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 1iex_1_A DATA FIRST_RESID 1 DATA SEQUENCE DYVLYKDATK PVEDRVADLL GRMTLAEKIG QMTQIERLVA TPDVLRDNFI DATA SEQUENCE GSLLSGGGSV PRKGATAKEW QDMVDGFQKA CMSTRLGIPM IYGIDAVHGQ DATA SEQUENCE NNVYGATIFP HNVGLGATRD PYLVKRIGEA TALEVRATGI QYAFAPCIAV DATA SEQUENCE cRDPRWGRcY ESYSEDRRIV QSMTELIPGL QGDVPKDFTS GMPFVAGKNK DATA SEQUENCE VAACAKHFVG DGGTVDGINE NNTIINREGL MNIHMPAYKN AMDKGVSTVM DATA SEQUENCE ISYSSWNGVK MHANQDLVTG YLKDTLKFKG FVISDWEGID RITTPAGSDY DATA SEQUENCE SYSVKASILA GLDMIMVPNK YQQFISILTG HVNGGVIPMS RIDDAVTRIL DATA SEQUENCE RVKFTMGLFE NPYADPAMAE QLGKQEHRDL AREAARKSLV LLKNGKTSTD DATA SEQUENCE APLLPLPKKA PKILVAGSHA DNLGYQCGGW TIEWQGDTGR TTVGTTILEA DATA SEQUENCE VKAAVDPSTV VVFAENPDAE FVKSGGFSYA IVAVGEHPYT ETKGDNLNLT DATA SEQUENCE IPEPGLSTVQ AVcGGVRcAT VLISGRPVVV QPLLAASDAL VAAWLPGSEG DATA SEQUENCE QGVTDALFGD FGFTGRLPRT WFKSVDQLPM NVGDAHYDPL FRLGYGLTTN DATA SEQUENCE ATK 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 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.346 176.300 0.077 0.000 2.045 1 D CA 0.000 54.036 54.000 0.060 0.000 0.868 1 D CB 0.000 40.839 40.800 0.065 0.000 0.688 2 Y N 0.773 121.061 120.300 -0.019 0.000 2.544 2 Y HA 0.414 4.967 4.550 0.005 0.000 0.330 2 Y C -0.370 175.505 175.900 -0.043 0.000 1.136 2 Y CA -0.061 58.020 58.100 -0.032 0.000 1.417 2 Y CB 0.531 38.974 38.460 -0.029 0.000 1.229 2 Y HN 0.245 nan 8.280 nan 0.000 0.532 3 V N 9.554 129.062 119.914 -0.677 0.000 2.277 3 V HA 0.012 4.135 4.120 0.005 0.000 0.269 3 V C 1.120 176.642 176.094 -0.954 0.000 1.036 3 V CA -0.660 61.251 62.300 -0.647 0.000 0.821 3 V CB 0.640 32.173 31.823 -0.483 0.000 1.052 3 V HN 0.913 nan 8.190 nan 0.000 0.462 4 L N 5.670 126.372 121.223 -0.867 0.000 1.991 4 L HA -0.210 4.133 4.340 0.005 0.000 0.221 4 L C 2.481 179.164 176.870 -0.313 0.000 1.079 4 L CA 2.916 57.430 54.840 -0.543 0.000 0.778 4 L CB -0.873 41.091 42.059 -0.158 0.000 0.893 4 L HN 0.873 nan 8.230 nan 0.000 0.437 5 Y N 0.198 120.345 120.300 -0.255 0.000 2.384 5 Y HA -0.184 4.370 4.550 0.007 0.000 0.289 5 Y C 2.141 177.954 175.900 -0.146 0.000 1.152 5 Y CA 1.470 59.433 58.100 -0.230 0.000 1.258 5 Y CB -0.894 37.507 38.460 -0.098 0.000 0.979 5 Y HN 0.183 nan 8.280 nan 0.000 0.549 6 K N 0.178 120.279 120.400 -0.497 0.000 2.404 6 K HA -0.022 4.301 4.320 0.005 0.000 0.194 6 K C -0.069 176.457 176.600 -0.123 0.000 1.023 6 K CA 0.338 56.448 56.287 -0.296 0.000 1.094 6 K CB 0.072 32.317 32.500 -0.424 0.000 0.841 6 K HN 0.187 nan 8.250 nan 0.000 0.523 7 D N 0.816 121.135 120.400 -0.135 0.000 2.365 7 D HA 0.117 4.760 4.640 0.005 0.000 0.237 7 D C 0.681 176.979 176.300 -0.004 0.000 1.190 7 D CA -0.167 53.824 54.000 -0.016 0.000 0.867 7 D CB 1.286 42.133 40.800 0.080 0.000 1.050 7 D HN 0.125 nan 8.370 nan 0.000 0.491 8 A N 2.921 125.760 122.820 0.032 0.000 2.125 8 A HA -0.135 4.188 4.320 0.005 0.000 0.219 8 A C 1.864 179.463 177.584 0.025 0.000 1.156 8 A CA 1.718 53.781 52.037 0.043 0.000 0.671 8 A CB -0.473 18.569 19.000 0.071 0.000 0.794 8 A HN 0.616 nan 8.150 nan 0.000 0.459 9 T N -2.912 111.658 114.554 0.026 0.000 3.129 9 T HA 0.154 4.507 4.350 0.005 0.000 0.251 9 T C 0.570 175.272 174.700 0.004 0.000 1.117 9 T CA -0.140 61.971 62.100 0.019 0.000 1.034 9 T CB -0.053 68.830 68.868 0.025 0.000 0.968 9 T HN 0.147 nan 8.240 nan 0.000 0.526 10 K N 2.954 123.345 120.400 -0.014 0.000 2.098 10 K HA 0.425 4.748 4.320 0.005 0.000 0.261 10 K C -2.596 173.959 176.600 -0.074 0.000 0.987 10 K CA -2.859 53.407 56.287 -0.036 0.000 0.916 10 K CB 0.452 32.927 32.500 -0.041 0.000 1.039 10 K HN 0.156 nan 8.250 nan 0.000 0.455 11 P HA 0.001 nan 4.420 nan 0.000 0.269 11 P C 1.082 178.298 177.300 -0.139 0.000 1.209 11 P CA -0.186 62.870 63.100 -0.074 0.000 0.776 11 P CB 0.608 32.278 31.700 -0.051 0.000 0.876 12 V N 2.375 122.214 119.914 -0.124 0.000 2.250 12 V HA -0.261 3.863 4.120 0.005 0.000 0.250 12 V C 2.482 178.448 176.094 -0.213 0.000 1.060 12 V CA 2.029 64.219 62.300 -0.183 0.000 1.030 12 V CB -0.985 30.810 31.823 -0.045 0.000 0.643 12 V HN 0.580 nan 8.190 nan 0.000 0.445 13 E N -0.229 119.899 120.200 -0.121 0.000 2.204 13 E HA -0.203 4.150 4.350 0.005 0.000 0.195 13 E C 1.942 178.463 176.600 -0.131 0.000 0.990 13 E CA 1.248 57.586 56.400 -0.103 0.000 0.821 13 E CB -0.416 29.244 29.700 -0.066 0.000 0.750 13 E HN 0.654 nan 8.360 nan 0.000 0.477 14 D N 0.368 120.679 120.400 -0.148 0.000 2.123 14 D HA -0.065 4.578 4.640 0.005 0.000 0.200 14 D C 2.047 178.225 176.300 -0.203 0.000 0.976 14 D CA 0.646 54.565 54.000 -0.135 0.000 0.831 14 D CB -0.158 40.583 40.800 -0.100 0.000 0.974 14 D HN 0.153 nan 8.370 nan 0.000 0.469 15 R N 0.508 120.787 120.500 -0.370 0.000 2.096 15 R HA -0.057 4.287 4.340 0.005 0.000 0.235 15 R C 2.413 178.396 176.300 -0.528 0.000 1.127 15 R CA 0.582 56.326 56.100 -0.593 0.000 0.968 15 R CB -0.376 29.183 30.300 -1.235 0.000 0.861 15 R HN 0.067 nan 8.270 nan 0.000 0.440 16 V N 1.138 120.799 119.914 -0.421 0.000 2.295 16 V HA -0.246 3.877 4.120 0.005 0.000 0.246 16 V C 2.482 178.542 176.094 -0.056 0.000 1.049 16 V CA 2.032 64.284 62.300 -0.081 0.000 1.024 16 V CB -0.728 31.092 31.823 -0.005 0.000 0.648 16 V HN 0.415 nan 8.190 nan 0.000 0.447 17 A N -0.049 122.723 122.820 -0.081 0.000 1.902 17 A HA -0.318 4.005 4.320 0.005 0.000 0.217 17 A C 2.032 179.589 177.584 -0.044 0.000 1.181 17 A CA 2.328 54.332 52.037 -0.054 0.000 0.623 17 A CB -0.727 18.241 19.000 -0.052 0.000 0.818 17 A HN 0.641 nan 8.150 nan 0.000 0.443 18 D N -1.022 119.349 120.400 -0.050 0.000 2.144 18 D HA -0.122 4.521 4.640 0.005 0.000 0.200 18 D C 1.765 178.067 176.300 0.002 0.000 0.978 18 D CA 1.219 55.214 54.000 -0.008 0.000 0.833 18 D CB -0.094 40.710 40.800 0.008 0.000 0.961 18 D HN 0.263 nan 8.370 nan 0.000 0.470 19 L N 0.074 121.264 121.223 -0.055 0.000 2.044 19 L HA 0.056 4.399 4.340 0.005 0.000 0.205 19 L C 2.019 178.804 176.870 -0.141 0.000 1.075 19 L CA 1.277 55.986 54.840 -0.219 0.000 0.747 19 L CB -1.038 40.819 42.059 -0.337 0.000 0.903 19 L HN 0.201 nan 8.230 nan 0.000 0.435 20 L N 0.298 121.475 121.223 -0.077 0.000 2.043 20 L HA -0.102 4.242 4.340 0.005 0.000 0.212 20 L C 2.299 179.134 176.870 -0.058 0.000 1.075 20 L CA 2.190 56.993 54.840 -0.062 0.000 0.752 20 L CB -1.388 40.648 42.059 -0.039 0.000 0.891 20 L HN 0.360 nan 8.230 nan 0.000 0.432 21 G N -1.264 107.510 108.800 -0.044 0.000 2.498 21 G HA2 -0.225 3.738 3.960 0.005 0.000 0.219 21 G HA3 -0.225 3.738 3.960 0.005 0.000 0.219 21 G C 1.625 176.506 174.900 -0.031 0.000 1.119 21 G CA 0.695 45.776 45.100 -0.032 0.000 0.766 21 G HN 0.462 nan 8.290 nan 0.000 0.552 22 R N -0.935 119.541 120.500 -0.040 0.000 2.290 22 R HA 0.325 4.669 4.340 0.005 0.000 0.197 22 R C 0.751 177.014 176.300 -0.061 0.000 0.913 22 R CA -0.222 55.860 56.100 -0.030 0.000 1.040 22 R CB 0.184 30.485 30.300 0.002 0.000 0.992 22 R HN 0.322 nan 8.270 nan 0.000 0.500 23 M N 1.251 120.798 119.600 -0.088 0.000 2.233 23 M HA 0.098 4.581 4.480 0.005 0.000 0.350 23 M C 0.603 176.831 176.300 -0.120 0.000 1.176 23 M CA -0.028 55.199 55.300 -0.122 0.000 1.150 23 M CB 1.297 33.818 32.600 -0.131 0.000 1.530 23 M HN 0.034 nan 8.290 nan 0.000 0.459 24 T N -0.631 113.823 114.554 -0.166 0.000 2.881 24 T HA 0.281 4.634 4.350 0.005 0.000 0.278 24 T C 0.746 175.356 174.700 -0.150 0.000 0.982 24 T CA -1.002 61.009 62.100 -0.148 0.000 0.989 24 T CB 0.966 69.730 68.868 -0.174 0.000 1.058 24 T HN 0.628 nan 8.240 nan 0.000 0.529 25 L N 1.315 122.473 121.223 -0.108 0.000 2.079 25 L HA 0.093 4.437 4.340 0.005 0.000 0.210 25 L C 2.724 179.533 176.870 -0.102 0.000 1.081 25 L CA 2.361 57.148 54.840 -0.088 0.000 0.752 25 L CB -1.512 40.512 42.059 -0.059 0.000 0.896 25 L HN 0.929 nan 8.230 nan 0.000 0.433 26 A N -0.872 121.872 122.820 -0.127 0.000 1.902 26 A HA -0.217 4.106 4.320 0.005 0.000 0.217 26 A C 2.169 179.630 177.584 -0.204 0.000 1.181 26 A CA 1.805 53.778 52.037 -0.106 0.000 0.623 26 A CB -0.574 18.387 19.000 -0.066 0.000 0.818 26 A HN 0.613 nan 8.150 nan 0.000 0.443 27 E N -0.249 119.685 120.200 -0.443 0.000 2.152 27 E HA -0.143 4.211 4.350 0.005 0.000 0.192 27 E C 2.026 178.520 176.600 -0.177 0.000 0.983 27 E CA 1.153 57.267 56.400 -0.475 0.000 0.818 27 E CB -0.092 29.264 29.700 -0.574 0.000 0.758 27 E HN 0.590 nan 8.360 nan 0.000 0.467 28 K N 0.608 120.924 120.400 -0.139 0.000 2.025 28 K HA -0.065 4.258 4.320 0.005 0.000 0.207 28 K C 2.128 178.707 176.600 -0.035 0.000 1.049 28 K CA 0.971 57.210 56.287 -0.080 0.000 0.933 28 K CB -0.069 32.388 32.500 -0.072 0.000 0.714 28 K HN 0.097 nan 8.250 nan 0.000 0.438 29 I N 0.885 121.442 120.570 -0.022 0.000 2.361 29 I HA -0.187 3.986 4.170 0.005 0.000 0.251 29 I C 2.413 178.582 176.117 0.086 0.000 1.133 29 I CA 1.108 62.423 61.300 0.025 0.000 1.413 29 I CB -0.588 37.405 38.000 -0.012 0.000 1.073 29 I HN 0.313 nan 8.210 nan 0.000 0.424 30 G N 0.106 108.952 108.800 0.077 0.000 2.440 30 G HA2 -0.237 3.726 3.960 0.005 0.000 0.218 30 G HA3 -0.237 3.726 3.960 0.005 0.000 0.218 30 G C 1.559 176.493 174.900 0.056 0.000 1.154 30 G CA 0.345 45.516 45.100 0.118 0.000 0.767 30 G HN 0.281 nan 8.290 nan 0.000 0.552 31 Q N -0.228 119.577 119.800 0.007 0.000 2.291 31 Q HA 0.097 4.440 4.340 0.005 0.000 0.205 31 Q C 2.407 178.363 176.000 -0.073 0.000 0.970 31 Q CA 0.752 56.523 55.803 -0.053 0.000 0.876 31 Q CB -0.173 28.516 28.738 -0.081 0.000 0.935 31 Q HN 0.558 nan 8.270 nan 0.000 0.455 32 M N -0.155 119.444 119.600 -0.002 0.000 2.561 32 M HA 0.031 4.514 4.480 0.005 0.000 0.238 32 M C -0.084 176.244 176.300 0.048 0.000 1.131 32 M CA 0.364 55.677 55.300 0.022 0.000 1.046 32 M CB 0.457 33.129 32.600 0.119 0.000 1.532 32 M HN -0.220 nan 8.290 nan 0.000 0.497 33 T N 1.086 115.667 114.554 0.045 0.000 2.758 33 T HA 0.329 4.683 4.350 0.005 0.000 0.285 33 T C -0.573 174.076 174.700 -0.084 0.000 0.981 33 T CA -0.561 61.533 62.100 -0.009 0.000 0.965 33 T CB 1.786 70.732 68.868 0.130 0.000 0.927 33 T HN 0.190 nan 8.240 nan 0.000 0.448 34 Q N 3.813 123.532 119.800 -0.135 0.000 2.331 34 Q HA 0.659 5.002 4.340 0.005 0.000 0.267 34 Q C -0.935 174.972 176.000 -0.155 0.000 1.006 34 Q CA -0.827 54.907 55.803 -0.115 0.000 0.818 34 Q CB 0.914 29.625 28.738 -0.046 0.000 1.276 34 Q HN 0.830 nan 8.270 nan 0.000 0.450 35 I N -0.580 119.889 120.570 -0.170 0.000 2.740 35 I HA 0.586 4.760 4.170 0.005 0.000 0.303 35 I C -0.178 175.827 176.117 -0.187 0.000 1.044 35 I CA -1.085 60.111 61.300 -0.175 0.000 1.064 35 I CB 1.980 39.880 38.000 -0.166 0.000 1.249 35 I HN 0.434 nan 8.210 nan 0.000 0.433 36 E N 3.129 123.236 120.200 -0.155 0.000 2.398 36 E HA 0.051 4.404 4.350 0.005 0.000 0.263 36 E C 0.877 177.427 176.600 -0.083 0.000 1.046 36 E CA -0.009 56.346 56.400 -0.075 0.000 0.908 36 E CB 1.326 31.020 29.700 -0.010 0.000 0.963 36 E HN 0.783 nan 8.360 nan 0.000 0.431 37 R N 3.184 123.667 120.500 -0.029 0.000 2.152 37 R HA -0.115 4.229 4.340 0.005 0.000 0.232 37 R C 2.127 178.461 176.300 0.056 0.000 1.117 37 R CA 1.025 57.109 56.100 -0.026 0.000 0.981 37 R CB -0.434 30.009 30.300 0.238 0.000 0.870 37 R HN 0.402 nan 8.270 nan 0.000 0.451 38 L N 1.669 122.946 121.223 0.090 0.000 2.187 38 L HA -0.109 4.234 4.340 0.005 0.000 0.213 38 L C 1.999 178.913 176.870 0.073 0.000 1.100 38 L CA 1.062 55.960 54.840 0.096 0.000 0.765 38 L CB -0.144 41.978 42.059 0.106 0.000 0.904 38 L HN 0.284 nan 8.230 nan 0.000 0.437 39 V N -4.317 115.624 119.914 0.045 0.000 3.376 39 V HA 0.479 4.602 4.120 0.005 0.000 0.313 39 V C 0.772 176.880 176.094 0.022 0.000 1.393 39 V CA -0.228 62.114 62.300 0.069 0.000 1.125 39 V CB -0.487 31.412 31.823 0.127 0.000 1.037 39 V HN 0.129 nan 8.190 nan 0.000 0.440 40 A N 0.201 122.986 122.820 -0.057 0.000 2.316 40 A HA 0.808 5.131 4.320 0.005 0.000 0.284 40 A C 0.184 177.785 177.584 0.028 0.000 1.115 40 A CA -0.029 51.912 52.037 -0.159 0.000 0.812 40 A CB 0.938 19.622 19.000 -0.527 0.000 1.064 40 A HN 0.462 nan 8.150 nan 0.000 0.489 41 T N 2.238 116.804 114.554 0.021 0.000 2.889 41 T HA 0.459 4.812 4.350 0.005 0.000 0.315 41 T C -2.263 172.488 174.700 0.085 0.000 1.291 41 T CA -0.568 61.594 62.100 0.103 0.000 1.028 41 T CB 1.956 70.856 68.868 0.053 0.000 1.235 41 T HN 0.317 nan 8.240 nan 0.000 0.491 42 P HA -0.107 nan 4.420 nan 0.000 0.216 42 P C 0.959 178.262 177.300 0.005 0.000 1.153 42 P CA 1.119 64.266 63.100 0.079 0.000 0.858 42 P CB 0.221 31.959 31.700 0.063 0.000 0.789 43 D N -1.043 119.353 120.400 -0.006 0.000 2.117 43 D HA -0.107 4.536 4.640 0.005 0.000 0.197 43 D C 2.035 178.286 176.300 -0.080 0.000 0.987 43 D CA 1.015 54.992 54.000 -0.038 0.000 0.829 43 D CB -0.823 39.967 40.800 -0.016 0.000 0.961 43 D HN -0.033 nan 8.370 nan 0.000 0.460 44 V N 1.230 121.095 119.914 -0.082 0.000 2.295 44 V HA -0.221 3.902 4.120 0.005 0.000 0.246 44 V C 2.634 178.586 176.094 -0.236 0.000 1.049 44 V CA 1.186 63.387 62.300 -0.164 0.000 1.024 44 V CB -0.482 31.207 31.823 -0.223 0.000 0.648 44 V HN 0.209 nan 8.190 nan 0.000 0.447 45 L N -0.670 120.438 121.223 -0.192 0.000 2.141 45 L HA -0.154 4.189 4.340 0.005 0.000 0.209 45 L C 2.684 179.432 176.870 -0.204 0.000 1.094 45 L CA 1.646 56.374 54.840 -0.187 0.000 0.763 45 L CB -0.581 41.411 42.059 -0.112 0.000 0.908 45 L HN 0.256 nan 8.230 nan 0.000 0.437 46 R N 0.279 120.661 120.500 -0.198 0.000 2.055 46 R HA -0.121 4.223 4.340 0.005 0.000 0.226 46 R C 1.887 177.884 176.300 -0.505 0.000 1.135 46 R CA 1.560 57.501 56.100 -0.264 0.000 0.959 46 R CB -0.004 30.203 30.300 -0.155 0.000 0.854 46 R HN 0.238 nan 8.270 nan 0.000 0.431 47 D N 0.299 120.473 120.400 -0.377 0.000 2.218 47 D HA -0.113 4.531 4.640 0.005 0.000 0.204 47 D C 0.856 176.849 176.300 -0.511 0.000 0.976 47 D CA 1.011 54.767 54.000 -0.407 0.000 0.853 47 D CB -0.157 40.538 40.800 -0.175 0.000 0.939 47 D HN 0.273 nan 8.370 nan 0.000 0.481 48 N N -0.166 118.301 118.700 -0.388 0.000 2.236 48 N HA 0.024 4.767 4.740 0.005 0.000 0.196 48 N C -0.143 175.365 175.510 -0.004 0.000 1.114 48 N CA -0.102 52.859 53.050 -0.149 0.000 0.859 48 N CB 0.549 38.978 38.487 -0.097 0.000 0.982 48 N HN 0.092 nan 8.380 nan 0.000 0.493 49 F N 0.557 120.478 119.950 -0.049 0.000 3.067 49 F HA -0.222 4.308 4.527 0.005 0.000 0.279 49 F C 0.200 175.958 175.800 -0.070 0.000 0.945 49 F CA -0.093 57.876 58.000 -0.051 0.000 0.948 49 F CB -1.879 37.100 39.000 -0.035 0.000 0.898 49 F HN -0.001 nan 8.300 nan 0.000 0.746 50 I N 0.687 121.247 120.570 -0.016 0.000 2.880 50 I HA -0.054 4.119 4.170 0.005 0.000 0.296 50 I C 1.726 177.811 176.117 -0.053 0.000 1.220 50 I CA 1.215 62.479 61.300 -0.061 0.000 1.435 50 I CB 0.166 38.069 38.000 -0.161 0.000 1.339 50 I HN 0.401 nan 8.210 nan 0.000 0.583 51 G N 3.806 112.568 108.800 -0.063 0.000 2.762 51 G HA2 0.118 4.081 3.960 0.005 0.000 0.209 51 G HA3 0.118 4.081 3.960 0.005 0.000 0.209 51 G C 0.516 175.355 174.900 -0.101 0.000 1.134 51 G CA 0.395 45.441 45.100 -0.089 0.000 0.781 51 G HN 0.598 nan 8.290 nan 0.000 0.528 52 S N -1.238 114.404 115.700 -0.096 0.000 2.565 52 S HA 0.734 5.207 4.470 0.005 0.000 0.269 52 S C -1.660 172.859 174.600 -0.135 0.000 1.153 52 S CA -0.671 57.483 58.200 -0.076 0.000 0.835 52 S CB 1.159 64.353 63.200 -0.009 0.000 1.122 52 S HN 0.071 nan 8.310 nan 0.000 0.462 53 L N 2.873 123.976 121.223 -0.199 0.000 2.327 53 L HA 0.847 5.190 4.340 0.005 0.000 0.258 53 L C -1.007 175.527 176.870 -0.560 0.000 1.024 53 L CA -1.003 53.603 54.840 -0.390 0.000 0.825 53 L CB 2.039 43.794 42.059 -0.507 0.000 1.386 53 L HN 0.837 nan 8.230 nan 0.000 0.417 54 L N -1.853 119.053 121.223 -0.529 0.000 2.720 54 L HA 0.710 5.054 4.340 0.005 0.000 0.261 54 L C -1.360 175.469 176.870 -0.068 0.000 1.046 54 L CA -0.402 54.233 54.840 -0.343 0.000 0.886 54 L CB 2.417 44.559 42.059 0.139 0.000 1.493 54 L HN 0.410 nan 8.230 nan 0.000 0.407 55 S N 0.283 116.126 115.700 0.238 0.000 2.498 55 S HA 0.752 5.225 4.470 0.005 0.000 0.317 55 S C 0.093 174.941 174.600 0.413 0.000 1.090 55 S CA -0.137 58.306 58.200 0.405 0.000 1.089 55 S CB 1.505 65.064 63.200 0.597 0.000 0.997 55 S HN 1.059 nan 8.310 nan 0.000 0.470 56 G N 1.602 110.642 108.800 0.400 0.000 2.588 56 G HA2 0.523 4.487 3.960 0.005 0.000 0.281 56 G HA3 0.523 4.487 3.960 0.005 0.000 0.281 56 G C 0.432 175.477 174.900 0.241 0.000 1.236 56 G CA -0.553 44.722 45.100 0.292 0.000 0.969 56 G HN 0.827 nan 8.290 nan 0.000 0.504 57 G N -1.708 107.194 108.800 0.170 0.000 2.265 57 G HA2 0.485 4.449 3.960 0.005 0.000 0.240 57 G HA3 0.485 4.449 3.960 0.005 0.000 0.240 57 G C 1.293 176.328 174.900 0.225 0.000 1.270 57 G CA 0.783 46.085 45.100 0.336 0.000 0.901 57 G HN 1.991 nan 8.290 nan 0.000 0.507 58 G N 0.978 109.961 108.800 0.305 0.000 2.184 58 G HA2 -0.279 3.685 3.960 0.005 0.000 0.264 58 G HA3 -0.279 3.685 3.960 0.005 0.000 0.264 58 G C 0.934 175.970 174.900 0.227 0.000 0.975 58 G CA 0.813 46.062 45.100 0.249 0.000 0.642 58 G HN 1.588 nan 8.290 nan 0.000 0.536 59 S N 0.658 116.510 115.700 0.254 0.000 2.701 59 S HA 0.544 5.017 4.470 0.005 0.000 0.317 59 S C 0.463 175.219 174.600 0.261 0.000 1.149 59 S CA 0.214 58.555 58.200 0.235 0.000 1.052 59 S CB -0.142 63.216 63.200 0.262 0.000 1.257 59 S HN 1.655 nan 8.310 nan 0.000 0.532 60 V N 3.915 123.918 119.914 0.149 0.000 2.864 60 V HA 0.702 4.825 4.120 0.005 0.000 0.314 60 V C -1.578 174.391 176.094 -0.208 0.000 1.073 60 V CA -1.991 60.293 62.300 -0.027 0.000 0.956 60 V CB 1.345 33.261 31.823 0.155 0.000 1.023 60 V HN 0.470 nan 8.190 nan 0.000 0.435 61 P HA -0.031 nan 4.420 nan 0.000 0.216 61 P C 0.256 177.429 177.300 -0.211 0.000 1.150 61 P CA 1.102 63.980 63.100 -0.370 0.000 0.837 61 P CB 0.268 31.625 31.700 -0.570 0.000 0.786 62 R N -2.200 118.187 120.500 -0.188 0.000 2.690 62 R HA 0.307 4.650 4.340 0.005 0.000 0.269 62 R C -0.650 175.623 176.300 -0.045 0.000 1.037 62 R CA -0.982 55.062 56.100 -0.094 0.000 0.877 62 R CB 1.122 31.365 30.300 -0.095 0.000 1.255 62 R HN -0.258 nan 8.270 nan 0.000 0.467 63 K N 0.718 121.102 120.400 -0.027 0.000 2.368 63 K HA 0.174 4.497 4.320 0.005 0.000 0.282 63 K C 0.931 177.484 176.600 -0.079 0.000 1.035 63 K CA 1.144 57.422 56.287 -0.016 0.000 0.973 63 K CB 0.814 33.300 32.500 -0.023 0.000 0.957 63 K HN 0.882 nan 8.250 nan 0.000 0.474 64 G N 1.614 110.350 108.800 -0.106 0.000 2.148 64 G HA2 -0.319 3.644 3.960 0.005 0.000 0.254 64 G HA3 -0.319 3.644 3.960 0.005 0.000 0.254 64 G C 0.363 175.225 174.900 -0.064 0.000 0.981 64 G CA 0.388 45.307 45.100 -0.302 0.000 0.670 64 G HN 0.853 nan 8.290 nan 0.000 0.528 65 A N 0.580 123.428 122.820 0.047 0.000 2.540 65 A HA 0.567 4.890 4.320 0.005 0.000 0.239 65 A C 1.220 178.935 177.584 0.219 0.000 1.061 65 A CA 1.378 53.455 52.037 0.066 0.000 0.758 65 A CB 0.060 19.019 19.000 -0.068 0.000 0.991 65 A HN 1.884 nan 8.150 nan 0.000 0.502 66 T N -0.472 114.182 114.554 0.166 0.000 2.816 66 T HA 0.500 4.854 4.350 0.005 0.000 0.282 66 T C 1.388 176.259 174.700 0.285 0.000 0.993 66 T CA -0.048 62.173 62.100 0.201 0.000 0.994 66 T CB 1.057 69.995 68.868 0.116 0.000 1.025 66 T HN 1.282 nan 8.240 nan 0.000 0.529 67 A N 0.701 123.648 122.820 0.211 0.000 1.978 67 A HA -0.063 4.261 4.320 0.005 0.000 0.220 67 A C 2.354 180.050 177.584 0.187 0.000 1.170 67 A CA 1.206 53.357 52.037 0.189 0.000 0.636 67 A CB -0.746 18.301 19.000 0.077 0.000 0.810 67 A HN 0.862 nan 8.150 nan 0.000 0.448 68 K N -0.404 120.072 120.400 0.126 0.000 2.155 68 K HA -0.098 4.225 4.320 0.005 0.000 0.203 68 K C 1.776 178.422 176.600 0.077 0.000 1.052 68 K CA 1.243 57.581 56.287 0.085 0.000 0.948 68 K CB -0.128 32.401 32.500 0.048 0.000 0.728 68 K HN 0.644 nan 8.250 nan 0.000 0.448 69 E N -0.165 120.082 120.200 0.079 0.000 2.110 69 E HA -0.184 4.170 4.350 0.005 0.000 0.193 69 E C 1.786 178.372 176.600 -0.024 0.000 0.988 69 E CA 1.093 57.488 56.400 -0.008 0.000 0.804 69 E CB -0.096 29.570 29.700 -0.057 0.000 0.745 69 E HN 0.357 nan 8.360 nan 0.000 0.458 70 W N 1.643 122.926 121.300 -0.028 0.000 2.358 70 W HA -0.152 4.511 4.660 0.005 0.000 0.303 70 W C 2.433 178.905 176.519 -0.079 0.000 1.208 70 W CA 0.996 58.310 57.345 -0.051 0.000 1.274 70 W CB -0.167 29.269 29.460 -0.040 0.000 1.138 70 W HN 0.091 nan 8.180 nan 0.000 0.515 71 Q N -0.211 119.698 119.800 0.182 0.000 2.084 71 Q HA -0.202 4.141 4.340 0.005 0.000 0.202 71 Q C 1.603 177.624 176.000 0.034 0.000 0.978 71 Q CA 1.569 57.426 55.803 0.089 0.000 0.844 71 Q CB -0.449 28.333 28.738 0.073 0.000 0.898 71 Q HN 0.272 nan 8.270 nan 0.000 0.426 72 D N 0.437 120.837 120.400 0.001 0.000 2.144 72 D HA -0.151 4.492 4.640 0.005 0.000 0.200 72 D C 1.765 177.996 176.300 -0.115 0.000 0.978 72 D CA 0.907 54.878 54.000 -0.048 0.000 0.833 72 D CB -0.192 40.572 40.800 -0.060 0.000 0.961 72 D HN 0.222 nan 8.370 nan 0.000 0.470 73 M N 0.537 120.045 119.600 -0.152 0.000 2.067 73 M HA -0.167 4.317 4.480 0.005 0.000 0.260 73 M C 1.922 178.047 176.300 -0.292 0.000 1.069 73 M CA 1.325 56.449 55.300 -0.293 0.000 1.117 73 M CB 0.022 32.461 32.600 -0.269 0.000 1.334 73 M HN -0.152 nan 8.290 nan 0.000 0.407 74 V N 1.028 120.891 119.914 -0.084 0.000 2.343 74 V HA -0.289 3.834 4.120 0.005 0.000 0.247 74 V C 1.863 178.011 176.094 0.090 0.000 1.051 74 V CA 2.126 64.448 62.300 0.037 0.000 1.036 74 V CB -1.046 30.757 31.823 -0.034 0.000 0.654 74 V HN 0.481 nan 8.190 nan 0.000 0.451 75 D N 0.584 121.024 120.400 0.067 0.000 2.144 75 D HA -0.088 4.555 4.640 0.005 0.000 0.200 75 D C 2.221 178.592 176.300 0.118 0.000 0.978 75 D CA 1.507 55.611 54.000 0.173 0.000 0.833 75 D CB -0.547 40.346 40.800 0.156 0.000 0.961 75 D HN 0.463 nan 8.370 nan 0.000 0.470 76 G N -0.100 108.667 108.800 -0.055 0.000 2.446 76 G HA2 -0.250 3.713 3.960 0.005 0.000 0.217 76 G HA3 -0.250 3.713 3.960 0.005 0.000 0.217 76 G C 1.598 176.488 174.900 -0.016 0.000 1.168 76 G CA 0.261 45.291 45.100 -0.117 0.000 0.771 76 G HN 0.277 nan 8.290 nan 0.000 0.551 77 F N 0.192 120.186 119.950 0.072 0.000 2.146 77 F HA -0.058 4.472 4.527 0.005 0.000 0.298 77 F C 2.973 178.803 175.800 0.049 0.000 1.096 77 F CA 1.133 59.171 58.000 0.064 0.000 1.275 77 F CB -0.056 39.008 39.000 0.108 0.000 1.008 77 F HN 0.140 nan 8.300 nan 0.000 0.480 78 Q N 1.158 121.105 119.800 0.244 0.000 2.170 78 Q HA -0.200 4.143 4.340 0.005 0.000 0.203 78 Q C 1.873 177.943 176.000 0.115 0.000 0.976 78 Q CA 1.503 57.359 55.803 0.088 0.000 0.858 78 Q CB -0.152 28.550 28.738 -0.059 0.000 0.907 78 Q HN 0.133 nan 8.270 nan 0.000 0.433 79 K N -0.481 120.059 120.400 0.233 0.000 2.032 79 K HA -0.102 4.222 4.320 0.005 0.000 0.209 79 K C 1.825 178.501 176.600 0.126 0.000 1.048 79 K CA 1.475 57.898 56.287 0.227 0.000 0.927 79 K CB -0.530 32.061 32.500 0.151 0.000 0.712 79 K HN 0.287 nan 8.250 nan 0.000 0.441 80 A N 0.116 122.999 122.820 0.106 0.000 1.877 80 A HA -0.205 4.119 4.320 0.005 0.000 0.216 80 A C 2.464 180.067 177.584 0.031 0.000 1.186 80 A CA 1.852 53.927 52.037 0.063 0.000 0.620 80 A CB -1.174 17.872 19.000 0.076 0.000 0.822 80 A HN 0.537 nan 8.150 nan 0.000 0.443 81 C N -0.767 118.549 119.300 0.028 0.000 2.413 81 C HA -0.121 4.343 4.460 0.005 0.000 0.276 81 C C 2.747 177.733 174.990 -0.007 0.000 1.248 81 C CA 1.303 60.314 59.018 -0.012 0.000 1.742 81 C CB -1.067 26.650 27.740 -0.039 0.000 2.017 81 C HN 0.565 nan 8.230 nan 0.000 0.481 82 M N 1.610 121.213 119.600 0.005 0.000 2.557 82 M HA -0.040 4.444 4.480 0.005 0.000 0.259 82 M C 2.130 178.465 176.300 0.059 0.000 1.086 82 M CA 1.256 56.570 55.300 0.022 0.000 1.096 82 M CB -1.327 31.308 32.600 0.058 0.000 1.424 82 M HN 0.606 nan 8.290 nan 0.000 0.488 83 S N -0.614 115.119 115.700 0.054 0.000 2.593 83 S HA 0.021 4.495 4.470 0.005 0.000 0.217 83 S C 0.939 175.569 174.600 0.050 0.000 0.966 83 S CA -0.045 58.186 58.200 0.052 0.000 0.914 83 S CB -0.852 62.372 63.200 0.040 0.000 0.776 83 S HN 0.528 nan 8.310 nan 0.000 0.523 84 T N -0.932 113.658 114.554 0.060 0.000 2.788 84 T HA 0.343 4.696 4.350 0.005 0.000 0.287 84 T C 0.997 175.781 174.700 0.139 0.000 1.007 84 T CA -0.724 61.436 62.100 0.100 0.000 1.005 84 T CB 1.044 70.006 68.868 0.157 0.000 1.012 84 T HN 0.280 nan 8.240 nan 0.000 0.530 85 R N -0.032 120.580 120.500 0.186 0.000 2.113 85 R HA -0.083 4.260 4.340 0.005 0.000 0.244 85 R C 2.035 178.429 176.300 0.157 0.000 1.142 85 R CA 1.760 57.955 56.100 0.157 0.000 0.953 85 R CB -0.573 29.825 30.300 0.164 0.000 0.860 85 R HN 0.782 nan 8.270 nan 0.000 0.438 86 L N -0.762 120.559 121.223 0.164 0.000 2.446 86 L HA 0.200 4.543 4.340 0.005 0.000 0.219 86 L C 1.067 178.082 176.870 0.241 0.000 1.116 86 L CA 0.424 55.380 54.840 0.193 0.000 0.844 86 L CB 0.139 42.242 42.059 0.073 0.000 0.970 86 L HN 0.600 nan 8.230 nan 0.000 0.457 87 G N 1.792 110.689 108.800 0.163 0.000 2.295 87 G HA2 -0.282 3.681 3.960 0.005 0.000 0.287 87 G HA3 -0.282 3.681 3.960 0.005 0.000 0.287 87 G C 0.061 174.987 174.900 0.042 0.000 1.055 87 G CA -0.130 45.041 45.100 0.118 0.000 0.922 87 G HN 0.310 nan 8.290 nan 0.000 0.503 88 I N 2.137 122.694 120.570 -0.021 0.000 2.337 88 I HA 0.220 4.393 4.170 0.005 0.000 0.291 88 I C -1.234 174.690 176.117 -0.322 0.000 1.046 88 I CA -2.084 59.090 61.300 -0.211 0.000 1.324 88 I CB 1.047 38.983 38.000 -0.106 0.000 1.409 88 I HN 0.038 nan 8.210 nan 0.000 0.494 89 P HA 0.111 nan 4.420 nan 0.000 0.271 89 P C -0.725 176.386 177.300 -0.314 0.000 1.218 89 P CA -0.479 62.363 63.100 -0.430 0.000 0.780 89 P CB 0.977 32.344 31.700 -0.555 0.000 0.901 90 M N 2.383 121.870 119.600 -0.188 0.000 2.283 90 M HA 0.538 5.021 4.480 0.005 0.000 0.314 90 M C -0.338 175.920 176.300 -0.069 0.000 1.153 90 M CA -0.336 54.896 55.300 -0.113 0.000 1.084 90 M CB 0.582 33.149 32.600 -0.055 0.000 1.468 90 M HN 0.251 nan 8.290 nan 0.000 0.474 91 I N 1.424 121.982 120.570 -0.020 0.000 2.433 91 I HA 0.433 4.606 4.170 0.005 0.000 0.292 91 I C -1.921 174.291 176.117 0.158 0.000 1.001 91 I CA -0.852 60.482 61.300 0.057 0.000 1.119 91 I CB 1.138 39.154 38.000 0.027 0.000 1.289 91 I HN 0.820 nan 8.210 nan 0.000 0.438 92 Y N 6.370 126.730 120.300 0.100 0.000 2.335 92 Y HA 0.654 5.208 4.550 0.005 0.000 0.339 92 Y C 0.303 176.263 175.900 0.101 0.000 0.987 92 Y CA -0.375 57.795 58.100 0.118 0.000 1.140 92 Y CB 1.488 40.022 38.460 0.122 0.000 1.173 92 Y HN 0.594 nan 8.280 nan 0.000 0.486 93 G N 5.881 114.692 108.800 0.018 0.000 2.454 93 G HA2 0.672 4.635 3.960 0.005 0.000 0.329 93 G HA3 0.672 4.635 3.960 0.005 0.000 0.329 93 G C -1.849 172.812 174.900 -0.398 0.000 1.177 93 G CA -0.701 44.156 45.100 -0.405 0.000 0.951 93 G HN 0.751 nan 8.290 nan 0.000 0.485 94 I N -0.629 119.520 120.570 -0.702 0.000 2.984 94 I HA 0.261 4.434 4.170 0.005 0.000 0.303 94 I C -1.360 174.604 176.117 -0.254 0.000 1.381 94 I CA -0.983 60.191 61.300 -0.210 0.000 0.988 94 I CB 2.600 40.624 38.000 0.039 0.000 1.307 94 I HN 0.357 nan 8.210 nan 0.000 0.460 95 D N 5.999 126.437 120.400 0.062 0.000 2.453 95 D HA 0.302 4.945 4.640 0.005 0.000 0.223 95 D C -0.319 175.941 176.300 -0.067 0.000 1.183 95 D CA 0.070 54.054 54.000 -0.026 0.000 0.933 95 D CB 1.225 41.902 40.800 -0.206 0.000 1.038 95 D HN 0.482 nan 8.370 nan 0.000 0.513 96 A N 2.349 125.112 122.820 -0.095 0.000 2.880 96 A HA 0.271 4.594 4.320 0.005 0.000 0.328 96 A C 1.232 178.789 177.584 -0.045 0.000 1.440 96 A CA -0.633 51.374 52.037 -0.051 0.000 1.068 96 A CB -0.074 18.878 19.000 -0.080 0.000 1.163 96 A HN 0.407 nan 8.150 nan 0.000 0.510 97 V N -0.565 119.339 119.914 -0.018 0.000 3.590 97 V HA 0.198 4.322 4.120 0.005 0.000 0.265 97 V C 0.639 176.806 176.094 0.121 0.000 1.239 97 V CA 1.450 63.729 62.300 -0.034 0.000 1.117 97 V CB -1.675 30.008 31.823 -0.233 0.000 0.818 97 V HN 0.982 nan 8.190 nan 0.000 0.451 98 H N -1.573 117.484 119.070 -0.021 0.000 3.080 98 H HA 0.639 5.198 4.556 0.005 0.000 0.211 98 H C 0.176 175.586 175.328 0.136 0.000 1.359 98 H CA -0.249 55.803 56.048 0.005 0.000 1.322 98 H CB 0.204 29.861 29.762 -0.176 0.000 2.164 98 H HN 0.694 nan 8.280 nan 0.000 0.526 99 G N 1.322 110.225 108.800 0.171 0.000 2.592 99 G HA2 -0.236 3.728 3.960 0.005 0.000 0.684 99 G HA3 -0.236 3.728 3.960 0.005 0.000 0.684 99 G C -0.634 174.277 174.900 0.018 0.000 1.291 99 G CA -0.541 44.663 45.100 0.174 0.000 0.891 99 G HN 0.567 nan 8.290 nan 0.000 0.544 100 Q N 0.648 120.433 119.800 -0.025 0.000 3.223 100 Q HA 0.255 4.598 4.340 0.005 0.000 0.299 100 Q C 1.795 177.752 176.000 -0.071 0.000 1.385 100 Q CA 0.958 56.712 55.803 -0.081 0.000 0.942 100 Q CB -1.023 27.632 28.738 -0.139 0.000 1.748 100 Q HN 0.728 nan 8.270 nan 0.000 0.523 101 N N 0.061 118.755 118.700 -0.009 0.000 2.417 101 N HA -0.232 4.511 4.740 0.005 0.000 0.187 101 N C 0.569 176.158 175.510 0.133 0.000 1.027 101 N CA 1.780 54.857 53.050 0.045 0.000 0.891 101 N CB -0.116 38.484 38.487 0.188 0.000 0.956 101 N HN 0.474 nan 8.380 nan 0.000 0.442 102 N N -0.989 117.790 118.700 0.132 0.000 2.446 102 N HA 0.079 4.822 4.740 0.005 0.000 0.179 102 N C -0.810 174.826 175.510 0.210 0.000 1.054 102 N CA 0.031 53.212 53.050 0.219 0.000 0.905 102 N CB 0.470 39.118 38.487 0.268 0.000 0.973 102 N HN 0.017 nan 8.380 nan 0.000 0.448 103 V N 1.545 121.488 119.914 0.049 0.000 2.465 103 V HA 0.073 4.196 4.120 0.005 0.000 0.279 103 V C -0.348 175.817 176.094 0.119 0.000 1.045 103 V CA -0.805 61.537 62.300 0.070 0.000 0.938 103 V CB 0.448 32.128 31.823 -0.238 0.000 0.986 103 V HN 0.151 nan 8.190 nan 0.000 0.467 104 Y N 4.040 124.416 120.300 0.127 0.000 2.620 104 Y HA 0.397 4.950 4.550 0.005 0.000 0.330 104 Y C 1.315 177.237 175.900 0.038 0.000 1.186 104 Y CA 1.276 59.426 58.100 0.082 0.000 1.467 104 Y CB 0.488 39.011 38.460 0.104 0.000 1.262 104 Y HN 0.967 nan 8.280 nan 0.000 0.550 105 G N 3.164 111.578 108.800 -0.644 0.000 2.179 105 G HA2 -0.225 3.739 3.960 0.005 0.000 0.260 105 G HA3 -0.225 3.739 3.960 0.005 0.000 0.260 105 G C 0.155 174.918 174.900 -0.229 0.000 0.977 105 G CA 0.013 44.843 45.100 -0.450 0.000 0.641 105 G HN 1.244 nan 8.290 nan 0.000 0.533 106 A N 0.231 122.941 122.820 -0.183 0.000 2.340 106 A HA 0.703 5.027 4.320 0.005 0.000 0.268 106 A C 0.816 178.286 177.584 -0.191 0.000 1.100 106 A CA 0.835 52.785 52.037 -0.144 0.000 0.803 106 A CB 0.377 19.303 19.000 -0.124 0.000 1.043 106 A HN 0.791 nan 8.150 nan 0.000 0.488 107 T N 3.002 117.443 114.554 -0.188 0.000 2.888 107 T HA 0.272 4.626 4.350 0.005 0.000 0.301 107 T C 0.154 174.584 174.700 -0.451 0.000 1.001 107 T CA 0.477 62.371 62.100 -0.342 0.000 1.147 107 T CB -0.155 68.471 68.868 -0.404 0.000 0.931 107 T HN 0.329 nan 8.240 nan 0.000 0.541 108 I N 4.802 125.077 120.570 -0.491 0.000 2.330 108 I HA 0.327 4.501 4.170 0.005 0.000 0.286 108 I C 0.013 175.833 176.117 -0.495 0.000 1.025 108 I CA -0.755 60.248 61.300 -0.495 0.000 1.197 108 I CB 0.061 37.816 38.000 -0.407 0.000 1.358 108 I HN 0.521 nan 8.210 nan 0.000 0.467 109 F N 7.005 126.804 119.950 -0.251 0.000 2.378 109 F HA 0.377 4.907 4.527 0.005 0.000 0.319 109 F C -1.710 174.060 175.800 -0.050 0.000 1.155 109 F CA -1.858 56.071 58.000 -0.118 0.000 1.157 109 F CB -0.114 38.836 39.000 -0.082 0.000 1.252 109 F HN 0.270 nan 8.300 nan 0.000 0.550 110 P HA 0.024 nan 4.420 nan 0.000 0.271 110 P C -0.487 176.908 177.300 0.158 0.000 1.218 110 P CA 0.106 63.306 63.100 0.166 0.000 0.780 110 P CB 0.339 32.140 31.700 0.168 0.000 0.901 111 H N 1.996 121.170 119.070 0.172 0.000 2.745 111 H HA 0.057 4.617 4.556 0.006 0.000 0.373 111 H C 1.454 176.778 175.328 -0.006 0.000 1.226 111 H CA 0.392 56.474 56.048 0.056 0.000 1.435 111 H CB 0.500 30.268 29.762 0.011 0.000 1.461 111 H HN 0.409 nan 8.280 nan 0.000 0.616 112 N N 0.978 119.700 118.700 0.037 0.000 2.091 112 N HA -0.182 4.561 4.740 0.005 0.000 0.193 112 N C 2.002 177.413 175.510 -0.166 0.000 1.021 112 N CA 0.950 53.856 53.050 -0.240 0.000 0.862 112 N CB -0.480 37.549 38.487 -0.763 0.000 1.018 112 N HN 0.366 nan 8.380 nan 0.000 0.429 113 V N 0.910 120.736 119.914 -0.147 0.000 2.392 113 V HA -0.156 3.968 4.120 0.005 0.000 0.249 113 V C 2.061 177.867 176.094 -0.481 0.000 1.059 113 V CA 2.387 64.519 62.300 -0.281 0.000 1.051 113 V CB -0.963 30.691 31.823 -0.280 0.000 0.658 113 V HN 0.388 nan 8.190 nan 0.000 0.455 114 G N -0.680 107.918 108.800 -0.336 0.000 2.408 114 G HA2 -0.164 3.799 3.960 0.005 0.000 0.217 114 G HA3 -0.164 3.799 3.960 0.005 0.000 0.217 114 G C 1.524 176.366 174.900 -0.098 0.000 1.150 114 G CA 0.937 45.847 45.100 -0.317 0.000 0.776 114 G HN 0.527 nan 8.290 nan 0.000 0.542 115 L N 0.856 122.083 121.223 0.006 0.000 2.131 115 L HA -0.003 4.340 4.340 0.005 0.000 0.210 115 L C 3.075 179.991 176.870 0.078 0.000 1.092 115 L CA 0.876 55.766 54.840 0.084 0.000 0.759 115 L CB -0.512 41.655 42.059 0.180 0.000 0.903 115 L HN 0.333 nan 8.230 nan 0.000 0.435 116 G N -0.448 108.392 108.800 0.066 0.000 2.422 116 G HA2 -0.184 3.780 3.960 0.005 0.000 0.218 116 G HA3 -0.184 3.780 3.960 0.005 0.000 0.218 116 G C 1.728 176.621 174.900 -0.012 0.000 1.140 116 G CA 0.660 45.786 45.100 0.043 0.000 0.775 116 G HN 0.457 nan 8.290 nan 0.000 0.545 117 A N 0.793 123.577 122.820 -0.061 0.000 2.121 117 A HA 0.032 4.355 4.320 0.005 0.000 0.218 117 A C 2.552 180.175 177.584 0.065 0.000 1.154 117 A CA 2.302 54.348 52.037 0.015 0.000 0.679 117 A CB -0.728 18.307 19.000 0.059 0.000 0.795 117 A HN 0.501 nan 8.150 nan 0.000 0.458 118 T N -4.295 110.288 114.554 0.048 0.000 3.043 118 T HA -0.025 4.329 4.350 0.005 0.000 0.263 118 T C 0.993 175.714 174.700 0.035 0.000 1.094 118 T CA 0.540 62.670 62.100 0.050 0.000 1.127 118 T CB -0.202 68.691 68.868 0.041 0.000 0.905 118 T HN 0.424 nan 8.240 nan 0.000 0.490 119 R N 1.372 121.884 120.500 0.021 0.000 3.741 119 R HA -0.135 4.208 4.340 0.005 0.000 0.292 119 R C -0.729 175.575 176.300 0.006 0.000 1.176 119 R CA 1.054 57.160 56.100 0.008 0.000 0.794 119 R CB -2.567 27.745 30.300 0.020 0.000 1.213 119 R HN 0.618 nan 8.270 nan 0.000 0.494 120 D N -0.222 120.181 120.400 0.006 0.000 2.462 120 D HA 0.304 4.947 4.640 0.005 0.000 0.249 120 D C -1.728 174.573 176.300 0.002 0.000 1.117 120 D CA -2.294 51.718 54.000 0.020 0.000 0.900 120 D CB 1.288 42.109 40.800 0.036 0.000 1.039 120 D HN -0.077 nan 8.370 nan 0.000 0.516 121 P HA -0.116 nan 4.420 nan 0.000 0.218 121 P C 1.090 178.398 177.300 0.014 0.000 1.149 121 P CA 0.609 63.691 63.100 -0.030 0.000 0.817 121 P CB 0.109 31.789 31.700 -0.033 0.000 0.785 122 Y N 0.529 120.792 120.300 -0.060 0.000 2.242 122 Y HA -0.136 4.417 4.550 0.005 0.000 0.291 122 Y C 2.031 177.897 175.900 -0.056 0.000 1.137 122 Y CA 0.964 59.032 58.100 -0.053 0.000 1.181 122 Y CB -1.031 37.406 38.460 -0.037 0.000 0.989 122 Y HN -0.206 nan 8.280 nan 0.000 0.527 123 L N -0.515 120.647 121.223 -0.102 0.000 2.046 123 L HA -0.147 4.196 4.340 0.005 0.000 0.208 123 L C 2.162 178.905 176.870 -0.211 0.000 1.077 123 L CA 1.790 56.526 54.840 -0.173 0.000 0.747 123 L CB -1.016 41.012 42.059 -0.052 0.000 0.896 123 L HN 0.094 nan 8.230 nan 0.000 0.432 124 V N -0.118 119.702 119.914 -0.156 0.000 2.515 124 V HA -0.264 3.860 4.120 0.005 0.000 0.250 124 V C 2.621 178.590 176.094 -0.209 0.000 1.058 124 V CA 1.944 64.147 62.300 -0.162 0.000 1.064 124 V CB -0.801 30.950 31.823 -0.121 0.000 0.675 124 V HN 0.549 nan 8.190 nan 0.000 0.461 125 K N 0.262 120.531 120.400 -0.218 0.000 2.097 125 K HA -0.147 4.176 4.320 0.005 0.000 0.205 125 K C 2.372 178.805 176.600 -0.278 0.000 1.050 125 K CA 1.253 57.411 56.287 -0.214 0.000 0.938 125 K CB -0.081 32.321 32.500 -0.165 0.000 0.718 125 K HN 0.348 nan 8.250 nan 0.000 0.442 126 R N 0.318 120.587 120.500 -0.385 0.000 2.092 126 R HA -0.032 4.312 4.340 0.005 0.000 0.231 126 R C 2.332 178.431 176.300 -0.336 0.000 1.119 126 R CA 1.396 57.282 56.100 -0.356 0.000 0.970 126 R CB -0.277 29.782 30.300 -0.403 0.000 0.864 126 R HN 0.266 nan 8.270 nan 0.000 0.440 127 I N 0.076 120.406 120.570 -0.400 0.000 2.286 127 I HA -0.179 3.995 4.170 0.005 0.000 0.248 127 I C 2.492 178.278 176.117 -0.552 0.000 1.115 127 I CA 1.369 62.272 61.300 -0.661 0.000 1.392 127 I CB -0.571 36.981 38.000 -0.748 0.000 1.065 127 I HN 0.310 nan 8.210 nan 0.000 0.418 128 G N 0.587 109.176 108.800 -0.352 0.000 2.418 128 G HA2 -0.216 3.748 3.960 0.005 0.000 0.217 128 G HA3 -0.216 3.748 3.960 0.005 0.000 0.217 128 G C 1.482 176.252 174.900 -0.217 0.000 1.158 128 G CA 0.550 45.500 45.100 -0.249 0.000 0.771 128 G HN 0.441 nan 8.290 nan 0.000 0.545 129 E N 0.763 120.837 120.200 -0.210 0.000 2.077 129 E HA -0.040 4.313 4.350 0.005 0.000 0.193 129 E C 2.909 179.393 176.600 -0.194 0.000 0.989 129 E CA 0.799 57.104 56.400 -0.157 0.000 0.800 129 E CB -0.220 29.404 29.700 -0.126 0.000 0.746 129 E HN 0.415 nan 8.360 nan 0.000 0.452 130 A N 1.216 123.848 122.820 -0.314 0.000 1.898 130 A HA -0.145 4.178 4.320 0.005 0.000 0.216 130 A C 2.396 179.770 177.584 -0.351 0.000 1.181 130 A CA 1.736 53.453 52.037 -0.533 0.000 0.620 130 A CB -0.820 17.771 19.000 -0.681 0.000 0.819 130 A HN 0.154 nan 8.150 nan 0.000 0.442 131 T N 0.271 114.659 114.554 -0.276 0.000 2.746 131 T HA -0.023 4.330 4.350 0.005 0.000 0.267 131 T C 2.213 176.850 174.700 -0.105 0.000 1.039 131 T CA 1.524 63.533 62.100 -0.151 0.000 1.142 131 T CB -0.409 68.345 68.868 -0.190 0.000 0.866 131 T HN 0.590 nan 8.240 nan 0.000 0.444 132 A N 1.301 124.055 122.820 -0.110 0.000 1.902 132 A HA 0.002 4.325 4.320 0.005 0.000 0.217 132 A C 2.294 179.853 177.584 -0.042 0.000 1.181 132 A CA 1.201 53.197 52.037 -0.069 0.000 0.623 132 A CB -0.838 18.125 19.000 -0.061 0.000 0.818 132 A HN 0.481 nan 8.150 nan 0.000 0.443 133 L N -0.706 120.500 121.223 -0.029 0.000 2.046 133 L HA -0.195 4.148 4.340 0.005 0.000 0.208 133 L C 2.536 179.427 176.870 0.036 0.000 1.077 133 L CA 1.578 56.435 54.840 0.029 0.000 0.747 133 L CB -0.632 41.494 42.059 0.113 0.000 0.896 133 L HN 0.475 nan 8.230 nan 0.000 0.432 134 E N -0.444 119.773 120.200 0.028 0.000 2.208 134 E HA -0.128 4.226 4.350 0.005 0.000 0.193 134 E C 2.266 178.831 176.600 -0.059 0.000 0.988 134 E CA 0.792 57.201 56.400 0.014 0.000 0.828 134 E CB 0.148 29.874 29.700 0.043 0.000 0.763 134 E HN 0.317 nan 8.360 nan 0.000 0.478 135 V N 1.155 121.027 119.914 -0.069 0.000 2.407 135 V HA -0.146 3.977 4.120 0.005 0.000 0.245 135 V C 2.197 178.240 176.094 -0.085 0.000 1.041 135 V CA 1.176 63.413 62.300 -0.105 0.000 1.040 135 V CB -0.274 31.495 31.823 -0.089 0.000 0.671 135 V HN 0.136 nan 8.190 nan 0.000 0.455 136 R N 0.389 120.862 120.500 -0.045 0.000 2.189 136 R HA 0.031 4.374 4.340 0.005 0.000 0.223 136 R C 2.258 178.547 176.300 -0.019 0.000 1.092 136 R CA 1.215 57.301 56.100 -0.023 0.000 0.989 136 R CB -0.928 29.368 30.300 -0.007 0.000 0.876 136 R HN 0.525 nan 8.270 nan 0.000 0.457 137 A N 0.596 123.400 122.820 -0.026 0.000 2.019 137 A HA -0.116 4.207 4.320 0.005 0.000 0.219 137 A C 1.831 179.401 177.584 -0.023 0.000 1.164 137 A CA 1.887 53.914 52.037 -0.016 0.000 0.644 137 A CB -0.408 18.582 19.000 -0.017 0.000 0.805 137 A HN 0.419 nan 8.150 nan 0.000 0.449 138 T N -5.134 109.376 114.554 -0.073 0.000 3.145 138 T HA 0.441 4.795 4.350 0.005 0.000 0.255 138 T C 1.260 175.961 174.700 0.002 0.000 1.039 138 T CA 0.947 63.008 62.100 -0.064 0.000 0.928 138 T CB 0.171 68.825 68.868 -0.357 0.000 1.029 138 T HN 1.610 nan 8.240 nan 0.000 0.554 139 G N 1.516 110.313 108.800 -0.005 0.000 2.179 139 G HA2 -0.226 3.737 3.960 0.005 0.000 0.260 139 G HA3 -0.226 3.737 3.960 0.005 0.000 0.260 139 G C 0.028 174.917 174.900 -0.018 0.000 0.977 139 G CA 0.110 45.215 45.100 0.008 0.000 0.641 139 G HN 0.661 nan 8.290 nan 0.000 0.533 140 I N 0.283 120.823 120.570 -0.049 0.000 2.472 140 I HA 0.377 4.550 4.170 0.005 0.000 0.290 140 I C 1.168 177.300 176.117 0.026 0.000 1.016 140 I CA -0.348 60.943 61.300 -0.015 0.000 1.348 140 I CB 1.579 39.550 38.000 -0.048 0.000 1.417 140 I HN 0.097 nan 8.210 nan 0.000 0.521 141 Q N 4.486 124.338 119.800 0.088 0.000 2.189 141 Q HA 0.242 4.585 4.340 0.005 0.000 0.223 141 Q C -0.818 175.262 176.000 0.134 0.000 0.828 141 Q CA 0.057 55.906 55.803 0.076 0.000 0.967 141 Q CB 0.694 29.466 28.738 0.057 0.000 1.139 141 Q HN 0.631 nan 8.270 nan 0.000 0.497 142 Y N 0.319 120.588 120.300 -0.052 0.000 2.386 142 Y HA 0.701 5.255 4.550 0.006 0.000 0.334 142 Y C -1.593 174.152 175.900 -0.257 0.000 1.002 142 Y CA -1.578 56.451 58.100 -0.118 0.000 1.068 142 Y CB 1.214 39.623 38.460 -0.086 0.000 1.203 142 Y HN -0.023 nan 8.280 nan 0.000 0.443 143 A N 6.097 128.819 122.820 -0.162 0.000 2.331 143 A HA 0.504 4.828 4.320 0.005 0.000 0.320 143 A C -1.401 175.952 177.584 -0.384 0.000 1.138 143 A CA -0.666 51.158 52.037 -0.354 0.000 0.790 143 A CB 0.237 19.151 19.000 -0.144 0.000 1.206 143 A HN 0.868 nan 8.150 nan 0.000 0.470 144 F N 2.303 122.063 119.950 -0.317 0.000 2.666 144 F HA 0.426 4.957 4.527 0.006 0.000 0.362 144 F C 1.060 176.732 175.800 -0.214 0.000 1.190 144 F CA 0.550 58.375 58.000 -0.290 0.000 1.328 144 F CB 0.004 38.842 39.000 -0.270 0.000 1.682 144 F HN 0.697 nan 8.300 nan 0.000 0.623 145 A N 1.946 124.765 122.820 -0.003 0.000 2.606 145 A HA 0.754 5.077 4.320 0.005 0.000 0.293 145 A C -2.927 174.647 177.584 -0.017 0.000 1.082 145 A CA -1.622 50.390 52.037 -0.042 0.000 0.685 145 A CB 1.914 20.875 19.000 -0.064 0.000 1.284 145 A HN 0.035 nan 8.150 nan 0.000 0.408 146 P HA 0.389 nan 4.420 nan 0.000 0.287 146 P C -0.433 176.832 177.300 -0.058 0.000 1.270 146 P CA -0.465 62.624 63.100 -0.018 0.000 0.844 146 P CB 1.494 33.237 31.700 0.072 0.000 1.068 147 C N 4.909 124.154 119.300 -0.091 0.000 2.349 147 C HA 0.404 4.867 4.460 0.005 0.000 0.348 147 C C 1.451 176.431 174.990 -0.015 0.000 1.223 147 C CA -0.587 58.370 59.018 -0.103 0.000 1.746 147 C CB -2.467 25.208 27.740 -0.107 0.000 2.360 147 C HN 0.505 nan 8.230 nan 0.000 0.533 148 I N 4.197 124.759 120.570 -0.013 0.000 3.731 148 I HA 0.455 4.628 4.170 0.005 0.000 0.341 148 I C 0.822 176.974 176.117 0.059 0.000 1.532 148 I CA -0.311 60.998 61.300 0.015 0.000 1.163 148 I CB -0.562 37.331 38.000 -0.178 0.000 1.339 148 I HN 0.630 nan 8.210 nan 0.000 0.449 149 A N 1.221 124.132 122.820 0.153 0.000 2.386 149 A HA 0.570 4.893 4.320 0.005 0.000 0.248 149 A C 0.145 177.855 177.584 0.210 0.000 1.082 149 A CA -0.178 52.007 52.037 0.246 0.000 0.789 149 A CB 0.831 20.080 19.000 0.415 0.000 1.025 149 A HN 0.303 nan 8.150 nan 0.000 0.490 150 V N 2.174 122.214 119.914 0.211 0.000 2.266 150 V HA 0.128 4.251 4.120 0.005 0.000 0.271 150 V C 0.220 176.410 176.094 0.160 0.000 1.032 150 V CA -0.658 61.721 62.300 0.132 0.000 0.806 150 V CB 0.385 32.203 31.823 -0.008 0.000 1.052 150 V HN 0.991 nan 8.190 nan 0.000 0.449 151 c N 6.837 125.565 118.600 0.213 0.000 2.648 151 c HA 0.188 4.761 4.570 0.005 0.000 0.406 151 c C 1.740 175.920 174.090 0.150 0.000 1.406 151 c CA -0.088 56.392 56.329 0.252 0.000 1.610 151 c CB -0.713 42.014 42.510 0.362 0.000 2.451 151 c HN 0.861 nan 8.230 nan 0.000 0.608 152 R N 2.716 123.280 120.500 0.108 0.000 2.397 152 R HA 0.205 4.548 4.340 0.005 0.000 0.241 152 R C -0.341 176.010 176.300 0.086 0.000 0.914 152 R CA 0.066 56.217 56.100 0.085 0.000 1.071 152 R CB 0.221 30.567 30.300 0.076 0.000 1.116 152 R HN 0.755 nan 8.270 nan 0.000 0.524 153 D N 0.543 121.004 120.400 0.101 0.000 2.613 153 D HA 0.120 4.763 4.640 0.005 0.000 0.230 153 D C -2.073 174.317 176.300 0.151 0.000 1.365 153 D CA -1.774 52.281 54.000 0.092 0.000 0.976 153 D CB 2.217 43.042 40.800 0.041 0.000 1.415 153 D HN -0.185 nan 8.370 nan 0.000 0.589 154 P HA -0.095 nan 4.420 nan 0.000 0.226 154 P C 0.950 178.330 177.300 0.134 0.000 1.146 154 P CA 0.393 63.589 63.100 0.160 0.000 0.773 154 P CB 0.380 32.189 31.700 0.181 0.000 0.772 155 R N -2.113 118.443 120.500 0.093 0.000 2.280 155 R HA -0.041 4.303 4.340 0.005 0.000 0.207 155 R C 0.794 177.175 176.300 0.135 0.000 1.043 155 R CA -0.001 56.133 56.100 0.058 0.000 1.006 155 R CB -0.324 29.980 30.300 0.006 0.000 0.885 155 R HN 0.237 nan 8.270 nan 0.000 0.467 156 W N 1.005 122.293 121.300 -0.020 0.000 2.253 156 W HA 0.126 4.789 4.660 0.005 0.000 0.322 156 W C 1.144 177.659 176.519 -0.007 0.000 1.342 156 W CA -0.890 56.445 57.345 -0.016 0.000 1.218 156 W CB 0.552 30.012 29.460 -0.001 0.000 1.205 156 W HN 0.046 nan 8.180 nan 0.000 0.551 157 G N 4.799 113.513 108.800 -0.142 0.000 2.535 157 G HA2 -0.219 3.744 3.960 0.005 0.000 0.218 157 G HA3 -0.219 3.744 3.960 0.005 0.000 0.218 157 G C 1.153 175.779 174.900 -0.457 0.000 1.122 157 G CA 0.361 45.316 45.100 -0.242 0.000 0.769 157 G HN 0.566 nan 8.290 nan 0.000 0.549 158 R N -0.936 118.806 120.500 -1.263 0.000 2.546 158 R HA 0.206 4.549 4.340 0.005 0.000 0.320 158 R C 1.468 177.047 176.300 -1.203 0.000 1.021 158 R CA -0.294 54.938 56.100 -1.447 0.000 1.088 158 R CB -0.366 28.918 30.300 -1.694 0.000 1.278 158 R HN 0.263 nan 8.270 nan 0.000 0.557 159 c N 1.328 119.585 118.600 -0.572 0.000 2.411 159 c HA -0.161 4.412 4.570 0.005 0.000 0.279 159 c C 2.440 176.459 174.090 -0.117 0.000 1.288 159 c CA 0.905 57.186 56.329 -0.081 0.000 1.764 159 c CB -0.743 41.856 42.510 0.150 0.000 1.974 159 c HN 0.684 nan 8.230 nan 0.000 0.498 160 Y N 0.655 120.869 120.300 -0.144 0.000 2.497 160 Y HA 0.117 4.670 4.550 0.005 0.000 0.292 160 Y C 1.855 177.608 175.900 -0.244 0.000 1.137 160 Y CA 1.195 59.191 58.100 -0.175 0.000 1.285 160 Y CB -1.214 37.115 38.460 -0.219 0.000 0.991 160 Y HN 0.361 nan 8.280 nan 0.000 0.556 161 E N 0.528 120.391 120.200 -0.561 0.000 2.489 161 E HA 0.029 4.382 4.350 0.005 0.000 0.193 161 E C 0.179 176.588 176.600 -0.318 0.000 1.057 161 E CA 0.290 56.442 56.400 -0.414 0.000 0.866 161 E CB 0.202 29.617 29.700 -0.475 0.000 0.916 161 E HN 0.279 nan 8.360 nan 0.000 0.500 162 S N -0.589 114.978 115.700 -0.221 0.000 2.462 162 S HA 0.175 4.649 4.470 0.005 0.000 0.294 162 S C 0.489 175.005 174.600 -0.140 0.000 1.144 162 S CA -0.637 57.495 58.200 -0.113 0.000 1.088 162 S CB 0.519 63.768 63.200 0.081 0.000 1.009 162 S HN 0.096 nan 8.310 nan 0.000 0.484 163 Y N 3.270 123.555 120.300 -0.025 0.000 2.352 163 Y HA 0.125 4.678 4.550 0.005 0.000 0.292 163 Y C 1.588 177.447 175.900 -0.068 0.000 1.136 163 Y CA 0.983 59.049 58.100 -0.056 0.000 1.227 163 Y CB 0.196 38.625 38.460 -0.053 0.000 0.991 163 Y HN 0.652 nan 8.280 nan 0.000 0.545 164 S N -1.575 114.194 115.700 0.114 0.000 2.645 164 S HA 0.087 4.560 4.470 0.005 0.000 0.268 164 S C -0.000 174.636 174.600 0.061 0.000 1.110 164 S CA -0.299 57.935 58.200 0.058 0.000 0.823 164 S CB 0.394 63.625 63.200 0.051 0.000 1.091 164 S HN 0.363 nan 8.310 nan 0.000 0.466 165 E N 0.648 120.879 120.200 0.052 0.000 2.442 165 E HA 0.097 4.450 4.350 0.005 0.000 0.195 165 E C -0.109 176.498 176.600 0.011 0.000 1.030 165 E CA 0.029 56.457 56.400 0.047 0.000 0.869 165 E CB 0.045 29.785 29.700 0.068 0.000 0.857 165 E HN 0.416 nan 8.360 nan 0.000 0.505 166 D N 1.445 121.852 120.400 0.011 0.000 2.359 166 D HA 0.040 4.683 4.640 0.005 0.000 0.230 166 D C 0.826 177.114 176.300 -0.019 0.000 1.118 166 D CA -0.518 53.475 54.000 -0.011 0.000 0.844 166 D CB 1.148 41.948 40.800 0.000 0.000 1.059 166 D HN 0.102 nan 8.370 nan 0.000 0.493 167 R N 3.543 124.016 120.500 -0.044 0.000 2.249 167 R HA -0.066 4.277 4.340 0.005 0.000 0.230 167 R C 1.590 177.866 176.300 -0.041 0.000 1.121 167 R CA 1.042 57.113 56.100 -0.047 0.000 0.997 167 R CB -0.422 29.834 30.300 -0.075 0.000 0.867 167 R HN 0.285 nan 8.270 nan 0.000 0.465 168 R N 0.393 120.872 120.500 -0.036 0.000 2.092 168 R HA 0.111 4.454 4.340 0.005 0.000 0.231 168 R C 2.080 178.353 176.300 -0.045 0.000 1.119 168 R CA 1.663 57.741 56.100 -0.036 0.000 0.970 168 R CB -0.315 29.969 30.300 -0.026 0.000 0.864 168 R HN 0.279 nan 8.270 nan 0.000 0.440 169 I N -0.077 120.470 120.570 -0.038 0.000 2.286 169 I HA -0.211 3.962 4.170 0.005 0.000 0.245 169 I C 2.063 178.117 176.117 -0.104 0.000 1.104 169 I CA 0.861 62.128 61.300 -0.054 0.000 1.397 169 I CB -0.143 37.846 38.000 -0.020 0.000 1.072 169 I HN -0.036 nan 8.210 nan 0.000 0.417 170 V N 0.699 120.575 119.914 -0.064 0.000 2.392 170 V HA -0.313 3.811 4.120 0.005 0.000 0.249 170 V C 2.423 178.421 176.094 -0.160 0.000 1.059 170 V CA 1.841 64.090 62.300 -0.084 0.000 1.051 170 V CB -0.802 31.035 31.823 0.023 0.000 0.658 170 V HN 0.492 nan 8.190 nan 0.000 0.455 171 Q N 0.430 120.163 119.800 -0.112 0.000 2.084 171 Q HA -0.179 4.164 4.340 0.005 0.000 0.202 171 Q C 2.480 178.400 176.000 -0.134 0.000 0.978 171 Q CA 2.001 57.739 55.803 -0.108 0.000 0.844 171 Q CB -0.347 28.351 28.738 -0.067 0.000 0.898 171 Q HN 0.805 nan 8.270 nan 0.000 0.426 172 S N -0.036 115.583 115.700 -0.136 0.000 2.447 172 S HA -0.047 4.426 4.470 0.005 0.000 0.233 172 S C 1.773 176.250 174.600 -0.204 0.000 1.006 172 S CA 0.660 58.780 58.200 -0.134 0.000 0.957 172 S CB 0.007 63.147 63.200 -0.101 0.000 0.773 172 S HN 0.189 nan 8.310 nan 0.000 0.507 173 M N 2.808 122.205 119.600 -0.339 0.000 2.618 173 M HA 0.081 4.564 4.480 0.005 0.000 0.240 173 M C 1.819 177.857 176.300 -0.437 0.000 1.123 173 M CA 1.043 56.015 55.300 -0.546 0.000 1.060 173 M CB -1.611 30.237 32.600 -1.253 0.000 1.535 173 M HN 0.672 nan 8.290 nan 0.000 0.507 174 T N -2.730 111.659 114.554 -0.274 0.000 3.163 174 T HA -0.025 4.328 4.350 0.005 0.000 0.260 174 T C 1.341 175.960 174.700 -0.136 0.000 1.156 174 T CA 0.553 62.546 62.100 -0.178 0.000 1.072 174 T CB -0.170 68.617 68.868 -0.135 0.000 0.937 174 T HN 0.181 nan 8.240 nan 0.000 0.528 175 E N 0.666 120.779 120.200 -0.145 0.000 2.401 175 E HA -0.003 4.350 4.350 0.005 0.000 0.199 175 E C 1.748 178.284 176.600 -0.106 0.000 1.023 175 E CA 0.213 56.549 56.400 -0.107 0.000 0.859 175 E CB -0.305 29.340 29.700 -0.091 0.000 0.780 175 E HN 0.508 nan 8.360 nan 0.000 0.523 176 L N 0.403 121.557 121.223 -0.115 0.000 2.093 176 L HA -0.126 4.217 4.340 0.005 0.000 0.208 176 L C 2.041 178.865 176.870 -0.077 0.000 1.085 176 L CA 1.150 55.932 54.840 -0.096 0.000 0.755 176 L CB -0.201 41.828 42.059 -0.051 0.000 0.904 176 L HN 0.049 nan 8.230 nan 0.000 0.435 177 I N 0.636 121.168 120.570 -0.063 0.000 2.099 177 I HA -0.216 3.958 4.170 0.005 0.000 0.239 177 I C -0.373 175.723 176.117 -0.035 0.000 1.066 177 I CA 1.572 62.847 61.300 -0.042 0.000 1.324 177 I CB -1.817 36.160 38.000 -0.038 0.000 1.037 177 I HN 0.282 nan 8.210 nan 0.000 0.401 178 P HA -0.107 nan 4.420 nan 0.000 0.225 178 P C 1.465 178.747 177.300 -0.030 0.000 1.148 178 P CA 1.707 64.785 63.100 -0.036 0.000 0.779 178 P CB -0.175 31.487 31.700 -0.063 0.000 0.780 179 G N 0.349 109.114 108.800 -0.059 0.000 2.396 179 G HA2 -0.121 3.843 3.960 0.005 0.000 0.214 179 G HA3 -0.121 3.843 3.960 0.005 0.000 0.214 179 G C 1.626 176.483 174.900 -0.071 0.000 1.166 179 G CA 0.211 45.262 45.100 -0.081 0.000 0.793 179 G HN 0.209 nan 8.290 nan 0.000 0.533 180 L N -0.353 120.832 121.223 -0.063 0.000 2.072 180 L HA 0.001 4.344 4.340 0.005 0.000 0.205 180 L C 2.987 179.841 176.870 -0.026 0.000 1.079 180 L CA 1.079 55.888 54.840 -0.052 0.000 0.752 180 L CB -0.162 41.871 42.059 -0.044 0.000 0.906 180 L HN 0.248 nan 8.230 nan 0.000 0.436 181 Q N -0.775 119.025 119.800 -0.000 0.000 2.392 181 Q HA 0.273 4.617 4.340 0.005 0.000 0.219 181 Q C 0.562 176.602 176.000 0.068 0.000 0.895 181 Q CA 0.433 56.247 55.803 0.018 0.000 0.929 181 Q CB 1.052 29.826 28.738 0.060 0.000 1.077 181 Q HN 0.443 nan 8.270 nan 0.000 0.532 182 G N 1.482 110.338 108.800 0.094 0.000 2.629 182 G HA2 -0.130 3.833 3.960 0.005 0.000 0.686 182 G HA3 -0.130 3.833 3.960 0.005 0.000 0.686 182 G C -1.483 173.527 174.900 0.184 0.000 1.232 182 G CA -0.919 44.273 45.100 0.153 0.000 0.803 182 G HN 0.040 nan 8.290 nan 0.000 0.638 183 D N 0.119 120.563 120.400 0.073 0.000 2.389 183 D HA 0.356 4.999 4.640 0.005 0.000 0.247 183 D C 1.379 177.492 176.300 -0.311 0.000 1.128 183 D CA 0.583 54.533 54.000 -0.084 0.000 0.884 183 D CB 1.681 42.441 40.800 -0.066 0.000 1.194 183 D HN 1.030 nan 8.370 nan 0.000 0.441 184 V N 0.658 120.216 119.914 -0.593 0.000 2.775 184 V HA 0.328 4.452 4.120 0.005 0.000 0.299 184 V C -2.186 173.583 176.094 -0.542 0.000 1.062 184 V CA -1.363 60.306 62.300 -1.052 0.000 1.063 184 V CB 0.171 31.183 31.823 -1.351 0.000 0.994 184 V HN 0.342 nan 8.190 nan 0.000 0.483 185 P HA 0.224 nan 4.420 nan 0.000 0.272 185 P C 0.354 177.629 177.300 -0.042 0.000 1.254 185 P CA -0.380 62.639 63.100 -0.134 0.000 0.795 185 P CB 0.463 32.138 31.700 -0.041 0.000 1.022 186 K N 0.748 121.142 120.400 -0.010 0.000 2.217 186 K HA -0.116 4.207 4.320 0.005 0.000 0.202 186 K C 0.917 177.538 176.600 0.034 0.000 1.051 186 K CA 1.487 57.779 56.287 0.009 0.000 0.952 186 K CB -0.583 31.918 32.500 0.001 0.000 0.736 186 K HN 0.528 nan 8.250 nan 0.000 0.453 187 D N -1.087 119.335 120.400 0.037 0.000 2.336 187 D HA -0.089 4.554 4.640 0.005 0.000 0.229 187 D C 0.030 176.348 176.300 0.030 0.000 1.061 187 D CA -0.306 53.709 54.000 0.025 0.000 0.875 187 D CB -0.354 40.456 40.800 0.016 0.000 0.904 187 D HN 0.031 nan 8.370 nan 0.000 0.525 188 F N 1.632 121.534 119.950 -0.080 0.000 2.572 188 F HA 0.193 4.723 4.527 0.005 0.000 0.370 188 F C 0.172 175.940 175.800 -0.055 0.000 1.103 188 F CA 0.147 58.093 58.000 -0.089 0.000 1.286 188 F CB 0.765 39.675 39.000 -0.150 0.000 1.105 188 F HN -0.209 nan 8.300 nan 0.000 0.583 189 T N 5.717 119.645 114.554 -1.043 0.000 2.770 189 T HA 0.132 4.485 4.350 0.005 0.000 0.297 189 T C -0.194 173.998 174.700 -0.848 0.000 0.997 189 T CA -0.471 61.218 62.100 -0.686 0.000 0.949 189 T CB 0.817 69.424 68.868 -0.433 0.000 0.941 189 T HN 0.728 nan 8.240 nan 0.000 0.457 190 S N 2.799 118.314 115.700 -0.308 0.000 2.702 190 S HA 0.288 4.761 4.470 0.005 0.000 0.314 190 S C 1.594 176.171 174.600 -0.038 0.000 1.244 190 S CA 1.346 59.536 58.200 -0.016 0.000 1.058 190 S CB -0.466 62.763 63.200 0.048 0.000 0.783 190 S HN 1.203 nan 8.310 nan 0.000 0.503 191 G N 4.353 113.227 108.800 0.124 0.000 2.259 191 G HA2 -0.188 3.776 3.960 0.005 0.000 0.217 191 G HA3 -0.188 3.776 3.960 0.005 0.000 0.217 191 G C 0.181 175.154 174.900 0.122 0.000 1.001 191 G CA 0.071 45.263 45.100 0.154 0.000 0.627 191 G HN 0.630 nan 8.290 nan 0.000 0.501 192 M N 2.601 122.204 119.600 0.006 0.000 2.242 192 M HA 0.347 4.831 4.480 0.005 0.000 0.344 192 M C -1.997 174.495 176.300 0.319 0.000 1.140 192 M CA -2.391 52.931 55.300 0.035 0.000 1.160 192 M CB 0.284 32.786 32.600 -0.164 0.000 1.491 192 M HN 0.134 nan 8.290 nan 0.000 0.459 193 P HA 0.392 nan 4.420 nan 0.000 0.282 193 P C -1.380 176.131 177.300 0.351 0.000 1.249 193 P CA -0.190 63.044 63.100 0.224 0.000 0.806 193 P CB 1.014 32.749 31.700 0.059 0.000 0.984 194 F N 2.226 122.243 119.950 0.112 0.000 2.628 194 F HA 0.503 5.033 4.527 0.004 0.000 0.309 194 F C -1.926 173.884 175.800 0.016 0.000 1.108 194 F CA -0.594 57.450 58.000 0.073 0.000 0.971 194 F CB 1.739 40.754 39.000 0.025 0.000 1.279 194 F HN 0.067 nan 8.300 nan 0.000 0.441 195 V N 5.799 125.152 119.914 -0.934 0.000 2.711 195 V HA 0.501 4.624 4.120 0.005 0.000 0.304 195 V C 0.367 175.877 176.094 -0.972 0.000 1.097 195 V CA -0.085 61.808 62.300 -0.677 0.000 0.906 195 V CB 1.225 32.876 31.823 -0.285 0.000 1.015 195 V HN 1.048 nan 8.190 nan 0.000 0.427 196 A N 3.358 125.774 122.820 -0.674 0.000 1.873 196 A HA 0.554 4.877 4.320 0.005 0.000 0.215 196 A C 1.179 178.654 177.584 -0.180 0.000 1.186 196 A CA 1.796 53.621 52.037 -0.353 0.000 0.616 196 A CB -0.259 18.724 19.000 -0.029 0.000 0.823 196 A HN 1.578 nan 8.150 nan 0.000 0.442 197 G N -1.709 107.015 108.800 -0.127 0.000 2.435 197 G HA2 0.343 4.307 3.960 0.005 0.000 0.296 197 G HA3 0.343 4.307 3.960 0.005 0.000 0.296 197 G C 0.163 175.040 174.900 -0.039 0.000 1.240 197 G CA 0.094 45.157 45.100 -0.062 0.000 0.872 197 G HN 0.300 nan 8.290 nan 0.000 0.480 198 K N -0.688 119.706 120.400 -0.011 0.000 2.504 198 K HA 0.020 4.343 4.320 0.005 0.000 0.195 198 K C 0.781 177.381 176.600 -0.000 0.000 1.036 198 K CA 1.556 57.842 56.287 -0.001 0.000 0.984 198 K CB -0.196 32.313 32.500 0.015 0.000 0.788 198 K HN 0.339 nan 8.250 nan 0.000 0.488 199 N N 0.436 119.134 118.700 -0.003 0.000 2.275 199 N HA 0.121 4.864 4.740 0.005 0.000 0.236 199 N C -0.778 174.726 175.510 -0.011 0.000 1.154 199 N CA -0.549 52.501 53.050 0.000 0.000 0.866 199 N CB 0.608 39.101 38.487 0.010 0.000 1.093 199 N HN -0.079 nan 8.380 nan 0.000 0.515 200 K N 0.288 120.675 120.400 -0.023 0.000 2.433 200 K HA 0.618 4.941 4.320 0.005 0.000 0.252 200 K C -0.736 175.845 176.600 -0.032 0.000 1.015 200 K CA -0.896 55.372 56.287 -0.033 0.000 0.860 200 K CB 2.503 34.974 32.500 -0.048 0.000 1.359 200 K HN -0.010 nan 8.250 nan 0.000 0.452 201 V N -2.508 117.390 119.914 -0.026 0.000 3.040 201 V HA 0.848 4.971 4.120 0.005 0.000 0.312 201 V C -0.388 175.711 176.094 0.009 0.000 1.115 201 V CA -1.313 60.985 62.300 -0.003 0.000 0.998 201 V CB 1.674 33.502 31.823 0.007 0.000 1.042 201 V HN 0.784 nan 8.190 nan 0.000 0.433 202 A N 1.752 124.594 122.820 0.037 0.000 2.401 202 A HA 0.867 5.190 4.320 0.005 0.000 0.259 202 A C 0.505 178.184 177.584 0.158 0.000 1.103 202 A CA 0.294 52.349 52.037 0.030 0.000 0.789 202 A CB 0.253 19.186 19.000 -0.112 0.000 1.035 202 A HN 2.196 nan 8.150 nan 0.000 0.491 203 A N 0.635 123.522 122.820 0.112 0.000 2.263 203 A HA 0.693 5.017 4.320 0.005 0.000 0.318 203 A C -0.213 177.486 177.584 0.193 0.000 1.111 203 A CA -0.113 52.000 52.037 0.127 0.000 0.901 203 A CB 0.786 19.817 19.000 0.052 0.000 1.280 203 A HN 1.964 nan 8.150 nan 0.000 0.503 204 C N 0.275 119.661 119.300 0.143 0.000 2.727 204 C HA 0.670 5.134 4.460 0.005 0.000 0.369 204 C C 0.116 175.132 174.990 0.042 0.000 1.067 204 C CA -0.041 59.066 59.018 0.147 0.000 1.273 204 C CB -0.375 27.534 27.740 0.280 0.000 1.778 204 C HN 1.356 nan 8.230 nan 0.000 0.467 205 A N 6.297 129.125 122.820 0.013 0.000 2.409 205 A HA 0.693 5.016 4.320 0.005 0.000 0.267 205 A C -0.131 177.479 177.584 0.043 0.000 1.127 205 A CA -0.013 52.012 52.037 -0.019 0.000 0.795 205 A CB 0.228 19.200 19.000 -0.048 0.000 1.061 205 A HN 0.976 nan 8.150 nan 0.000 0.502 206 K N 2.233 122.601 120.400 -0.054 0.000 2.512 206 K HA 0.662 4.985 4.320 0.005 0.000 0.263 206 K C -1.680 174.867 176.600 -0.088 0.000 0.966 206 K CA -0.936 55.262 56.287 -0.149 0.000 0.851 206 K CB 1.280 33.417 32.500 -0.605 0.000 1.395 206 K HN 0.668 nan 8.250 nan 0.000 0.440 207 H N 0.701 119.915 119.070 0.240 0.000 2.481 207 H HA 0.304 4.864 4.556 0.006 0.000 0.333 207 H C -1.500 173.967 175.328 0.231 0.000 1.066 207 H CA -0.621 55.546 56.048 0.199 0.000 1.209 207 H CB 0.990 30.825 29.762 0.121 0.000 1.445 207 H HN 0.488 nan 8.280 nan 0.000 0.488 208 F N 4.308 124.306 119.950 0.080 0.000 2.494 208 F HA 0.351 4.881 4.527 0.006 0.000 0.369 208 F C -0.343 175.369 175.800 -0.147 0.000 1.098 208 F CA 0.091 57.968 58.000 -0.205 0.000 1.154 208 F CB -0.012 38.757 39.000 -0.386 0.000 1.103 208 F HN 0.340 nan 8.300 nan 0.000 0.549 209 V N 5.416 125.007 119.914 -0.538 0.000 3.087 209 V HA 0.671 4.794 4.120 0.005 0.000 0.306 209 V C 0.066 175.910 176.094 -0.417 0.000 1.187 209 V CA -0.028 61.888 62.300 -0.640 0.000 0.999 209 V CB 1.724 32.720 31.823 -1.379 0.000 1.049 209 V HN 1.083 nan 8.190 nan 0.000 0.431 210 G N 3.915 112.534 108.800 -0.302 0.000 2.147 210 G HA2 -0.213 3.750 3.960 0.005 0.000 0.244 210 G HA3 -0.213 3.750 3.960 0.005 0.000 0.244 210 G C 0.328 174.983 174.900 -0.409 0.000 1.005 210 G CA 0.768 45.526 45.100 -0.570 0.000 0.713 210 G HN 1.266 nan 8.290 nan 0.000 0.515 211 D N 0.059 120.355 120.400 -0.172 0.000 2.218 211 D HA -0.008 4.635 4.640 0.005 0.000 0.204 211 D C 1.990 177.954 176.300 -0.560 0.000 0.976 211 D CA 1.365 55.258 54.000 -0.178 0.000 0.853 211 D CB -0.892 39.981 40.800 0.122 0.000 0.939 211 D HN 0.769 nan 8.370 nan 0.000 0.481 212 G N -0.301 108.267 108.800 -0.387 0.000 3.233 212 G HA2 0.306 4.269 3.960 0.005 0.000 0.227 212 G HA3 0.306 4.269 3.960 0.005 0.000 0.227 212 G C 1.036 175.736 174.900 -0.334 0.000 1.175 212 G CA 0.093 44.858 45.100 -0.558 0.000 0.781 212 G HN 0.443 nan 8.290 nan 0.000 0.542 213 G N 0.671 109.262 108.800 -0.348 0.000 3.899 213 G HA2 0.342 4.306 3.960 0.005 0.000 0.293 213 G HA3 0.342 4.306 3.960 0.005 0.000 0.293 213 G C 0.678 175.437 174.900 -0.235 0.000 1.054 213 G CA 0.302 45.290 45.100 -0.186 0.000 0.846 213 G HN 0.404 nan 8.290 nan 0.000 0.525 214 T N -2.084 112.266 114.554 -0.341 0.000 2.860 214 T HA 0.374 4.727 4.350 0.005 0.000 0.299 214 T C 0.603 175.210 174.700 -0.155 0.000 1.045 214 T CA -0.520 61.434 62.100 -0.243 0.000 1.071 214 T CB 2.075 70.768 68.868 -0.291 0.000 0.985 214 T HN 0.236 nan 8.240 nan 0.000 0.537 215 V N 2.965 122.820 119.914 -0.098 0.000 2.540 215 V HA 0.113 4.236 4.120 0.005 0.000 0.297 215 V C 0.291 176.352 176.094 -0.055 0.000 1.024 215 V CA 0.584 62.848 62.300 -0.061 0.000 1.105 215 V CB -0.956 30.841 31.823 -0.044 0.000 0.938 215 V HN 1.066 nan 8.190 nan 0.000 0.482 216 D N 4.369 124.745 120.400 -0.040 0.000 2.955 216 D HA -0.218 4.425 4.640 0.005 0.000 0.226 216 D C 1.092 177.381 176.300 -0.019 0.000 1.178 216 D CA 1.570 55.552 54.000 -0.029 0.000 0.808 216 D CB -1.442 39.343 40.800 -0.025 0.000 1.099 216 D HN 1.665 nan 8.370 nan 0.000 0.421 217 G N -0.061 108.710 108.800 -0.048 0.000 2.225 217 G HA2 -0.343 3.621 3.960 0.005 0.000 0.267 217 G HA3 -0.343 3.621 3.960 0.005 0.000 0.267 217 G C 0.396 175.313 174.900 0.028 0.000 1.024 217 G CA 0.335 45.414 45.100 -0.035 0.000 0.784 217 G HN 0.587 nan 8.290 nan 0.000 0.507 218 I N 0.774 121.332 120.570 -0.020 0.000 2.452 218 I HA 0.054 4.228 4.170 0.005 0.000 0.287 218 I C 1.170 177.321 176.117 0.057 0.000 1.079 218 I CA -0.279 61.043 61.300 0.037 0.000 1.387 218 I CB 0.602 38.605 38.000 0.004 0.000 1.404 218 I HN 0.280 nan 8.210 nan 0.000 0.522 219 N N 6.152 124.986 118.700 0.224 0.000 2.458 219 N HA -0.065 4.678 4.740 0.005 0.000 0.258 219 N C 0.232 175.844 175.510 0.169 0.000 1.219 219 N CA 0.198 53.456 53.050 0.346 0.000 0.902 219 N CB 0.405 39.108 38.487 0.360 0.000 1.076 219 N HN 0.677 nan 8.380 nan 0.000 0.455 220 E N -0.886 119.422 120.200 0.180 0.000 3.547 220 E HA -0.356 3.998 4.350 0.005 0.000 0.300 220 E C -0.076 176.563 176.600 0.065 0.000 0.857 220 E CA 0.458 56.940 56.400 0.137 0.000 1.039 220 E CB -1.198 28.544 29.700 0.071 0.000 1.524 220 E HN 0.669 nan 8.360 nan 0.000 0.457 221 N N 0.518 119.228 118.700 0.016 0.000 2.379 221 N HA 0.069 4.812 4.740 0.005 0.000 0.284 221 N C -0.009 175.493 175.510 -0.014 0.000 1.330 221 N CA -0.238 52.810 53.050 -0.003 0.000 0.933 221 N CB 0.397 38.871 38.487 -0.021 0.000 1.078 221 N HN -0.030 nan 8.380 nan 0.000 0.490 222 N N -0.209 118.474 118.700 -0.027 0.000 2.421 222 N HA 0.203 4.946 4.740 0.005 0.000 0.285 222 N C -1.658 173.826 175.510 -0.044 0.000 1.027 222 N CA 0.009 53.045 53.050 -0.024 0.000 0.918 222 N CB 1.067 39.541 38.487 -0.022 0.000 1.152 222 N HN 0.226 nan 8.380 nan 0.000 0.485 223 T N 4.476 119.016 114.554 -0.023 0.000 2.832 223 T HA 0.402 4.755 4.350 0.005 0.000 0.313 223 T C 0.511 175.246 174.700 0.058 0.000 1.035 223 T CA -0.318 61.765 62.100 -0.027 0.000 0.950 223 T CB -0.331 68.487 68.868 -0.085 0.000 0.984 223 T HN 0.350 nan 8.240 nan 0.000 0.486 224 I N 5.527 126.106 120.570 0.015 0.000 2.287 224 I HA 0.521 4.694 4.170 0.005 0.000 0.290 224 I C -0.053 176.096 176.117 0.054 0.000 1.069 224 I CA -0.210 61.096 61.300 0.010 0.000 1.237 224 I CB 0.183 38.168 38.000 -0.024 0.000 1.418 224 I HN 0.515 nan 8.210 nan 0.000 0.481 225 I N 5.322 125.969 120.570 0.129 0.000 3.066 225 I HA 0.305 4.479 4.170 0.005 0.000 0.307 225 I C -1.187 175.081 176.117 0.251 0.000 1.366 225 I CA -0.756 60.642 61.300 0.163 0.000 0.972 225 I CB 2.398 40.504 38.000 0.177 0.000 1.307 225 I HN 0.587 nan 8.210 nan 0.000 0.470 226 N N 4.036 122.843 118.700 0.179 0.000 2.424 226 N HA 0.250 4.993 4.740 0.005 0.000 0.257 226 N C 0.689 176.378 175.510 0.299 0.000 1.250 226 N CA -0.400 52.764 53.050 0.191 0.000 0.946 226 N CB 0.702 39.246 38.487 0.095 0.000 1.175 226 N HN 0.629 nan 8.380 nan 0.000 0.477 227 R N 0.021 120.729 120.500 0.347 0.000 2.091 227 R HA -0.206 4.138 4.340 0.005 0.000 0.238 227 R C 1.518 177.851 176.300 0.056 0.000 1.136 227 R CA 1.705 57.972 56.100 0.279 0.000 0.959 227 R CB -0.211 30.245 30.300 0.260 0.000 0.856 227 R HN 0.843 nan 8.270 nan 0.000 0.437 228 E N -1.219 119.017 120.200 0.059 0.000 2.077 228 E HA -0.148 4.206 4.350 0.005 0.000 0.193 228 E C 1.757 178.361 176.600 0.006 0.000 0.989 228 E CA 1.222 57.633 56.400 0.018 0.000 0.800 228 E CB -0.168 29.548 29.700 0.025 0.000 0.746 228 E HN 0.571 nan 8.360 nan 0.000 0.452 229 G N 1.361 110.181 108.800 0.034 0.000 2.421 229 G HA2 -0.200 3.763 3.960 0.005 0.000 0.217 229 G HA3 -0.200 3.763 3.960 0.005 0.000 0.217 229 G C 1.448 176.363 174.900 0.025 0.000 1.143 229 G CA 0.145 45.263 45.100 0.031 0.000 0.784 229 G HN 0.226 nan 8.290 nan 0.000 0.541 230 L N 0.296 121.518 121.223 -0.001 0.000 2.056 230 L HA 0.067 4.410 4.340 0.005 0.000 0.207 230 L C 2.442 179.229 176.870 -0.138 0.000 1.078 230 L CA 1.543 56.323 54.840 -0.101 0.000 0.749 230 L CB -0.523 41.274 42.059 -0.437 0.000 0.901 230 L HN 0.159 nan 8.230 nan 0.000 0.433 231 M N 0.555 120.067 119.600 -0.148 0.000 2.394 231 M HA -0.083 4.401 4.480 0.005 0.000 0.264 231 M C 1.408 177.675 176.300 -0.054 0.000 1.073 231 M CA 1.055 56.277 55.300 -0.129 0.000 1.111 231 M CB -1.303 31.219 32.600 -0.129 0.000 1.401 231 M HN 0.495 nan 8.290 nan 0.000 0.448 232 N N -0.303 118.369 118.700 -0.046 0.000 2.220 232 N HA 0.159 4.903 4.740 0.005 0.000 0.195 232 N C 1.265 176.733 175.510 -0.070 0.000 1.123 232 N CA 0.269 53.295 53.050 -0.039 0.000 0.874 232 N CB 0.128 38.598 38.487 -0.028 0.000 0.995 232 N HN 0.313 nan 8.380 nan 0.000 0.498 233 I N -0.743 119.757 120.570 -0.116 0.000 3.345 233 I HA 0.087 4.260 4.170 0.005 0.000 0.258 233 I C 1.136 177.065 176.117 -0.313 0.000 1.134 233 I CA 0.326 61.475 61.300 -0.251 0.000 1.457 233 I CB 0.063 37.825 38.000 -0.396 0.000 1.425 233 I HN 0.023 nan 8.210 nan 0.000 0.461 234 H N -0.484 118.551 119.070 -0.057 0.000 2.544 234 H HA 0.088 4.647 4.556 0.005 0.000 0.269 234 H C 1.695 177.038 175.328 0.026 0.000 0.970 234 H CA 0.749 56.772 56.048 -0.041 0.000 1.219 234 H CB 0.381 30.073 29.762 -0.117 0.000 1.421 234 H HN 0.155 nan 8.280 nan 0.000 0.555 235 M N 0.498 120.152 119.600 0.089 0.000 2.447 235 M HA 0.153 4.636 4.480 0.005 0.000 0.266 235 M C -1.215 175.217 176.300 0.219 0.000 1.120 235 M CA 0.093 55.489 55.300 0.160 0.000 1.166 235 M CB -0.186 32.424 32.600 0.017 0.000 1.349 235 M HN -0.053 nan 8.290 nan 0.000 0.463 236 P HA -0.233 nan 4.420 nan 0.000 0.219 236 P C 1.149 178.489 177.300 0.066 0.000 1.161 236 P CA 2.583 65.730 63.100 0.078 0.000 0.909 236 P CB -0.333 31.379 31.700 0.021 0.000 0.793 237 A N -2.177 120.652 122.820 0.016 0.000 1.978 237 A HA -0.234 4.089 4.320 0.005 0.000 0.220 237 A C 2.033 179.548 177.584 -0.116 0.000 1.170 237 A CA 1.517 53.505 52.037 -0.082 0.000 0.636 237 A CB -1.870 17.034 19.000 -0.160 0.000 0.810 237 A HN 0.214 nan 8.150 nan 0.000 0.448 238 Y N -0.385 119.950 120.300 0.058 0.000 2.293 238 Y HA -0.159 4.394 4.550 0.005 0.000 0.291 238 Y C 2.422 178.343 175.900 0.035 0.000 1.137 238 Y CA 1.700 59.836 58.100 0.060 0.000 1.202 238 Y CB -0.013 38.539 38.460 0.152 0.000 0.990 238 Y HN 0.303 nan 8.280 nan 0.000 0.537 239 K N 0.861 121.371 120.400 0.184 0.000 2.103 239 K HA -0.117 4.206 4.320 0.005 0.000 0.204 239 K C 1.276 177.917 176.600 0.069 0.000 1.052 239 K CA 1.696 58.053 56.287 0.116 0.000 0.945 239 K CB -0.344 32.220 32.500 0.107 0.000 0.722 239 K HN 0.216 nan 8.250 nan 0.000 0.443 240 N N 0.360 119.081 118.700 0.035 0.000 2.142 240 N HA -0.079 4.664 4.740 0.005 0.000 0.186 240 N C 1.592 177.103 175.510 0.001 0.000 1.023 240 N CA 1.533 54.586 53.050 0.004 0.000 0.852 240 N CB -0.395 38.072 38.487 -0.033 0.000 0.998 240 N HN 0.312 nan 8.380 nan 0.000 0.424 241 A N 0.909 123.720 122.820 -0.016 0.000 1.940 241 A HA -0.171 4.152 4.320 0.005 0.000 0.219 241 A C 2.028 179.643 177.584 0.051 0.000 1.176 241 A CA 1.336 53.364 52.037 -0.016 0.000 0.631 241 A CB -0.433 18.532 19.000 -0.059 0.000 0.814 241 A HN 0.130 nan 8.150 nan 0.000 0.446 242 M N 0.080 119.731 119.600 0.086 0.000 2.117 242 M HA -0.132 4.351 4.480 0.005 0.000 0.262 242 M C 1.273 177.705 176.300 0.220 0.000 1.065 242 M CA 1.428 56.824 55.300 0.159 0.000 1.114 242 M CB -1.547 31.130 32.600 0.129 0.000 1.361 242 M HN 0.353 nan 8.290 nan 0.000 0.408 243 D N 0.492 120.983 120.400 0.152 0.000 2.310 243 D HA -0.092 4.551 4.640 0.005 0.000 0.212 243 D C 1.275 177.634 176.300 0.098 0.000 0.965 243 D CA 0.967 55.073 54.000 0.177 0.000 0.879 243 D CB -0.123 40.730 40.800 0.087 0.000 0.921 243 D HN 0.428 nan 8.370 nan 0.000 0.510 244 K N -0.362 120.041 120.400 0.004 0.000 2.397 244 K HA 0.270 4.593 4.320 0.005 0.000 0.202 244 K C 0.864 177.339 176.600 -0.209 0.000 1.022 244 K CA 0.139 56.333 56.287 -0.156 0.000 1.141 244 K CB 1.012 33.454 32.500 -0.095 0.000 0.857 244 K HN 0.004 nan 8.250 nan 0.000 0.514 245 G N 1.933 110.707 108.800 -0.043 0.000 2.221 245 G HA2 -0.259 3.705 3.960 0.005 0.000 0.265 245 G HA3 -0.259 3.705 3.960 0.005 0.000 0.265 245 G C 0.155 175.172 174.900 0.195 0.000 1.041 245 G CA 0.210 45.403 45.100 0.155 0.000 0.807 245 G HN 0.277 nan 8.290 nan 0.000 0.502 246 V N 0.528 120.537 119.914 0.157 0.000 2.584 246 V HA 0.237 4.360 4.120 0.005 0.000 0.303 246 V C 1.693 177.923 176.094 0.226 0.000 1.035 246 V CA 1.503 63.881 62.300 0.131 0.000 1.172 246 V CB 0.854 32.712 31.823 0.058 0.000 0.896 246 V HN 0.511 nan 8.190 nan 0.000 0.486 247 S N 3.775 119.556 115.700 0.136 0.000 2.402 247 S HA -0.018 4.455 4.470 0.005 0.000 0.229 247 S C 0.731 175.339 174.600 0.014 0.000 1.021 247 S CA 1.223 59.462 58.200 0.065 0.000 0.974 247 S CB -0.108 63.058 63.200 -0.057 0.000 0.800 247 S HN 1.077 nan 8.310 nan 0.000 0.484 248 T N -1.851 112.713 114.554 0.017 0.000 2.841 248 T HA 0.724 5.077 4.350 0.005 0.000 0.296 248 T C -1.138 173.560 174.700 -0.004 0.000 1.166 248 T CA -0.782 61.288 62.100 -0.051 0.000 1.007 248 T CB 1.918 70.542 68.868 -0.406 0.000 1.253 248 T HN -0.165 nan 8.240 nan 0.000 0.511 249 V N 1.673 121.562 119.914 -0.041 0.000 2.733 249 V HA 0.558 4.682 4.120 0.005 0.000 0.306 249 V C -0.578 175.512 176.094 -0.007 0.000 1.084 249 V CA -0.856 61.375 62.300 -0.114 0.000 0.905 249 V CB 1.920 33.484 31.823 -0.430 0.000 1.010 249 V HN 1.085 nan 8.190 nan 0.000 0.424 250 M N 5.325 124.939 119.600 0.023 0.000 2.300 250 M HA 0.588 5.071 4.480 0.005 0.000 0.348 250 M C -1.110 175.216 176.300 0.043 0.000 1.151 250 M CA -0.630 54.684 55.300 0.024 0.000 1.046 250 M CB 1.123 33.706 32.600 -0.029 0.000 1.647 250 M HN 0.441 nan 8.290 nan 0.000 0.451 251 I N 2.727 123.282 120.570 -0.026 0.000 2.519 251 I HA 0.184 4.357 4.170 0.005 0.000 0.287 251 I C 0.566 176.626 176.117 -0.094 0.000 1.047 251 I CA 0.063 61.291 61.300 -0.119 0.000 1.381 251 I CB 1.143 38.871 38.000 -0.453 0.000 1.417 251 I HN 0.692 nan 8.210 nan 0.000 0.540 252 S N 4.192 119.898 115.700 0.010 0.000 2.592 252 S HA 0.216 4.689 4.470 0.005 0.000 0.271 252 S C 0.984 175.697 174.600 0.188 0.000 1.326 252 S CA -0.028 58.218 58.200 0.077 0.000 1.024 252 S CB 0.452 63.711 63.200 0.097 0.000 0.921 252 S HN 0.415 nan 8.310 nan 0.000 0.527 253 Y N 2.058 122.500 120.300 0.236 0.000 2.373 253 Y HA -0.006 4.548 4.550 0.006 0.000 0.293 253 Y C 1.955 177.949 175.900 0.157 0.000 1.129 253 Y CA 0.426 58.664 58.100 0.229 0.000 1.226 253 Y CB -0.255 38.283 38.460 0.129 0.000 1.000 253 Y HN 0.701 nan 8.280 nan 0.000 0.549 254 S N -0.065 115.784 115.700 0.249 0.000 2.587 254 S HA 0.188 4.662 4.470 0.005 0.000 0.260 254 S C 0.109 174.778 174.600 0.114 0.000 1.353 254 S CA -0.754 57.520 58.200 0.123 0.000 0.995 254 S CB 1.141 64.350 63.200 0.016 0.000 0.912 254 S HN 0.078 nan 8.310 nan 0.000 0.568 255 S N 0.083 115.830 115.700 0.079 0.000 2.600 255 S HA 0.555 5.028 4.470 0.005 0.000 0.300 255 S C -1.454 173.222 174.600 0.127 0.000 1.087 255 S CA -0.627 57.632 58.200 0.098 0.000 0.965 255 S CB 0.923 64.165 63.200 0.071 0.000 1.089 255 S HN 0.809 nan 8.310 nan 0.000 0.496 256 W N 3.133 124.389 121.300 -0.073 0.000 2.361 256 W HA 0.458 5.122 4.660 0.006 0.000 0.314 256 W C -0.374 176.103 176.519 -0.069 0.000 1.041 256 W CA -0.993 56.291 57.345 -0.101 0.000 1.241 256 W CB -0.274 29.107 29.460 -0.131 0.000 1.279 256 W HN 0.748 nan 8.180 nan 0.000 0.436 257 N N 4.436 122.946 118.700 -0.317 0.000 2.714 257 N HA -0.206 4.537 4.740 0.005 0.000 0.252 257 N C 1.005 176.359 175.510 -0.260 0.000 1.014 257 N CA 2.229 55.033 53.050 -0.410 0.000 0.735 257 N CB -1.230 36.786 38.487 -0.784 0.000 0.924 257 N HN 1.276 nan 8.380 nan 0.000 0.540 258 G N -2.965 105.760 108.800 -0.126 0.000 2.253 258 G HA2 -0.337 3.626 3.960 0.005 0.000 0.251 258 G HA3 -0.337 3.626 3.960 0.005 0.000 0.251 258 G C 0.040 174.921 174.900 -0.032 0.000 0.998 258 G CA 0.282 45.339 45.100 -0.073 0.000 0.621 258 G HN 0.492 nan 8.290 nan 0.000 0.524 259 V N 2.919 122.813 119.914 -0.032 0.000 2.406 259 V HA 0.401 4.524 4.120 0.005 0.000 0.272 259 V C 0.600 176.750 176.094 0.094 0.000 1.043 259 V CA -1.120 61.199 62.300 0.033 0.000 0.915 259 V CB 1.610 33.452 31.823 0.031 0.000 0.988 259 V HN 0.222 nan 8.190 nan 0.000 0.466 260 K N 5.126 125.592 120.400 0.108 0.000 2.447 260 K HA 0.136 4.459 4.320 0.005 0.000 0.281 260 K C 1.063 177.759 176.600 0.160 0.000 1.031 260 K CA -0.123 56.252 56.287 0.146 0.000 1.019 260 K CB 0.650 33.247 32.500 0.161 0.000 0.918 260 K HN 0.506 nan 8.250 nan 0.000 0.476 261 M N 1.834 121.530 119.600 0.160 0.000 2.202 261 M HA -0.148 4.335 4.480 0.005 0.000 0.262 261 M C 1.462 177.809 176.300 0.077 0.000 1.063 261 M CA 1.620 56.982 55.300 0.103 0.000 1.097 261 M CB -0.652 31.972 32.600 0.040 0.000 1.382 261 M HN 0.512 nan 8.290 nan 0.000 0.413 262 H N -1.105 118.027 119.070 0.103 0.000 2.563 262 H HA 0.167 4.727 4.556 0.005 0.000 0.272 262 H C 0.916 176.278 175.328 0.055 0.000 1.005 262 H CA 1.047 57.145 56.048 0.084 0.000 1.171 262 H CB 0.348 30.163 29.762 0.088 0.000 1.351 262 H HN 0.347 nan 8.280 nan 0.000 0.602 263 A N 0.353 123.262 122.820 0.148 0.000 2.635 263 A HA 0.032 4.355 4.320 0.005 0.000 0.279 263 A C 0.419 178.057 177.584 0.089 0.000 1.122 263 A CA -0.410 51.680 52.037 0.087 0.000 0.965 263 A CB 0.323 19.367 19.000 0.074 0.000 1.221 263 A HN 0.064 nan 8.150 nan 0.000 0.566 264 N N 1.317 120.081 118.700 0.107 0.000 2.521 264 N HA 0.064 4.807 4.740 0.005 0.000 0.236 264 N C 0.634 176.215 175.510 0.118 0.000 1.067 264 N CA 0.047 53.170 53.050 0.122 0.000 0.939 264 N CB 0.848 39.428 38.487 0.154 0.000 1.201 264 N HN 0.564 nan 8.380 nan 0.000 0.511 265 Q N 2.278 122.137 119.800 0.098 0.000 2.230 265 Q HA -0.105 4.238 4.340 0.005 0.000 0.202 265 Q C 0.306 176.371 176.000 0.109 0.000 0.963 265 Q CA 0.968 56.824 55.803 0.088 0.000 0.866 265 Q CB 0.366 29.143 28.738 0.065 0.000 0.931 265 Q HN 0.569 nan 8.270 nan 0.000 0.452 266 D N 0.434 120.910 120.400 0.126 0.000 2.097 266 D HA -0.160 4.484 4.640 0.005 0.000 0.195 266 D C 1.949 178.358 176.300 0.182 0.000 0.989 266 D CA 1.133 55.220 54.000 0.145 0.000 0.827 266 D CB 0.017 40.914 40.800 0.161 0.000 0.966 266 D HN 0.313 nan 8.370 nan 0.000 0.456 267 L N 0.303 121.646 121.223 0.199 0.000 2.127 267 L HA -0.075 4.269 4.340 0.005 0.000 0.203 267 L C 2.599 179.679 176.870 0.350 0.000 1.080 267 L CA 0.335 55.333 54.840 0.265 0.000 0.768 267 L CB -0.219 41.936 42.059 0.159 0.000 0.924 267 L HN -0.100 nan 8.230 nan 0.000 0.444 268 V N -0.554 119.506 119.914 0.244 0.000 2.270 268 V HA -0.232 3.891 4.120 0.005 0.000 0.245 268 V C 2.430 178.552 176.094 0.046 0.000 1.043 268 V CA 2.393 64.755 62.300 0.104 0.000 1.014 268 V CB -0.567 31.302 31.823 0.075 0.000 0.645 268 V HN 0.438 nan 8.190 nan 0.000 0.447 269 T N -0.189 114.409 114.554 0.074 0.000 2.866 269 T HA 0.069 4.422 4.350 0.005 0.000 0.250 269 T C 1.916 176.655 174.700 0.066 0.000 1.033 269 T CA 1.093 63.226 62.100 0.055 0.000 1.145 269 T CB -0.576 68.321 68.868 0.049 0.000 0.866 269 T HN 0.547 nan 8.240 nan 0.000 0.434 270 G N -0.100 108.760 108.800 0.100 0.000 2.446 270 G HA2 -0.226 3.738 3.960 0.005 0.000 0.217 270 G HA3 -0.226 3.738 3.960 0.005 0.000 0.217 270 G C 1.374 176.366 174.900 0.153 0.000 1.168 270 G CA 0.866 46.036 45.100 0.117 0.000 0.771 270 G HN 0.467 nan 8.290 nan 0.000 0.551 271 Y N -0.169 120.168 120.300 0.061 0.000 2.265 271 Y HA 0.301 4.855 4.550 0.006 0.000 0.290 271 Y C 2.468 178.391 175.900 0.039 0.000 1.137 271 Y CA 0.561 58.699 58.100 0.063 0.000 1.147 271 Y CB -0.542 37.974 38.460 0.093 0.000 1.104 271 Y HN 0.075 nan 8.280 nan 0.000 0.514 272 L N 1.109 122.349 121.223 0.028 0.000 1.990 272 L HA -0.222 4.121 4.340 0.005 0.000 0.213 272 L C 2.011 178.826 176.870 -0.092 0.000 1.072 272 L CA 2.162 56.893 54.840 -0.181 0.000 0.755 272 L CB -0.707 41.067 42.059 -0.475 0.000 0.889 272 L HN 0.172 nan 8.230 nan 0.000 0.432 273 K N -1.084 119.302 120.400 -0.024 0.000 2.044 273 K HA -0.051 4.272 4.320 0.005 0.000 0.204 273 K C 1.751 178.339 176.600 -0.019 0.000 1.045 273 K CA 1.284 57.581 56.287 0.018 0.000 0.951 273 K CB -0.192 32.323 32.500 0.025 0.000 0.738 273 K HN 0.319 nan 8.250 nan 0.000 0.443 274 D N 0.051 120.436 120.400 -0.025 0.000 2.162 274 D HA -0.054 4.589 4.640 0.005 0.000 0.203 274 D C 1.727 177.989 176.300 -0.063 0.000 0.967 274 D CA 1.199 55.181 54.000 -0.029 0.000 0.840 274 D CB -0.010 40.791 40.800 0.000 0.000 0.972 274 D HN 0.110 nan 8.370 nan 0.000 0.482 275 T N 0.519 114.994 114.554 -0.132 0.000 2.953 275 T HA 0.141 4.495 4.350 0.005 0.000 0.247 275 T C 2.043 176.596 174.700 -0.246 0.000 1.029 275 T CA 0.129 62.107 62.100 -0.203 0.000 1.144 275 T CB 0.097 68.772 68.868 -0.321 0.000 0.870 275 T HN 0.031 nan 8.240 nan 0.000 0.446 276 L N 0.624 121.653 121.223 -0.324 0.000 2.554 276 L HA 0.141 4.484 4.340 0.005 0.000 0.226 276 L C 0.448 177.281 176.870 -0.062 0.000 1.137 276 L CA 0.278 54.997 54.840 -0.202 0.000 0.863 276 L CB -0.154 41.776 42.059 -0.215 0.000 0.985 276 L HN 0.143 nan 8.230 nan 0.000 0.451 277 K N -0.423 119.946 120.400 -0.052 0.000 3.129 277 K HA -0.239 4.084 4.320 0.005 0.000 0.273 277 K C -0.089 176.537 176.600 0.042 0.000 1.123 277 K CA 0.536 56.812 56.287 -0.018 0.000 0.800 277 K CB -2.472 30.005 32.500 -0.038 0.000 1.238 277 K HN 0.159 nan 8.250 nan 0.000 0.492 278 F N 1.551 121.446 119.950 -0.090 0.000 2.578 278 F HA 0.082 4.612 4.527 0.006 0.000 0.381 278 F C 1.237 177.009 175.800 -0.045 0.000 1.069 278 F CA 0.069 58.029 58.000 -0.067 0.000 1.231 278 F CB 0.646 39.585 39.000 -0.102 0.000 1.086 278 F HN -0.096 nan 8.300 nan 0.000 0.564 279 K N 3.877 123.925 120.400 -0.587 0.000 2.358 279 K HA 0.309 4.632 4.320 0.005 0.000 0.200 279 K C 0.919 177.106 176.600 -0.689 0.000 1.030 279 K CA 0.251 56.235 56.287 -0.505 0.000 1.097 279 K CB 0.400 32.760 32.500 -0.234 0.000 0.862 279 K HN 0.745 nan 8.250 nan 0.000 0.534 280 G N -0.095 107.836 108.800 -1.450 0.000 2.509 280 G HA2 0.364 4.328 3.960 0.005 0.000 0.269 280 G HA3 0.364 4.328 3.960 0.005 0.000 0.269 280 G C -0.538 174.026 174.900 -0.561 0.000 1.416 280 G CA -0.564 44.033 45.100 -0.839 0.000 1.052 280 G HN 0.174 nan 8.290 nan 0.000 0.542 281 F N -1.611 118.265 119.950 -0.123 0.000 2.507 281 F HA 0.734 5.264 4.527 0.005 0.000 0.327 281 F C -0.522 175.426 175.800 0.247 0.000 1.068 281 F CA -1.735 56.283 58.000 0.030 0.000 0.965 281 F CB 1.619 40.623 39.000 0.006 0.000 1.192 281 F HN 0.233 nan 8.300 nan 0.000 0.476 282 V N 4.700 124.891 119.914 0.463 0.000 2.407 282 V HA 0.401 4.525 4.120 0.005 0.000 0.278 282 V C -0.087 176.204 176.094 0.327 0.000 1.037 282 V CA -0.673 61.813 62.300 0.310 0.000 0.900 282 V CB 1.232 33.154 31.823 0.166 0.000 0.983 282 V HN 0.884 nan 8.190 nan 0.000 0.459 283 I N 4.081 124.818 120.570 0.277 0.000 2.603 283 I HA 0.595 4.768 4.170 0.005 0.000 0.300 283 I C 0.673 176.866 176.117 0.126 0.000 1.017 283 I CA -0.169 61.283 61.300 0.253 0.000 1.098 283 I CB 2.298 40.524 38.000 0.376 0.000 1.279 283 I HN 0.798 nan 8.210 nan 0.000 0.437 284 S N 4.795 120.568 115.700 0.121 0.000 2.655 284 S HA 0.299 4.772 4.470 0.005 0.000 0.265 284 S C -0.256 174.426 174.600 0.136 0.000 1.240 284 S CA -0.575 57.743 58.200 0.197 0.000 0.986 284 S CB 1.370 64.726 63.200 0.260 0.000 0.985 284 S HN 0.688 nan 8.310 nan 0.000 0.562 285 D N -0.508 120.021 120.400 0.215 0.000 2.466 285 D HA 0.116 4.759 4.640 0.005 0.000 0.262 285 D C -0.611 175.751 176.300 0.104 0.000 1.177 285 D CA -0.761 53.227 54.000 -0.020 0.000 1.035 285 D CB 0.664 41.182 40.800 -0.471 0.000 1.105 285 D HN 0.705 nan 8.370 nan 0.000 0.551 286 W N 2.097 123.403 121.300 0.009 0.000 2.607 286 W HA 0.011 4.674 4.660 0.005 0.000 0.336 286 W C -0.047 176.591 176.519 0.198 0.000 1.439 286 W CA 0.573 57.981 57.345 0.104 0.000 1.346 286 W CB -0.709 28.822 29.460 0.119 0.000 1.425 286 W HN 0.631 nan 8.180 nan 0.000 0.565 287 E N 2.304 122.528 120.200 0.040 0.000 2.476 287 E HA -0.240 4.114 4.350 0.005 0.000 0.251 287 E C 1.361 178.057 176.600 0.160 0.000 1.130 287 E CA 0.477 56.920 56.400 0.072 0.000 0.736 287 E CB -1.272 28.504 29.700 0.126 0.000 1.298 287 E HN 0.730 nan 8.360 nan 0.000 0.400 288 G N 0.987 109.831 108.800 0.073 0.000 2.402 288 G HA2 -0.193 3.770 3.960 0.005 0.000 0.216 288 G HA3 -0.193 3.770 3.960 0.005 0.000 0.216 288 G C 1.450 176.093 174.900 -0.428 0.000 1.162 288 G CA 0.891 45.812 45.100 -0.300 0.000 0.777 288 G HN 0.532 nan 8.290 nan 0.000 0.539 289 I N -1.068 119.397 120.570 -0.175 0.000 2.546 289 I HA 0.016 4.189 4.170 0.005 0.000 0.255 289 I C 1.622 177.752 176.117 0.023 0.000 1.163 289 I CA 1.553 62.817 61.300 -0.060 0.000 1.457 289 I CB -0.298 37.687 38.000 -0.025 0.000 1.092 289 I HN -0.088 nan 8.210 nan 0.000 0.434 290 D N 1.877 122.341 120.400 0.107 0.000 2.144 290 D HA -0.134 4.509 4.640 0.005 0.000 0.199 290 D C 1.898 178.263 176.300 0.109 0.000 0.984 290 D CA 1.272 55.380 54.000 0.180 0.000 0.834 290 D CB -0.261 40.641 40.800 0.170 0.000 0.955 290 D HN 0.431 nan 8.370 nan 0.000 0.465 291 R N 0.150 120.687 120.500 0.062 0.000 2.325 291 R HA 0.234 4.578 4.340 0.005 0.000 0.214 291 R C 1.472 177.813 176.300 0.069 0.000 0.961 291 R CA -0.058 56.070 56.100 0.048 0.000 1.086 291 R CB 0.020 30.324 30.300 0.007 0.000 1.037 291 R HN 0.278 nan 8.270 nan 0.000 0.493 292 I N 0.570 121.187 120.570 0.080 0.000 2.617 292 I HA -0.116 4.057 4.170 0.005 0.000 0.256 292 I C 1.139 177.345 176.117 0.148 0.000 1.167 292 I CA 0.840 62.207 61.300 0.112 0.000 1.469 292 I CB 0.014 38.064 38.000 0.084 0.000 1.098 292 I HN 0.193 nan 8.210 nan 0.000 0.436 293 T N -2.843 111.799 114.554 0.146 0.000 2.948 293 T HA 0.419 4.772 4.350 0.005 0.000 0.285 293 T C -0.113 174.641 174.700 0.091 0.000 1.019 293 T CA -0.581 61.605 62.100 0.143 0.000 1.013 293 T CB 2.251 71.222 68.868 0.173 0.000 1.117 293 T HN -0.032 nan 8.240 nan 0.000 0.533 294 T N 1.947 116.541 114.554 0.068 0.000 3.011 294 T HA 0.551 4.904 4.350 0.005 0.000 0.303 294 T C -2.537 172.184 174.700 0.035 0.000 0.997 294 T CA -1.183 60.944 62.100 0.045 0.000 1.007 294 T CB 0.646 69.534 68.868 0.034 0.000 1.017 294 T HN 0.801 nan 8.240 nan 0.000 0.443 295 P HA 0.446 nan 4.420 nan 0.000 0.271 295 P C -0.314 177.017 177.300 0.051 0.000 1.244 295 P CA -0.578 62.543 63.100 0.035 0.000 0.793 295 P CB 0.304 32.020 31.700 0.027 0.000 0.984 296 A N -0.101 122.747 122.820 0.047 0.000 2.462 296 A HA 0.453 4.777 4.320 0.005 0.000 0.243 296 A C 1.371 179.001 177.584 0.077 0.000 1.076 296 A CA 0.340 52.414 52.037 0.062 0.000 0.773 296 A CB -0.979 18.046 19.000 0.043 0.000 1.010 296 A HN 1.033 nan 8.150 nan 0.000 0.493 297 G N 0.980 109.852 108.800 0.121 0.000 2.168 297 G HA2 -0.284 3.680 3.960 0.005 0.000 0.257 297 G HA3 -0.284 3.680 3.960 0.005 0.000 0.257 297 G C 1.034 176.008 174.900 0.124 0.000 0.997 297 G CA 1.429 46.615 45.100 0.144 0.000 0.708 297 G HN 2.068 nan 8.290 nan 0.000 0.520 298 S N -1.586 114.183 115.700 0.116 0.000 2.527 298 S HA 0.273 4.746 4.470 0.005 0.000 0.222 298 S C 0.728 175.398 174.600 0.117 0.000 0.985 298 S CA 1.045 59.301 58.200 0.093 0.000 0.921 298 S CB 0.494 63.734 63.200 0.067 0.000 0.772 298 S HN 0.400 nan 8.310 nan 0.000 0.529 299 D N -0.189 120.315 120.400 0.173 0.000 2.978 299 D HA 0.181 4.824 4.640 0.005 0.000 0.268 299 D C -0.093 176.361 176.300 0.257 0.000 1.252 299 D CA -0.612 53.506 54.000 0.196 0.000 0.771 299 D CB -0.279 40.630 40.800 0.182 0.000 1.361 299 D HN 0.061 nan 8.370 nan 0.000 0.558 300 Y N 1.229 121.593 120.300 0.107 0.000 2.193 300 Y HA -0.220 4.333 4.550 0.005 0.000 0.285 300 Y C 2.306 178.281 175.900 0.126 0.000 1.166 300 Y CA 2.234 60.395 58.100 0.101 0.000 1.181 300 Y CB -0.181 38.321 38.460 0.070 0.000 0.976 300 Y HN 0.318 nan 8.280 nan 0.000 0.520 301 S N -1.062 114.740 115.700 0.170 0.000 2.370 301 S HA -0.309 4.165 4.470 0.005 0.000 0.226 301 S C 2.041 176.764 174.600 0.206 0.000 1.033 301 S CA 1.687 59.980 58.200 0.155 0.000 1.011 301 S CB -0.888 62.415 63.200 0.172 0.000 0.852 301 S HN 0.650 nan 8.310 nan 0.000 0.457 302 Y N 1.871 122.214 120.300 0.070 0.000 2.314 302 Y HA 0.072 4.625 4.550 0.006 0.000 0.293 302 Y C 2.498 178.396 175.900 -0.004 0.000 1.129 302 Y CA 1.488 59.607 58.100 0.032 0.000 1.201 302 Y CB -0.775 37.705 38.460 0.033 0.000 0.999 302 Y HN 0.284 nan 8.280 nan 0.000 0.541 303 S N -0.478 115.108 115.700 -0.190 0.000 2.356 303 S HA -0.189 4.284 4.470 0.005 0.000 0.223 303 S C 2.137 176.562 174.600 -0.292 0.000 1.032 303 S CA 1.555 59.586 58.200 -0.281 0.000 1.005 303 S CB -0.740 62.348 63.200 -0.187 0.000 0.867 303 S HN 0.329 nan 8.310 nan 0.000 0.449 304 V N 2.235 121.979 119.914 -0.283 0.000 2.295 304 V HA -0.206 3.918 4.120 0.005 0.000 0.246 304 V C 2.437 178.475 176.094 -0.092 0.000 1.049 304 V CA 1.955 64.174 62.300 -0.136 0.000 1.024 304 V CB -0.590 31.171 31.823 -0.103 0.000 0.648 304 V HN 0.466 nan 8.190 nan 0.000 0.447 305 K N 0.388 120.704 120.400 -0.141 0.000 2.032 305 K HA -0.208 4.115 4.320 0.005 0.000 0.209 305 K C 2.164 178.621 176.600 -0.239 0.000 1.048 305 K CA 1.814 57.939 56.287 -0.269 0.000 0.927 305 K CB -0.352 31.913 32.500 -0.392 0.000 0.712 305 K HN 0.408 nan 8.250 nan 0.000 0.441 306 A N 0.992 123.591 122.820 -0.369 0.000 1.873 306 A HA -0.150 4.173 4.320 0.005 0.000 0.215 306 A C 2.191 179.687 177.584 -0.146 0.000 1.186 306 A CA 2.129 53.972 52.037 -0.323 0.000 0.616 306 A CB -0.786 17.836 19.000 -0.629 0.000 0.823 306 A HN 0.606 nan 8.150 nan 0.000 0.442 307 S N -0.010 115.622 115.700 -0.114 0.000 2.368 307 S HA -0.099 4.375 4.470 0.005 0.000 0.224 307 S C 1.795 176.406 174.600 0.019 0.000 1.029 307 S CA 1.353 59.553 58.200 -0.002 0.000 0.988 307 S CB -0.518 62.711 63.200 0.048 0.000 0.838 307 S HN 0.314 nan 8.310 nan 0.000 0.462 308 I N 1.913 122.489 120.570 0.009 0.000 2.315 308 I HA 0.003 4.176 4.170 0.005 0.000 0.248 308 I C 2.407 178.527 176.117 0.005 0.000 1.117 308 I CA 0.940 62.257 61.300 0.027 0.000 1.404 308 I CB -1.321 36.698 38.000 0.031 0.000 1.071 308 I HN 0.327 nan 8.210 nan 0.000 0.419 309 L N 0.477 121.686 121.223 -0.024 0.000 2.217 309 L HA -0.073 4.270 4.340 0.005 0.000 0.211 309 L C 2.663 179.535 176.870 0.003 0.000 1.107 309 L CA 0.831 55.659 54.840 -0.019 0.000 0.783 309 L CB -0.446 41.589 42.059 -0.041 0.000 0.919 309 L HN 0.152 nan 8.230 nan 0.000 0.442 310 A N -0.466 122.359 122.820 0.008 0.000 2.015 310 A HA 0.049 4.372 4.320 0.005 0.000 0.219 310 A C 1.791 179.399 177.584 0.040 0.000 1.163 310 A CA 1.486 53.543 52.037 0.032 0.000 0.646 310 A CB -0.382 18.642 19.000 0.040 0.000 0.806 310 A HN 0.524 nan 8.150 nan 0.000 0.448 311 G N -2.910 105.912 108.800 0.036 0.000 2.234 311 G HA2 -0.041 3.922 3.960 0.005 0.000 0.153 311 G HA3 -0.041 3.922 3.960 0.005 0.000 0.153 311 G C -0.141 174.790 174.900 0.052 0.000 1.013 311 G CA -0.119 45.006 45.100 0.041 0.000 0.712 311 G HN 0.270 nan 8.290 nan 0.000 0.491 312 L N 1.371 122.629 121.223 0.060 0.000 2.467 312 L HA 0.435 4.778 4.340 0.005 0.000 0.270 312 L C 1.202 178.127 176.870 0.090 0.000 1.205 312 L CA 0.700 55.588 54.840 0.080 0.000 0.828 312 L CB 0.640 42.752 42.059 0.089 0.000 1.101 312 L HN 0.103 nan 8.230 nan 0.000 0.479 313 D N 0.398 120.868 120.400 0.116 0.000 2.525 313 D HA 0.145 4.789 4.640 0.005 0.000 0.248 313 D C 0.255 176.579 176.300 0.040 0.000 1.000 313 D CA 0.611 54.665 54.000 0.090 0.000 0.923 313 D CB 0.482 41.364 40.800 0.137 0.000 1.101 313 D HN 0.376 nan 8.370 nan 0.000 0.493 314 M N 1.192 120.830 119.600 0.064 0.000 2.465 314 M HA 0.363 4.846 4.480 0.005 0.000 0.316 314 M C -1.838 174.469 176.300 0.011 0.000 1.121 314 M CA -0.612 54.682 55.300 -0.009 0.000 0.934 314 M CB 2.402 34.957 32.600 -0.075 0.000 1.692 314 M HN -0.319 nan 8.290 nan 0.000 0.444 315 I N 5.296 125.805 120.570 -0.103 0.000 2.362 315 I HA 0.288 4.461 4.170 0.005 0.000 0.289 315 I C -0.335 175.631 176.117 -0.253 0.000 0.994 315 I CA -0.382 60.788 61.300 -0.217 0.000 1.158 315 I CB 1.520 39.191 38.000 -0.548 0.000 1.315 315 I HN 0.906 nan 8.210 nan 0.000 0.451 316 M N 7.139 126.645 119.600 -0.156 0.000 2.775 316 M HA 0.123 4.606 4.480 0.005 0.000 0.313 316 M C 0.547 176.674 176.300 -0.289 0.000 1.429 316 M CA -0.095 55.097 55.300 -0.180 0.000 1.494 316 M CB 0.277 32.813 32.600 -0.107 0.000 1.274 316 M HN 0.500 nan 8.290 nan 0.000 0.491 317 V N 5.616 125.324 119.914 -0.342 0.000 2.220 317 V HA -0.186 3.937 4.120 0.005 0.000 0.250 317 V C -0.902 174.962 176.094 -0.382 0.000 1.056 317 V CA 2.129 64.237 62.300 -0.320 0.000 1.016 317 V CB -1.652 30.025 31.823 -0.242 0.000 0.639 317 V HN 0.739 nan 8.190 nan 0.000 0.446 318 P HA 0.160 nan 4.420 nan 0.000 0.291 318 P C 0.552 177.674 177.300 -0.296 0.000 1.341 318 P CA 0.430 63.231 63.100 -0.498 0.000 0.999 318 P CB 0.568 31.738 31.700 -0.883 0.000 1.501 319 N N 0.748 119.302 118.700 -0.244 0.000 2.591 319 N HA 0.071 4.815 4.740 0.005 0.000 0.200 319 N C 0.673 176.134 175.510 -0.083 0.000 1.040 319 N CA 0.450 53.436 53.050 -0.106 0.000 0.911 319 N CB 0.084 38.506 38.487 -0.108 0.000 1.259 319 N HN 0.124 nan 8.380 nan 0.000 0.438 320 K N 2.479 122.781 120.400 -0.162 0.000 2.480 320 K HA 0.053 4.376 4.320 0.005 0.000 0.241 320 K C 0.532 177.036 176.600 -0.160 0.000 1.261 320 K CA -0.244 55.901 56.287 -0.238 0.000 1.193 320 K CB -0.346 31.998 32.500 -0.259 0.000 1.598 320 K HN 0.372 nan 8.250 nan 0.000 0.278 321 Y N -0.756 119.537 120.300 -0.013 0.000 2.293 321 Y HA -0.210 4.344 4.550 0.006 0.000 0.291 321 Y C 2.173 178.145 175.900 0.120 0.000 1.137 321 Y CA 0.783 58.927 58.100 0.073 0.000 1.202 321 Y CB -0.435 38.039 38.460 0.023 0.000 0.990 321 Y HN 0.344 nan 8.280 nan 0.000 0.537 322 Q N 0.708 120.287 119.800 -0.369 0.000 2.084 322 Q HA -0.287 4.056 4.340 0.005 0.000 0.202 322 Q C 2.522 178.512 176.000 -0.015 0.000 0.978 322 Q CA 2.040 57.769 55.803 -0.124 0.000 0.844 322 Q CB -0.203 28.379 28.738 -0.260 0.000 0.898 322 Q HN 0.762 nan 8.270 nan 0.000 0.426 323 Q N -0.694 119.081 119.800 -0.042 0.000 2.079 323 Q HA -0.190 4.153 4.340 0.005 0.000 0.200 323 Q C 1.882 177.996 176.000 0.190 0.000 0.974 323 Q CA 1.424 57.244 55.803 0.028 0.000 0.840 323 Q CB -0.238 28.459 28.738 -0.068 0.000 0.898 323 Q HN 0.490 nan 8.270 nan 0.000 0.430 324 F N 1.214 121.267 119.950 0.172 0.000 2.046 324 F HA -0.232 4.298 4.527 0.005 0.000 0.297 324 F C 1.841 177.714 175.800 0.122 0.000 1.123 324 F CA 1.719 59.874 58.000 0.258 0.000 1.199 324 F CB -0.410 38.724 39.000 0.223 0.000 0.972 324 F HN 0.066 nan 8.300 nan 0.000 0.474 325 I N -0.606 119.956 120.570 -0.013 0.000 2.208 325 I HA -0.335 3.838 4.170 0.005 0.000 0.245 325 I C 2.741 178.772 176.117 -0.143 0.000 1.097 325 I CA 1.605 62.830 61.300 -0.125 0.000 1.363 325 I CB -0.891 37.172 38.000 0.105 0.000 1.051 325 I HN 0.271 nan 8.210 nan 0.000 0.413 326 S N 1.051 116.710 115.700 -0.067 0.000 2.356 326 S HA -0.129 4.344 4.470 0.005 0.000 0.223 326 S C 2.072 176.589 174.600 -0.138 0.000 1.032 326 S CA 1.258 59.414 58.200 -0.073 0.000 1.005 326 S CB -0.237 62.941 63.200 -0.037 0.000 0.867 326 S HN 0.305 nan 8.310 nan 0.000 0.449 327 I N 1.022 121.499 120.570 -0.156 0.000 2.226 327 I HA -0.147 4.027 4.170 0.005 0.000 0.245 327 I C 2.324 178.208 176.117 -0.389 0.000 1.100 327 I CA 0.860 62.004 61.300 -0.260 0.000 1.374 327 I CB -0.306 37.603 38.000 -0.152 0.000 1.057 327 I HN 0.336 nan 8.210 nan 0.000 0.413 328 L N 0.419 121.413 121.223 -0.382 0.000 2.046 328 L HA -0.175 4.168 4.340 0.005 0.000 0.208 328 L C 2.446 179.200 176.870 -0.193 0.000 1.077 328 L CA 2.096 56.743 54.840 -0.322 0.000 0.747 328 L CB -0.991 40.726 42.059 -0.571 0.000 0.896 328 L HN 0.152 nan 8.230 nan 0.000 0.432 329 T N -0.572 113.870 114.554 -0.187 0.000 2.746 329 T HA -0.105 4.249 4.350 0.005 0.000 0.267 329 T C 1.725 176.371 174.700 -0.091 0.000 1.039 329 T CA 1.217 63.252 62.100 -0.109 0.000 1.142 329 T CB -0.898 67.921 68.868 -0.083 0.000 0.866 329 T HN 0.580 nan 8.240 nan 0.000 0.444 330 G N 0.563 109.279 108.800 -0.140 0.000 2.440 330 G HA2 -0.254 3.709 3.960 0.005 0.000 0.218 330 G HA3 -0.254 3.709 3.960 0.005 0.000 0.218 330 G C 1.222 176.084 174.900 -0.063 0.000 1.154 330 G CA 0.863 45.888 45.100 -0.126 0.000 0.767 330 G HN 0.601 nan 8.290 nan 0.000 0.552 331 H N -0.742 118.295 119.070 -0.055 0.000 2.387 331 H HA -0.025 4.534 4.556 0.005 0.000 0.299 331 H C 2.749 178.052 175.328 -0.042 0.000 1.090 331 H CA 0.738 56.758 56.048 -0.047 0.000 1.332 331 H CB 0.228 29.953 29.762 -0.062 0.000 1.386 331 H HN 0.246 nan 8.280 nan 0.000 0.516 332 V N 1.105 121.063 119.914 0.073 0.000 2.270 332 V HA -0.243 3.880 4.120 0.005 0.000 0.245 332 V C 1.901 178.003 176.094 0.014 0.000 1.043 332 V CA 1.665 63.980 62.300 0.024 0.000 1.014 332 V CB -0.343 31.476 31.823 -0.007 0.000 0.645 332 V HN 0.519 nan 8.190 nan 0.000 0.447 333 N N 1.071 119.773 118.700 0.003 0.000 2.205 333 N HA -0.129 4.614 4.740 0.005 0.000 0.186 333 N C 1.730 177.246 175.510 0.010 0.000 1.015 333 N CA 1.655 54.705 53.050 -0.001 0.000 0.862 333 N CB -0.536 37.945 38.487 -0.010 0.000 0.986 333 N HN 0.554 nan 8.380 nan 0.000 0.429 334 G N -1.073 107.743 108.800 0.026 0.000 2.920 334 G HA2 0.244 4.207 3.960 0.005 0.000 0.208 334 G HA3 0.244 4.207 3.960 0.005 0.000 0.208 334 G C 1.031 175.949 174.900 0.030 0.000 1.159 334 G CA 0.551 45.671 45.100 0.033 0.000 0.784 334 G HN 0.463 nan 8.290 nan 0.000 0.535 335 G N -0.737 108.077 108.800 0.024 0.000 2.184 335 G HA2 -0.348 3.615 3.960 0.005 0.000 0.264 335 G HA3 -0.348 3.615 3.960 0.005 0.000 0.264 335 G C 1.225 176.129 174.900 0.007 0.000 0.975 335 G CA 0.591 45.698 45.100 0.013 0.000 0.642 335 G HN 0.523 nan 8.290 nan 0.000 0.536 336 V N 0.098 120.021 119.914 0.015 0.000 2.515 336 V HA 0.144 4.267 4.120 0.005 0.000 0.250 336 V C 1.473 177.534 176.094 -0.055 0.000 1.058 336 V CA 1.871 64.155 62.300 -0.027 0.000 1.064 336 V CB -0.151 31.637 31.823 -0.059 0.000 0.675 336 V HN 0.510 nan 8.190 nan 0.000 0.461 337 I N 2.152 122.706 120.570 -0.027 0.000 2.447 337 I HA 0.347 4.520 4.170 0.005 0.000 0.287 337 I C -2.407 173.703 176.117 -0.012 0.000 1.023 337 I CA -1.980 59.302 61.300 -0.030 0.000 1.083 337 I CB 2.421 40.405 38.000 -0.026 0.000 1.245 337 I HN 0.067 nan 8.210 nan 0.000 0.434 338 P HA 0.096 nan 4.420 nan 0.000 0.272 338 P C 0.461 177.755 177.300 -0.010 0.000 1.223 338 P CA -0.401 62.693 63.100 -0.010 0.000 0.784 338 P CB 1.041 32.736 31.700 -0.009 0.000 0.923 339 M N 1.676 121.269 119.600 -0.011 0.000 2.279 339 M HA -0.111 4.372 4.480 0.005 0.000 0.264 339 M C 2.012 178.303 176.300 -0.015 0.000 1.062 339 M CA 1.867 57.158 55.300 -0.015 0.000 1.099 339 M CB -1.575 31.015 32.600 -0.017 0.000 1.394 339 M HN 0.489 nan 8.290 nan 0.000 0.426 340 S N -0.275 115.418 115.700 -0.012 0.000 2.399 340 S HA -0.177 4.297 4.470 0.005 0.000 0.231 340 S C 1.978 176.573 174.600 -0.010 0.000 1.022 340 S CA 1.149 59.343 58.200 -0.012 0.000 0.983 340 S CB -0.444 62.750 63.200 -0.010 0.000 0.803 340 S HN 0.356 nan 8.310 nan 0.000 0.480 341 R N 1.566 122.061 120.500 -0.007 0.000 2.066 341 R HA 0.121 4.464 4.340 0.005 0.000 0.232 341 R C 2.110 178.409 176.300 -0.002 0.000 1.131 341 R CA 1.500 57.598 56.100 -0.003 0.000 0.955 341 R CB -0.848 29.450 30.300 -0.002 0.000 0.851 341 R HN 0.419 nan 8.270 nan 0.000 0.432 342 I N 1.246 121.812 120.570 -0.006 0.000 2.142 342 I HA -0.245 3.928 4.170 0.005 0.000 0.240 342 I C 1.451 177.559 176.117 -0.015 0.000 1.078 342 I CA 1.615 62.910 61.300 -0.009 0.000 1.343 342 I CB -1.252 36.738 38.000 -0.017 0.000 1.046 342 I HN 0.187 nan 8.210 nan 0.000 0.405 343 D N 0.630 121.019 120.400 -0.018 0.000 2.149 343 D HA -0.222 4.421 4.640 0.005 0.000 0.198 343 D C 1.869 178.158 176.300 -0.018 0.000 0.990 343 D CA 1.428 55.415 54.000 -0.022 0.000 0.839 343 D CB -0.308 40.478 40.800 -0.022 0.000 0.948 343 D HN 0.402 nan 8.370 nan 0.000 0.460 344 D N 0.037 120.429 120.400 -0.013 0.000 2.097 344 D HA -0.088 4.555 4.640 0.005 0.000 0.195 344 D C 1.943 178.239 176.300 -0.007 0.000 0.989 344 D CA 1.695 55.689 54.000 -0.011 0.000 0.827 344 D CB -0.089 40.708 40.800 -0.006 0.000 0.966 344 D HN 0.088 nan 8.370 nan 0.000 0.456 345 A N -0.056 122.763 122.820 -0.002 0.000 1.877 345 A HA -0.122 4.202 4.320 0.005 0.000 0.216 345 A C 2.524 180.090 177.584 -0.030 0.000 1.186 345 A CA 1.786 53.823 52.037 -0.001 0.000 0.620 345 A CB -0.947 18.057 19.000 0.008 0.000 0.822 345 A HN 0.225 nan 8.150 nan 0.000 0.443 346 V N -0.275 119.618 119.914 -0.036 0.000 2.515 346 V HA -0.201 3.922 4.120 0.005 0.000 0.250 346 V C 2.684 178.758 176.094 -0.032 0.000 1.058 346 V CA 2.333 64.602 62.300 -0.051 0.000 1.064 346 V CB -1.205 30.590 31.823 -0.047 0.000 0.675 346 V HN 0.609 nan 8.190 nan 0.000 0.461 347 T N -0.230 114.314 114.554 -0.016 0.000 2.708 347 T HA -0.192 4.161 4.350 0.005 0.000 0.266 347 T C 2.108 176.818 174.700 0.016 0.000 1.037 347 T CA 1.590 63.690 62.100 0.001 0.000 1.146 347 T CB -0.199 68.663 68.868 -0.010 0.000 0.865 347 T HN 0.435 nan 8.240 nan 0.000 0.435 348 R N 0.312 120.817 120.500 0.009 0.000 2.075 348 R HA 0.091 4.434 4.340 0.005 0.000 0.232 348 R C 2.437 178.809 176.300 0.119 0.000 1.126 348 R CA 1.126 57.251 56.100 0.042 0.000 0.963 348 R CB -0.411 29.917 30.300 0.046 0.000 0.858 348 R HN 0.393 nan 8.270 nan 0.000 0.435 349 I N 0.673 121.238 120.570 -0.008 0.000 2.252 349 I HA -0.267 3.906 4.170 0.005 0.000 0.245 349 I C 2.082 178.181 176.117 -0.030 0.000 1.102 349 I CA 1.253 62.443 61.300 -0.183 0.000 1.385 349 I CB -0.201 37.548 38.000 -0.418 0.000 1.064 349 I HN 0.155 nan 8.210 nan 0.000 0.414 350 L N 0.191 121.418 121.223 0.006 0.000 2.109 350 L HA -0.146 4.197 4.340 0.005 0.000 0.207 350 L C 2.754 179.739 176.870 0.191 0.000 1.086 350 L CA 0.952 55.828 54.840 0.061 0.000 0.760 350 L CB -0.541 41.581 42.059 0.105 0.000 0.910 350 L HN 0.221 nan 8.230 nan 0.000 0.437 351 R N 0.183 120.788 120.500 0.175 0.000 2.091 351 R HA -0.162 4.182 4.340 0.005 0.000 0.238 351 R C 2.180 178.584 176.300 0.172 0.000 1.136 351 R CA 1.676 57.883 56.100 0.177 0.000 0.959 351 R CB -0.209 30.140 30.300 0.082 0.000 0.856 351 R HN 0.135 nan 8.270 nan 0.000 0.437 352 V N 1.350 121.360 119.914 0.159 0.000 2.358 352 V HA -0.227 3.896 4.120 0.005 0.000 0.246 352 V C 2.234 178.395 176.094 0.111 0.000 1.047 352 V CA 1.967 64.347 62.300 0.134 0.000 1.035 352 V CB -0.397 31.552 31.823 0.211 0.000 0.658 352 V HN 0.382 nan 8.190 nan 0.000 0.452 353 K N -0.719 119.745 120.400 0.105 0.000 2.057 353 K HA -0.117 4.206 4.320 0.005 0.000 0.206 353 K C 2.112 178.803 176.600 0.153 0.000 1.050 353 K CA 1.649 57.973 56.287 0.062 0.000 0.935 353 K CB -0.326 32.165 32.500 -0.014 0.000 0.715 353 K HN 0.393 nan 8.250 nan 0.000 0.439 354 F N 1.134 121.204 119.950 0.199 0.000 2.146 354 F HA -0.194 4.336 4.527 0.005 0.000 0.298 354 F C 2.586 178.421 175.800 0.059 0.000 1.096 354 F CA 1.076 59.134 58.000 0.097 0.000 1.275 354 F CB -0.280 38.676 39.000 -0.073 0.000 1.008 354 F HN 0.020 nan 8.300 nan 0.000 0.480 355 T N 0.817 115.507 114.554 0.228 0.000 2.788 355 T HA -0.219 4.134 4.350 0.005 0.000 0.268 355 T C 1.765 176.479 174.700 0.023 0.000 1.044 355 T CA 1.649 63.814 62.100 0.109 0.000 1.139 355 T CB -0.380 68.538 68.868 0.085 0.000 0.867 355 T HN 0.363 nan 8.240 nan 0.000 0.454 356 M N 0.256 119.866 119.600 0.018 0.000 2.618 356 M HA 0.426 4.910 4.480 0.005 0.000 0.240 356 M C 1.439 177.741 176.300 0.004 0.000 1.123 356 M CA 0.688 55.962 55.300 -0.042 0.000 1.060 356 M CB -0.206 32.365 32.600 -0.049 0.000 1.535 356 M HN 0.209 nan 8.290 nan 0.000 0.507 357 G N 1.644 110.491 108.800 0.078 0.000 2.147 357 G HA2 -0.239 3.724 3.960 0.005 0.000 0.244 357 G HA3 -0.239 3.724 3.960 0.005 0.000 0.244 357 G C 0.520 175.485 174.900 0.109 0.000 1.005 357 G CA 0.395 45.559 45.100 0.107 0.000 0.713 357 G HN 0.541 nan 8.290 nan 0.000 0.515 358 L N -1.290 119.992 121.223 0.099 0.000 2.042 358 L HA -0.034 4.309 4.340 0.005 0.000 0.210 358 L C 2.721 179.570 176.870 -0.034 0.000 1.076 358 L CA 1.991 56.824 54.840 -0.012 0.000 0.749 358 L CB -0.351 41.642 42.059 -0.109 0.000 0.893 358 L HN 0.350 nan 8.230 nan 0.000 0.432 359 F N 0.107 120.029 119.950 -0.046 0.000 2.269 359 F HA -0.197 4.333 4.527 0.004 0.000 0.301 359 F C 2.356 178.182 175.800 0.044 0.000 1.082 359 F CA 1.017 59.017 58.000 0.001 0.000 1.360 359 F CB -0.211 38.842 39.000 0.088 0.000 1.041 359 F HN 0.081 nan 8.300 nan 0.000 0.512 360 E N -0.856 119.482 120.200 0.229 0.000 2.250 360 E HA 0.036 4.389 4.350 0.005 0.000 0.192 360 E C 0.113 176.773 176.600 0.100 0.000 0.986 360 E CA 0.552 57.044 56.400 0.154 0.000 0.849 360 E CB 0.016 29.799 29.700 0.138 0.000 0.797 360 E HN 0.140 nan 8.360 nan 0.000 0.482 361 N N 0.703 119.441 118.700 0.064 0.000 2.791 361 N HA 0.114 4.858 4.740 0.005 0.000 0.265 361 N C -2.265 173.226 175.510 -0.032 0.000 1.580 361 N CA -0.718 52.357 53.050 0.043 0.000 0.809 361 N CB 1.640 40.155 38.487 0.046 0.000 1.178 361 N HN 0.063 nan 8.380 nan 0.000 0.499 362 P HA -0.029 nan 4.420 nan 0.000 0.227 362 P C -0.214 176.808 177.300 -0.463 0.000 1.161 362 P CA 0.783 63.664 63.100 -0.365 0.000 0.788 362 P CB 0.424 31.789 31.700 -0.558 0.000 0.822 363 Y N 0.176 120.479 120.300 0.005 0.000 2.488 363 Y HA 0.559 5.112 4.550 0.004 0.000 0.325 363 Y C 1.199 177.106 175.900 0.011 0.000 1.204 363 Y CA -1.405 56.701 58.100 0.009 0.000 1.229 363 Y CB 0.504 38.969 38.460 0.007 0.000 1.274 363 Y HN -0.123 nan 8.280 nan 0.000 0.493 364 A N 0.657 123.592 122.820 0.192 0.000 2.366 364 A HA 0.164 4.487 4.320 0.005 0.000 0.249 364 A C -0.521 177.116 177.584 0.089 0.000 1.084 364 A CA -0.274 51.826 52.037 0.104 0.000 0.794 364 A CB 0.011 19.061 19.000 0.084 0.000 1.034 364 A HN 0.697 nan 8.150 nan 0.000 0.491 365 D N 1.400 121.835 120.400 0.058 0.000 2.412 365 D HA 0.292 4.935 4.640 0.005 0.000 0.224 365 D C -1.533 174.788 176.300 0.035 0.000 1.093 365 D CA -1.850 52.177 54.000 0.045 0.000 0.850 365 D CB 1.318 42.140 40.800 0.037 0.000 1.046 365 D HN 0.200 nan 8.370 nan 0.000 0.507 366 P HA -0.147 nan 4.420 nan 0.000 0.219 366 P C 0.996 178.308 177.300 0.019 0.000 1.146 366 P CA 0.665 63.778 63.100 0.023 0.000 0.808 366 P CB 0.317 32.026 31.700 0.014 0.000 0.779 367 A N -0.367 122.464 122.820 0.018 0.000 2.066 367 A HA -0.052 4.271 4.320 0.005 0.000 0.218 367 A C 2.169 179.761 177.584 0.013 0.000 1.157 367 A CA 1.126 53.171 52.037 0.014 0.000 0.670 367 A CB -1.090 17.919 19.000 0.013 0.000 0.804 367 A HN 0.040 nan 8.150 nan 0.000 0.453 368 M N -0.531 119.080 119.600 0.017 0.000 2.557 368 M HA -0.000 4.483 4.480 0.005 0.000 0.259 368 M C 2.319 178.627 176.300 0.013 0.000 1.086 368 M CA 1.001 56.311 55.300 0.016 0.000 1.096 368 M CB -1.224 31.387 32.600 0.019 0.000 1.424 368 M HN 0.505 nan 8.290 nan 0.000 0.488 369 A N 0.497 123.327 122.820 0.016 0.000 1.948 369 A HA -0.166 4.157 4.320 0.005 0.000 0.220 369 A C 1.982 179.571 177.584 0.007 0.000 1.177 369 A CA 1.429 53.476 52.037 0.018 0.000 0.636 369 A CB -0.503 18.513 19.000 0.026 0.000 0.815 369 A HN 0.425 nan 8.150 nan 0.000 0.449 370 E N -0.158 120.042 120.200 -0.000 0.000 2.409 370 E HA -0.138 4.215 4.350 0.005 0.000 0.198 370 E C 1.730 178.309 176.600 -0.034 0.000 1.024 370 E CA 0.556 56.947 56.400 -0.015 0.000 0.861 370 E CB -0.140 29.549 29.700 -0.018 0.000 0.788 370 E HN 0.638 nan 8.360 nan 0.000 0.521 371 Q N -0.067 119.722 119.800 -0.019 0.000 2.297 371 Q HA -0.035 4.308 4.340 0.005 0.000 0.204 371 Q C 0.928 176.924 176.000 -0.008 0.000 0.962 371 Q CA 0.073 55.865 55.803 -0.019 0.000 0.879 371 Q CB -0.327 28.438 28.738 0.044 0.000 0.947 371 Q HN 0.185 nan 8.270 nan 0.000 0.462 372 L N 1.340 122.558 121.223 -0.008 0.000 2.562 372 L HA 0.158 4.501 4.340 0.005 0.000 0.271 372 L C 0.860 177.709 176.870 -0.036 0.000 1.167 372 L CA 1.281 56.114 54.840 -0.012 0.000 0.917 372 L CB 0.050 42.096 42.059 -0.021 0.000 1.187 372 L HN 0.479 nan 8.230 nan 0.000 0.482 373 G N 3.349 112.134 108.800 -0.025 0.000 2.249 373 G HA2 -0.334 3.630 3.960 0.005 0.000 0.273 373 G HA3 -0.334 3.630 3.960 0.005 0.000 0.273 373 G C 0.346 175.184 174.900 -0.103 0.000 1.036 373 G CA 0.646 45.704 45.100 -0.070 0.000 0.824 373 G HN 0.887 nan 8.290 nan 0.000 0.504 374 K N -0.911 119.388 120.400 -0.169 0.000 2.355 374 K HA 0.447 4.770 4.320 0.005 0.000 0.270 374 K C 1.219 177.701 176.600 -0.197 0.000 1.003 374 K CA -0.044 56.106 56.287 -0.228 0.000 0.957 374 K CB 0.916 33.206 32.500 -0.349 0.000 0.939 374 K HN 0.033 nan 8.250 nan 0.000 0.482 375 Q N 1.604 121.322 119.800 -0.135 0.000 2.112 375 Q HA -0.237 4.107 4.340 0.005 0.000 0.206 375 Q C 1.165 177.126 176.000 -0.064 0.000 0.987 375 Q CA 2.214 57.964 55.803 -0.088 0.000 0.858 375 Q CB -0.199 28.501 28.738 -0.064 0.000 0.905 375 Q HN 0.812 nan 8.270 nan 0.000 0.420 376 E N -1.075 119.074 120.200 -0.085 0.000 2.118 376 E HA -0.197 4.156 4.350 0.005 0.000 0.195 376 E C 1.917 178.592 176.600 0.125 0.000 0.992 376 E CA 1.563 57.961 56.400 -0.003 0.000 0.804 376 E CB -0.244 29.448 29.700 -0.015 0.000 0.741 376 E HN 0.519 nan 8.360 nan 0.000 0.458 377 H N -0.031 119.040 119.070 0.002 0.000 2.357 377 H HA 0.079 4.638 4.556 0.005 0.000 0.301 377 H C 1.982 177.269 175.328 -0.069 0.000 1.082 377 H CA 1.180 57.249 56.048 0.035 0.000 1.342 377 H CB -0.135 29.650 29.762 0.039 0.000 1.389 377 H HN 0.082 nan 8.280 nan 0.000 0.511 378 R N 0.383 120.880 120.500 -0.004 0.000 2.096 378 R HA -0.098 4.245 4.340 0.005 0.000 0.235 378 R C 1.590 177.851 176.300 -0.065 0.000 1.127 378 R CA 1.305 57.339 56.100 -0.110 0.000 0.968 378 R CB 0.030 30.265 30.300 -0.109 0.000 0.861 378 R HN 0.336 nan 8.270 nan 0.000 0.440 379 D N 0.837 121.229 120.400 -0.013 0.000 2.144 379 D HA -0.149 4.494 4.640 0.005 0.000 0.199 379 D C 1.836 178.144 176.300 0.013 0.000 0.984 379 D CA 0.812 54.810 54.000 -0.004 0.000 0.834 379 D CB -0.122 40.685 40.800 0.013 0.000 0.955 379 D HN 0.077 nan 8.370 nan 0.000 0.465 380 L N 0.967 122.231 121.223 0.068 0.000 2.056 380 L HA -0.024 4.319 4.340 0.005 0.000 0.207 380 L C 2.118 179.075 176.870 0.145 0.000 1.078 380 L CA 1.668 56.579 54.840 0.118 0.000 0.749 380 L CB -0.742 41.441 42.059 0.206 0.000 0.901 380 L HN -0.042 nan 8.230 nan 0.000 0.433 381 A N -0.259 122.612 122.820 0.084 0.000 1.902 381 A HA -0.246 4.078 4.320 0.005 0.000 0.217 381 A C 2.538 180.109 177.584 -0.021 0.000 1.181 381 A CA 1.750 53.776 52.037 -0.017 0.000 0.623 381 A CB -0.674 18.048 19.000 -0.464 0.000 0.818 381 A HN 0.530 nan 8.150 nan 0.000 0.443 382 R N -0.173 120.294 120.500 -0.055 0.000 2.083 382 R HA -0.201 4.142 4.340 0.005 0.000 0.237 382 R C 2.211 178.462 176.300 -0.082 0.000 1.137 382 R CA 1.914 57.976 56.100 -0.063 0.000 0.951 382 R CB -0.338 29.923 30.300 -0.065 0.000 0.851 382 R HN 0.705 nan 8.270 nan 0.000 0.434 383 E N -0.373 119.778 120.200 -0.081 0.000 2.110 383 E HA -0.198 4.155 4.350 0.005 0.000 0.193 383 E C 1.716 178.273 176.600 -0.072 0.000 0.988 383 E CA 1.178 57.501 56.400 -0.129 0.000 0.804 383 E CB -0.083 29.563 29.700 -0.090 0.000 0.745 383 E HN 0.508 nan 8.360 nan 0.000 0.458 384 A N 1.178 124.001 122.820 0.005 0.000 1.898 384 A HA -0.032 4.291 4.320 0.005 0.000 0.216 384 A C 2.397 180.011 177.584 0.051 0.000 1.181 384 A CA 1.604 53.669 52.037 0.046 0.000 0.620 384 A CB -0.722 18.353 19.000 0.124 0.000 0.819 384 A HN 0.402 nan 8.150 nan 0.000 0.442 385 A N -0.226 122.620 122.820 0.043 0.000 1.883 385 A HA -0.199 4.124 4.320 0.005 0.000 0.217 385 A C 2.306 179.914 177.584 0.039 0.000 1.186 385 A CA 1.770 53.842 52.037 0.059 0.000 0.624 385 A CB -0.575 18.444 19.000 0.033 0.000 0.822 385 A HN 0.464 nan 8.150 nan 0.000 0.444 386 R N 0.301 120.778 120.500 -0.039 0.000 2.091 386 R HA -0.131 4.213 4.340 0.005 0.000 0.238 386 R C 1.687 177.951 176.300 -0.061 0.000 1.136 386 R CA 1.978 58.020 56.100 -0.098 0.000 0.959 386 R CB -0.345 29.816 30.300 -0.231 0.000 0.856 386 R HN 0.554 nan 8.270 nan 0.000 0.437 387 K N 0.275 120.652 120.400 -0.038 0.000 2.439 387 K HA -0.024 4.299 4.320 0.005 0.000 0.197 387 K C 1.783 178.437 176.600 0.090 0.000 1.041 387 K CA 1.178 57.472 56.287 0.011 0.000 0.970 387 K CB 0.129 32.629 32.500 0.001 0.000 0.773 387 K HN 0.263 nan 8.250 nan 0.000 0.479 388 S N 0.272 116.051 115.700 0.132 0.000 2.524 388 S HA 0.098 4.571 4.470 0.005 0.000 0.216 388 S C 0.689 175.520 174.600 0.384 0.000 0.987 388 S CA -0.380 57.959 58.200 0.231 0.000 0.909 388 S CB -0.195 63.149 63.200 0.240 0.000 0.781 388 S HN 0.067 nan 8.310 nan 0.000 0.521 389 L N 2.549 123.943 121.223 0.285 0.000 2.410 389 L HA 0.371 4.715 4.340 0.005 0.000 0.273 389 L C -0.628 176.445 176.870 0.338 0.000 1.152 389 L CA -0.564 54.458 54.840 0.304 0.000 0.855 389 L CB 0.891 43.124 42.059 0.291 0.000 1.129 389 L HN 0.046 nan 8.230 nan 0.000 0.463 390 V N 4.822 124.879 119.914 0.238 0.000 2.378 390 V HA 0.221 4.345 4.120 0.005 0.000 0.288 390 V C -0.068 175.972 176.094 -0.090 0.000 1.016 390 V CA -0.575 61.809 62.300 0.141 0.000 0.840 390 V CB 1.791 33.754 31.823 0.234 0.000 0.994 390 V HN 0.422 nan 8.190 nan 0.000 0.431 391 L N 6.067 127.151 121.223 -0.231 0.000 2.315 391 L HA 0.370 4.714 4.340 0.005 0.000 0.283 391 L C 0.641 177.294 176.870 -0.363 0.000 1.089 391 L CA 0.675 55.219 54.840 -0.494 0.000 0.833 391 L CB 0.578 42.141 42.059 -0.826 0.000 1.170 391 L HN 0.607 nan 8.230 nan 0.000 0.442 392 L N 3.830 124.835 121.223 -0.364 0.000 2.408 392 L HA 0.280 4.623 4.340 0.005 0.000 0.215 392 L C 0.595 177.345 176.870 -0.200 0.000 1.081 392 L CA 0.135 54.752 54.840 -0.372 0.000 0.840 392 L CB -0.098 41.534 42.059 -0.711 0.000 1.002 392 L HN 0.600 nan 8.230 nan 0.000 0.468 393 K N 0.284 120.561 120.400 -0.205 0.000 2.561 393 K HA 0.244 4.568 4.320 0.005 0.000 0.254 393 K C -1.516 174.990 176.600 -0.157 0.000 0.942 393 K CA -0.485 55.732 56.287 -0.117 0.000 0.818 393 K CB 1.708 34.158 32.500 -0.083 0.000 1.306 393 K HN -0.240 nan 8.250 nan 0.000 0.435 394 N N 2.261 120.888 118.700 -0.121 0.000 2.750 394 N HA 0.390 5.134 4.740 0.005 0.000 0.253 394 N C -1.620 173.842 175.510 -0.079 0.000 1.408 394 N CA 0.531 53.505 53.050 -0.127 0.000 0.780 394 N CB 1.550 39.945 38.487 -0.154 0.000 1.191 394 N HN 0.914 nan 8.380 nan 0.000 0.511 395 G N 1.605 110.365 108.800 -0.067 0.000 2.931 395 G HA2 -0.104 3.860 3.960 0.005 0.000 0.675 395 G HA3 -0.104 3.860 3.960 0.005 0.000 0.675 395 G C 0.310 175.189 174.900 -0.035 0.000 1.339 395 G CA -0.700 44.373 45.100 -0.044 0.000 0.866 395 G HN 0.318 nan 8.290 nan 0.000 0.616 396 K N -0.537 119.846 120.400 -0.028 0.000 2.057 396 K HA 0.009 4.332 4.320 0.005 0.000 0.207 396 K C 1.763 178.351 176.600 -0.019 0.000 1.049 396 K CA 1.913 58.186 56.287 -0.024 0.000 0.931 396 K CB -0.069 32.419 32.500 -0.020 0.000 0.714 396 K HN 0.912 nan 8.250 nan 0.000 0.440 397 T N -3.207 111.338 114.554 -0.016 0.000 2.916 397 T HA 0.162 4.516 4.350 0.005 0.000 0.292 397 T C 0.887 175.581 174.700 -0.010 0.000 1.064 397 T CA -0.555 61.537 62.100 -0.012 0.000 1.011 397 T CB 1.836 70.698 68.868 -0.010 0.000 1.152 397 T HN 0.040 nan 8.240 nan 0.000 0.510 398 S N -0.062 115.634 115.700 -0.007 0.000 2.537 398 S HA -0.079 4.395 4.470 0.005 0.000 0.240 398 S C 1.636 176.233 174.600 -0.005 0.000 0.981 398 S CA 1.081 59.278 58.200 -0.004 0.000 0.948 398 S CB -1.162 62.038 63.200 -0.000 0.000 0.759 398 S HN 1.066 nan 8.310 nan 0.000 0.531 399 T N -2.521 112.030 114.554 -0.005 0.000 3.069 399 T HA 0.248 4.601 4.350 0.005 0.000 0.252 399 T C -0.124 174.573 174.700 -0.005 0.000 1.053 399 T CA -0.429 61.669 62.100 -0.004 0.000 0.964 399 T CB -0.261 68.605 68.868 -0.003 0.000 1.005 399 T HN 0.122 nan 8.240 nan 0.000 0.532 400 D N 2.288 122.684 120.400 -0.008 0.000 2.357 400 D HA 0.576 5.220 4.640 0.005 0.000 0.242 400 D C 0.251 176.545 176.300 -0.010 0.000 1.153 400 D CA 0.020 54.015 54.000 -0.009 0.000 0.918 400 D CB 0.897 41.689 40.800 -0.012 0.000 1.181 400 D HN 0.493 nan 8.370 nan 0.000 0.435 401 A N 1.952 124.767 122.820 -0.009 0.000 2.371 401 A HA 0.457 4.780 4.320 0.005 0.000 0.257 401 A C -2.155 175.417 177.584 -0.020 0.000 1.089 401 A CA -1.026 51.005 52.037 -0.010 0.000 0.794 401 A CB -0.152 18.846 19.000 -0.004 0.000 1.029 401 A HN 0.377 nan 8.150 nan 0.000 0.488 402 P HA 0.161 nan 4.420 nan 0.000 0.271 402 P C 0.589 177.860 177.300 -0.049 0.000 1.220 402 P CA -0.380 62.697 63.100 -0.038 0.000 0.768 402 P CB 0.701 32.382 31.700 -0.032 0.000 0.848 403 L N 4.365 125.546 121.223 -0.070 0.000 2.131 403 L HA 0.095 4.438 4.340 0.005 0.000 0.206 403 L C 0.370 177.165 176.870 -0.126 0.000 1.087 403 L CA 1.546 56.329 54.840 -0.095 0.000 0.767 403 L CB -0.292 41.704 42.059 -0.104 0.000 0.917 403 L HN 0.243 nan 8.230 nan 0.000 0.441 404 L N 1.567 122.726 121.223 -0.106 0.000 2.322 404 L HA 0.421 4.765 4.340 0.005 0.000 0.279 404 L C -2.093 174.769 176.870 -0.014 0.000 1.036 404 L CA -2.059 52.737 54.840 -0.074 0.000 0.807 404 L CB 0.938 42.969 42.059 -0.045 0.000 1.226 404 L HN 0.003 nan 8.230 nan 0.000 0.433 405 P HA 0.227 nan 4.420 nan 0.000 0.274 405 P C -0.900 176.351 177.300 -0.080 0.000 1.231 405 P CA -0.391 62.702 63.100 -0.011 0.000 0.790 405 P CB 1.153 32.875 31.700 0.036 0.000 0.951 406 L N 3.428 124.541 121.223 -0.183 0.000 2.399 406 L HA 0.405 4.749 4.340 0.005 0.000 0.266 406 L C -1.803 175.109 176.870 0.071 0.000 1.114 406 L CA -2.183 52.507 54.840 -0.250 0.000 0.804 406 L CB 0.858 42.527 42.059 -0.650 0.000 1.146 406 L HN 0.269 nan 8.230 nan 0.000 0.451 407 P HA 0.149 nan 4.420 nan 0.000 0.279 407 P C -0.732 176.789 177.300 0.368 0.000 1.239 407 P CA -0.494 62.744 63.100 0.230 0.000 0.789 407 P CB 1.139 32.950 31.700 0.186 0.000 0.933 408 K N 1.275 121.809 120.400 0.224 0.000 2.366 408 K HA -0.017 4.306 4.320 0.005 0.000 0.198 408 K C 0.994 177.625 176.600 0.053 0.000 1.044 408 K CA 0.854 57.162 56.287 0.036 0.000 0.973 408 K CB 0.152 32.593 32.500 -0.099 0.000 0.767 408 K HN 0.366 nan 8.250 nan 0.000 0.475 409 K N 1.014 121.476 120.400 0.103 0.000 2.394 409 K HA 0.450 4.774 4.320 0.005 0.000 0.260 409 K C -1.625 175.043 176.600 0.114 0.000 0.967 409 K CA -0.407 55.927 56.287 0.078 0.000 0.855 409 K CB 1.469 33.998 32.500 0.048 0.000 1.101 409 K HN -0.003 nan 8.250 nan 0.000 0.433 410 A N 4.877 127.752 122.820 0.092 0.000 2.594 410 A HA 0.483 4.807 4.320 0.005 0.000 0.295 410 A C -2.573 175.025 177.584 0.023 0.000 1.071 410 A CA -1.341 50.742 52.037 0.077 0.000 0.685 410 A CB 1.371 20.430 19.000 0.098 0.000 1.285 410 A HN 0.550 nan 8.150 nan 0.000 0.405 411 P HA -0.084 nan 4.420 nan 0.000 0.214 411 P C 0.100 177.388 177.300 -0.019 0.000 1.163 411 P CA 1.478 64.571 63.100 -0.011 0.000 0.883 411 P CB 0.276 31.962 31.700 -0.024 0.000 0.788 412 K N -0.486 119.897 120.400 -0.028 0.000 2.543 412 K HA 0.445 4.768 4.320 0.005 0.000 0.255 412 K C -1.380 175.249 176.600 0.049 0.000 0.934 412 K CA -0.815 55.479 56.287 0.011 0.000 0.810 412 K CB 1.389 33.864 32.500 -0.042 0.000 1.315 412 K HN -0.034 nan 8.250 nan 0.000 0.433 413 I N 0.490 121.108 120.570 0.080 0.000 3.042 413 I HA 0.627 4.800 4.170 0.005 0.000 0.310 413 I C -1.789 174.323 176.117 -0.008 0.000 1.117 413 I CA -1.318 59.935 61.300 -0.078 0.000 1.003 413 I CB 2.012 39.782 38.000 -0.382 0.000 1.228 413 I HN 0.516 nan 8.210 nan 0.000 0.443 414 L N 4.163 125.220 121.223 -0.277 0.000 2.341 414 L HA 0.706 5.050 4.340 0.005 0.000 0.278 414 L C -1.267 175.543 176.870 -0.100 0.000 1.005 414 L CA -0.458 54.135 54.840 -0.411 0.000 0.818 414 L CB 1.844 43.279 42.059 -1.040 0.000 1.259 414 L HN 0.527 nan 8.230 nan 0.000 0.418 415 V N 5.103 125.043 119.914 0.044 0.000 2.409 415 V HA 0.940 5.064 4.120 0.005 0.000 0.291 415 V C 0.069 176.296 176.094 0.221 0.000 1.020 415 V CA 0.023 62.428 62.300 0.174 0.000 0.848 415 V CB 0.896 32.873 31.823 0.256 0.000 0.990 415 V HN 1.022 nan 8.190 nan 0.000 0.430 416 A N 3.472 126.381 122.820 0.148 0.000 2.532 416 A HA 1.073 5.397 4.320 0.005 0.000 0.290 416 A C -0.011 177.662 177.584 0.148 0.000 1.143 416 A CA -0.286 51.800 52.037 0.082 0.000 0.728 416 A CB 1.960 20.942 19.000 -0.031 0.000 1.317 416 A HN 2.160 nan 8.150 nan 0.000 0.414 417 G N -0.964 107.906 108.800 0.117 0.000 2.576 417 G HA2 0.348 4.311 3.960 0.005 0.000 0.686 417 G HA3 0.348 4.311 3.960 0.005 0.000 0.686 417 G C 0.524 175.576 174.900 0.253 0.000 1.242 417 G CA 0.463 45.662 45.100 0.165 0.000 0.819 417 G HN 2.082 nan 8.290 nan 0.000 0.655 418 S N -0.488 115.387 115.700 0.291 0.000 2.419 418 S HA -0.105 4.368 4.470 0.005 0.000 0.233 418 S C 1.427 176.248 174.600 0.368 0.000 1.016 418 S CA 2.094 60.502 58.200 0.347 0.000 0.974 418 S CB -0.154 63.321 63.200 0.458 0.000 0.786 418 S HN 0.837 nan 8.310 nan 0.000 0.492 419 H N 0.477 119.689 119.070 0.237 0.000 2.549 419 H HA 0.630 5.189 4.556 0.005 0.000 0.279 419 H C 1.845 177.254 175.328 0.134 0.000 1.018 419 H CA 0.026 56.211 56.048 0.227 0.000 1.175 419 H CB -0.070 29.823 29.762 0.218 0.000 1.485 419 H HN 0.516 nan 8.280 nan 0.000 0.543 420 A N -0.110 122.855 122.820 0.242 0.000 2.067 420 A HA -0.040 4.284 4.320 0.005 0.000 0.217 420 A C 0.600 178.175 177.584 -0.015 0.000 1.156 420 A CA 1.404 53.531 52.037 0.151 0.000 0.683 420 A CB 0.282 19.438 19.000 0.259 0.000 0.808 420 A HN 0.261 nan 8.150 nan 0.000 0.455 421 D N -0.698 119.665 120.400 -0.063 0.000 2.945 421 D HA 0.159 4.802 4.640 0.005 0.000 0.340 421 D C -1.157 175.050 176.300 -0.154 0.000 1.240 421 D CA -0.270 53.611 54.000 -0.198 0.000 0.749 421 D CB -0.156 40.356 40.800 -0.479 0.000 1.217 421 D HN 0.122 nan 8.370 nan 0.000 0.514 422 N N 2.108 120.727 118.700 -0.135 0.000 2.607 422 N HA 0.060 4.803 4.740 0.005 0.000 0.271 422 N C 0.494 175.922 175.510 -0.137 0.000 1.142 422 N CA -0.399 52.514 53.050 -0.229 0.000 0.810 422 N CB 1.126 39.317 38.487 -0.493 0.000 1.306 422 N HN 0.149 nan 8.380 nan 0.000 0.536 423 L N 3.773 124.934 121.223 -0.103 0.000 2.042 423 L HA 0.057 4.400 4.340 0.005 0.000 0.210 423 L C 2.086 178.946 176.870 -0.016 0.000 1.076 423 L CA 2.437 57.246 54.840 -0.051 0.000 0.749 423 L CB -0.594 41.432 42.059 -0.054 0.000 0.893 423 L HN 0.662 nan 8.230 nan 0.000 0.432 424 G N -1.709 107.069 108.800 -0.037 0.000 2.446 424 G HA2 -0.305 3.658 3.960 0.005 0.000 0.217 424 G HA3 -0.305 3.658 3.960 0.005 0.000 0.217 424 G C 1.589 176.582 174.900 0.155 0.000 1.168 424 G CA 1.059 46.181 45.100 0.036 0.000 0.771 424 G HN 0.536 nan 8.290 nan 0.000 0.551 425 Y N 0.208 120.452 120.300 -0.092 0.000 2.224 425 Y HA -0.164 4.389 4.550 0.005 0.000 0.289 425 Y C 3.121 179.025 175.900 0.006 0.000 1.146 425 Y CA 1.047 59.084 58.100 -0.105 0.000 1.182 425 Y CB 0.001 38.248 38.460 -0.355 0.000 0.983 425 Y HN 0.270 nan 8.280 nan 0.000 0.524 426 Q N -0.384 119.527 119.800 0.184 0.000 2.226 426 Q HA -0.189 4.154 4.340 0.005 0.000 0.204 426 Q C 1.922 177.989 176.000 0.112 0.000 0.975 426 Q CA 1.474 57.363 55.803 0.142 0.000 0.866 426 Q CB -0.097 28.693 28.738 0.085 0.000 0.915 426 Q HN 0.489 nan 8.270 nan 0.000 0.440 427 C N -0.502 118.859 119.300 0.102 0.000 2.590 427 C HA 0.379 4.842 4.460 0.005 0.000 0.272 427 C C 1.320 176.407 174.990 0.162 0.000 1.338 427 C CA 0.191 59.283 59.018 0.122 0.000 1.746 427 C CB -0.823 26.974 27.740 0.096 0.000 2.020 427 C HN 0.829 nan 8.230 nan 0.000 0.531 428 G N 0.428 109.265 108.800 0.061 0.000 2.645 428 G HA2 0.106 4.069 3.960 0.005 0.000 0.246 428 G HA3 0.106 4.069 3.960 0.005 0.000 0.246 428 G C 0.196 175.045 174.900 -0.086 0.000 1.322 428 G CA -0.416 44.614 45.100 -0.117 0.000 0.898 428 G HN 0.866 nan 8.290 nan 0.000 0.573 429 G N -2.708 105.890 108.800 -0.337 0.000 2.716 429 G HA2 0.429 4.392 3.960 0.005 0.000 0.251 429 G HA3 0.429 4.392 3.960 0.005 0.000 0.251 429 G C 0.504 175.513 174.900 0.182 0.000 1.224 429 G CA 0.729 45.704 45.100 -0.208 0.000 0.891 429 G HN 1.807 nan 8.290 nan 0.000 0.561 430 W N -1.601 119.757 121.300 0.096 0.000 5.963 430 W HA -0.174 4.489 4.660 0.006 0.000 0.400 430 W C 0.244 176.974 176.519 0.350 0.000 1.530 430 W CA 0.604 58.093 57.345 0.240 0.000 1.004 430 W CB -1.808 27.810 29.460 0.263 0.000 2.706 430 W HN 0.572 nan 8.180 nan 0.000 1.495 431 T N 0.876 115.674 114.554 0.407 0.000 3.066 431 T HA 0.400 4.753 4.350 0.005 0.000 0.318 431 T C 0.742 175.571 174.700 0.215 0.000 0.979 431 T CA -0.219 62.068 62.100 0.312 0.000 1.025 431 T CB 1.498 70.514 68.868 0.246 0.000 1.002 431 T HN 0.084 nan 8.240 nan 0.000 0.453 432 I N -0.305 120.399 120.570 0.223 0.000 4.624 432 I HA -0.243 3.930 4.170 0.005 0.000 0.049 432 I C 0.663 176.918 176.117 0.230 0.000 0.621 432 I CA 1.660 63.089 61.300 0.214 0.000 0.836 432 I CB -1.303 36.802 38.000 0.175 0.000 0.765 432 I HN 0.520 nan 8.210 nan 0.000 0.159 433 E N -0.018 120.298 120.200 0.193 0.000 2.232 433 E HA 0.102 4.455 4.350 0.005 0.000 0.265 433 E C 0.493 177.211 176.600 0.197 0.000 1.001 433 E CA -0.404 56.107 56.400 0.185 0.000 0.870 433 E CB 0.789 30.563 29.700 0.123 0.000 1.175 433 E HN 0.356 nan 8.360 nan 0.000 0.407 434 W N 1.956 123.224 121.300 -0.053 0.000 2.333 434 W HA -0.169 4.494 4.660 0.005 0.000 0.316 434 W C 1.382 177.662 176.519 -0.398 0.000 1.215 434 W CA 1.574 58.754 57.345 -0.274 0.000 1.278 434 W CB 0.079 29.358 29.460 -0.302 0.000 1.154 434 W HN 0.379 nan 8.180 nan 0.000 0.486 435 Q N 0.622 120.203 119.800 -0.365 0.000 2.403 435 Q HA 0.248 4.592 4.340 0.005 0.000 0.203 435 Q C 1.036 176.884 176.000 -0.254 0.000 0.932 435 Q CA 1.102 56.598 55.803 -0.512 0.000 0.945 435 Q CB -0.296 28.218 28.738 -0.373 0.000 1.045 435 Q HN 0.374 nan 8.270 nan 0.000 0.511 436 G N 1.228 109.961 108.800 -0.111 0.000 2.760 436 G HA2 -0.160 3.804 3.960 0.005 0.000 0.246 436 G HA3 -0.160 3.804 3.960 0.005 0.000 0.246 436 G C -0.914 173.994 174.900 0.014 0.000 1.359 436 G CA -0.115 44.976 45.100 -0.015 0.000 0.861 436 G HN 0.287 nan 8.290 nan 0.000 0.541 437 D N -2.445 117.983 120.400 0.047 0.000 2.692 437 D HA 0.702 5.345 4.640 0.005 0.000 0.303 437 D C -0.367 175.974 176.300 0.069 0.000 1.278 437 D CA 0.592 54.623 54.000 0.051 0.000 0.852 437 D CB 1.640 42.469 40.800 0.047 0.000 1.375 437 D HN 0.711 nan 8.370 nan 0.000 0.453 438 T N -0.546 114.019 114.554 0.018 0.000 2.895 438 T HA 0.684 5.037 4.350 0.005 0.000 0.283 438 T C 0.367 174.978 174.700 -0.149 0.000 1.014 438 T CA 1.052 63.087 62.100 -0.107 0.000 1.037 438 T CB 0.515 69.299 68.868 -0.140 0.000 1.006 438 T HN 0.857 nan 8.240 nan 0.000 0.468 439 G N 2.920 111.571 108.800 -0.248 0.000 2.615 439 G HA2 -0.168 3.795 3.960 0.005 0.000 0.218 439 G HA3 -0.168 3.795 3.960 0.005 0.000 0.218 439 G C -0.346 174.495 174.900 -0.098 0.000 1.339 439 G CA -0.120 44.881 45.100 -0.166 0.000 0.884 439 G HN 0.920 nan 8.290 nan 0.000 0.559 440 R N 0.811 121.276 120.500 -0.058 0.000 2.891 440 R HA 0.466 4.809 4.340 0.005 0.000 0.248 440 R C 1.887 178.204 176.300 0.028 0.000 1.439 440 R CA 0.812 56.899 56.100 -0.023 0.000 1.288 440 R CB -0.442 29.848 30.300 -0.017 0.000 1.212 440 R HN 0.816 nan 8.270 nan 0.000 0.605 441 T N -1.396 113.179 114.554 0.035 0.000 3.067 441 T HA 0.023 4.377 4.350 0.005 0.000 0.261 441 T C 0.892 175.689 174.700 0.162 0.000 1.110 441 T CA 0.756 62.912 62.100 0.092 0.000 1.113 441 T CB 0.329 69.242 68.868 0.075 0.000 0.917 441 T HN 0.403 nan 8.240 nan 0.000 0.499 442 T N -0.267 114.324 114.554 0.061 0.000 2.612 442 T HA 0.518 4.871 4.350 0.005 0.000 0.296 442 T C -1.744 172.837 174.700 -0.198 0.000 1.148 442 T CA -0.541 61.488 62.100 -0.118 0.000 1.077 442 T CB 1.318 70.082 68.868 -0.174 0.000 1.591 442 T HN -0.059 nan 8.240 nan 0.000 0.479 443 V N 1.637 121.335 119.914 -0.360 0.000 2.432 443 V HA 0.768 4.891 4.120 0.005 0.000 0.275 443 V C 0.928 176.917 176.094 -0.175 0.000 1.043 443 V CA 0.675 62.832 62.300 -0.239 0.000 0.925 443 V CB 0.332 31.988 31.823 -0.279 0.000 0.985 443 V HN 1.188 nan 8.190 nan 0.000 0.466 444 G N 3.433 112.160 108.800 -0.121 0.000 2.428 444 G HA2 0.520 4.484 3.960 0.005 0.000 0.304 444 G HA3 0.520 4.484 3.960 0.005 0.000 0.304 444 G C -1.090 173.763 174.900 -0.079 0.000 1.303 444 G CA -0.463 44.572 45.100 -0.107 0.000 0.825 444 G HN 0.472 nan 8.290 nan 0.000 0.484 445 T N 1.136 115.648 114.554 -0.070 0.000 2.809 445 T HA 0.631 4.984 4.350 0.005 0.000 0.284 445 T C 0.573 175.246 174.700 -0.044 0.000 0.992 445 T CA 0.023 62.091 62.100 -0.053 0.000 0.957 445 T CB 1.231 70.073 68.868 -0.043 0.000 0.942 445 T HN 1.001 nan 8.240 nan 0.000 0.439 446 T N 0.559 115.084 114.554 -0.050 0.000 2.788 446 T HA 0.461 4.814 4.350 0.005 0.000 0.280 446 T C 1.692 176.378 174.700 -0.023 0.000 0.984 446 T CA -0.830 61.243 62.100 -0.044 0.000 0.972 446 T CB 0.449 69.267 68.868 -0.083 0.000 1.039 446 T HN 0.447 nan 8.240 nan 0.000 0.530 447 I N 0.395 120.965 120.570 -0.001 0.000 2.286 447 I HA -0.088 4.085 4.170 0.005 0.000 0.248 447 I C 2.349 178.480 176.117 0.023 0.000 1.115 447 I CA 1.020 62.340 61.300 0.032 0.000 1.392 447 I CB -0.466 37.571 38.000 0.062 0.000 1.065 447 I HN 0.539 nan 8.210 nan 0.000 0.418 448 L N 1.037 122.233 121.223 -0.045 0.000 2.017 448 L HA -0.201 4.142 4.340 0.005 0.000 0.208 448 L C 2.324 179.162 176.870 -0.054 0.000 1.073 448 L CA 1.916 56.705 54.840 -0.085 0.000 0.745 448 L CB -0.622 41.255 42.059 -0.304 0.000 0.894 448 L HN 0.191 nan 8.230 nan 0.000 0.432 449 E N -0.302 119.858 120.200 -0.068 0.000 2.150 449 E HA -0.164 4.190 4.350 0.005 0.000 0.193 449 E C 2.148 178.740 176.600 -0.013 0.000 0.985 449 E CA 0.950 57.322 56.400 -0.047 0.000 0.814 449 E CB -0.301 29.366 29.700 -0.056 0.000 0.752 449 E HN 0.671 nan 8.360 nan 0.000 0.466 450 A N 1.091 123.916 122.820 0.008 0.000 1.873 450 A HA -0.124 4.199 4.320 0.005 0.000 0.215 450 A C 2.518 180.142 177.584 0.067 0.000 1.186 450 A CA 1.017 53.077 52.037 0.038 0.000 0.616 450 A CB -0.653 18.383 19.000 0.059 0.000 0.823 450 A HN 0.107 nan 8.150 nan 0.000 0.442 451 V N 0.537 120.515 119.914 0.108 0.000 2.295 451 V HA -0.285 3.838 4.120 0.005 0.000 0.246 451 V C 2.432 178.540 176.094 0.023 0.000 1.049 451 V CA 2.362 64.755 62.300 0.155 0.000 1.024 451 V CB -0.665 31.294 31.823 0.227 0.000 0.648 451 V HN 0.543 nan 8.190 nan 0.000 0.447 452 K N 0.241 120.651 120.400 0.017 0.000 2.209 452 K HA -0.094 4.230 4.320 0.005 0.000 0.204 452 K C 2.053 178.633 176.600 -0.035 0.000 1.048 452 K CA 1.412 57.693 56.287 -0.009 0.000 0.940 452 K CB -0.308 32.190 32.500 -0.005 0.000 0.729 452 K HN 0.496 nan 8.250 nan 0.000 0.451 453 A N 0.759 123.560 122.820 -0.032 0.000 2.169 453 A HA 0.148 4.472 4.320 0.005 0.000 0.212 453 A C 2.048 179.592 177.584 -0.066 0.000 1.153 453 A CA 1.137 53.151 52.037 -0.038 0.000 0.756 453 A CB -0.082 18.905 19.000 -0.022 0.000 0.813 453 A HN 0.281 nan 8.150 nan 0.000 0.471 454 A N -0.308 122.442 122.820 -0.117 0.000 2.085 454 A HA 0.431 4.754 4.320 0.005 0.000 0.208 454 A C 1.157 178.541 177.584 -0.334 0.000 1.191 454 A CA 0.714 52.622 52.037 -0.215 0.000 0.799 454 A CB -0.737 18.104 19.000 -0.264 0.000 0.877 454 A HN 0.842 nan 8.150 nan 0.000 0.473 455 V N -1.124 118.592 119.914 -0.330 0.000 3.133 455 V HA 0.248 4.372 4.120 0.005 0.000 0.305 455 V C 0.136 176.147 176.094 -0.138 0.000 1.084 455 V CA -1.010 61.121 62.300 -0.281 0.000 1.089 455 V CB 0.499 32.209 31.823 -0.189 0.000 1.073 455 V HN 0.371 nan 8.190 nan 0.000 0.477 456 D N 3.390 123.733 120.400 -0.095 0.000 2.414 456 D HA 0.116 4.759 4.640 0.005 0.000 0.242 456 D C -1.376 174.904 176.300 -0.034 0.000 1.129 456 D CA -1.140 52.831 54.000 -0.049 0.000 0.885 456 D CB 1.863 42.648 40.800 -0.023 0.000 1.198 456 D HN 0.538 nan 8.370 nan 0.000 0.437 457 P HA -0.152 nan 4.420 nan 0.000 0.223 457 P C 1.056 178.351 177.300 -0.008 0.000 1.144 457 P CA 0.903 63.993 63.100 -0.016 0.000 0.783 457 P CB 0.109 31.800 31.700 -0.014 0.000 0.771 458 S N -2.369 113.327 115.700 -0.006 0.000 2.528 458 S HA 0.038 4.511 4.470 0.005 0.000 0.219 458 S C 0.925 175.526 174.600 0.002 0.000 0.985 458 S CA -0.057 58.143 58.200 -0.001 0.000 0.914 458 S CB -1.222 61.978 63.200 0.000 0.000 0.776 458 S HN 0.009 nan 8.310 nan 0.000 0.526 459 T N 3.203 117.759 114.554 0.002 0.000 2.779 459 T HA 0.393 4.746 4.350 0.005 0.000 0.296 459 T C -0.278 174.431 174.700 0.016 0.000 0.938 459 T CA -0.297 61.808 62.100 0.009 0.000 1.119 459 T CB 1.156 70.030 68.868 0.011 0.000 0.891 459 T HN 0.106 nan 8.240 nan 0.000 0.526 460 V N 5.347 125.275 119.914 0.022 0.000 2.408 460 V HA 0.211 4.334 4.120 0.005 0.000 0.267 460 V C 0.263 176.402 176.094 0.075 0.000 1.047 460 V CA -0.548 61.776 62.300 0.041 0.000 0.937 460 V CB 1.014 32.857 31.823 0.033 0.000 0.999 460 V HN 0.653 nan 8.190 nan 0.000 0.472 461 V N 6.424 126.389 119.914 0.085 0.000 2.350 461 V HA 0.411 4.535 4.120 0.005 0.000 0.276 461 V C -0.010 176.181 176.094 0.161 0.000 1.028 461 V CA -0.488 61.880 62.300 0.115 0.000 0.860 461 V CB 1.611 33.491 31.823 0.094 0.000 0.990 461 V HN 0.594 nan 8.190 nan 0.000 0.453 462 V N 5.759 125.801 119.914 0.213 0.000 2.459 462 V HA 0.496 4.619 4.120 0.005 0.000 0.295 462 V C -0.589 175.659 176.094 0.256 0.000 1.029 462 V CA -0.580 61.879 62.300 0.265 0.000 0.874 462 V CB 1.705 33.779 31.823 0.419 0.000 0.985 462 V HN 0.704 nan 8.190 nan 0.000 0.438 463 F N 4.156 124.161 119.950 0.093 0.000 2.469 463 F HA 0.844 5.374 4.527 0.006 0.000 0.332 463 F C -0.004 175.812 175.800 0.026 0.000 1.103 463 F CA -0.942 57.086 58.000 0.046 0.000 0.979 463 F CB 1.538 40.557 39.000 0.031 0.000 1.137 463 F HN 0.573 nan 8.300 nan 0.000 0.463 464 A N 5.548 127.795 122.820 -0.956 0.000 2.442 464 A HA 0.331 4.655 4.320 0.005 0.000 0.284 464 A C 0.422 177.450 177.584 -0.928 0.000 1.058 464 A CA -0.451 51.061 52.037 -0.874 0.000 0.738 464 A CB 0.947 19.639 19.000 -0.513 0.000 1.242 464 A HN 0.939 nan 8.150 nan 0.000 0.421 465 E N 1.983 121.651 120.200 -0.887 0.000 2.051 465 E HA -0.100 4.253 4.350 0.005 0.000 0.192 465 E C -0.073 176.417 176.600 -0.185 0.000 0.991 465 E CA 1.006 57.171 56.400 -0.393 0.000 0.799 465 E CB 0.049 29.657 29.700 -0.154 0.000 0.748 465 E HN 0.670 nan 8.360 nan 0.000 0.449 466 N N 1.398 119.979 118.700 -0.199 0.000 2.726 466 N HA 0.193 4.937 4.740 0.005 0.000 0.253 466 N C -2.617 172.802 175.510 -0.151 0.000 1.530 466 N CA -0.677 52.302 53.050 -0.118 0.000 0.772 466 N CB 1.718 40.170 38.487 -0.059 0.000 1.220 466 N HN 0.188 nan 8.380 nan 0.000 0.508 467 P HA 0.172 nan 4.420 nan 0.000 0.274 467 P C -0.557 176.729 177.300 -0.024 0.000 1.231 467 P CA -0.113 62.882 63.100 -0.176 0.000 0.790 467 P CB 1.158 32.796 31.700 -0.103 0.000 0.951 468 D N -0.032 120.379 120.400 0.018 0.000 2.348 468 D HA 0.363 5.007 4.640 0.005 0.000 0.249 468 D C 1.355 177.731 176.300 0.127 0.000 1.110 468 D CA -0.764 53.272 54.000 0.061 0.000 0.967 468 D CB 0.520 41.349 40.800 0.049 0.000 1.139 468 D HN 0.273 nan 8.370 nan 0.000 0.466 469 A N 0.899 123.773 122.820 0.090 0.000 1.892 469 A HA -0.308 4.015 4.320 0.005 0.000 0.218 469 A C 1.886 179.534 177.584 0.107 0.000 1.188 469 A CA 2.112 54.202 52.037 0.089 0.000 0.631 469 A CB -1.151 17.883 19.000 0.057 0.000 0.822 469 A HN 0.845 nan 8.150 nan 0.000 0.447 470 E N -1.737 118.527 120.200 0.106 0.000 2.358 470 E HA -0.096 4.257 4.350 0.005 0.000 0.195 470 E C 1.686 178.360 176.600 0.123 0.000 1.010 470 E CA 0.857 57.312 56.400 0.092 0.000 0.856 470 E CB -0.447 29.294 29.700 0.068 0.000 0.795 470 E HN 0.634 nan 8.360 nan 0.000 0.504 471 F N 2.054 122.034 119.950 0.050 0.000 2.186 471 F HA -0.125 4.405 4.527 0.005 0.000 0.299 471 F C 1.870 177.762 175.800 0.152 0.000 1.090 471 F CA 1.119 59.165 58.000 0.076 0.000 1.307 471 F CB -0.069 38.967 39.000 0.060 0.000 1.019 471 F HN -0.141 nan 8.300 nan 0.000 0.489 472 V N 1.028 121.032 119.914 0.151 0.000 2.323 472 V HA -0.261 3.862 4.120 0.005 0.000 0.244 472 V C 2.358 178.505 176.094 0.089 0.000 1.041 472 V CA 2.139 64.520 62.300 0.135 0.000 1.025 472 V CB -0.751 31.162 31.823 0.150 0.000 0.656 472 V HN 0.253 nan 8.190 nan 0.000 0.451 473 K N 1.115 121.543 120.400 0.046 0.000 2.097 473 K HA -0.130 4.194 4.320 0.005 0.000 0.206 473 K C 2.171 178.744 176.600 -0.044 0.000 1.049 473 K CA 1.805 58.101 56.287 0.016 0.000 0.933 473 K CB -0.319 32.191 32.500 0.017 0.000 0.717 473 K HN 0.631 nan 8.250 nan 0.000 0.442 474 S N -0.344 115.302 115.700 -0.089 0.000 2.575 474 S HA 0.050 4.523 4.470 0.005 0.000 0.215 474 S C 1.872 176.306 174.600 -0.277 0.000 0.966 474 S CA 0.234 58.349 58.200 -0.142 0.000 0.911 474 S CB 0.426 63.565 63.200 -0.101 0.000 0.780 474 S HN 0.310 nan 8.310 nan 0.000 0.514 475 G N 1.366 109.923 108.800 -0.405 0.000 2.534 475 G HA2 0.348 4.312 3.960 0.005 0.000 0.217 475 G HA3 0.348 4.312 3.960 0.005 0.000 0.217 475 G C 1.133 175.444 174.900 -0.982 0.000 1.128 475 G CA 0.049 44.641 45.100 -0.848 0.000 0.784 475 G HN 1.415 nan 8.290 nan 0.000 0.542 476 G N -0.596 107.875 108.800 -0.548 0.000 2.272 476 G HA2 -0.253 3.710 3.960 0.005 0.000 0.280 476 G HA3 -0.253 3.710 3.960 0.005 0.000 0.280 476 G C 0.013 174.672 174.900 -0.403 0.000 1.067 476 G CA -0.093 44.778 45.100 -0.382 0.000 0.902 476 G HN 0.361 nan 8.290 nan 0.000 0.500 477 F N 0.010 119.897 119.950 -0.104 0.000 2.379 477 F HA 0.524 5.054 4.527 0.005 0.000 0.332 477 F C 1.709 177.458 175.800 -0.086 0.000 1.096 477 F CA -0.076 57.858 58.000 -0.110 0.000 1.105 477 F CB 1.566 40.500 39.000 -0.109 0.000 1.189 477 F HN 0.026 nan 8.300 nan 0.000 0.515 478 S N 0.651 116.387 115.700 0.060 0.000 2.395 478 S HA -0.013 4.461 4.470 0.005 0.000 0.225 478 S C -0.676 174.023 174.600 0.164 0.000 1.027 478 S CA 0.916 59.152 58.200 0.059 0.000 0.965 478 S CB -0.221 62.989 63.200 0.017 0.000 0.812 478 S HN 0.657 nan 8.310 nan 0.000 0.482 479 Y N -1.870 118.509 120.300 0.131 0.000 2.750 479 Y HA 0.769 5.323 4.550 0.005 0.000 0.335 479 Y C -1.197 174.724 175.900 0.036 0.000 1.252 479 Y CA -1.917 56.227 58.100 0.073 0.000 1.064 479 Y CB 0.543 39.035 38.460 0.053 0.000 1.321 479 Y HN -0.036 nan 8.280 nan 0.000 0.451 480 A N 1.033 124.021 122.820 0.279 0.000 2.515 480 A HA 0.830 5.153 4.320 0.005 0.000 0.298 480 A C -1.856 175.827 177.584 0.165 0.000 1.059 480 A CA -0.833 51.274 52.037 0.118 0.000 0.698 480 A CB 1.324 20.301 19.000 -0.039 0.000 1.289 480 A HN 0.733 nan 8.150 nan 0.000 0.404 481 I N 1.769 122.418 120.570 0.132 0.000 2.389 481 I HA 0.478 4.651 4.170 0.005 0.000 0.288 481 I C -0.936 175.226 176.117 0.076 0.000 0.999 481 I CA -0.842 60.517 61.300 0.098 0.000 1.129 481 I CB 1.932 40.006 38.000 0.123 0.000 1.288 481 I HN 0.331 nan 8.210 nan 0.000 0.444 482 V N 5.275 125.219 119.914 0.049 0.000 2.487 482 V HA 0.731 4.854 4.120 0.005 0.000 0.298 482 V C -0.014 176.108 176.094 0.047 0.000 1.028 482 V CA -0.611 61.720 62.300 0.051 0.000 0.860 482 V CB 1.632 33.470 31.823 0.025 0.000 0.991 482 V HN 0.799 nan 8.190 nan 0.000 0.427 483 A N 4.832 127.703 122.820 0.084 0.000 2.304 483 A HA 0.955 5.278 4.320 0.005 0.000 0.314 483 A C -0.521 177.104 177.584 0.069 0.000 1.187 483 A CA -0.479 51.604 52.037 0.077 0.000 0.810 483 A CB 1.517 20.599 19.000 0.137 0.000 1.183 483 A HN 1.507 nan 8.150 nan 0.000 0.487 484 V N -0.360 119.494 119.914 -0.101 0.000 3.182 484 V HA 1.077 5.200 4.120 0.005 0.000 0.308 484 V C 0.170 175.864 176.094 -0.666 0.000 1.240 484 V CA -0.087 62.041 62.300 -0.288 0.000 1.063 484 V CB 1.166 32.929 31.823 -0.101 0.000 1.076 484 V HN 2.362 nan 8.190 nan 0.000 0.446 485 G N 0.036 108.366 108.800 -0.783 0.000 2.351 485 G HA2 0.300 4.263 3.960 0.005 0.000 0.279 485 G HA3 0.300 4.263 3.960 0.005 0.000 0.279 485 G C -1.278 173.477 174.900 -0.241 0.000 1.297 485 G CA -0.437 44.361 45.100 -0.502 0.000 0.886 485 G HN 0.966 nan 8.290 nan 0.000 0.493 486 E N -0.217 119.947 120.200 -0.060 0.000 2.371 486 E HA 0.404 4.757 4.350 0.005 0.000 0.257 486 E C -0.245 176.396 176.600 0.069 0.000 1.134 486 E CA -0.199 56.199 56.400 -0.004 0.000 0.919 486 E CB 0.657 30.438 29.700 0.136 0.000 1.025 486 E HN 0.500 nan 8.360 nan 0.000 0.438 487 H N 0.223 119.250 119.070 -0.072 0.000 2.508 487 H HA 0.241 4.801 4.556 0.005 0.000 0.344 487 H C -2.051 173.180 175.328 -0.162 0.000 1.192 487 H CA -2.455 53.392 56.048 -0.335 0.000 1.290 487 H CB 0.863 30.455 29.762 -0.283 0.000 1.571 487 H HN 0.262 nan 8.280 nan 0.000 0.555 488 P HA -0.006 nan 4.420 nan 0.000 0.268 488 P C -1.432 175.810 177.300 -0.097 0.000 1.205 488 P CA 0.460 63.455 63.100 -0.174 0.000 0.771 488 P CB 0.254 31.898 31.700 -0.092 0.000 0.858 489 Y N -1.714 118.469 120.300 -0.195 0.000 2.604 489 Y HA 0.757 5.311 4.550 0.006 0.000 0.331 489 Y C -1.300 174.444 175.900 -0.260 0.000 1.158 489 Y CA -1.015 56.950 58.100 -0.226 0.000 1.056 489 Y CB 0.501 38.872 38.460 -0.149 0.000 1.330 489 Y HN 0.210 nan 8.280 nan 0.000 0.457 490 T N 1.957 116.368 114.554 -0.238 0.000 2.933 490 T HA 0.467 4.820 4.350 0.005 0.000 0.305 490 T C -0.725 173.734 174.700 -0.402 0.000 1.092 490 T CA -0.335 61.493 62.100 -0.453 0.000 1.008 490 T CB 2.337 70.484 68.868 -1.200 0.000 1.102 490 T HN 0.939 nan 8.240 nan 0.000 0.469 491 E N 0.423 120.480 120.200 -0.237 0.000 3.440 491 E HA -0.294 4.059 4.350 0.005 0.000 0.328 491 E C 1.251 177.793 176.600 -0.097 0.000 1.514 491 E CA 1.531 57.857 56.400 -0.123 0.000 1.926 491 E CB -1.269 28.466 29.700 0.058 0.000 1.874 491 E HN 0.725 nan 8.360 nan 0.000 0.471 492 T N 0.879 115.422 114.554 -0.019 0.000 2.699 492 T HA -0.215 4.138 4.350 0.005 0.000 0.268 492 T C 1.501 176.164 174.700 -0.062 0.000 1.036 492 T CA 2.025 64.121 62.100 -0.005 0.000 1.147 492 T CB -0.251 68.634 68.868 0.028 0.000 0.862 492 T HN 0.230 nan 8.240 nan 0.000 0.446 493 K N 0.504 120.838 120.400 -0.110 0.000 2.442 493 K HA -0.014 4.309 4.320 0.005 0.000 0.199 493 K C 2.323 178.826 176.600 -0.161 0.000 1.044 493 K CA 0.829 57.043 56.287 -0.121 0.000 0.941 493 K CB -0.199 32.207 32.500 -0.157 0.000 0.759 493 K HN 0.424 nan 8.250 nan 0.000 0.472 494 G N 0.796 109.491 108.800 -0.175 0.000 2.683 494 G HA2 -0.094 3.869 3.960 0.005 0.000 0.213 494 G HA3 -0.094 3.869 3.960 0.005 0.000 0.213 494 G C -0.014 174.667 174.900 -0.366 0.000 1.142 494 G CA -0.222 44.625 45.100 -0.422 0.000 0.793 494 G HN 0.151 nan 8.290 nan 0.000 0.534 495 D N 1.265 121.570 120.400 -0.159 0.000 2.472 495 D HA 0.110 4.754 4.640 0.005 0.000 0.248 495 D C -0.209 176.021 176.300 -0.117 0.000 1.174 495 D CA 0.546 54.503 54.000 -0.072 0.000 0.883 495 D CB 0.581 41.384 40.800 0.006 0.000 1.149 495 D HN 0.126 nan 8.370 nan 0.000 0.488 496 N N 3.035 121.669 118.700 -0.109 0.000 2.371 496 N HA 0.168 4.911 4.740 0.005 0.000 0.291 496 N C 0.167 175.636 175.510 -0.068 0.000 1.053 496 N CA -0.475 52.509 53.050 -0.109 0.000 0.870 496 N CB 1.416 39.806 38.487 -0.163 0.000 1.503 496 N HN 0.194 nan 8.380 nan 0.000 0.485 497 L N 2.545 123.733 121.223 -0.057 0.000 2.477 497 L HA 0.063 4.406 4.340 0.005 0.000 0.220 497 L C 1.528 178.365 176.870 -0.056 0.000 1.106 497 L CA 0.560 55.368 54.840 -0.054 0.000 0.851 497 L CB -0.050 41.983 42.059 -0.043 0.000 0.994 497 L HN 0.581 nan 8.230 nan 0.000 0.462 498 N N 0.116 118.790 118.700 -0.044 0.000 2.402 498 N HA -0.048 4.695 4.740 0.005 0.000 0.174 498 N C 0.915 176.425 175.510 -0.001 0.000 1.027 498 N CA -0.076 52.958 53.050 -0.026 0.000 0.891 498 N CB -0.113 38.364 38.487 -0.017 0.000 1.016 498 N HN 0.058 nan 8.380 nan 0.000 0.439 499 L N 1.011 122.233 121.223 -0.002 0.000 3.660 499 L HA -0.195 4.149 4.340 0.005 0.000 0.440 499 L C -0.847 176.079 176.870 0.094 0.000 1.262 499 L CA 0.765 55.638 54.840 0.055 0.000 0.837 499 L CB -2.656 39.479 42.059 0.126 0.000 1.689 499 L HN 0.659 nan 8.230 nan 0.000 0.890 500 T N -2.094 112.484 114.554 0.041 0.000 2.856 500 T HA 0.720 5.073 4.350 0.005 0.000 0.283 500 T C 0.267 174.965 174.700 -0.004 0.000 1.008 500 T CA -0.913 61.211 62.100 0.040 0.000 0.997 500 T CB 2.499 71.385 68.868 0.031 0.000 0.992 500 T HN 0.330 nan 8.240 nan 0.000 0.454 501 I N 0.472 121.036 120.570 -0.009 0.000 2.754 501 I HA 0.466 4.640 4.170 0.005 0.000 0.285 501 I C -2.495 173.574 176.117 -0.080 0.000 1.166 501 I CA -1.964 59.299 61.300 -0.061 0.000 1.417 501 I CB -0.307 37.655 38.000 -0.064 0.000 1.382 501 I HN 0.364 nan 8.210 nan 0.000 0.588 502 P HA 0.182 nan 4.420 nan 0.000 0.272 502 P C -0.825 176.448 177.300 -0.046 0.000 1.240 502 P CA -0.162 62.858 63.100 -0.132 0.000 0.791 502 P CB 0.484 31.992 31.700 -0.320 0.000 0.978 503 E N 1.107 121.309 120.200 0.003 0.000 2.222 503 E HA 0.362 4.716 4.350 0.005 0.000 0.272 503 E C -1.976 174.673 176.600 0.081 0.000 0.982 503 E CA -1.793 54.629 56.400 0.036 0.000 0.842 503 E CB -0.010 29.706 29.700 0.028 0.000 1.144 503 E HN 0.416 nan 8.360 nan 0.000 0.397 504 P HA 0.353 nan 4.420 nan 0.000 0.280 504 P C -0.117 177.225 177.300 0.071 0.000 1.244 504 P CA -0.233 62.905 63.100 0.063 0.000 0.784 504 P CB 1.539 33.272 31.700 0.055 0.000 0.913 505 G N 1.339 110.163 108.800 0.039 0.000 3.361 505 G HA2 -0.071 3.892 3.960 0.005 0.000 0.200 505 G HA3 -0.071 3.892 3.960 0.005 0.000 0.200 505 G C 0.691 175.596 174.900 0.009 0.000 1.355 505 G CA 0.093 45.209 45.100 0.025 0.000 0.798 505 G HN 0.471 nan 8.290 nan 0.000 0.803 506 L N 2.579 123.805 121.223 0.004 0.000 2.093 506 L HA 0.082 4.426 4.340 0.005 0.000 0.208 506 L C 2.869 179.743 176.870 0.007 0.000 1.085 506 L CA 3.066 57.907 54.840 0.002 0.000 0.755 506 L CB -0.599 41.462 42.059 0.003 0.000 0.904 506 L HN 0.368 nan 8.230 nan 0.000 0.435 507 S N -2.613 113.094 115.700 0.012 0.000 2.402 507 S HA -0.162 4.312 4.470 0.005 0.000 0.229 507 S C 1.821 176.430 174.600 0.014 0.000 1.021 507 S CA 1.439 59.647 58.200 0.013 0.000 0.974 507 S CB -1.149 62.060 63.200 0.015 0.000 0.800 507 S HN 0.522 nan 8.310 nan 0.000 0.484 508 T N 2.213 116.776 114.554 0.016 0.000 2.777 508 T HA 0.040 4.393 4.350 0.005 0.000 0.266 508 T C 1.900 176.607 174.700 0.012 0.000 1.040 508 T CA 1.279 63.388 62.100 0.015 0.000 1.141 508 T CB -0.514 68.368 68.868 0.023 0.000 0.868 508 T HN 0.279 nan 8.240 nan 0.000 0.444 509 V N 1.715 121.634 119.914 0.008 0.000 2.407 509 V HA -0.208 3.915 4.120 0.005 0.000 0.248 509 V C 2.579 178.675 176.094 0.004 0.000 1.055 509 V CA 1.642 63.944 62.300 0.002 0.000 1.049 509 V CB -0.651 31.167 31.823 -0.008 0.000 0.662 509 V HN 0.531 nan 8.190 nan 0.000 0.455 510 Q N -0.231 119.572 119.800 0.006 0.000 2.083 510 Q HA -0.102 4.242 4.340 0.005 0.000 0.198 510 Q C 2.469 178.478 176.000 0.016 0.000 0.969 510 Q CA 1.594 57.402 55.803 0.008 0.000 0.838 510 Q CB -0.407 28.336 28.738 0.008 0.000 0.900 510 Q HN 0.653 nan 8.270 nan 0.000 0.436 511 A N 0.533 123.365 122.820 0.020 0.000 1.883 511 A HA -0.153 4.170 4.320 0.005 0.000 0.217 511 A C 2.342 179.950 177.584 0.039 0.000 1.186 511 A CA 1.516 53.572 52.037 0.032 0.000 0.624 511 A CB -0.736 18.284 19.000 0.033 0.000 0.822 511 A HN 0.202 nan 8.150 nan 0.000 0.444 512 V N -0.922 119.010 119.914 0.030 0.000 2.283 512 V HA -0.267 3.856 4.120 0.005 0.000 0.243 512 V C 2.600 178.710 176.094 0.026 0.000 1.039 512 V CA 1.970 64.287 62.300 0.027 0.000 1.016 512 V CB -1.018 30.810 31.823 0.008 0.000 0.650 512 V HN 0.692 nan 8.190 nan 0.000 0.449 513 c N 1.121 119.731 118.600 0.018 0.000 2.419 513 c HA -0.001 4.573 4.570 0.005 0.000 0.283 513 c C 2.769 176.872 174.090 0.021 0.000 1.373 513 c CA 0.550 56.889 56.329 0.017 0.000 1.781 513 c CB -1.745 40.768 42.510 0.005 0.000 1.886 513 c HN 0.698 nan 8.230 nan 0.000 0.520 514 G N 0.224 109.038 108.800 0.023 0.000 2.484 514 G HA2 0.148 4.111 3.960 0.005 0.000 0.218 514 G HA3 0.148 4.111 3.960 0.005 0.000 0.218 514 G C 1.611 176.530 174.900 0.031 0.000 1.130 514 G CA 1.065 46.179 45.100 0.024 0.000 0.784 514 G HN 0.582 nan 8.290 nan 0.000 0.543 515 G N -1.357 107.468 108.800 0.041 0.000 2.762 515 G HA2 0.397 4.360 3.960 0.005 0.000 0.209 515 G HA3 0.397 4.360 3.960 0.005 0.000 0.209 515 G C -0.178 174.758 174.900 0.061 0.000 1.134 515 G CA 0.832 45.963 45.100 0.052 0.000 0.781 515 G HN 0.574 nan 8.290 nan 0.000 0.528 516 V N 0.321 120.271 119.914 0.060 0.000 3.225 516 V HA 0.461 4.584 4.120 0.005 0.000 0.293 516 V C -1.067 175.066 176.094 0.066 0.000 1.405 516 V CA -1.485 60.859 62.300 0.074 0.000 1.038 516 V CB 2.030 33.918 31.823 0.109 0.000 1.123 516 V HN 0.524 nan 8.190 nan 0.000 0.447 517 R N 3.233 123.780 120.500 0.078 0.000 2.538 517 R HA 0.441 4.785 4.340 0.005 0.000 0.282 517 R C -0.158 176.188 176.300 0.076 0.000 1.009 517 R CA 0.254 56.392 56.100 0.064 0.000 1.063 517 R CB -0.455 29.885 30.300 0.067 0.000 0.945 517 R HN 0.959 nan 8.270 nan 0.000 0.414 518 c N 0.044 118.665 118.600 0.035 0.000 2.712 518 c HA 0.898 5.471 4.570 0.005 0.000 0.308 518 c C -0.142 173.939 174.090 -0.014 0.000 1.201 518 c CA -0.931 55.415 56.329 0.028 0.000 1.554 518 c CB 1.420 43.939 42.510 0.016 0.000 2.117 518 c HN 0.976 nan 8.230 nan 0.000 0.480 519 A N 2.498 125.306 122.820 -0.021 0.000 2.285 519 A HA 0.707 5.030 4.320 0.005 0.000 0.310 519 A C 0.045 177.601 177.584 -0.046 0.000 1.266 519 A CA -0.037 51.962 52.037 -0.064 0.000 0.832 519 A CB 0.316 19.256 19.000 -0.101 0.000 1.163 519 A HN 0.964 nan 8.150 nan 0.000 0.499 520 T N 2.312 116.828 114.554 -0.064 0.000 2.771 520 T HA 0.428 4.781 4.350 0.005 0.000 0.291 520 T C -0.117 174.538 174.700 -0.074 0.000 0.954 520 T CA -0.091 61.974 62.100 -0.058 0.000 1.045 520 T CB 0.894 69.722 68.868 -0.066 0.000 0.917 520 T HN 0.368 nan 8.240 nan 0.000 0.484 521 V N 5.306 125.191 119.914 -0.049 0.000 2.328 521 V HA 0.330 4.453 4.120 0.005 0.000 0.278 521 V C -0.189 175.859 176.094 -0.077 0.000 1.021 521 V CA -0.842 61.426 62.300 -0.053 0.000 0.838 521 V CB 1.118 32.938 31.823 -0.005 0.000 0.999 521 V HN 0.633 nan 8.190 nan 0.000 0.447 522 L N 7.378 128.529 121.223 -0.119 0.000 2.260 522 L HA 0.514 4.857 4.340 0.005 0.000 0.289 522 L C -0.327 176.457 176.870 -0.143 0.000 1.057 522 L CA 0.246 55.004 54.840 -0.137 0.000 0.811 522 L CB 0.671 42.652 42.059 -0.130 0.000 1.184 522 L HN 0.389 nan 8.230 nan 0.000 0.429 523 I N 5.235 125.727 120.570 -0.130 0.000 2.312 523 I HA 0.490 4.664 4.170 0.005 0.000 0.290 523 I C 0.128 176.225 176.117 -0.035 0.000 1.008 523 I CA 0.011 61.284 61.300 -0.045 0.000 1.226 523 I CB 0.570 38.617 38.000 0.078 0.000 1.371 523 I HN 0.807 nan 8.210 nan 0.000 0.468 524 S N 3.056 118.767 115.700 0.017 0.000 2.587 524 S HA 0.577 5.050 4.470 0.005 0.000 0.269 524 S C 0.165 174.870 174.600 0.175 0.000 1.154 524 S CA -0.372 57.870 58.200 0.070 0.000 0.824 524 S CB 1.478 64.707 63.200 0.050 0.000 1.118 524 S HN 0.656 nan 8.310 nan 0.000 0.462 525 G N 0.357 109.257 108.800 0.167 0.000 3.284 525 G HA2 0.513 4.476 3.960 0.005 0.000 0.236 525 G HA3 0.513 4.476 3.960 0.005 0.000 0.236 525 G C 0.289 175.388 174.900 0.333 0.000 1.158 525 G CA -0.209 45.010 45.100 0.199 0.000 0.774 525 G HN 1.040 nan 8.290 nan 0.000 0.545 526 R N -2.428 118.270 120.500 0.330 0.000 2.829 526 R HA 0.276 4.619 4.340 0.005 0.000 0.284 526 R C -3.622 172.685 176.300 0.012 0.000 1.006 526 R CA -1.455 54.792 56.100 0.245 0.000 0.844 526 R CB -0.248 30.161 30.300 0.182 0.000 1.309 526 R HN -0.194 nan 8.270 nan 0.000 0.494 527 P HA 0.172 nan 4.420 nan 0.000 0.271 527 P C -0.647 176.336 177.300 -0.529 0.000 1.218 527 P CA -0.436 61.928 63.100 -1.227 0.000 0.780 527 P CB 0.999 31.697 31.700 -1.670 0.000 0.901 528 V N -0.330 119.390 119.914 -0.323 0.000 3.160 528 V HA 0.455 4.579 4.120 0.005 0.000 0.310 528 V C -0.298 175.924 176.094 0.214 0.000 1.181 528 V CA -1.212 61.147 62.300 0.098 0.000 1.047 528 V CB 1.611 33.507 31.823 0.121 0.000 1.068 528 V HN 0.123 nan 8.190 nan 0.000 0.441 529 V N 1.576 121.663 119.914 0.287 0.000 2.452 529 V HA 0.049 4.172 4.120 0.005 0.000 0.286 529 V C 1.120 177.330 176.094 0.194 0.000 0.995 529 V CA 1.284 63.745 62.300 0.267 0.000 1.116 529 V CB 0.686 32.638 31.823 0.216 0.000 0.954 529 V HN 0.858 nan 8.190 nan 0.000 0.473 530 V N 4.303 124.327 119.914 0.183 0.000 3.635 530 V HA 0.005 4.129 4.120 0.005 0.000 0.266 530 V C 1.874 177.958 176.094 -0.015 0.000 1.316 530 V CA 0.767 63.110 62.300 0.071 0.000 1.060 530 V CB 0.807 32.617 31.823 -0.022 0.000 0.820 530 V HN 0.947 nan 8.190 nan 0.000 0.447 531 Q N 1.276 121.068 119.800 -0.014 0.000 2.082 531 Q HA -0.231 4.112 4.340 0.005 0.000 0.211 531 Q C -0.289 175.692 176.000 -0.032 0.000 1.002 531 Q CA 3.208 58.986 55.803 -0.042 0.000 0.868 531 Q CB -1.691 27.029 28.738 -0.031 0.000 0.931 531 Q HN 0.519 nan 8.270 nan 0.000 0.414 532 P HA -0.176 nan 4.420 nan 0.000 0.215 532 P C 0.964 178.251 177.300 -0.021 0.000 1.157 532 P CA 1.160 64.253 63.100 -0.012 0.000 0.868 532 P CB -0.048 31.652 31.700 0.001 0.000 0.788 533 L N -1.828 119.381 121.223 -0.025 0.000 2.046 533 L HA -0.184 4.159 4.340 0.005 0.000 0.208 533 L C 2.383 179.220 176.870 -0.055 0.000 1.077 533 L CA 1.049 55.866 54.840 -0.038 0.000 0.747 533 L CB -1.039 40.993 42.059 -0.045 0.000 0.896 533 L HN -0.011 nan 8.230 nan 0.000 0.432 534 L N 0.040 121.223 121.223 -0.066 0.000 2.046 534 L HA -0.163 4.180 4.340 0.005 0.000 0.208 534 L C 2.659 179.497 176.870 -0.054 0.000 1.077 534 L CA 2.012 56.809 54.840 -0.072 0.000 0.747 534 L CB -0.795 41.218 42.059 -0.077 0.000 0.896 534 L HN 0.176 nan 8.230 nan 0.000 0.432 535 A N -1.136 121.656 122.820 -0.046 0.000 1.930 535 A HA -0.061 4.262 4.320 0.005 0.000 0.217 535 A C 2.369 179.935 177.584 -0.029 0.000 1.175 535 A CA 1.601 53.616 52.037 -0.036 0.000 0.627 535 A CB -0.860 18.122 19.000 -0.031 0.000 0.815 535 A HN 0.468 nan 8.150 nan 0.000 0.443 536 A N -0.174 122.630 122.820 -0.027 0.000 2.016 536 A HA 0.256 4.580 4.320 0.005 0.000 0.217 536 A C 1.438 179.009 177.584 -0.023 0.000 1.162 536 A CA 1.018 53.042 52.037 -0.020 0.000 0.662 536 A CB -0.480 18.511 19.000 -0.015 0.000 0.812 536 A HN 0.619 nan 8.150 nan 0.000 0.450 537 S N -0.188 115.491 115.700 -0.035 0.000 2.617 537 S HA 0.426 4.899 4.470 0.005 0.000 0.283 537 S C -0.262 174.311 174.600 -0.045 0.000 1.189 537 S CA -0.255 57.922 58.200 -0.039 0.000 1.036 537 S CB 1.449 64.617 63.200 -0.053 0.000 1.014 537 S HN 0.286 nan 8.310 nan 0.000 0.522 538 D N 1.116 121.491 120.400 -0.042 0.000 2.149 538 D HA 0.293 4.936 4.640 0.005 0.000 0.201 538 D C 0.552 176.809 176.300 -0.072 0.000 0.972 538 D CA 1.275 55.247 54.000 -0.046 0.000 0.835 538 D CB 0.059 40.838 40.800 -0.035 0.000 0.966 538 D HN 0.740 nan 8.370 nan 0.000 0.476 539 A N 0.106 122.871 122.820 -0.091 0.000 2.486 539 A HA 0.684 5.007 4.320 0.005 0.000 0.300 539 A C -1.710 175.787 177.584 -0.144 0.000 1.048 539 A CA -0.594 51.364 52.037 -0.132 0.000 0.696 539 A CB 1.257 20.166 19.000 -0.153 0.000 1.278 539 A HN 0.140 nan 8.150 nan 0.000 0.405 540 L N 2.494 123.605 121.223 -0.188 0.000 2.436 540 L HA 0.774 5.117 4.340 0.005 0.000 0.268 540 L C -1.614 175.100 176.870 -0.261 0.000 0.974 540 L CA -0.627 54.093 54.840 -0.201 0.000 0.826 540 L CB 2.047 43.984 42.059 -0.204 0.000 1.291 540 L HN 0.511 nan 8.230 nan 0.000 0.406 541 V N 3.792 123.572 119.914 -0.223 0.000 2.555 541 V HA 0.704 4.827 4.120 0.005 0.000 0.302 541 V C 0.085 176.042 176.094 -0.228 0.000 1.038 541 V CA -0.525 61.642 62.300 -0.222 0.000 0.887 541 V CB 1.787 33.546 31.823 -0.107 0.000 0.991 541 V HN 0.840 nan 8.190 nan 0.000 0.434 542 A N 3.286 125.934 122.820 -0.286 0.000 2.260 542 A HA 0.728 5.051 4.320 0.005 0.000 0.312 542 A C 0.785 178.043 177.584 -0.542 0.000 1.321 542 A CA 0.218 51.962 52.037 -0.488 0.000 0.928 542 A CB 0.834 19.473 19.000 -0.602 0.000 1.158 542 A HN 1.269 nan 8.150 nan 0.000 0.542 543 A N 2.361 124.929 122.820 -0.420 0.000 2.348 543 A HA 0.474 4.798 4.320 0.005 0.000 0.224 543 A C 0.670 178.232 177.584 -0.038 0.000 1.227 543 A CA 0.324 52.265 52.037 -0.161 0.000 0.885 543 A CB -0.779 18.212 19.000 -0.016 0.000 0.933 543 A HN 1.206 nan 8.150 nan 0.000 0.506 544 W N -1.592 119.768 121.300 0.099 0.000 2.152 544 W HA -0.304 4.359 4.660 0.006 0.000 0.285 544 W C 0.173 176.731 176.519 0.066 0.000 1.275 544 W CA 0.791 58.186 57.345 0.083 0.000 1.220 544 W CB -1.345 28.172 29.460 0.095 0.000 0.889 544 W HN 0.086 nan 8.180 nan 0.000 0.529 545 L N 2.432 123.867 121.223 0.353 0.000 2.457 545 L HA 0.227 4.570 4.340 0.005 0.000 0.252 545 L C -1.310 175.687 176.870 0.211 0.000 1.132 545 L CA -1.628 53.341 54.840 0.215 0.000 0.938 545 L CB 0.978 43.142 42.059 0.175 0.000 1.246 545 L HN 0.020 nan 8.230 nan 0.000 0.476 546 P HA -0.132 nan 4.420 nan 0.000 0.218 546 P C 0.875 178.218 177.300 0.072 0.000 1.146 546 P CA 1.515 64.694 63.100 0.131 0.000 0.813 546 P CB 0.666 32.430 31.700 0.106 0.000 0.778 547 G N -0.127 108.706 108.800 0.054 0.000 2.512 547 G HA2 -0.221 3.742 3.960 0.005 0.000 0.210 547 G HA3 -0.221 3.742 3.960 0.005 0.000 0.210 547 G C 0.870 175.732 174.900 -0.062 0.000 1.295 547 G CA 0.358 45.444 45.100 -0.025 0.000 0.934 547 G HN 0.292 nan 8.290 nan 0.000 0.554 548 S N -0.484 115.133 115.700 -0.139 0.000 2.461 548 S HA 0.143 4.617 4.470 0.005 0.000 0.228 548 S C 0.679 175.210 174.600 -0.115 0.000 1.005 548 S CA 1.742 59.860 58.200 -0.137 0.000 0.942 548 S CB 0.165 63.248 63.200 -0.195 0.000 0.776 548 S HN 0.600 nan 8.310 nan 0.000 0.514 549 E N 2.032 122.162 120.200 -0.117 0.000 2.026 549 E HA 0.358 4.711 4.350 0.005 0.000 0.253 549 E C 1.060 177.634 176.600 -0.044 0.000 1.056 549 E CA -0.164 56.183 56.400 -0.089 0.000 0.927 549 E CB 0.197 29.832 29.700 -0.109 0.000 1.172 549 E HN 0.463 nan 8.360 nan 0.000 0.445 550 G N 1.893 110.676 108.800 -0.028 0.000 2.479 550 G HA2 -0.301 3.662 3.960 0.005 0.000 0.220 550 G HA3 -0.301 3.662 3.960 0.005 0.000 0.220 550 G C 1.196 176.104 174.900 0.014 0.000 1.115 550 G CA 0.323 45.424 45.100 0.001 0.000 0.757 550 G HN 0.380 nan 8.290 nan 0.000 0.560 551 Q N 0.049 119.852 119.800 0.004 0.000 2.437 551 Q HA 0.012 4.355 4.340 0.005 0.000 0.210 551 Q C 2.664 178.673 176.000 0.016 0.000 0.972 551 Q CA 0.548 56.365 55.803 0.023 0.000 0.903 551 Q CB -0.124 28.621 28.738 0.012 0.000 0.967 551 Q HN 0.468 nan 8.270 nan 0.000 0.486 552 G N 0.183 108.978 108.800 -0.009 0.000 2.422 552 G HA2 -0.177 3.786 3.960 0.005 0.000 0.218 552 G HA3 -0.177 3.786 3.960 0.005 0.000 0.218 552 G C 1.449 176.337 174.900 -0.021 0.000 1.140 552 G CA 0.525 45.604 45.100 -0.035 0.000 0.775 552 G HN 0.205 nan 8.290 nan 0.000 0.545 553 V N 1.658 121.582 119.914 0.016 0.000 2.323 553 V HA -0.153 3.971 4.120 0.005 0.000 0.244 553 V C 3.294 179.409 176.094 0.034 0.000 1.041 553 V CA 2.354 64.672 62.300 0.030 0.000 1.025 553 V CB -0.922 30.933 31.823 0.054 0.000 0.656 553 V HN 0.619 nan 8.190 nan 0.000 0.451 554 T N -2.758 111.850 114.554 0.090 0.000 2.995 554 T HA -0.170 4.183 4.350 0.005 0.000 0.269 554 T C 1.484 176.311 174.700 0.213 0.000 1.091 554 T CA 1.268 63.485 62.100 0.195 0.000 1.128 554 T CB -0.396 68.668 68.868 0.327 0.000 0.891 554 T HN 0.366 nan 8.240 nan 0.000 0.492 555 D N 1.950 122.423 120.400 0.122 0.000 2.178 555 D HA 0.051 4.694 4.640 0.005 0.000 0.201 555 D C 2.275 178.637 176.300 0.103 0.000 0.980 555 D CA 1.419 55.514 54.000 0.159 0.000 0.842 555 D CB -0.366 40.502 40.800 0.113 0.000 0.948 555 D HN 0.618 nan 8.370 nan 0.000 0.472 556 A N -0.048 122.715 122.820 -0.094 0.000 2.030 556 A HA 0.084 4.408 4.320 0.005 0.000 0.215 556 A C 2.278 179.692 177.584 -0.284 0.000 1.164 556 A CA 0.137 51.941 52.037 -0.390 0.000 0.697 556 A CB -0.322 18.127 19.000 -0.917 0.000 0.827 556 A HN 0.146 nan 8.150 nan 0.000 0.457 557 L N -1.894 119.254 121.223 -0.124 0.000 2.109 557 L HA -0.043 4.301 4.340 0.005 0.000 0.207 557 L C 1.513 178.175 176.870 -0.346 0.000 1.086 557 L CA 1.100 55.832 54.840 -0.180 0.000 0.760 557 L CB -0.320 41.536 42.059 -0.339 0.000 0.910 557 L HN 0.423 nan 8.230 nan 0.000 0.437 558 F N -0.577 119.389 119.950 0.025 0.000 2.660 558 F HA 0.255 4.785 4.527 0.005 0.000 0.302 558 F C 1.610 177.416 175.800 0.010 0.000 1.103 558 F CA 0.420 58.432 58.000 0.019 0.000 1.340 558 F CB 0.294 39.314 39.000 0.034 0.000 1.048 558 F HN 0.141 nan 8.300 nan 0.000 0.551 559 G N 0.202 109.064 108.800 0.104 0.000 2.159 559 G HA2 -0.325 3.639 3.960 0.005 0.000 0.256 559 G HA3 -0.325 3.639 3.960 0.005 0.000 0.256 559 G C 0.858 175.771 174.900 0.022 0.000 0.977 559 G CA 0.562 45.698 45.100 0.059 0.000 0.652 559 G HN 0.310 nan 8.290 nan 0.000 0.531 560 D N -0.627 119.805 120.400 0.054 0.000 2.178 560 D HA 0.158 4.801 4.640 0.005 0.000 0.202 560 D C 0.797 176.885 176.300 -0.354 0.000 0.974 560 D CA 1.117 55.066 54.000 -0.086 0.000 0.841 560 D CB 0.007 40.846 40.800 0.065 0.000 0.953 560 D HN 0.469 nan 8.370 nan 0.000 0.478 561 F N -1.236 118.679 119.950 -0.059 0.000 2.629 561 F HA 0.559 5.090 4.527 0.005 0.000 0.316 561 F C 0.905 176.627 175.800 -0.130 0.000 1.081 561 F CA -1.290 56.662 58.000 -0.079 0.000 0.954 561 F CB 1.566 40.512 39.000 -0.091 0.000 1.337 561 F HN -0.292 nan 8.300 nan 0.000 0.474 562 G N 0.068 108.927 108.800 0.098 0.000 2.477 562 G HA2 0.521 4.484 3.960 0.005 0.000 0.304 562 G HA3 0.521 4.484 3.960 0.005 0.000 0.304 562 G C -1.442 173.444 174.900 -0.024 0.000 1.175 562 G CA -0.478 44.645 45.100 0.039 0.000 0.907 562 G HN 0.332 nan 8.290 nan 0.000 0.509 563 F N 0.089 120.062 119.950 0.038 0.000 2.456 563 F HA 0.339 4.869 4.527 0.006 0.000 0.358 563 F C 1.701 177.511 175.800 0.016 0.000 1.095 563 F CA 0.469 58.480 58.000 0.020 0.000 1.216 563 F CB 1.848 40.839 39.000 -0.016 0.000 1.125 563 F HN 0.505 nan 8.300 nan 0.000 0.549 564 T N -1.247 113.412 114.554 0.176 0.000 3.009 564 T HA 0.272 4.625 4.350 0.005 0.000 0.267 564 T C 0.827 175.593 174.700 0.109 0.000 0.942 564 T CA 0.062 62.230 62.100 0.113 0.000 0.883 564 T CB -0.319 68.596 68.868 0.077 0.000 1.192 564 T HN 0.663 nan 8.240 nan 0.000 0.524 565 G N 1.562 110.453 108.800 0.153 0.000 2.554 565 G HA2 0.536 4.499 3.960 0.005 0.000 0.238 565 G HA3 0.536 4.499 3.960 0.005 0.000 0.238 565 G C -0.587 174.394 174.900 0.135 0.000 1.259 565 G CA -0.657 44.538 45.100 0.160 0.000 0.843 565 G HN 0.487 nan 8.290 nan 0.000 0.582 566 R N 0.715 121.299 120.500 0.140 0.000 2.673 566 R HA 0.268 4.612 4.340 0.005 0.000 0.281 566 R C -0.490 175.928 176.300 0.195 0.000 0.991 566 R CA -1.039 55.139 56.100 0.130 0.000 0.896 566 R CB 2.084 32.435 30.300 0.086 0.000 1.201 566 R HN 0.387 nan 8.270 nan 0.000 0.457 567 L N 4.198 125.577 121.223 0.259 0.000 2.640 567 L HA -0.014 4.329 4.340 0.005 0.000 0.280 567 L C -1.203 175.786 176.870 0.199 0.000 1.229 567 L CA -0.461 54.575 54.840 0.328 0.000 0.919 567 L CB 0.327 42.631 42.059 0.408 0.000 1.168 567 L HN 0.440 nan 8.230 nan 0.000 0.496 568 P HA 0.079 nan 4.420 nan 0.000 0.257 568 P C 0.029 177.359 177.300 0.049 0.000 1.241 568 P CA 0.519 63.632 63.100 0.021 0.000 0.816 568 P CB 0.729 32.360 31.700 -0.114 0.000 1.150 569 R N -1.404 119.159 120.500 0.106 0.000 2.888 569 R HA 0.549 4.892 4.340 0.005 0.000 0.264 569 R C -0.395 176.042 176.300 0.229 0.000 1.045 569 R CA -0.635 55.546 56.100 0.135 0.000 0.962 569 R CB 0.795 31.148 30.300 0.088 0.000 1.210 569 R HN -0.275 nan 8.270 nan 0.000 0.479 570 T N 1.075 115.772 114.554 0.238 0.000 2.856 570 T HA 0.134 4.487 4.350 0.005 0.000 0.292 570 T C -0.978 173.881 174.700 0.264 0.000 0.980 570 T CA -0.091 62.193 62.100 0.306 0.000 1.091 570 T CB 0.550 69.640 68.868 0.371 0.000 0.936 570 T HN 0.227 nan 8.240 nan 0.000 0.503 571 W N 6.983 128.362 121.300 0.132 0.000 2.291 571 W HA 0.370 5.033 4.660 0.005 0.000 0.312 571 W C -0.811 175.642 176.519 -0.110 0.000 1.061 571 W CA -2.226 55.110 57.345 -0.015 0.000 1.296 571 W CB 0.114 29.636 29.460 0.102 0.000 1.223 571 W HN 0.629 nan 8.180 nan 0.000 0.421 572 F N 3.381 123.461 119.950 0.216 0.000 2.440 572 F HA 0.349 4.879 4.527 0.005 0.000 0.323 572 F C 1.161 177.059 175.800 0.164 0.000 1.192 572 F CA -0.456 57.617 58.000 0.121 0.000 1.252 572 F CB 0.510 39.539 39.000 0.048 0.000 1.214 572 F HN 0.249 nan 8.300 nan 0.000 0.578 573 K N 0.077 120.664 120.400 0.311 0.000 2.166 573 K HA 0.123 4.447 4.320 0.005 0.000 0.201 573 K C -0.056 176.733 176.600 0.314 0.000 1.052 573 K CA 1.104 57.499 56.287 0.181 0.000 0.969 573 K CB 0.020 32.549 32.500 0.048 0.000 0.761 573 K HN 0.830 nan 8.250 nan 0.000 0.459 574 S N -1.250 114.681 115.700 0.384 0.000 2.565 574 S HA 0.139 4.612 4.470 0.005 0.000 0.269 574 S C 0.775 175.361 174.600 -0.024 0.000 1.153 574 S CA -0.655 57.693 58.200 0.246 0.000 0.835 574 S CB 1.485 64.748 63.200 0.106 0.000 1.122 574 S HN -0.076 nan 8.310 nan 0.000 0.462 575 V N -1.199 118.600 119.914 -0.192 0.000 2.720 575 V HA -0.064 4.060 4.120 0.005 0.000 0.256 575 V C 1.299 177.269 176.094 -0.207 0.000 1.082 575 V CA 2.023 64.087 62.300 -0.394 0.000 1.101 575 V CB -1.608 30.049 31.823 -0.277 0.000 0.693 575 V HN 0.929 nan 8.190 nan 0.000 0.479 576 D N -0.315 120.031 120.400 -0.090 0.000 2.363 576 D HA -0.071 4.572 4.640 0.005 0.000 0.226 576 D C 1.875 178.176 176.300 0.001 0.000 1.020 576 D CA 0.501 54.477 54.000 -0.041 0.000 0.892 576 D CB -0.349 40.442 40.800 -0.015 0.000 0.900 576 D HN 0.546 nan 8.370 nan 0.000 0.531 577 Q N -0.094 119.705 119.800 -0.001 0.000 2.424 577 Q HA 0.171 4.515 4.340 0.005 0.000 0.204 577 Q C 0.299 176.371 176.000 0.121 0.000 0.933 577 Q CA 0.061 55.915 55.803 0.085 0.000 0.929 577 Q CB 0.467 29.238 28.738 0.054 0.000 1.037 577 Q HN 0.400 nan 8.270 nan 0.000 0.511 578 L N 3.156 124.377 121.223 -0.003 0.000 2.397 578 L HA 0.252 4.595 4.340 0.005 0.000 0.271 578 L C -1.856 175.038 176.870 0.040 0.000 1.148 578 L CA -1.795 53.045 54.840 -0.001 0.000 0.825 578 L CB -0.011 41.967 42.059 -0.136 0.000 1.117 578 L HN -0.022 nan 8.230 nan 0.000 0.456 579 P HA 0.231 nan 4.420 nan 0.000 0.278 579 P C -1.098 176.323 177.300 0.202 0.000 1.238 579 P CA -0.515 62.645 63.100 0.099 0.000 0.794 579 P CB 1.673 33.419 31.700 0.077 0.000 0.955 580 M N 2.757 122.455 119.600 0.163 0.000 2.164 580 M HA 0.300 4.784 4.480 0.005 0.000 0.260 580 M C -1.841 174.583 176.300 0.206 0.000 0.974 580 M CA -0.299 55.091 55.300 0.150 0.000 1.020 580 M CB 0.909 33.510 32.600 0.001 0.000 1.903 580 M HN 0.232 nan 8.290 nan 0.000 0.469 581 N N 1.664 120.459 118.700 0.159 0.000 2.328 581 N HA 0.595 5.338 4.740 0.005 0.000 0.299 581 N C -0.909 174.476 175.510 -0.209 0.000 1.179 581 N CA -0.720 52.374 53.050 0.073 0.000 0.793 581 N CB 2.072 40.580 38.487 0.034 0.000 1.366 581 N HN 0.422 nan 8.380 nan 0.000 0.493 582 V N -0.231 119.463 119.914 -0.366 0.000 2.506 582 V HA 0.380 4.503 4.120 0.005 0.000 0.296 582 V C 1.320 177.151 176.094 -0.438 0.000 1.004 582 V CA 0.864 62.724 62.300 -0.734 0.000 1.150 582 V CB -0.579 31.043 31.823 -0.336 0.000 0.911 582 V HN 1.014 nan 8.190 nan 0.000 0.476 583 G N 2.855 111.369 108.800 -0.477 0.000 2.796 583 G HA2 -0.172 3.791 3.960 0.005 0.000 0.198 583 G HA3 -0.172 3.791 3.960 0.005 0.000 0.198 583 G C -0.040 174.801 174.900 -0.098 0.000 1.062 583 G CA -0.038 44.942 45.100 -0.200 0.000 0.752 583 G HN 0.757 nan 8.290 nan 0.000 0.487 584 D N 0.772 121.134 120.400 -0.063 0.000 2.341 584 D HA 0.452 5.095 4.640 0.005 0.000 0.235 584 D C 1.615 178.007 176.300 0.153 0.000 1.265 584 D CA 0.709 54.773 54.000 0.106 0.000 0.888 584 D CB 0.498 41.452 40.800 0.257 0.000 1.192 584 D HN 0.554 nan 8.370 nan 0.000 0.462 585 A N 0.321 123.271 122.820 0.217 0.000 1.911 585 A HA -0.103 4.220 4.320 0.005 0.000 0.212 585 A C 1.348 179.081 177.584 0.249 0.000 1.189 585 A CA 1.087 53.234 52.037 0.182 0.000 0.639 585 A CB -0.877 18.197 19.000 0.123 0.000 0.839 585 A HN 0.786 nan 8.150 nan 0.000 0.449 586 H N -3.692 115.440 119.070 0.102 0.000 2.669 586 H HA 0.236 4.795 4.556 0.005 0.000 0.297 586 H C -0.110 175.304 175.328 0.145 0.000 1.071 586 H CA -0.556 55.550 56.048 0.096 0.000 1.182 586 H CB -0.673 29.130 29.762 0.068 0.000 1.343 586 H HN 0.365 nan 8.280 nan 0.000 0.582 587 Y N 2.413 122.658 120.300 -0.092 0.000 2.730 587 Y HA 0.053 4.607 4.550 0.005 0.000 0.357 587 Y C -0.474 175.383 175.900 -0.071 0.000 1.167 587 Y CA -0.808 57.212 58.100 -0.134 0.000 1.579 587 Y CB -0.119 38.315 38.460 -0.043 0.000 1.262 587 Y HN 0.505 nan 8.280 nan 0.000 0.510 588 D N 8.307 128.491 120.400 -0.360 0.000 2.405 588 D HA 0.293 4.936 4.640 0.005 0.000 0.264 588 D C -3.110 172.989 176.300 -0.335 0.000 1.240 588 D CA -1.815 52.009 54.000 -0.293 0.000 0.893 588 D CB 1.139 41.861 40.800 -0.130 0.000 1.198 588 D HN 0.194 nan 8.370 nan 0.000 0.514 589 P HA 0.139 nan 4.420 nan 0.000 0.280 589 P C 0.466 177.608 177.300 -0.263 0.000 1.272 589 P CA -0.754 62.155 63.100 -0.319 0.000 0.819 589 P CB 1.925 33.385 31.700 -0.400 0.000 1.122 590 L N 0.505 121.589 121.223 -0.231 0.000 2.095 590 L HA 0.295 4.638 4.340 0.005 0.000 0.204 590 L C 0.205 176.564 176.870 -0.852 0.000 1.080 590 L CA 1.518 56.054 54.840 -0.506 0.000 0.759 590 L CB -0.600 41.183 42.059 -0.460 0.000 0.914 590 L HN 0.260 nan 8.230 nan 0.000 0.439 591 F N -0.055 119.779 119.950 -0.192 0.000 2.561 591 F HA 0.441 4.972 4.527 0.006 0.000 0.313 591 F C 0.068 175.841 175.800 -0.046 0.000 1.126 591 F CA -1.066 56.757 58.000 -0.295 0.000 0.918 591 F CB 1.105 39.882 39.000 -0.372 0.000 1.199 591 F HN -0.119 nan 8.300 nan 0.000 0.444 592 R N 2.689 123.295 120.500 0.176 0.000 2.528 592 R HA 0.618 4.961 4.340 0.005 0.000 0.271 592 R C -0.674 175.833 176.300 0.344 0.000 1.056 592 R CA -0.863 55.392 56.100 0.258 0.000 1.117 592 R CB 1.265 31.712 30.300 0.246 0.000 1.085 592 R HN 0.811 nan 8.270 nan 0.000 0.530 593 L N 1.913 123.341 121.223 0.341 0.000 2.540 593 L HA 0.110 4.453 4.340 0.005 0.000 0.276 593 L C 0.933 177.947 176.870 0.240 0.000 1.212 593 L CA 1.861 56.866 54.840 0.275 0.000 0.893 593 L CB 0.380 42.566 42.059 0.212 0.000 1.138 593 L HN 1.122 nan 8.230 nan 0.000 0.491 594 G N 2.522 111.456 108.800 0.223 0.000 2.213 594 G HA2 -0.352 3.611 3.960 0.005 0.000 0.236 594 G HA3 -0.352 3.611 3.960 0.005 0.000 0.236 594 G C -0.071 174.944 174.900 0.193 0.000 0.991 594 G CA 0.148 45.354 45.100 0.175 0.000 0.629 594 G HN 0.727 nan 8.290 nan 0.000 0.517 595 Y N 1.623 122.004 120.300 0.136 0.000 2.480 595 Y HA 0.434 4.987 4.550 0.005 0.000 0.338 595 Y C 0.648 176.581 175.900 0.055 0.000 1.220 595 Y CA 1.172 59.336 58.100 0.106 0.000 1.430 595 Y CB 1.181 39.733 38.460 0.153 0.000 1.311 595 Y HN 0.968 nan 8.280 nan 0.000 0.575 596 G N 6.299 114.604 108.800 -0.826 0.000 2.093 596 G HA2 0.272 4.236 3.960 0.005 0.000 0.298 596 G HA3 0.272 4.236 3.960 0.005 0.000 0.298 596 G C -1.921 172.659 174.900 -0.533 0.000 1.713 596 G CA -1.001 43.760 45.100 -0.565 0.000 0.907 596 G HN 0.798 nan 8.290 nan 0.000 0.702 597 L N 1.352 122.278 121.223 -0.496 0.000 2.466 597 L HA 0.768 5.111 4.340 0.005 0.000 0.257 597 L C 1.273 178.046 176.870 -0.161 0.000 1.189 597 L CA -0.462 54.195 54.840 -0.305 0.000 0.813 597 L CB 1.405 43.305 42.059 -0.266 0.000 1.118 597 L HN 0.765 nan 8.230 nan 0.000 0.471 598 T N -2.441 112.066 114.554 -0.079 0.000 2.864 598 T HA 0.820 5.173 4.350 0.005 0.000 0.289 598 T C -0.370 174.367 174.700 0.061 0.000 1.082 598 T CA -0.461 61.659 62.100 0.034 0.000 1.009 598 T CB 2.140 71.029 68.868 0.036 0.000 1.234 598 T HN 0.791 nan 8.240 nan 0.000 0.526 599 T N -1.274 113.366 114.554 0.144 0.000 2.754 599 T HA 0.659 5.012 4.350 0.005 0.000 0.296 599 T C -1.323 173.436 174.700 0.099 0.000 1.205 599 T CA -1.042 61.134 62.100 0.127 0.000 1.009 599 T CB 1.100 70.098 68.868 0.218 0.000 1.368 599 T HN 0.748 nan 8.240 nan 0.000 0.509 600 N N -0.460 118.280 118.700 0.067 0.000 2.292 600 N HA 0.696 5.439 4.740 0.005 0.000 0.303 600 N C -0.183 175.341 175.510 0.024 0.000 1.140 600 N CA -0.789 52.284 53.050 0.039 0.000 0.788 600 N CB 1.818 40.319 38.487 0.022 0.000 1.361 600 N HN 1.049 nan 8.380 nan 0.000 0.489 601 A N 0.793 123.610 122.820 -0.005 0.000 2.521 601 A HA 0.410 4.733 4.320 0.005 0.000 0.237 601 A C 0.170 177.736 177.584 -0.030 0.000 1.087 601 A CA 0.794 52.805 52.037 -0.044 0.000 0.777 601 A CB -0.543 18.387 19.000 -0.116 0.000 1.035 601 A HN 1.251 nan 8.150 nan 0.000 0.510 602 T N -1.510 113.022 114.554 -0.037 0.000 0.618 602 T HA -0.093 4.261 4.350 0.005 0.000 0.766 602 T C -0.231 174.480 174.700 0.019 0.000 0.991 602 T CA 0.677 62.769 62.100 -0.013 0.000 4.037 602 T CB -2.002 66.855 68.868 -0.019 0.000 2.281 602 T HN 1.994 nan 8.240 nan 0.000 0.395 603 K N 0.000 120.427 120.400 0.045 0.000 2.780 603 K HA 0.000 4.323 4.320 0.005 0.000 0.191 603 K CA 0.000 56.329 56.287 0.070 0.000 0.838 603 K CB 0.000 32.574 32.500 0.124 0.000 1.064 603 K HN 0.000 nan 8.250 nan 0.000 0.543