S HA 0.534 5.004 4.470 -0.000 0.000 0.276 232 S C -0.202 174.419 174.600 0.034 0.000 1.274 232 S CA -0.301 57.952 58.200 0.088 0.000 1.053 232 S CB -0.098 63.324 63.200 0.369 0.000 0.919 232 S HN 0.774 nan 8.310 nan 0.000 0.490 233 C N 3.916 123.214 119.300 -0.003 0.000 2.454 233 C HA 0.809 5.269 4.460 -0.000 0.000 0.336 233 C C 0.820 175.533 174.990 -0.462 0.000 1.189 233 C CA -1.143 57.741 59.018 -0.223 0.000 1.877 233 C CB 0.612 28.408 27.740 0.094 0.000 2.348 233 C HN 1.000 nan 8.230 nan 0.000 0.508 234 A N 1.502 123.711 122.820 -1.017 0.000 2.491 234 A HA 0.498 4.818 4.320 -0.000 0.000 0.261 234 A C 1.276 178.587 177.584 -0.454 0.000 1.101 234 A CA 0.917 52.416 52.037 -0.897 0.000 0.772 234 A CB -0.745 17.445 19.000 -1.351 0.000 1.043 234 A HN 2.159 nan 8.150 nan 0.000 0.501 235 G N 1.097 109.692 108.800 -0.342 0.000 2.391 235 G HA2 0.227 4.187 3.960 -0.000 0.000 0.204 235 G HA3 0.227 4.187 3.960 -0.000 0.000 0.204 235 G C 1.327 176.203 174.900 -0.040 0.000 1.012 235 G CA 0.882 45.925 45.100 -0.095 0.000 0.651 235 G HN 2.573 nan 8.290 nan 0.000 0.494 236 G N -0.228 108.545 108.800 -0.044 0.000 3.006 236 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.195 236 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.195 236 G C 0.047 175.007 174.900 0.100 0.000 1.034 236 G CA 0.553 45.672 45.100 0.031 0.000 0.807 236 G HN 1.016 nan 8.290 nan 0.000 0.469 237 N N 0.599 119.353 118.700 0.090 0.000 2.293 237 N HA 0.258 4.998 4.740 -0.000 0.000 0.253 237 N C -0.422 175.219 175.510 0.218 0.000 1.248 237 N CA 0.640 53.771 53.050 0.134 0.000 0.845 237 N CB 0.203 38.751 38.487 0.102 0.000 1.073 237 N HN 0.405 nan 8.380 nan 0.000 0.464 238 W N 5.995 127.299 121.300 0.007 0.000 2.483 238 W HA 0.367 5.027 4.660 -0.000 0.000 0.291 238 W C -1.548 174.961 176.519 -0.017 0.000 0.997 238 W CA -0.702 56.635 57.345 -0.013 0.000 1.591 238 W CB 0.224 29.674 29.460 -0.016 0.000 1.434 238 W HN 0.291 nan 8.180 nan 0.000 0.420 239 I N 4.004 124.438 120.570 -0.228 0.000 2.529 239 I HA 0.274 4.444 4.170 -0.000 0.000 0.284 239 I C 0.849 176.723 176.117 -0.405 0.000 1.082 239 I CA 0.834 61.998 61.300 -0.226 0.000 1.406 239 I CB 1.539 39.442 38.000 -0.162 0.000 1.405 239 I HN 0.254 nan 8.210 nan 0.000 0.548 240 T N 3.257 117.671 114.554 -0.233 0.000 2.778 240 T HA 0.649 4.999 4.350 -0.000 0.000 0.293 240 T C 0.885 175.517 174.700 -0.113 0.000 1.144 240 T CA 0.038 62.015 62.100 -0.204 0.000 1.010 240 T CB 1.188 69.998 68.868 -0.097 0.000 1.325 240 T HN 0.526 nan 8.240 nan 0.000 0.515 241 A N 0.603 123.370 122.820 -0.087 0.000 1.972 241 A HA 0.058 4.378 4.320 -0.000 0.000 0.219 241 A C 1.218 178.779 177.584 -0.038 0.000 1.169 241 A CA 1.224 53.222 52.037 -0.065 0.000 0.635 241 A CB -0.358 18.609 19.000 -0.054 0.000 0.810 241 A HN 0.753 nan 8.150 nan 0.000 0.446 242 E N 1.048 121.238 120.200 -0.017 0.000 2.304 242 E HA 0.121 4.471 4.350 -0.000 0.000 0.212 242 E C -0.631 175.974 176.600 0.009 0.000 1.185 242 E CA 0.047 56.448 56.400 0.002 0.000 1.326 242 E CB -0.569 29.143 29.700 0.020 0.000 1.283 242 E HN 0.289 nan 8.360 nan 0.000 0.440 243 T N 1.849 116.398 114.554 -0.007 0.000 2.829 243 T HA 0.164 4.514 4.350 -0.000 0.000 0.282 243 T C 0.179 174.878 174.700 -0.002 0.000 0.990 243 T CA -0.685 61.416 62.100 0.001 0.000 1.028 243 T CB 1.504 70.362 68.868 -0.016 0.000 0.951 243 T HN -0.014 nan 8.240 nan 0.000 0.460 244 E N 2.364 122.569 120.200 0.009 0.000 1.944 244 E HA 0.392 4.742 4.350 -0.000 0.000 0.272 244 E C 0.353 176.955 176.600 0.004 0.000 1.195 244 E CA -0.162 56.242 56.400 0.007 0.000 0.926 244 E CB 0.077 29.785 29.700 0.013 0.000 1.051 244 E HN 0.949 nan 8.360 nan 0.000 0.404 245 A N 5.124 127.941 122.820 -0.005 0.000 1.848 245 A HA -0.110 4.210 4.320 -0.000 0.000 0.241 245 A C -1.913 175.666 177.584 -0.007 0.000 1.341 245 A CA -0.407 51.626 52.037 -0.007 0.000 0.706 245 A CB -1.043 17.957 19.000 -0.000 0.000 1.189 245 A HN 0.394 nan 8.150 nan 0.000 0.259 246 P HA 0.051 nan 4.420 nan 0.000 0.285 246 P C 0.877 178.166 177.300 -0.019 0.000 1.521 246 P CA 0.611 63.694 63.100 -0.028 0.000 0.792 246 P CB 0.254 31.920 31.700 -0.056 0.000 1.613 247 E N -0.437 119.761 120.200 -0.004 0.000 2.299 247 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 247 E C 1.405 178.020 176.600 0.025 0.000 0.998 247 E CA 0.517 56.919 56.400 0.005 0.000 0.851 247 E CB -0.105 29.599 29.700 0.006 0.000 0.795 247 E HN 0.303 nan 8.360 nan 0.000 0.492 248 E N 1.312 121.530 120.200 0.031 0.000 2.516 248 E HA 0.006 4.356 4.350 -0.000 0.000 0.199 248 E C 1.496 178.140 176.600 0.073 0.000 1.069 248 E CA 0.565 56.995 56.400 0.051 0.000 0.876 248 E CB -0.234 29.495 29.700 0.049 0.000 0.843 248 E HN 0.249 nan 8.360 nan 0.000 0.530 249 A N 0.598 123.455 122.820 0.062 0.000 1.849 249 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 249 A C 1.080 178.777 177.584 0.188 0.000 1.225 249 A CA 1.198 53.291 52.037 0.093 0.000 0.653 249 A CB -0.562 18.457 19.000 0.033 0.000 0.844 249 A HN 0.300 nan 8.150 nan 0.000 0.453 250 I N 1.005 121.674 120.570 0.165 0.000 2.294 250 I HA 0.110 4.280 4.170 -0.000 0.000 0.295 250 I C 0.350 176.615 176.117 0.248 0.000 1.098 250 I CA -0.043 61.411 61.300 0.258 0.000 1.277 250 I CB 0.796 38.911 38.000 0.191 0.000 1.434 250 I HN 0.230 nan 8.210 nan 0.000 0.498 251 S N 4.755 120.603 115.700 0.245 0.000 2.422 251 S HA 0.073 4.543 4.470 -0.000 0.000 0.283 251 S C 1.039 175.791 174.600 0.253 0.000 1.163 251 S CA -0.724 57.588 58.200 0.187 0.000 1.054 251 S CB 0.365 63.639 63.200 0.123 0.000 0.967 251 S HN 0.496 nan 8.310 nan 0.000 0.499 252 D N 4.159 124.716 120.400 0.261 0.000 2.228 252 D HA -0.122 4.518 4.640 -0.000 0.000 0.203 252 D C 1.562 178.054 176.300 0.320 0.000 0.988 252 D CA 0.791 54.993 54.000 0.336 0.000 0.864 252 D CB -0.088 40.835 40.800 0.205 0.000 0.928 252 D HN 0.502 nan 8.370 nan 0.000 0.469 253 L N 0.325 121.668 121.223 0.200 0.000 2.549 253 L HA 0.032 4.372 4.340 -0.000 0.000 0.229 253 L C 2.014 178.963 176.870 0.133 0.000 1.158 253 L CA 0.528 55.457 54.840 0.148 0.000 0.842 253 L CB -0.416 41.700 42.059 0.094 0.000 0.952 253 L HN -0.063 nan 8.230 nan 0.000 0.452 254 A N -1.047 121.845 122.820 0.121 0.000 1.902 254 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 254 A C 2.041 179.580 177.584 -0.075 0.000 1.181 254 A CA 1.614 53.634 52.037 -0.028 0.000 0.623 254 A CB -0.932 17.899 19.000 -0.282 0.000 0.818 254 A HN 0.634 nan 8.150 nan 0.000 0.443 255 W N -0.016 121.374 121.300 0.150 0.000 2.595 255 W HA -0.001 4.659 4.660 -0.000 0.000 0.257 255 W C 2.134 178.691 176.519 0.062 0.000 1.267 255 W CA 1.291 58.706 57.345 0.116 0.000 1.300 255 W CB -0.112 29.412 29.460 0.107 0.000 1.120 255 W HN 0.497 nan 8.180 nan 0.000 0.618 256 K N 1.749 122.271 120.400 0.204 0.000 2.166 256 K HA -0.110 4.210 4.320 -0.000 0.000 0.201 256 K C 1.853 178.447 176.600 -0.010 0.000 1.052 256 K CA 1.176 57.525 56.287 0.103 0.000 0.969 256 K CB 0.020 32.573 32.500 0.088 0.000 0.761 256 K HN 0.054 nan 8.250 nan 0.000 0.459 257 K N -0.895 119.437 120.400 -0.114 0.000 2.367 257 K HA 0.090 4.410 4.320 -0.000 0.000 0.194 257 K C -0.492 175.682 176.600 -0.711 0.000 1.027 257 K CA 0.073 56.142 56.287 -0.363 0.000 1.075 257 K CB 0.224 32.476 32.500 -0.414 0.000 0.845 257 K HN 0.112 nan 8.250 nan 0.000 0.529 258 H N 0.817 119.832 119.070 -0.092 0.000 2.689 258 H HA 0.168 4.724 4.556 -0.000 0.000 0.346 258 H C -0.911 174.372 175.328 -0.074 0.000 1.037 258 H CA -0.815 55.146 56.048 -0.145 0.000 1.234 258 H CB 1.912 31.542 29.762 -0.221 0.000 1.572 258 H HN 0.047 nan 8.280 nan 0.000 0.524 262 A N 1.377 123.762 122.820 -0.726 0.000 2.346 262 A HA 0.959 5.279 4.320 -0.000 0.000 0.313 262 A C -1.606 175.387 177.584 -0.984 0.000 1.140 262 A CA -0.545 51.147 52.037 -0.576 0.000 0.826 262 A CB 1.508 20.221 19.000 -0.478 0.000 1.332 262 A HN 0.455 nan 8.150 nan 0.000 0.457 263 W N 1.090 122.016 121.300 -0.623 0.000 3.211 263 W HA 0.345 5.005 4.660 -0.000 0.000 0.335 263 W C -1.225 174.981 176.519 -0.521 0.000 1.113 263 W CA -0.312 56.773 57.345 -0.432 0.000 1.235 263 W CB 1.531 30.985 29.460 -0.010 0.000 1.365 263 W HN 0.709 nan 8.180 nan 0.000 0.476 264 H N 4.060 123.213 119.070 0.138 0.000 2.539 264 H HA 0.367 4.923 4.556 -0.000 0.000 0.332 264 H C -0.416 174.961 175.328 0.081 0.000 1.031 264 H CA -0.685 55.415 56.048 0.088 0.000 1.206 264 H CB 2.726 32.464 29.762 -0.040 0.000 1.446 264 H HN 0.161 nan 8.280 nan 0.000 0.496 265 L N 5.628 126.991 121.223 0.232 0.000 2.272 265 L HA 0.330 4.670 4.340 -0.000 0.000 0.284 265 L C -0.089 176.900 176.870 0.199 0.000 1.045 265 L CA -0.408 54.458 54.840 0.044 0.000 0.842 265 L CB 0.031 41.981 42.059 -0.182 0.000 1.224 265 L HN 0.458 nan 8.230 nan 0.000 0.430 266 I N 2.722 123.358 120.570 0.111 0.000 2.713 266 I HA 0.358 4.528 4.170 -0.000 0.000 0.300 266 I C 0.658 176.864 176.117 0.148 0.000 1.009 266 I CA -0.279 61.102 61.300 0.135 0.000 1.305 266 I CB 1.826 39.844 38.000 0.031 0.000 1.430 266 I HN 0.495 nan 8.210 nan 0.000 0.546 267 T N 0.256 114.874 114.554 0.107 0.000 2.901 267 T HA 0.570 4.920 4.350 -0.000 0.000 0.293 267 T C 0.635 175.353 174.700 0.031 0.000 1.084 267 T CA -0.303 61.808 62.100 0.018 0.000 1.008 267 T CB 1.820 70.654 68.868 -0.056 0.000 1.170 267 T HN 0.615 nan 8.240 nan 0.000 0.509 268 A N 1.394 124.217 122.820 0.005 0.000 1.917 268 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 268 A C 1.740 179.344 177.584 0.033 0.000 1.182 268 A CA 2.072 54.123 52.037 0.022 0.000 0.633 268 A CB -1.046 17.957 19.000 0.005 0.000 0.819 268 A HN 0.978 nan 8.150 nan 0.000 0.448 269 D N -1.290 119.126 120.400 0.026 0.000 2.319 269 D HA 0.260 4.900 4.640 -0.000 0.000 0.230 269 D C 0.975 177.312 176.300 0.062 0.000 1.094 269 D CA 0.578 54.601 54.000 0.038 0.000 0.856 269 D CB -1.063 39.755 40.800 0.029 0.000 0.915 269 D HN 0.821 nan 8.370 nan 0.000 0.517 270 G N 1.294 110.139 108.800 0.077 0.000 2.338 270 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.296 270 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.296 270 G C 0.192 175.180 174.900 0.146 0.000 1.040 270 G CA -0.075 45.086 45.100 0.103 0.000 1.004 270 G HN 0.358 nan 8.290 nan 0.000 0.509 271 Q N -0.636 119.270 119.800 0.178 0.000 2.144 271 Q HA 0.336 4.676 4.340 -0.000 0.000 0.305 271 Q C 1.304 177.499 176.000 0.326 0.000 0.876 271 Q CA 0.304 56.283 55.803 0.293 0.000 1.130 271 Q CB 0.695 29.568 28.738 0.224 0.000 1.267 271 Q HN 0.609 nan 8.270 nan 0.000 0.433 272 G N 0.482 109.483 108.800 0.335 0.000 2.546 272 G HA2 0.589 4.549 3.960 -0.000 0.000 0.239 272 G HA3 0.589 4.549 3.960 -0.000 0.000 0.239 272 G C -0.093 175.105 174.900 0.496 0.000 1.476 272 G CA -0.334 45.040 45.100 0.457 0.000 1.064 272 G HN 0.206 nan 8.290 nan 0.000 0.561 273 I N -0.584 120.263 120.570 0.462 0.000 2.545 273 I HA 0.314 4.484 4.170 -0.000 0.000 0.292 273 I C -0.595 175.728 176.117 0.343 0.000 1.040 273 I CA -0.419 61.122 61.300 0.402 0.000 1.068 273 I CB 2.634 40.875 38.000 0.403 0.000 1.251 273 I HN 0.229 nan 8.210 nan 0.000 0.424 274 T N 6.402 121.084 114.554 0.214 0.000 2.823 274 T HA 0.556 4.906 4.350 -0.000 0.000 0.279 274 T C -0.826 173.785 174.700 -0.148 0.000 0.998 274 T CA -0.355 61.811 62.100 0.111 0.000 0.994 274 T CB 1.475 70.452 68.868 0.181 0.000 0.960 274 T HN 0.257 nan 8.240 nan 0.000 0.448 275 L N 5.119 126.154 121.223 -0.313 0.000 2.356 275 L HA 0.765 5.105 4.340 -0.000 0.000 0.277 275 L C -1.295 175.477 176.870 -0.163 0.000 0.996 275 L CA -0.526 54.052 54.840 -0.436 0.000 0.822 275 L CB 1.439 42.903 42.059 -0.992 0.000 1.256 275 L HN 0.419 nan 8.230 nan 0.000 0.413 276 V N 4.732 124.609 119.914 -0.062 0.000 2.487 276 V HA 0.392 4.512 4.120 -0.000 0.000 0.298 276 V C -0.058 176.150 176.094 0.191 0.000 1.028 276 V CA -0.696 61.673 62.300 0.115 0.000 0.860 276 V CB 1.593 33.569 31.823 0.255 0.000 0.991 276 V HN 0.830 nan 8.190 nan 0.000 0.427 277 N N 4.269 123.104 118.700 0.224 0.000 2.602 277 N HA 0.219 4.959 4.740 -0.000 0.000 0.238 277 N C 1.302 176.917 175.510 0.175 0.000 1.084 277 N CA -0.349 52.844 53.050 0.239 0.000 0.952 277 N CB 0.664 39.408 38.487 0.428 0.000 1.244 277 N HN 0.875 nan 8.380 nan 0.000 0.512 278 I N 0.700 121.329 120.570 0.098 0.000 2.756 278 I HA 0.154 4.324 4.170 -0.000 0.000 0.262 278 I C 1.084 177.199 176.117 -0.002 0.000 1.225 278 I CA 0.441 61.734 61.300 -0.012 0.000 1.472 278 I CB -0.565 37.325 38.000 -0.183 0.000 1.094 278 I HN 0.577 nan 8.210 nan 0.000 0.454 279 G N 1.093 109.929 108.800 0.060 0.000 2.512 279 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.240 279 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.240 279 G C -0.436 174.479 174.900 0.026 0.000 1.246 279 G CA 0.056 45.197 45.100 0.068 0.000 0.919 279 G HN 0.859 nan 8.290 nan 0.000 0.577 280 V N 0.247 120.173 119.914 0.021 0.000 2.709 280 V HA 0.948 5.068 4.120 -0.000 0.000 0.308 280 V C 0.417 176.508 176.094 -0.005 0.000 1.062 280 V CA 1.320 63.628 62.300 0.013 0.000 0.901 280 V CB 1.189 33.038 31.823 0.043 0.000 1.003 280 V HN 3.085 nan 8.190 nan 0.000 0.425 281 G N 5.760 114.549 108.800 -0.018 0.000 2.525 281 G HA2 0.017 3.977 3.960 -0.000 0.000 0.685 281 G HA3 0.017 3.977 3.960 -0.000 0.000 0.685 281 G C -2.832 172.031 174.900 -0.061 0.000 1.285 281 G CA -0.126 44.960 45.100 -0.023 0.000 0.849 281 G HN 0.627 nan 8.290 nan 0.000 0.653 282 P HA 0.031 nan 4.420 nan 0.000 0.219 282 P C 2.072 179.319 177.300 -0.089 0.000 1.150 282 P CA 1.672 64.720 63.100 -0.087 0.000 0.814 282 P CB 0.179 31.836 31.700 -0.072 0.000 0.787 283 S N -0.078 115.588 115.700 -0.057 0.000 2.359 283 S HA -0.208 4.262 4.470 -0.000 0.000 0.224 283 S C 1.694 176.236 174.600 -0.097 0.000 1.035 283 S CA 1.926 60.094 58.200 -0.053 0.000 1.018 283 S CB -1.308 61.879 63.200 -0.022 0.000 0.876 283 S HN 0.350 nan 8.310 nan 0.000 0.448 284 N N 1.492 120.124 118.700 -0.114 0.000 2.216 284 N HA 0.079 4.819 4.740 -0.000 0.000 0.183 284 N C 1.896 177.265 175.510 -0.236 0.000 1.017 284 N CA 0.816 53.764 53.050 -0.172 0.000 0.861 284 N CB -0.255 38.151 38.487 -0.134 0.000 0.986 284 N HN 0.390 nan 8.380 nan 0.000 0.428 285 A N 1.726 124.405 122.820 -0.235 0.000 1.902 285 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 285 A C 2.093 179.486 177.584 -0.318 0.000 1.181 285 A CA 1.374 53.208 52.037 -0.338 0.000 0.623 285 A CB -0.457 18.361 19.000 -0.303 0.000 0.818 285 A HN 0.223 nan 8.150 nan 0.000 0.443 286 K N -0.889 119.386 120.400 -0.209 0.000 2.025 286 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 286 K C 2.058 178.562 176.600 -0.160 0.000 1.049 286 K CA 1.868 58.068 56.287 -0.145 0.000 0.933 286 K CB -0.435 32.015 32.500 -0.083 0.000 0.714 286 K HN 0.415 nan 8.250 nan 0.000 0.438 287 T N 1.882 116.325 114.554 -0.186 0.000 2.635 287 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 287 T C 1.813 176.343 174.700 -0.285 0.000 1.040 287 T CA 1.652 63.616 62.100 -0.227 0.000 1.156 287 T CB -0.293 68.421 68.868 -0.256 0.000 0.863 287 T HN 0.220 nan 8.240 nan 0.000 0.430 288 I N 0.804 121.201 120.570 -0.288 0.000 2.208 288 I HA -0.146 4.024 4.170 -0.000 0.000 0.245 288 I C 2.409 178.408 176.117 -0.197 0.000 1.097 288 I CA 0.928 62.107 61.300 -0.202 0.000 1.363 288 I CB -0.524 37.337 38.000 -0.231 0.000 1.051 288 I HN 0.326 nan 8.210 nan 0.000 0.413 289 C N 0.332 119.448 119.300 -0.306 0.000 2.440 289 C HA -0.127 4.333 4.460 -0.000 0.000 0.278 289 C C 2.387 177.343 174.990 -0.057 0.000 1.295 289 C CA 0.676 59.547 59.018 -0.246 0.000 1.738 289 C CB -1.281 26.310 27.740 -0.248 0.000 1.987 289 C HN 0.513 nan 8.230 nan 0.000 0.492 290 D N 0.027 120.344 120.400 -0.137 0.000 2.133 290 D HA -0.128 4.512 4.640 -0.000 0.000 0.195 290 D C 1.954 177.959 176.300 -0.490 0.000 0.997 290 D CA 1.426 55.261 54.000 -0.274 0.000 0.840 290 D CB -0.371 40.218 40.800 -0.351 0.000 0.947 290 D HN 0.616 nan 8.370 nan 0.000 0.452 291 H N -0.239 118.733 119.070 -0.163 0.000 2.370 291 H HA 0.113 4.669 4.556 -0.000 0.000 0.304 291 H C 2.398 177.573 175.328 -0.255 0.000 1.055 291 H CA 0.085 55.997 56.048 -0.226 0.000 1.373 291 H CB -0.579 29.094 29.762 -0.148 0.000 1.423 291 H HN 0.113 nan 8.280 nan 0.000 0.533 292 L N 0.858 122.066 121.223 -0.024 0.000 2.187 292 L HA -0.156 4.184 4.340 -0.000 0.000 0.213 292 L C 2.496 179.413 176.870 0.078 0.000 1.100 292 L CA 0.870 55.729 54.840 0.032 0.000 0.765 292 L CB -0.327 41.853 42.059 0.202 0.000 0.904 292 L HN 0.204 nan 8.230 nan 0.000 0.437 293 A N -0.565 122.256 122.820 0.002 0.000 2.024 293 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 293 A C 2.170 179.617 177.584 -0.227 0.000 1.164 293 A CA 1.700 53.686 52.037 -0.085 0.000 0.643 293 A CB -0.863 17.832 19.000 -0.508 0.000 0.806 293 A HN 0.440 nan 8.150 nan 0.000 0.451 294 V N -2.574 117.039 119.914 -0.501 0.000 2.970 294 V HA -0.032 4.088 4.120 -0.000 0.000 0.260 294 V C 1.851 177.886 176.094 -0.098 0.000 1.100 294 V CA 1.589 63.614 62.300 -0.457 0.000 1.122 294 V CB -0.772 30.722 31.823 -0.547 0.000 0.721 294 V HN 0.440 nan 8.190 nan 0.000 0.483 295 L N -0.239 120.939 121.223 -0.076 0.000 2.599 295 L HA 0.252 4.592 4.340 -0.000 0.000 0.230 295 L C 0.916 177.745 176.870 -0.069 0.000 1.141 295 L CA -0.043 54.785 54.840 -0.020 0.000 0.877 295 L CB -0.308 41.681 42.059 -0.116 0.000 1.009 295 L HN 0.329 nan 8.230 nan 0.000 0.447 296 R N -1.386 119.062 120.500 -0.087 0.000 3.188 296 R HA -0.147 4.193 4.340 -0.000 0.000 0.247 296 R C -2.216 174.015 176.300 -0.115 0.000 0.918 296 R CA 0.022 56.041 56.100 -0.134 0.000 0.629 296 R CB -2.233 27.857 30.300 -0.350 0.000 1.087 296 R HN 0.246 nan 8.270 nan 0.000 0.462 297 P HA 0.003 nan 4.420 nan 0.000 0.271 297 P C 0.728 177.937 177.300 -0.152 0.000 1.238 297 P CA -0.186 62.858 63.100 -0.094 0.000 0.794 297 P CB 0.521 32.226 31.700 0.008 0.000 0.959 298 D N -0.980 119.271 120.400 -0.248 0.000 2.301 298 D HA 0.124 4.764 4.640 -0.000 0.000 0.206 298 D C 0.181 176.382 176.300 -0.166 0.000 0.979 298 D CA 0.857 54.760 54.000 -0.161 0.000 0.874 298 D CB 0.612 41.156 40.800 -0.426 0.000 0.968 298 D HN 0.077 nan 8.370 nan 0.000 0.510 299 V N 0.289 120.090 119.914 -0.187 0.000 3.174 299 V HA 0.445 4.565 4.120 -0.000 0.000 0.280 299 V C -2.206 173.936 176.094 0.080 0.000 1.554 299 V CA -0.924 61.322 62.300 -0.091 0.000 1.016 299 V CB 1.750 33.605 31.823 0.052 0.000 1.197 299 V HN 0.138 nan 8.190 nan 0.000 0.453 300 W N 6.101 127.445 121.300 0.074 0.000 2.957 300 W HA 0.880 5.540 4.660 -0.000 0.000 0.336 300 W C -2.160 174.431 176.519 0.119 0.000 1.087 300 W CA -1.391 55.964 57.345 0.016 0.000 1.235 300 W CB 0.668 30.130 29.460 0.005 0.000 1.399 300 W HN 0.523 nan 8.180 nan 0.000 0.480 304 G N 2.765 111.508 108.800 -0.094 0.000 2.663 304 G HA2 0.544 4.504 3.960 -0.000 0.000 0.299 304 G HA3 0.544 4.504 3.960 -0.000 0.000 0.299 304 G C -1.360 173.698 174.900 0.264 0.000 1.372 304 G CA -0.702 44.340 45.100 -0.096 0.000 0.781 304 G HN 0.403 nan 8.290 nan 0.000 0.491 305 H N -1.546 117.579 119.070 0.091 0.000 2.547 305 H HA 0.509 5.065 4.556 -0.000 0.000 0.362 305 H C 0.302 175.660 175.328 0.050 0.000 1.181 305 H CA 0.051 56.142 56.048 0.071 0.000 1.376 305 H CB 1.377 31.123 29.762 -0.026 0.000 1.488 305 H HN 0.783 nan 8.280 nan 0.000 0.583 306 C N 0.326 119.714 119.300 0.148 0.000 3.321 306 C HA 0.708 5.168 4.460 -0.000 0.000 0.329 306 C C 0.320 175.339 174.990 0.048 0.000 1.394 306 C CA -0.893 58.177 59.018 0.087 0.000 1.291 306 C CB 0.698 28.475 27.740 0.062 0.000 1.606 306 C HN 0.943 nan 8.230 nan 0.000 0.463 307 G N 0.279 109.120 108.800 0.068 0.000 2.348 307 G HA2 0.605 4.565 3.960 -0.000 0.000 0.312 307 G HA3 0.605 4.565 3.960 -0.000 0.000 0.312 307 G C 0.162 175.087 174.900 0.042 0.000 1.126 307 G CA 0.086 45.239 45.100 0.088 0.000 0.865 307 G HN 1.546 nan 8.290 nan 0.000 0.474 308 G N 0.474 109.293 108.800 0.032 0.000 2.372 308 G HA2 0.444 4.404 3.960 -0.000 0.000 0.283 308 G HA3 0.444 4.404 3.960 -0.000 0.000 0.283 308 G C 0.637 175.577 174.900 0.068 0.000 1.177 308 G CA -0.626 44.479 45.100 0.008 0.000 0.842 308 G HN 0.554 nan 8.290 nan 0.000 0.503 309 L N 1.454 122.703 121.223 0.042 0.000 2.616 309 L HA 0.280 4.620 4.340 -0.000 0.000 0.229 309 L C 0.809 177.800 176.870 0.201 0.000 1.110 309 L CA -0.129 54.785 54.840 0.124 0.000 0.884 309 L CB -0.049 42.022 42.059 0.019 0.000 1.115 309 L HN 0.246 nan 8.230 nan 0.000 0.481 310 R N 0.866 121.416 120.500 0.084 0.000 2.368 310 R HA 0.125 4.465 4.340 -0.000 0.000 0.302 310 R C 0.955 177.149 176.300 -0.176 0.000 1.002 310 R CA -0.268 55.853 56.100 0.035 0.000 0.929 310 R CB 1.387 31.678 30.300 -0.016 0.000 1.073 310 R HN 0.113 nan 8.270 nan 0.000 0.464 311 E N 0.888 120.913 120.200 -0.293 0.000 2.110 311 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 311 E C 1.046 177.453 176.600 -0.322 0.000 0.988 311 E CA 1.940 57.955 56.400 -0.643 0.000 0.804 311 E CB -0.143 29.385 29.700 -0.287 0.000 0.745 311 E HN 0.523 nan 8.360 nan 0.000 0.458 312 S N -0.721 114.877 115.700 -0.170 0.000 2.603 312 S HA -0.087 4.383 4.470 -0.000 0.000 0.229 312 S C 0.752 175.281 174.600 -0.119 0.000 0.972 312 S CA -0.154 57.976 58.200 -0.117 0.000 0.935 312 S CB -0.301 62.856 63.200 -0.071 0.000 0.769 312 S HN 0.296 nan 8.310 nan 0.000 0.536 313 Q N 0.887 120.602 119.800 -0.142 0.000 2.259 313 Q HA 0.672 5.012 4.340 -0.000 0.000 0.249 313 Q C -0.530 175.391 176.000 -0.133 0.000 0.914 313 Q CA -0.285 55.444 55.803 -0.123 0.000 0.904 313 Q CB 1.514 30.189 28.738 -0.105 0.000 1.213 313 Q HN 0.537 nan 8.270 nan 0.000 0.428 314 A N 3.133 125.877 122.820 -0.128 0.000 2.350 314 A HA 0.495 4.815 4.320 -0.000 0.000 0.324 314 A C -0.399 177.098 177.584 -0.145 0.000 1.118 314 A CA -0.774 51.187 52.037 -0.127 0.000 0.783 314 A CB 0.671 19.599 19.000 -0.120 0.000 1.236 314 A HN 0.800 nan 8.150 nan 0.000 0.457 315 I N 1.745 122.236 120.570 -0.132 0.000 2.821 315 I HA 0.190 4.360 4.170 -0.000 0.000 0.294 315 I C 1.485 177.489 176.117 -0.189 0.000 1.210 315 I CA 2.072 63.282 61.300 -0.151 0.000 1.430 315 I CB 0.304 38.227 38.000 -0.128 0.000 1.356 315 I HN 1.111 nan 8.210 nan 0.000 0.563 316 G N 4.052 112.706 108.800 -0.244 0.000 2.238 316 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.217 316 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.217 316 G C 0.053 174.636 174.900 -0.529 0.000 0.996 316 G CA -0.428 44.481 45.100 -0.319 0.000 0.632 316 G HN 0.566 nan 8.290 nan 0.000 0.503 317 D N -0.021 120.127 120.400 -0.420 0.000 2.363 317 D HA 0.536 5.176 4.640 -0.000 0.000 0.240 317 D C 0.131 176.112 176.300 -0.532 0.000 1.236 317 D CA 0.372 54.093 54.000 -0.466 0.000 0.927 317 D CB 0.289 40.948 40.800 -0.236 0.000 1.150 317 D HN 0.195 nan 8.370 nan 0.000 0.458 318 Y N -0.804 119.430 120.300 -0.109 0.000 2.446 318 Y HA 0.495 5.045 4.550 -0.000 0.000 0.338 318 Y C 0.160 176.016 175.900 -0.073 0.000 1.055 318 Y CA -0.986 57.045 58.100 -0.115 0.000 1.101 318 Y CB 1.436 39.832 38.460 -0.107 0.000 1.221 318 Y HN -0.083 nan 8.280 nan 0.000 0.460 319 V N 4.237 124.228 119.914 0.128 0.000 2.483 319 V HA 0.328 4.448 4.120 -0.000 0.000 0.297 319 V C -1.159 174.968 176.094 0.055 0.000 1.027 319 V CA -0.770 61.558 62.300 0.046 0.000 0.855 319 V CB 1.803 33.627 31.823 0.002 0.000 0.995 319 V HN 0.527 nan 8.190 nan 0.000 0.424 320 L N 5.661 126.900 121.223 0.026 0.000 2.262 320 L HA 0.830 5.170 4.340 -0.000 0.000 0.288 320 L C 0.504 177.345 176.870 -0.048 0.000 1.035 320 L CA -0.156 54.703 54.840 0.032 0.000 0.820 320 L CB 1.010 43.112 42.059 0.072 0.000 1.204 320 L HN 0.732 nan 8.230 nan 0.000 0.424 321 A N 3.669 126.458 122.820 -0.052 0.000 2.454 321 A HA 0.369 4.689 4.320 -0.000 0.000 0.260 321 A C 0.399 177.904 177.584 -0.131 0.000 1.106 321 A CA 0.173 52.095 52.037 -0.192 0.000 0.780 321 A CB -0.205 18.583 19.000 -0.354 0.000 1.044 321 A HN 0.964 nan 8.150 nan 0.000 0.498 322 H N 0.461 119.400 119.070 -0.220 0.000 2.652 322 H HA 0.629 5.185 4.556 -0.000 0.000 0.274 322 H C -0.054 175.161 175.328 -0.188 0.000 1.021 322 H CA -0.205 55.754 56.048 -0.149 0.000 1.187 322 H CB -0.393 29.316 29.762 -0.088 0.000 1.505 322 H HN 0.965 nan 8.280 nan 0.000 0.530 323 A N -0.193 122.617 122.820 -0.015 0.000 2.567 323 A HA 0.578 4.898 4.320 -0.000 0.000 0.291 323 A C -2.184 175.160 177.584 -0.401 0.000 1.048 323 A CA -0.909 51.029 52.037 -0.165 0.000 0.661 323 A CB 0.645 19.585 19.000 -0.100 0.000 1.288 323 A HN 0.162 nan 8.150 nan 0.000 0.424 324 Y N -0.389 119.928 120.300 0.028 0.000 2.442 324 Y HA 0.599 5.149 4.550 -0.000 0.000 0.344 324 Y C -0.307 175.568 175.900 -0.042 0.000 0.976 324 Y CA -0.732 57.359 58.100 -0.014 0.000 1.040 324 Y CB 2.135 40.575 38.460 -0.033 0.000 1.228 324 Y HN 0.594 nan 8.280 nan 0.000 0.451 325 L N 4.423 125.696 121.223 0.082 0.000 2.270 325 L HA 0.482 4.822 4.340 -0.000 0.000 0.286 325 L C -0.255 176.620 176.870 0.007 0.000 1.059 325 L CA -0.663 54.191 54.840 0.023 0.000 0.839 325 L CB 0.208 42.255 42.059 -0.021 0.000 1.221 325 L HN 0.531 nan 8.230 nan 0.000 0.431 326 R N 3.520 124.020 120.500 -0.001 0.000 2.853 326 R HA 0.113 4.453 4.340 -0.000 0.000 0.238 326 R C -0.401 175.852 176.300 -0.079 0.000 1.538 326 R CA 0.073 56.144 56.100 -0.047 0.000 1.166 326 R CB -0.131 30.134 30.300 -0.058 0.000 1.201 326 R HN 0.541 nan 8.270 nan 0.000 0.606 327 D N 0.874 121.199 120.400 -0.125 0.000 2.525 327 D HA -0.036 4.604 4.640 -0.000 0.000 0.229 327 D C 0.337 176.359 176.300 -0.464 0.000 1.202 327 D CA 0.239 54.103 54.000 -0.227 0.000 0.828 327 D CB 0.533 41.262 40.800 -0.119 0.000 1.008 327 D HN 0.466 nan 8.370 nan 0.000 0.493 328 D N -1.001 119.192 120.400 -0.345 0.000 2.354 328 D HA -0.101 4.539 4.640 -0.000 0.000 0.209 328 D C 0.827 176.981 176.300 -0.243 0.000 1.015 328 D CA 0.261 54.085 54.000 -0.293 0.000 0.867 328 D CB 0.060 40.767 40.800 -0.155 0.000 0.933 328 D HN 0.090 nan 8.370 nan 0.000 0.520 329 H N -0.318 118.744 119.070 -0.013 0.000 5.117 329 H HA -0.229 4.327 4.556 -0.000 0.000 0.074 329 H C 1.894 177.212 175.328 -0.017 0.000 0.550 329 H CA 1.410 57.452 56.048 -0.010 0.000 1.091 329 H CB -1.654 28.110 29.762 0.002 0.000 0.520 329 H HN 0.257 nan 8.280 nan 0.000 0.712 330 V N 1.536 121.502 119.914 0.087 0.000 2.527 330 V HA -0.201 3.919 4.120 -0.000 0.000 0.255 330 V C 2.072 178.174 176.094 0.014 0.000 1.081 330 V CA 2.484 64.807 62.300 0.038 0.000 1.092 330 V CB -0.408 31.415 31.823 0.000 0.000 0.673 330 V HN 0.384 nan 8.190 nan 0.000 0.470 331 L N -0.772 120.449 121.223 -0.004 0.000 2.959 331 L HA 0.234 4.574 4.340 -0.000 0.000 0.259 331 L C 1.510 178.374 176.870 -0.009 0.000 1.185 331 L CA -0.133 54.696 54.840 -0.019 0.000 0.998 331 L CB 0.137 42.162 42.059 -0.057 0.000 1.337 331 L HN 0.199 nan 8.230 nan 0.000 0.555 332 D N 1.393 121.803 120.400 0.017 0.000 2.123 332 D HA -0.200 4.440 4.640 -0.000 0.000 0.196 332 D C 2.204 178.510 176.300 0.011 0.000 0.992 332 D CA 1.603 55.615 54.000 0.021 0.000 0.833 332 D CB 0.192 41.022 40.800 0.050 0.000 0.954 332 D HN 0.349 nan 8.370 nan 0.000 0.455 333 A N 0.488 123.315 122.820 0.012 0.000 1.898 333 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 333 A C 2.364 179.952 177.584 0.007 0.000 1.181 333 A CA 1.969 54.011 52.037 0.010 0.000 0.620 333 A CB -0.584 18.424 19.000 0.012 0.000 0.819 333 A HN 0.253 nan 8.150 nan 0.000 0.442 334 V N -4.267 115.650 119.914 0.004 0.000 3.235 334 V HA 0.408 4.528 4.120 -0.000 0.000 0.259 334 V C 0.530 176.622 176.094 -0.003 0.000 1.133 334 V CA 0.640 62.941 62.300 0.002 0.000 1.128 334 V CB 0.033 31.855 31.823 -0.002 0.000 0.757 334 V HN 0.307 nan 8.190 nan 0.000 0.469 335 L N 1.700 122.917 121.223 -0.011 0.000 2.534 335 L HA 0.662 5.002 4.340 -0.000 0.000 0.259 335 L C -2.908 173.948 176.870 -0.023 0.000 1.108 335 L CA -1.710 53.122 54.840 -0.015 0.000 0.905 335 L CB 1.404 43.439 42.059 -0.040 0.000 1.138 335 L HN -0.001 nan 8.230 nan 0.000 0.475 336 P HA 0.096 nan 4.420 nan 0.000 0.264 336 P C -2.052 175.238 177.300 -0.017 0.000 1.179 336 P CA -0.659 62.438 63.100 -0.005 0.000 0.763 336 P CB 0.186 31.888 31.700 0.003 0.000 0.806 337 P HA -0.186 nan 4.420 nan 0.000 0.222 337 P C 0.702 177.993 177.300 -0.016 0.000 1.142 337 P CA 1.386 64.478 63.100 -0.012 0.000 0.788 337 P CB -0.194 31.514 31.700 0.012 0.000 0.767 338 D N -1.734 118.660 120.400 -0.010 0.000 2.350 338 D HA -0.033 4.607 4.640 -0.000 0.000 0.213 338 D C 0.522 176.814 176.300 -0.014 0.000 1.031 338 D CA 0.178 54.173 54.000 -0.007 0.000 0.861 338 D CB -0.183 40.619 40.800 0.002 0.000 0.926 338 D HN 0.087 nan 8.370 nan 0.000 0.520 339 I N 3.734 124.287 120.570 -0.028 0.000 2.452 339 I HA 0.139 4.309 4.170 -0.000 0.000 0.287 339 I C -1.998 174.065 176.117 -0.090 0.000 1.079 339 I CA -2.320 58.959 61.300 -0.035 0.000 1.387 339 I CB 0.145 38.125 38.000 -0.034 0.000 1.404 339 I HN -0.128 nan 8.210 nan 0.000 0.522 340 P HA 0.206 nan 4.420 nan 0.000 0.276 340 P C -0.666 176.527 177.300 -0.178 0.000 1.235 340 P CA -0.240 62.815 63.100 -0.074 0.000 0.772 340 P CB 1.190 32.882 31.700 -0.014 0.000 0.871 341 I N 6.161 126.630 120.570 -0.168 0.000 2.307 341 I HA 0.249 4.419 4.170 -0.000 0.000 0.287 341 I C -1.326 174.848 176.117 0.096 0.000 1.054 341 I CA -2.524 58.645 61.300 -0.219 0.000 1.218 341 I CB 0.530 38.399 38.000 -0.217 0.000 1.398 341 I HN 0.266 nan 8.210 nan 0.000 0.475 342 P HA 0.300 nan 4.420 nan 0.000 0.277 342 P C -0.403 177.067 177.300 0.284 0.000 1.271 342 P CA -0.384 62.832 63.100 0.193 0.000 0.795 342 P CB 1.069 32.866 31.700 0.161 0.000 1.101 343 S N 0.004 115.797 115.700 0.154 0.000 2.541 343 S HA 0.394 4.864 4.470 -0.000 0.000 0.283 343 S C 0.278 174.871 174.600 -0.011 0.000 1.196 343 S CA -0.583 57.681 58.200 0.107 0.000 1.062 343 S CB 0.263 63.508 63.200 0.074 0.000 1.009 343 S HN 0.225 nan 8.310 nan 0.000 0.502 344 I N 3.071 123.560 120.570 -0.135 0.000 2.301 344 I HA 0.204 4.374 4.170 -0.000 0.000 0.292 344 I C 1.433 177.505 176.117 -0.076 0.000 1.046 344 I CA -0.538 60.667 61.300 -0.158 0.000 1.282 344 I CB -0.198 37.621 38.000 -0.301 0.000 1.409 344 I HN 0.805 nan 8.210 nan 0.000 0.484 345 A N 6.180 128.973 122.820 -0.044 0.000 1.903 345 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 345 A C 1.966 179.541 177.584 -0.016 0.000 1.191 345 A CA 1.815 53.837 52.037 -0.025 0.000 0.638 345 A CB -0.359 18.629 19.000 -0.021 0.000 0.823 345 A HN 0.703 nan 8.150 nan 0.000 0.451 346 E N -0.352 119.838 120.200 -0.017 0.000 2.058 346 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 346 E C 1.937 178.545 176.600 0.012 0.000 0.997 346 E CA 1.351 57.753 56.400 0.003 0.000 0.801 346 E CB -0.602 29.102 29.700 0.008 0.000 0.746 346 E HN 0.371 nan 8.360 nan 0.000 0.450 347 V N 1.200 121.108 119.914 -0.010 0.000 2.407 347 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 347 V C 2.217 178.335 176.094 0.039 0.000 1.055 347 V CA 1.581 63.887 62.300 0.010 0.000 1.049 347 V CB -0.514 31.290 31.823 -0.031 0.000 0.662 347 V HN 0.253 nan 8.190 nan 0.000 0.455 348 Q N 0.102 119.919 119.800 0.028 0.000 2.084 348 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 348 Q C 2.435 178.482 176.000 0.080 0.000 0.978 348 Q CA 1.545 57.379 55.803 0.051 0.000 0.844 348 Q CB -0.368 28.384 28.738 0.024 0.000 0.898 348 Q HN 0.619 nan 8.270 nan 0.000 0.426 349 R N 0.299 120.835 120.500 0.059 0.000 2.075 349 R HA -0.033 4.307 4.340 -0.000 0.000 0.232 349 R C 2.332 178.709 176.300 0.128 0.000 1.126 349 R CA 1.080 57.236 56.100 0.093 0.000 0.963 349 R CB -0.461 29.870 30.300 0.052 0.000 0.858 349 R HN 0.214 nan 8.270 nan 0.000 0.435 350 A N 1.511 124.381 122.820 0.084 0.000 1.865 350 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 350 A C 2.075 179.701 177.584 0.070 0.000 1.191 350 A CA 1.306 53.385 52.037 0.069 0.000 0.623 350 A CB -0.524 18.511 19.000 0.058 0.000 0.826 350 A HN 0.103 nan 8.150 nan 0.000 0.444 351 L N -1.950 119.322 121.223 0.082 0.000 2.083 351 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 351 L C 2.322 179.238 176.870 0.076 0.000 1.083 351 L CA 1.865 56.745 54.840 0.068 0.000 0.752 351 L CB -1.427 40.684 42.059 0.087 0.000 0.899 351 L HN 0.612 nan 8.230 nan 0.000 0.433 352 Y N 0.636 120.935 120.300 -0.001 0.000 2.109 352 Y HA -0.230 4.320 4.550 -0.000 0.000 0.285 352 Y C 2.423 178.320 175.900 -0.005 0.000 1.131 352 Y CA 1.818 59.917 58.100 -0.002 0.000 1.121 352 Y CB -0.170 38.294 38.460 0.006 0.000 0.987 352 Y HN 0.246 nan 8.280 nan 0.000 0.495 353 D N 0.212 120.670 120.400 0.097 0.000 2.104 353 D HA -0.220 4.420 4.640 -0.000 0.000 0.194 353 D C 2.288 178.550 176.300 -0.064 0.000 0.994 353 D CA 1.661 55.663 54.000 0.004 0.000 0.830 353 D CB -0.816 40.025 40.800 0.069 0.000 0.959 353 D HN 0.469 nan 8.370 nan 0.000 0.452 354 A N 0.328 123.126 122.820 -0.037 0.000 1.986 354 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 354 A C 2.351 179.874 177.584 -0.102 0.000 1.171 354 A CA 2.163 54.167 52.037 -0.056 0.000 0.640 354 A CB -0.849 18.126 19.000 -0.042 0.000 0.811 354 A HN 0.245 nan 8.150 nan 0.000 0.451 355 T N -0.579 113.886 114.554 -0.148 0.000 2.857 355 T HA -0.068 4.282 4.350 -0.000 0.000 0.266 355 T C 1.932 176.530 174.700 -0.170 0.000 1.048 355 T CA 1.474 63.462 62.100 -0.187 0.000 1.139 355 T CB -0.089 68.650 68.868 -0.215 0.000 0.874 355 T HN 0.530 nan 8.240 nan 0.000 0.455 356 K N 0.695 120.960 120.400 -0.224 0.000 2.002 356 K HA 0.020 4.340 4.320 -0.000 0.000 0.209 356 K C 2.181 178.725 176.600 -0.093 0.000 1.048 356 K CA 1.028 57.207 56.287 -0.181 0.000 0.930 356 K CB -0.378 32.000 32.500 -0.204 0.000 0.714 356 K HN 0.255 nan 8.250 nan 0.000 0.438 357 L N 0.524 121.702 121.223 -0.075 0.000 1.933 357 L HA -0.259 4.081 4.340 -0.000 0.000 0.220 357 L C 2.427 179.276 176.870 -0.035 0.000 1.078 357 L CA 1.375 56.189 54.840 -0.043 0.000 0.773 357 L CB -1.019 41.021 42.059 -0.032 0.000 0.890 357 L HN 0.013 nan 8.230 nan 0.000 0.434 358 V N -0.817 119.073 119.914 -0.040 0.000 2.252 358 V HA -0.255 3.865 4.120 -0.000 0.000 0.249 358 V C 1.542 177.631 176.094 -0.008 0.000 1.056 358 V CA 1.727 64.010 62.300 -0.028 0.000 1.022 358 V CB -0.513 31.283 31.823 -0.045 0.000 0.641 358 V HN 0.422 nan 8.190 nan 0.000 0.445 359 S N -0.143 115.553 115.700 -0.006 0.000 2.416 359 S HA 0.465 4.935 4.470 -0.000 0.000 0.302 359 S C 0.655 175.265 174.600 0.015 0.000 1.120 359 S CA 0.269 58.493 58.200 0.040 0.000 1.067 359 S CB -0.845 62.423 63.200 0.114 0.000 1.057 359 S HN 1.096 nan 8.310 nan 0.000 0.518 360 G N 5.305 114.112 108.800 0.013 0.000 2.578 360 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.275 360 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.275 360 G C -0.210 174.685 174.900 -0.008 0.000 1.271 360 G CA 0.100 45.201 45.100 0.001 0.000 0.941 360 G HN 1.002 nan 8.290 nan 0.000 0.564 361 R N 0.608 121.102 120.500 -0.010 0.000 2.531 361 R HA 0.541 4.881 4.340 -0.000 0.000 0.273 361 R C -2.141 174.147 176.300 -0.021 0.000 1.070 361 R CA -1.263 54.829 56.100 -0.013 0.000 1.112 361 R CB -0.593 29.702 30.300 -0.009 0.000 1.049 361 R HN 0.389 nan 8.270 nan 0.000 0.508 362 P HA 0.174 nan 4.420 nan 0.000 0.339 362 P C 0.170 177.460 177.300 -0.017 0.000 1.413 362 P CA 0.596 63.679 63.100 -0.029 0.000 0.833 362 P CB -0.121 31.569 31.700 -0.017 0.000 2.004 363 G N -0.181 108.617 108.800 -0.003 0.000 2.642 363 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.231 363 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.231 363 G C 0.372 175.286 174.900 0.025 0.000 1.338 363 G CA 0.314 45.422 45.100 0.013 0.000 0.883 363 G HN 0.626 nan 8.290 nan 0.000 0.570 364 E N 0.556 120.776 120.200 0.033 0.000 2.437 364 E HA 0.070 4.420 4.350 -0.000 0.000 0.189 364 E C 1.524 178.143 176.600 0.032 0.000 1.054 364 E CA 1.112 57.542 56.400 0.050 0.000 0.874 364 E CB 0.204 29.932 29.700 0.047 0.000 1.011 364 E HN 0.804 nan 8.360 nan 0.000 0.474 365 E N 1.130 121.338 120.200 0.012 0.000 2.347 365 E HA -0.102 4.248 4.350 -0.000 0.000 0.196 365 E C 1.907 178.504 176.600 -0.004 0.000 1.008 365 E CA 0.928 57.329 56.400 0.002 0.000 0.852 365 E CB 0.053 29.750 29.700 -0.005 0.000 0.783 365 E HN 0.223 nan 8.360 nan 0.000 0.505 366 V N -0.113 119.793 119.914 -0.014 0.000 2.392 366 V HA -0.279 3.841 4.120 -0.000 0.000 0.249 366 V C 2.053 178.151 176.094 0.007 0.000 1.059 366 V CA 1.546 63.828 62.300 -0.031 0.000 1.051 366 V CB -0.660 31.090 31.823 -0.122 0.000 0.658 366 V HN 0.120 nan 8.190 nan 0.000 0.455 367 K N 0.542 120.962 120.400 0.034 0.000 2.144 367 K HA -0.277 4.043 4.320 -0.000 0.000 0.209 367 K C 2.261 178.866 176.600 0.009 0.000 1.047 367 K CA 2.421 58.731 56.287 0.038 0.000 0.927 367 K CB -0.470 32.053 32.500 0.039 0.000 0.716 367 K HN 0.720 nan 8.250 nan 0.000 0.454 368 Q N -0.429 119.368 119.800 -0.004 0.000 2.297 368 Q HA -0.118 4.222 4.340 -0.000 0.000 0.204 368 Q C 1.932 177.909 176.000 -0.038 0.000 0.962 368 Q CA 0.948 56.738 55.803 -0.022 0.000 0.879 368 Q CB 0.033 28.757 28.738 -0.023 0.000 0.947 368 Q HN 0.099 nan 8.270 nan 0.000 0.462 369 R N -0.386 120.097 120.500 -0.029 0.000 2.316 369 R HA 0.178 4.518 4.340 -0.000 0.000 0.201 369 R C -0.534 175.757 176.300 -0.015 0.000 0.888 369 R CA 0.112 56.182 56.100 -0.050 0.000 1.041 369 R CB 0.626 30.911 30.300 -0.026 0.000 1.115 369 R HN 0.051 nan 8.270 nan 0.000 0.559 370 L N 1.041 122.283 121.223 0.031 0.000 2.356 370 L HA 0.595 4.935 4.340 -0.000 0.000 0.277 370 L C -1.387 175.511 176.870 0.047 0.000 0.996 370 L CA -0.821 54.063 54.840 0.073 0.000 0.822 370 L CB 1.605 43.719 42.059 0.093 0.000 1.256 370 L HN -0.082 nan 8.230 nan 0.000 0.413 371 R N 2.563 123.078 120.500 0.025 0.000 2.437 371 R HA 0.659 4.998 4.340 -0.000 0.000 0.310 371 R C -1.192 175.087 176.300 -0.036 0.000 0.955 371 R CA -0.208 55.885 56.100 -0.012 0.000 0.851 371 R CB 1.517 31.792 30.300 -0.042 0.000 1.161 371 R HN 0.713 nan 8.270 nan 0.000 0.446 372 T N 2.914 117.430 114.554 -0.063 0.000 2.767 372 T HA 0.770 5.120 4.350 -0.000 0.000 0.284 372 T C -0.344 174.131 174.700 -0.376 0.000 0.973 372 T CA 0.147 62.159 62.100 -0.147 0.000 0.996 372 T CB 1.367 70.189 68.868 -0.077 0.000 0.927 372 T HN 0.777 nan 8.240 nan 0.000 0.456 373 G N 1.867 110.307 108.800 -0.600 0.000 2.427 373 G HA2 0.465 4.425 3.960 -0.000 0.000 0.306 373 G HA3 0.465 4.425 3.960 -0.000 0.000 0.306 373 G C -1.017 173.474 174.900 -0.681 0.000 1.280 373 G CA -0.691 43.843 45.100 -0.943 0.000 0.837 373 G HN 0.533 nan 8.290 nan 0.000 0.482 374 T N 0.424 114.823 114.554 -0.259 0.000 2.817 374 T HA 0.526 4.876 4.350 -0.000 0.000 0.293 374 T C -0.064 174.543 174.700 -0.154 0.000 0.964 374 T CA -0.051 62.011 62.100 -0.063 0.000 1.085 374 T CB 1.363 70.264 68.868 0.055 0.000 0.921 374 T HN 0.476 nan 8.240 nan 0.000 0.502 375 V N 4.185 123.998 119.914 -0.169 0.000 2.513 375 V HA 0.380 4.500 4.120 -0.000 0.000 0.299 375 V C 0.001 176.035 176.094 -0.099 0.000 1.035 375 V CA -0.792 61.426 62.300 -0.136 0.000 0.889 375 V CB 1.941 33.721 31.823 -0.072 0.000 0.988 375 V HN 0.665 nan 8.190 nan 0.000 0.440 376 V N 3.810 123.601 119.914 -0.205 0.000 2.383 376 V HA 0.364 4.484 4.120 -0.000 0.000 0.275 376 V C 0.379 176.379 176.094 -0.157 0.000 1.036 376 V CA -0.163 62.003 62.300 -0.223 0.000 0.889 376 V CB 1.549 33.086 31.823 -0.478 0.000 0.985 376 V HN 0.956 nan 8.190 nan 0.000 0.459 377 T N 3.938 118.443 114.554 -0.083 0.000 2.756 377 T HA 0.447 4.797 4.350 -0.000 0.000 0.290 377 T C 0.046 174.682 174.700 -0.106 0.000 0.985 377 T CA -0.125 61.930 62.100 -0.075 0.000 0.955 377 T CB 1.318 70.153 68.868 -0.054 0.000 0.930 377 T HN 0.796 nan 8.240 nan 0.000 0.451 378 T N 1.058 115.558 114.554 -0.090 0.000 2.942 378 T HA 0.412 4.762 4.350 -0.000 0.000 0.289 378 T C 0.049 174.726 174.700 -0.038 0.000 1.044 378 T CA -0.861 61.192 62.100 -0.079 0.000 1.023 378 T CB 1.195 70.052 68.868 -0.019 0.000 1.123 378 T HN 0.601 nan 8.240 nan 0.000 0.512 379 D N 0.802 121.177 120.400 -0.042 0.000 2.402 379 D HA 0.161 4.801 4.640 -0.000 0.000 0.216 379 D C -0.125 176.227 176.300 0.086 0.000 1.128 379 D CA -0.204 53.806 54.000 0.015 0.000 0.833 379 D CB 0.184 40.997 40.800 0.020 0.000 0.971 379 D HN 0.400 nan 8.370 nan 0.000 0.503 380 D N 0.587 121.066 120.400 0.130 0.000 2.458 380 D HA 0.154 4.794 4.640 -0.000 0.000 0.258 380 D C 1.345 177.808 176.300 0.272 0.000 1.134 380 D CA -0.581 53.531 54.000 0.187 0.000 0.915 380 D CB 1.000 41.928 40.800 0.214 0.000 1.028 380 D HN -0.217 nan 8.370 nan 0.000 0.508 381 R N 2.411 123.028 120.500 0.195 0.000 2.133 381 R HA -0.088 4.252 4.340 -0.000 0.000 0.247 381 R C 0.524 176.888 176.300 0.107 0.000 1.151 381 R CA 1.481 57.697 56.100 0.193 0.000 0.971 381 R CB -0.261 30.101 30.300 0.103 0.000 0.866 381 R HN 0.243 nan 8.270 nan 0.000 0.447 382 N N 1.075 119.803 118.700 0.047 0.000 2.346 382 N HA -0.035 4.705 4.740 -0.000 0.000 0.225 382 N C 0.573 176.022 175.510 -0.101 0.000 1.144 382 N CA 0.506 53.501 53.050 -0.091 0.000 0.837 382 N CB -0.266 38.190 38.487 -0.051 0.000 1.069 382 N HN 0.492 nan 8.380 nan 0.000 0.487 383 W N 1.104 122.446 121.300 0.069 0.000 2.321 383 W HA -0.208 4.452 4.660 -0.000 0.000 0.285 383 W C 0.531 177.096 176.519 0.076 0.000 1.213 383 W CA 0.522 57.918 57.345 0.085 0.000 1.205 383 W CB -0.779 28.765 29.460 0.140 0.000 1.134 383 W HN 0.054 nan 8.180 nan 0.000 0.549 384 E N 1.312 121.023 120.200 -0.814 0.000 2.160 384 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 384 E C 2.224 178.701 176.600 -0.205 0.000 0.991 384 E CA 1.836 57.824 56.400 -0.687 0.000 0.810 384 E CB -0.819 28.379 29.700 -0.836 0.000 0.742 384 E HN 0.331 nan 8.360 nan 0.000 0.466 385 L N -0.000 121.137 121.223 -0.143 0.000 2.549 385 L HA -0.054 4.286 4.340 -0.000 0.000 0.230 385 L C 0.826 177.702 176.870 0.010 0.000 1.162 385 L CA 0.837 55.644 54.840 -0.055 0.000 0.834 385 L CB -0.117 41.916 42.059 -0.043 0.000 0.947 385 L HN 0.007 nan 8.230 nan 0.000 0.452 386 R N -2.080 118.457 120.500 0.061 0.000 2.711 386 R HA 0.052 4.392 4.340 -0.000 0.000 0.350 386 R C 0.602 176.978 176.300 0.126 0.000 1.146 386 R CA -0.270 55.878 56.100 0.079 0.000 1.190 386 R CB 0.209 30.557 30.300 0.080 0.000 1.312 386 R HN -0.035 nan 8.270 nan 0.000 0.635 387 Y N 2.083 122.386 120.300 0.005 0.000 2.114 387 Y HA -0.321 4.229 4.550 -0.000 0.000 0.282 387 Y C 2.285 178.143 175.900 -0.070 0.000 1.165 387 Y CA 2.183 60.284 58.100 0.002 0.000 1.148 387 Y CB -0.266 38.194 38.460 -0.000 0.000 0.972 387 Y HN 0.227 nan 8.280 nan 0.000 0.504 388 S N 0.580 116.113 115.700 -0.280 0.000 2.368 388 S HA -0.333 4.137 4.470 -0.000 0.000 0.226 388 S C 2.320 176.738 174.600 -0.303 0.000 1.044 388 S CA 1.767 59.747 58.200 -0.366 0.000 1.062 388 S CB -1.532 61.566 63.200 -0.170 0.000 0.931 388 S HN 0.575 nan 8.310 nan 0.000 0.440 389 A N 1.448 124.168 122.820 -0.167 0.000 1.978 389 A HA -0.030 4.290 4.320 -0.000 0.000 0.220 389 A C 2.419 179.910 177.584 -0.155 0.000 1.170 389 A CA 1.980 53.948 52.037 -0.115 0.000 0.636 389 A CB -0.953 18.023 19.000 -0.039 0.000 0.810 389 A HN 0.587 nan 8.150 nan 0.000 0.448 390 S N -0.648 114.912 115.700 -0.233 0.000 2.421 390 S HA 0.217 4.687 4.470 -0.000 0.000 0.224 390 S C 2.304 176.547 174.600 -0.595 0.000 1.035 390 S CA 0.653 58.629 58.200 -0.375 0.000 0.953 390 S CB -0.371 62.550 63.200 -0.465 0.000 0.810 390 S HN 0.810 nan 8.310 nan 0.000 0.497 391 A N 2.102 124.498 122.820 -0.707 0.000 1.929 391 A HA -0.227 4.093 4.320 -0.000 0.000 0.221 391 A C 2.109 179.553 177.584 -0.233 0.000 1.211 391 A CA 1.996 53.669 52.037 -0.607 0.000 0.657 391 A CB -1.001 17.466 19.000 -0.889 0.000 0.827 391 A HN 0.444 nan 8.150 nan 0.000 0.462 392 L N -0.422 120.687 121.223 -0.191 0.000 2.046 392 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 392 L C 2.533 179.407 176.870 0.006 0.000 1.077 392 L CA 2.173 56.970 54.840 -0.071 0.000 0.747 392 L CB -0.443 41.575 42.059 -0.068 0.000 0.896 392 L HN 0.390 nan 8.230 nan 0.000 0.432 393 R N -1.514 118.999 120.500 0.021 0.000 2.066 393 R HA -0.138 4.202 4.340 -0.000 0.000 0.232 393 R C 2.235 178.692 176.300 0.261 0.000 1.131 393 R CA 1.528 57.703 56.100 0.126 0.000 0.955 393 R CB -0.618 29.775 30.300 0.156 0.000 0.851 393 R HN 0.269 nan 8.270 nan 0.000 0.432 394 F N 1.500 121.441 119.950 -0.016 0.000 2.095 394 F HA -0.218 4.308 4.527 -0.000 0.000 0.298 394 F C 2.251 178.056 175.800 0.009 0.000 1.104 394 F CA 0.780 58.775 58.000 -0.009 0.000 1.232 394 F CB -1.167 37.852 39.000 0.030 0.000 0.987 394 F HN 0.159 nan 8.300 nan 0.000 0.475 395 N N 0.257 119.095 118.700 0.230 0.000 2.142 395 N HA -0.162 4.578 4.740 -0.000 0.000 0.186 395 N C 1.924 177.486 175.510 0.086 0.000 1.023 395 N CA 0.691 53.819 53.050 0.131 0.000 0.852 395 N CB -0.135 38.406 38.487 0.089 0.000 0.998 395 N HN 0.089 nan 8.380 nan 0.000 0.424 396 L N 1.301 122.570 121.223 0.076 0.000 2.083 396 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 396 L C 2.355 179.254 176.870 0.049 0.000 1.083 396 L CA 1.580 56.451 54.840 0.052 0.000 0.752 396 L CB -0.896 41.190 42.059 0.044 0.000 0.899 396 L HN 0.258 nan 8.230 nan 0.000 0.433 397 S N -1.627 114.109 115.700 0.059 0.000 2.575 397 S HA 0.044 4.514 4.470 -0.000 0.000 0.215 397 S C 0.709 175.329 174.600 0.033 0.000 0.966 397 S CA -0.456 57.766 58.200 0.037 0.000 0.911 397 S CB -0.042 63.172 63.200 0.023 0.000 0.780 397 S HN 0.401 nan 8.310 nan 0.000 0.514 398 R N 0.539 121.065 120.500 0.044 0.000 3.525 398 R HA -0.128 4.211 4.340 -0.000 0.000 0.276 398 R C 0.348 176.646 176.300 -0.004 0.000 1.116 398 R CA 0.768 56.889 56.100 0.036 0.000 0.745 398 R CB -3.106 27.221 30.300 0.044 0.000 1.185 398 R HN 0.749 nan 8.270 nan 0.000 0.454 399 A N -0.012 122.784 122.820 -0.040 0.000 2.561 399 A HA 0.227 4.547 4.320 -0.000 0.000 0.234 399 A C 1.469 178.969 177.584 -0.140 0.000 1.055 399 A CA 0.601 52.542 52.037 -0.160 0.000 0.756 399 A CB 0.608 19.378 19.000 -0.382 0.000 0.986 399 A HN 0.161 nan 8.150 nan 0.000 0.505 400 V N 1.240 121.055 119.914 -0.166 0.000 3.484 400 V HA 0.501 4.620 4.120 -0.000 0.000 0.252 400 V C 0.916 176.929 176.094 -0.135 0.000 1.282 400 V CA 1.584 63.808 62.300 -0.127 0.000 1.104 400 V CB 0.119 31.861 31.823 -0.135 0.000 0.868 400 V HN 1.349 nan 8.190 nan 0.000 0.457 401 A N -0.422 122.285 122.820 -0.188 0.000 2.599 401 A HA 0.799 5.119 4.320 -0.000 0.000 0.290 401 A C -1.785 175.645 177.584 -0.256 0.000 1.101 401 A CA -0.366 51.572 52.037 -0.165 0.000 0.674 401 A CB 1.832 20.779 19.000 -0.089 0.000 1.277 401 A HN 0.127 nan 8.150 nan 0.000 0.419 402 I N 1.059 121.508 120.570 -0.202 0.000 2.607 402 I HA 0.547 4.717 4.170 -0.000 0.000 0.290 402 I C -1.809 174.265 176.117 -0.071 0.000 1.129 402 I CA -0.331 60.818 61.300 -0.252 0.000 1.042 402 I CB 1.793 39.487 38.000 -0.510 0.000 1.242 402 I HN 0.962 nan 8.210 nan 0.000 0.421 406 S N 1.336 117.011 115.700 -0.042 0.000 2.414 406 S HA -0.340 4.130 4.470 -0.000 0.000 0.238 406 S C 2.119 176.575 174.600 -0.240 0.000 1.055 406 S CA 2.108 60.307 58.200 -0.001 0.000 1.174 406 S CB -0.650 62.676 63.200 0.210 0.000 1.087 406 S HN 0.461 nan 8.310 nan 0.000 0.428 407 A N 0.990 123.648 122.820 -0.270 0.000 1.948 407 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 407 A C 2.350 179.667 177.584 -0.444 0.000 1.177 407 A CA 2.301 54.007 52.037 -0.553 0.000 0.636 407 A CB -1.460 17.399 19.000 -0.235 0.000 0.815 407 A HN 0.574 nan 8.150 nan 0.000 0.449 408 T N 0.512 114.897 114.554 -0.282 0.000 2.674 408 T HA -0.116 4.234 4.350 -0.000 0.000 0.265 408 T C 1.798 176.348 174.700 -0.249 0.000 1.039 408 T CA 1.437 63.395 62.100 -0.237 0.000 1.150 408 T CB -0.314 68.436 68.868 -0.197 0.000 0.864 408 T HN 0.307 nan 8.240 nan 0.000 0.427 409 I N 1.907 122.314 120.570 -0.271 0.000 2.208 409 I HA -0.139 4.031 4.170 -0.000 0.000 0.245 409 I C 2.930 179.007 176.117 -0.068 0.000 1.097 409 I CA 1.220 62.380 61.300 -0.234 0.000 1.363 409 I CB -1.656 36.205 38.000 -0.233 0.000 1.051 409 I HN 0.212 nan 8.210 nan 0.000 0.413 410 A N 0.789 123.419 122.820 -0.316 0.000 1.873 410 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 410 A C 2.565 179.683 177.584 -0.778 0.000 1.186 410 A CA 1.934 53.562 52.037 -0.683 0.000 0.616 410 A CB -0.796 17.609 19.000 -0.991 0.000 0.823 410 A HN 0.408 nan 8.150 nan 0.000 0.442 411 A N -1.309 121.210 122.820 -0.502 0.000 1.933 411 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 411 A C 2.132 179.615 177.584 -0.168 0.000 1.175 411 A CA 1.574 53.408 52.037 -0.339 0.000 0.628 411 A CB -0.413 18.419 19.000 -0.279 0.000 0.814 411 A HN 0.502 nan 8.150 nan 0.000 0.444 412 Q N -0.580 119.174 119.800 -0.076 0.000 2.119 412 Q HA -0.104 4.236 4.340 -0.000 0.000 0.201 412 Q C 2.253 178.438 176.000 0.309 0.000 0.972 412 Q CA 1.471 57.336 55.803 0.103 0.000 0.847 412 Q CB -0.791 28.106 28.738 0.266 0.000 0.903 412 Q HN 0.654 nan 8.270 nan 0.000 0.433 413 G N -0.110 108.911 108.800 0.368 0.000 2.421 413 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.216 413 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.216 413 G C 1.390 176.370 174.900 0.134 0.000 1.171 413 G CA 0.867 46.103 45.100 0.226 0.000 0.775 413 G HN 0.417 nan 8.290 nan 0.000 0.543 414 Y N 1.483 121.689 120.300 -0.156 0.000 2.128 414 Y HA -0.129 4.421 4.550 -0.000 0.000 0.284 414 Y C 3.053 178.911 175.900 -0.071 0.000 1.154 414 Y CA 2.064 60.163 58.100 -0.001 0.000 1.149 414 Y CB -0.100 38.296 38.460 -0.107 0.000 0.976 414 Y HN 0.030 nan 8.280 nan 0.000 0.505 415 R N -0.874 119.616 120.500 -0.017 0.000 2.081 415 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 415 R C 1.248 177.329 176.300 -0.366 0.000 1.131 415 R CA 1.593 57.516 56.100 -0.295 0.000 0.960 415 R CB -0.538 29.395 30.300 -0.612 0.000 0.856 415 R HN 0.349 nan 8.270 nan 0.000 0.436 416 F N 0.339 120.294 119.950 0.009 0.000 2.645 416 F HA 0.237 4.764 4.527 -0.000 0.000 0.300 416 F C 0.184 175.841 175.800 -0.238 0.000 1.115 416 F CA -0.567 57.390 58.000 -0.072 0.000 1.355 416 F CB 0.025 39.097 39.000 0.122 0.000 1.026 416 F HN -0.197 nan 8.300 nan 0.000 0.536 417 R N -0.385 120.065 120.500 -0.084 0.000 3.333 417 R HA -0.137 4.203 4.340 -0.000 0.000 0.256 417 R C -1.324 174.883 176.300 -0.155 0.000 1.010 417 R CA 0.095 56.120 56.100 -0.124 0.000 0.680 417 R CB -2.571 27.646 30.300 -0.139 0.000 1.102 417 R HN 0.070 nan 8.270 nan 0.000 0.440 418 V N 0.805 120.594 119.914 -0.207 0.000 2.350 418 V HA 0.346 4.466 4.120 -0.000 0.000 0.285 418 V C -1.912 173.968 176.094 -0.357 0.000 1.014 418 V CA -2.176 59.862 62.300 -0.437 0.000 0.831 418 V CB 2.162 33.403 31.823 -0.970 0.000 1.000 418 V HN 0.009 nan 8.190 nan 0.000 0.433 419 P HA 0.061 nan 4.420 nan 0.000 0.264 419 P C -1.284 175.887 177.300 -0.216 0.000 1.179 419 P CA 0.619 63.514 63.100 -0.341 0.000 0.763 419 P CB 0.072 31.543 31.700 -0.382 0.000 0.806 420 Y N 0.391 120.664 120.300 -0.046 0.000 2.615 420 Y HA 0.897 5.447 4.550 -0.000 0.000 0.341 420 Y C -0.194 175.818 175.900 0.187 0.000 1.089 420 Y CA -1.418 56.755 58.100 0.121 0.000 1.049 420 Y CB 1.051 39.650 38.460 0.232 0.000 1.296 420 Y HN 0.567 nan 8.280 nan 0.000 0.470 421 G N -0.216 108.843 108.800 0.432 0.000 2.673 421 G HA2 0.542 4.502 3.960 -0.000 0.000 0.292 421 G HA3 0.542 4.502 3.960 -0.000 0.000 0.292 421 G C -1.972 173.146 174.900 0.364 0.000 1.450 421 G CA -1.047 44.254 45.100 0.336 0.000 0.837 421 G HN 0.682 nan 8.290 nan 0.000 0.505 422 T N 0.576 115.324 114.554 0.322 0.000 2.879 422 T HA 0.550 4.900 4.350 -0.000 0.000 0.290 422 T C -1.254 173.561 174.700 0.192 0.000 0.993 422 T CA -0.313 61.955 62.100 0.279 0.000 0.975 422 T CB 1.523 70.612 68.868 0.367 0.000 0.981 422 T HN 0.588 nan 8.240 nan 0.000 0.439 423 L N 5.058 126.391 121.223 0.183 0.000 2.427 423 L HA 0.601 4.941 4.340 -0.000 0.000 0.264 423 L C -1.361 175.681 176.870 0.286 0.000 0.989 423 L CA -0.409 54.538 54.840 0.178 0.000 0.865 423 L CB 0.529 42.669 42.059 0.134 0.000 1.209 423 L HN 0.588 nan 8.230 nan 0.000 0.430 424 L N 3.168 124.527 121.223 0.227 0.000 2.358 424 L HA 0.641 4.981 4.340 -0.000 0.000 0.268 424 L C -0.428 176.548 176.870 0.177 0.000 1.032 424 L CA -0.805 54.189 54.840 0.257 0.000 0.805 424 L CB 1.838 43.996 42.059 0.165 0.000 1.253 424 L HN 0.610 nan 8.230 nan 0.000 0.452 425 C N 1.431 120.826 119.300 0.159 0.000 2.369 425 C HA 0.554 5.014 4.460 -0.000 0.000 0.322 425 C C 0.111 175.077 174.990 -0.039 0.000 1.258 425 C CA -0.600 58.415 59.018 -0.004 0.000 1.487 425 C CB 0.813 28.501 27.740 -0.086 0.000 2.165 425 C HN 0.506 nan 8.230 nan 0.000 0.483 426 V N 7.104 126.944 119.914 -0.123 0.000 2.458 426 V HA 0.144 4.264 4.120 -0.000 0.000 0.287 426 V C 1.341 177.307 176.094 -0.213 0.000 1.009 426 V CA 1.179 63.401 62.300 -0.131 0.000 1.091 426 V CB 0.864 32.610 31.823 -0.129 0.000 0.960 426 V HN 1.064 nan 8.190 nan 0.000 0.476 427 S N 1.851 117.409 115.700 -0.238 0.000 2.523 427 S HA 0.192 4.662 4.470 -0.000 0.000 0.217 427 S C 0.228 174.716 174.600 -0.188 0.000 0.996 427 S CA 0.006 57.993 58.200 -0.354 0.000 0.921 427 S CB 0.089 62.928 63.200 -0.602 0.000 0.829 427 S HN 0.909 nan 8.310 nan 0.000 0.495 428 D N -0.046 120.293 120.400 -0.102 0.000 2.710 428 D HA 0.244 4.884 4.640 -0.000 0.000 0.276 428 D C -1.739 174.562 176.300 0.002 0.000 1.267 428 D CA -0.649 53.322 54.000 -0.047 0.000 0.772 428 D CB 0.879 41.664 40.800 -0.026 0.000 1.299 428 D HN 0.052 nan 8.370 nan 0.000 0.421 429 K N 0.772 121.188 120.400 0.027 0.000 2.687 429 K HA 0.323 4.643 4.320 -0.000 0.000 0.197 429 K C -2.166 174.492 176.600 0.097 0.000 1.049 429 K CA -1.571 54.772 56.287 0.093 0.000 1.030 429 K CB 2.278 34.831 32.500 0.089 0.000 1.261 429 K HN 0.054 nan 8.250 nan 0.000 0.565 430 P HA -0.181 nan 4.420 nan 0.000 0.216 430 P C 0.817 178.073 177.300 -0.073 0.000 1.150 430 P CA 0.849 63.956 63.100 0.011 0.000 0.843 430 P CB 0.300 32.071 31.700 0.119 0.000 0.787 431 L N -2.639 118.550 121.223 -0.057 0.000 2.509 431 L HA 0.008 4.348 4.340 -0.000 0.000 0.222 431 L C 0.708 177.249 176.870 -0.549 0.000 1.123 431 L CA 1.407 56.036 54.840 -0.352 0.000 0.856 431 L CB -1.383 40.428 42.059 -0.414 0.000 0.985 431 L HN 0.099 nan 8.230 nan 0.000 0.456 432 H N -1.908 117.139 119.070 -0.038 0.000 2.505 432 H HA 0.542 5.098 4.556 -0.000 0.000 0.260 432 H C 1.386 176.693 175.328 -0.035 0.000 1.168 432 H CA 0.236 56.265 56.048 -0.032 0.000 0.945 432 H CB 0.268 30.017 29.762 -0.021 0.000 1.800 432 H HN 0.125 nan 8.280 nan 0.000 0.586 433 G N 0.713 109.520 108.800 0.012 0.000 2.900 433 G HA2 -0.345 3.614 3.960 -0.000 0.000 0.223 433 G HA3 -0.345 3.614 3.960 -0.000 0.000 0.223 433 G C 0.797 175.693 174.900 -0.007 0.000 1.293 433 G CA -0.047 45.051 45.100 -0.003 0.000 0.792 433 G HN 0.369 nan 8.290 nan 0.000 0.527 434 E N 2.278 122.484 120.200 0.009 0.000 2.778 434 E HA 0.277 4.627 4.350 -0.000 0.000 0.318 434 E C 1.237 177.827 176.600 -0.017 0.000 1.309 434 E CA 0.195 56.589 56.400 -0.009 0.000 1.419 434 E CB -0.698 28.994 29.700 -0.013 0.000 1.150 434 E HN 0.602 nan 8.360 nan 0.000 0.492 435 I N 0.410 120.964 120.570 -0.028 0.000 3.211 435 I HA 0.036 4.206 4.170 -0.000 0.000 0.297 435 I C 1.395 177.490 176.117 -0.037 0.000 1.095 435 I CA -0.344 60.933 61.300 -0.039 0.000 1.239 435 I CB 0.544 38.505 38.000 -0.066 0.000 1.455 435 I HN -0.061 nan 8.210 nan 0.000 0.630 448 A N 0.654 123.487 122.820 0.021 0.000 2.070 448 A HA 0.214 4.534 4.320 -0.000 0.000 0.220 448 A C 2.276 179.930 177.584 0.117 0.000 1.159 448 A CA 1.561 53.631 52.037 0.055 0.000 0.656 448 A CB -0.531 18.477 19.000 0.013 0.000 0.800 448 A HN 0.481 nan 8.150 nan 0.000 0.453 449 I N -1.091 119.498 120.570 0.032 0.000 2.394 449 I HA -0.176 3.994 4.170 -0.000 0.000 0.251 449 I C 2.750 178.804 176.117 -0.106 0.000 1.136 449 I CA 1.344 62.558 61.300 -0.143 0.000 1.425 449 I CB -0.183 37.611 38.000 -0.344 0.000 1.079 449 I HN 0.385 nan 8.210 nan 0.000 0.425 450 S N 0.350 116.027 115.700 -0.039 0.000 2.371 450 S HA -0.224 4.246 4.470 -0.000 0.000 0.224 450 S C 2.035 176.645 174.600 0.015 0.000 1.029 450 S CA 1.571 59.755 58.200 -0.027 0.000 0.978 450 S CB -0.140 63.050 63.200 -0.017 0.000 0.833 450 S HN 0.477 nan 8.310 nan 0.000 0.466 451 E N -0.158 120.085 120.200 0.072 0.000 2.077 451 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 451 E C 1.954 178.641 176.600 0.144 0.000 0.989 451 E CA 1.316 57.775 56.400 0.098 0.000 0.800 451 E CB -0.444 29.344 29.700 0.148 0.000 0.746 451 E HN 0.795 nan 8.360 nan 0.000 0.452 452 H N -0.318 118.829 119.070 0.128 0.000 2.290 452 H HA -0.181 4.375 4.556 -0.000 0.000 0.298 452 H C 2.367 177.739 175.328 0.073 0.000 1.087 452 H CA 1.346 57.472 56.048 0.130 0.000 1.291 452 H CB 0.040 30.040 29.762 0.396 0.000 1.369 452 H HN 0.237 nan 8.280 nan 0.000 0.492 453 L N 1.058 122.375 121.223 0.156 0.000 2.079 453 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 453 L C 2.296 179.096 176.870 -0.116 0.000 1.081 453 L CA 1.486 56.333 54.840 0.012 0.000 0.752 453 L CB -0.584 41.496 42.059 0.035 0.000 0.896 453 L HN 0.332 nan 8.230 nan 0.000 0.433 454 Q N -0.333 119.392 119.800 -0.125 0.000 2.124 454 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 454 Q C 2.337 178.253 176.000 -0.139 0.000 0.977 454 Q CA 1.959 57.645 55.803 -0.194 0.000 0.850 454 Q CB -0.313 28.341 28.738 -0.141 0.000 0.901 454 Q HN 0.623 nan 8.270 nan 0.000 0.429 455 I N -0.206 120.308 120.570 -0.094 0.000 2.179 455 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 455 I C 2.291 178.358 176.117 -0.084 0.000 1.088 455 I CA 1.238 62.477 61.300 -0.102 0.000 1.357 455 I CB -0.739 37.164 38.000 -0.163 0.000 1.051 455 I HN 0.209 nan 8.210 nan 0.000 0.409 456 G N 1.454 110.204 108.800 -0.083 0.000 2.446 456 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 456 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 456 G C 1.696 176.550 174.900 -0.076 0.000 1.168 456 G CA 0.792 45.847 45.100 -0.076 0.000 0.771 456 G HN 0.322 nan 8.290 nan 0.000 0.551 457 I N 0.190 120.678 120.570 -0.136 0.000 2.226 457 I HA -0.151 4.019 4.170 -0.000 0.000 0.245 457 I C 2.829 178.893 176.117 -0.088 0.000 1.100 457 I CA 1.281 62.489 61.300 -0.153 0.000 1.374 457 I CB -0.189 37.572 38.000 -0.398 0.000 1.057 457 I HN 0.084 nan 8.210 nan 0.000 0.413 458 R N 1.661 122.108 120.500 -0.089 0.000 2.081 458 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 458 R C 2.196 178.478 176.300 -0.030 0.000 1.131 458 R CA 1.791 57.862 56.100 -0.047 0.000 0.960 458 R CB -0.741 29.530 30.300 -0.049 0.000 0.856 458 R HN 0.349 nan 8.270 nan 0.000 0.436 459 A N 0.900 123.704 122.820 -0.027 0.000 1.902 459 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 459 A C 2.105 179.693 177.584 0.006 0.000 1.181 459 A CA 1.564 53.602 52.037 0.001 0.000 0.623 459 A CB -0.558 18.451 19.000 0.014 0.000 0.818 459 A HN 0.296 nan 8.150 nan 0.000 0.443 460 I N 0.492 121.059 120.570 -0.005 0.000 2.163 460 I HA -0.234 3.936 4.170 -0.000 0.000 0.243 460 I C 1.933 177.955 176.117 -0.158 0.000 1.085 460 I CA 1.817 63.094 61.300 -0.038 0.000 1.347 460 I CB -1.534 36.452 38.000 -0.024 0.000 1.044 460 I HN 0.297 nan 8.210 nan 0.000 0.408 461 D N 0.962 121.303 120.400 -0.099 0.000 2.104 461 D HA -0.165 4.475 4.640 -0.000 0.000 0.194 461 D C 2.431 178.686 176.300 -0.075 0.000 0.994 461 D CA 1.123 55.067 54.000 -0.093 0.000 0.830 461 D CB -0.363 40.425 40.800 -0.019 0.000 0.959 461 D HN 0.281 nan 8.370 nan 0.000 0.452 462 L N 0.153 121.356 121.223 -0.033 0.000 2.042 462 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 462 L C 2.562 179.437 176.870 0.008 0.000 1.076 462 L CA 0.701 55.538 54.840 -0.005 0.000 0.749 462 L CB -0.321 41.746 42.059 0.013 0.000 0.893 462 L HN 0.051 nan 8.230 nan 0.000 0.432 463 L N -0.842 120.390 121.223 0.015 0.000 2.156 463 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 463 L C 2.816 179.743 176.870 0.095 0.000 1.095 463 L CA 0.850 55.740 54.840 0.084 0.000 0.770 463 L CB -0.461 41.693 42.059 0.158 0.000 0.914 463 L HN 0.244 nan 8.230 nan 0.000 0.439 464 R N 0.591 121.034 120.500 -0.094 0.000 2.081 464 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 464 R C 2.289 178.592 176.300 0.005 0.000 1.131 464 R CA 1.513 57.522 56.100 -0.151 0.000 0.960 464 R CB -0.199 29.791 30.300 -0.516 0.000 0.856 464 R HN 0.319 nan 8.270 nan 0.000 0.436 465 A N 0.679 123.488 122.820 -0.018 0.000 1.969 465 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 465 A C 1.885 179.493 177.584 0.041 0.000 1.169 465 A CA 1.522 53.565 52.037 0.010 0.000 0.635 465 A CB -0.425 18.575 19.000 -0.001 0.000 0.810 465 A HN 0.479 nan 8.150 nan 0.000 0.445 466 E N -0.612 119.621 120.200 0.055 0.000 2.233 466 E HA 0.043 4.393 4.350 -0.000 0.000 0.199 466 E C 1.364 178.016 176.600 0.087 0.000 1.004 466 E CA 1.302 57.745 56.400 0.071 0.000 0.819 466 E CB -0.447 29.305 29.700 0.087 0.000 0.738 466 E HN 0.815 nan 8.360 nan 0.000 0.478 467 G N -0.142 108.724 108.800 0.110 0.000 2.543 467 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.286 467 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.286 467 G C 0.686 175.673 174.900 0.145 0.000 1.153 467 G CA 0.290 45.459 45.100 0.114 0.000 0.968 467 G HN 0.353 nan 8.290 nan 0.000 0.544 468 D N 0.766 121.239 120.400 0.121 0.000 2.354 468 D HA 0.086 4.726 4.640 -0.000 0.000 0.209 468 D C 2.557 178.949 176.300 0.154 0.000 1.015 468 D CA 0.330 54.421 54.000 0.151 0.000 0.867 468 D CB 0.043 40.906 40.800 0.105 0.000 0.933 468 D HN 0.262 nan 8.370 nan 0.000 0.520 469 R N 0.851 121.416 120.500 0.108 0.000 2.261 469 R HA -0.110 4.230 4.340 -0.000 0.000 0.236 469 R C 1.988 178.354 176.300 0.110 0.000 1.141 469 R CA 0.187 56.337 56.100 0.084 0.000 1.001 469 R CB -0.605 29.730 30.300 0.059 0.000 0.866 469 R HN 0.166 nan 8.270 nan 0.000 0.468 470 L N -0.228 121.097 121.223 0.170 0.000 1.989 470 L HA -0.113 4.227 4.340 -0.000 0.000 0.211 470 L C 0.016 176.970 176.870 0.140 0.000 1.071 470 L CA 1.787 56.732 54.840 0.174 0.000 0.749 470 L CB -0.439 41.787 42.059 0.278 0.000 0.890 470 L HN 0.154 nan 8.230 nan 0.000 0.431 471 H N -0.434 118.697 119.070 0.102 0.000 2.646 471 H HA 0.496 5.052 4.556 -0.000 0.000 0.325 471 H C 0.454 175.820 175.328 0.064 0.000 1.075 471 H CA 0.114 56.233 56.048 0.119 0.000 1.421 471 H CB 0.720 30.666 29.762 0.307 0.000 1.461 471 H HN 0.417 nan 8.280 nan 0.000 0.525 472 S N 2.171 117.924 115.700 0.089 0.000 2.823 472 S HA 0.477 4.947 4.470 -0.000 0.000 0.316 472 S C 0.733 175.346 174.600 0.021 0.000 1.116 472 S CA -1.081 57.137 58.200 0.031 0.000 0.911 472 S CB 1.848 65.044 63.200 -0.006 0.000 1.276 472 S HN 0.644 nan 8.310 nan 0.000 0.565 473 R N 0.154 120.648 120.500 -0.011 0.000 2.334 473 R HA 0.266 4.606 4.340 -0.000 0.000 0.216 473 R C 1.431 177.710 176.300 -0.035 0.000 0.905 473 R CA -0.065 56.019 56.100 -0.026 0.000 1.064 473 R CB -0.108 30.164 30.300 -0.048 0.000 1.046 473 R HN 0.584 nan 8.270 nan 0.000 0.508 474 K N 0.659 121.044 120.400 -0.024 0.000 2.281 474 K HA -0.100 4.220 4.320 -0.000 0.000 0.203 474 K C 1.280 177.865 176.600 -0.025 0.000 1.046 474 K CA 1.036 57.318 56.287 -0.008 0.000 0.938 474 K CB 0.083 32.587 32.500 0.006 0.000 0.737 474 K HN 0.235 nan 8.250 nan 0.000 0.458 475 L N 0.105 121.291 121.223 -0.061 0.000 2.640 475 L HA 0.128 4.468 4.340 -0.000 0.000 0.230 475 L C 0.458 177.244 176.870 -0.140 0.000 1.123 475 L CA -0.265 54.488 54.840 -0.144 0.000 0.900 475 L CB 0.107 42.097 42.059 -0.115 0.000 1.146 475 L HN 0.002 nan 8.230 nan 0.000 0.484 476 R N 0.508 120.961 120.500 -0.078 0.000 2.537 476 R HA 0.172 4.512 4.340 -0.000 0.000 0.280 476 R C 0.157 176.406 176.300 -0.086 0.000 1.058 476 R CA 0.220 56.284 56.100 -0.059 0.000 1.057 476 R CB 0.798 31.061 30.300 -0.061 0.000 0.973 476 R HN -0.088 nan 8.270 nan 0.000 0.438 477 T N 1.485 116.021 114.554 -0.030 0.000 2.912 477 T HA 0.197 4.547 4.350 -0.000 0.000 0.280 477 T C 0.987 175.714 174.700 0.045 0.000 0.989 477 T CA -0.543 61.584 62.100 0.044 0.000 0.995 477 T CB 0.469 69.389 68.868 0.086 0.000 1.077 477 T HN 0.354 nan 8.240 nan 0.000 0.531 478 F N 1.304 121.271 119.950 0.029 0.000 2.186 478 F HA 0.003 4.530 4.527 -0.000 0.000 0.299 478 F C 1.925 177.765 175.800 0.066 0.000 1.090 478 F CA 0.956 58.984 58.000 0.047 0.000 1.307 478 F CB -0.394 38.636 39.000 0.050 0.000 1.019 478 F HN 0.563 nan 8.300 nan 0.000 0.489 479 N N -0.353 118.498 118.700 0.253 0.000 2.376 479 N HA 0.061 4.801 4.740 -0.000 0.000 0.249 479 N C -0.299 175.276 175.510 0.108 0.000 1.140 479 N CA -0.197 52.965 53.050 0.186 0.000 0.870 479 N CB -0.365 38.217 38.487 0.160 0.000 1.124 479 N HN -0.026 nan 8.380 nan 0.000 0.505 480 E N 1.704 121.945 120.200 0.068 0.000 2.558 480 E HA 0.088 4.438 4.350 -0.000 0.000 0.255 480 E C -2.170 174.383 176.600 -0.078 0.000 0.968 480 E CA -1.438 54.965 56.400 0.006 0.000 0.939 480 E CB 0.309 30.009 29.700 0.001 0.000 0.921 480 E HN 0.290 nan 8.360 nan 0.000 0.477 481 P HA 0.061 nan 4.420 nan 0.000 0.271 481 P C -2.210 174.905 177.300 -0.308 0.000 1.218 481 P CA -1.009 61.917 63.100 -0.290 0.000 0.780 481 P CB 0.576 31.962 31.700 -0.522 0.000 0.901 482 P HA -0.125 nan 4.420 nan 0.000 0.215 482 P C 0.179 177.418 177.300 -0.103 0.000 1.157 482 P CA 1.243 64.052 63.100 -0.485 0.000 0.868 482 P CB -0.116 31.066 31.700 -0.862 0.000 0.788 483 F N 0.154 119.924 119.950 -0.300 0.000 2.529 483 F HA 0.117 4.644 4.527 -0.000 0.000 0.365 483 F C 1.693 177.471 175.800 -0.036 0.000 1.102 483 F CA -1.137 56.753 58.000 -0.185 0.000 1.271 483 F CB -0.737 38.195 39.000 -0.114 0.000 1.120 483 F HN -0.166 nan 8.300 nan 0.000 0.579 484 R N 0.000 120.558 120.500 0.096 0.000 2.786 484 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 484 R CA 0.000 56.122 56.100 0.037 0.000 0.921 484 R CB 0.000 29.975 30.300 -0.542 0.000 0.687 484 R HN 0.000 nan 8.270 nan 0.000 0.535