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 3loy_1_C DATA FIRST_RESID 2 DATA SEQUENCE VHPYDPISDA ELQLTSQLIK DATKGPERPH FIQIDRLDPP KKDMIRYLEA DATA SEQUENCE ERTGKPLPHI SRMTYVYYYI GLDFYKALVN VSYGHIITNQ KQPKGVIGPL DATA SEQUENCE IAEDIQEIEE LATTHPIVKA EIEKLKLPPH VRVVCDPWMN GTDSKEDRML DATA SEQUENCE IQCYMYLASA AHPESNHYSL PLKFSPVFEC LTKKFVRMDY LPGGADETVT DATA SEQUENCE ETQAWDEFPF VEYHPDLNGE TIVPLKPLIV QQPEGPSFNV DGHKISWQGW DATA SEQUENCE EFFVIPTVRE GFAIYDIHFK GRSVVYRLSL SEMTVPYGDP RAPFHRKQAF DATA SEQUENCE DLGDCGFGAT GNSLALGCDc LGVIKYMDCR RVNTNGDSVL IPNTVcLHEQ DATA SEQUENCE DGGLLYKHTN YRTNVPVIAR RREFVVQTIA TVANXEYMLN IIFDQAGEIR DATA SEQUENCE IHVRATGILS TMPLDKDVTV PWGTNVGPRV MAAYHQHMLS FRIDPAVDGY DATA SEQUENCE ENTVVFDDVI RMEKNTKLNP YNVGFVTERT VVEKPGYVEQ SPFTNRSYKI DATA SEQUENCE INENKINPIS KKPVAYKIMM PARQMLLADE DSYNNKRAQF ATQQVWVTKY DATA SEQUENCE RDNELYAAGE FTNQSQTDTG LGVWARRDEN VRNDNPVVWA TLGFTHIPRV DATA SEQUENCE EDFPVMPVEA HEIALVPFGF FDKNPALSVP QST VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.110 176.094 0.027 0.000 1.182 2 V CA 0.000 62.318 62.300 0.030 0.000 1.235 2 V CB 0.000 31.805 31.823 -0.030 0.000 1.184 3 H N 7.109 126.168 119.070 -0.018 0.000 2.652 3 H HA 0.372 4.928 4.556 -0.000 0.000 0.349 3 H C -1.688 173.470 175.328 -0.283 0.000 1.099 3 H CA -1.063 54.926 56.048 -0.098 0.000 1.417 3 H CB 2.061 31.829 29.762 0.009 0.000 1.457 3 H HN 0.370 nan 8.280 nan 0.000 0.568 4 P HA -0.194 nan 4.420 nan 0.000 0.217 4 P C 0.460 177.523 177.300 -0.395 0.000 1.148 4 P CA 1.592 64.275 63.100 -0.695 0.000 0.828 4 P CB 0.001 31.056 31.700 -1.074 0.000 0.783 5 Y N -1.066 119.094 120.300 -0.232 0.000 2.544 5 Y HA -0.008 4.542 4.550 -0.000 0.000 0.286 5 Y C 0.762 176.491 175.900 -0.286 0.000 1.141 5 Y CA -0.819 57.033 58.100 -0.413 0.000 1.299 5 Y CB -0.346 37.666 38.460 -0.747 0.000 1.030 5 Y HN -0.097 nan 8.280 nan 0.000 0.543 6 D N 2.422 122.813 120.400 -0.016 0.000 2.548 6 D HA -0.053 4.587 4.640 -0.000 0.000 0.231 6 D C -2.089 174.134 176.300 -0.128 0.000 1.142 6 D CA -0.979 52.958 54.000 -0.105 0.000 0.866 6 D CB 0.274 41.075 40.800 0.002 0.000 1.190 6 D HN 0.087 nan 8.370 nan 0.000 0.469 7 P HA 0.031 nan 4.420 nan 0.000 0.271 7 P C 0.382 177.662 177.300 -0.034 0.000 1.233 7 P CA -0.423 62.631 63.100 -0.077 0.000 0.789 7 P CB 0.751 32.415 31.700 -0.060 0.000 0.951 8 I N 1.119 121.679 120.570 -0.018 0.000 2.815 8 I HA -0.060 4.110 4.170 -0.000 0.000 0.291 8 I C 0.943 177.048 176.117 -0.020 0.000 1.209 8 I CA 0.473 61.754 61.300 -0.033 0.000 1.431 8 I CB 0.541 38.507 38.000 -0.057 0.000 1.351 8 I HN 0.472 nan 8.210 nan 0.000 0.585 9 S N 4.530 120.214 115.700 -0.027 0.000 2.713 9 S HA 0.261 4.731 4.470 -0.000 0.000 0.283 9 S C 0.688 175.269 174.600 -0.031 0.000 1.161 9 S CA -0.769 57.423 58.200 -0.014 0.000 0.999 9 S CB 1.537 64.729 63.200 -0.012 0.000 1.039 9 S HN 0.659 nan 8.310 nan 0.000 0.548 10 D N 1.296 121.682 120.400 -0.023 0.000 2.123 10 D HA -0.088 4.552 4.640 -0.000 0.000 0.196 10 D C 2.190 178.458 176.300 -0.052 0.000 0.992 10 D CA 1.903 55.881 54.000 -0.037 0.000 0.833 10 D CB -0.840 39.944 40.800 -0.027 0.000 0.954 10 D HN 0.705 nan 8.370 nan 0.000 0.455 11 A N 1.020 123.814 122.820 -0.044 0.000 1.902 11 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 11 A C 2.073 179.616 177.584 -0.067 0.000 1.181 11 A CA 1.472 53.477 52.037 -0.052 0.000 0.623 11 A CB -0.507 18.468 19.000 -0.041 0.000 0.818 11 A HN 0.221 nan 8.150 nan 0.000 0.443 12 E N -0.563 119.595 120.200 -0.068 0.000 2.150 12 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 12 E C 1.968 178.505 176.600 -0.105 0.000 0.985 12 E CA 0.980 57.330 56.400 -0.083 0.000 0.814 12 E CB -0.215 29.438 29.700 -0.079 0.000 0.752 12 E HN 0.644 nan 8.360 nan 0.000 0.466 13 L N 0.800 121.958 121.223 -0.108 0.000 2.027 13 L HA -0.222 4.118 4.340 -0.000 0.000 0.206 13 L C 2.305 179.072 176.870 -0.171 0.000 1.074 13 L CA 1.440 56.195 54.840 -0.141 0.000 0.745 13 L CB 0.015 42.000 42.059 -0.123 0.000 0.898 13 L HN 0.078 nan 8.230 nan 0.000 0.433 14 Q N -0.733 118.980 119.800 -0.145 0.000 2.167 14 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 14 Q C 2.126 178.037 176.000 -0.149 0.000 0.970 14 Q CA 1.494 57.201 55.803 -0.160 0.000 0.855 14 Q CB -0.160 28.507 28.738 -0.118 0.000 0.911 14 Q HN 0.448 nan 8.270 nan 0.000 0.438 15 L N 0.267 121.422 121.223 -0.114 0.000 2.046 15 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 15 L C 2.013 178.820 176.870 -0.105 0.000 1.077 15 L CA 1.913 56.697 54.840 -0.093 0.000 0.747 15 L CB -0.720 41.295 42.059 -0.074 0.000 0.896 15 L HN 0.090 nan 8.230 nan 0.000 0.432 16 T N -0.735 113.743 114.554 -0.127 0.000 2.708 16 T HA -0.163 4.187 4.350 -0.000 0.000 0.266 16 T C 2.022 176.626 174.700 -0.160 0.000 1.037 16 T CA 1.710 63.739 62.100 -0.120 0.000 1.146 16 T CB -0.474 68.315 68.868 -0.133 0.000 0.865 16 T HN 0.691 nan 8.240 nan 0.000 0.435 17 S N 1.432 116.952 115.700 -0.300 0.000 2.371 17 S HA -0.141 4.329 4.470 -0.000 0.000 0.224 17 S C 2.140 176.582 174.600 -0.262 0.000 1.029 17 S CA 1.108 58.973 58.200 -0.558 0.000 0.978 17 S CB -0.517 62.038 63.200 -1.075 0.000 0.833 17 S HN 0.312 nan 8.310 nan 0.000 0.466 18 Q N 1.651 121.340 119.800 -0.186 0.000 2.061 18 Q HA 0.007 4.347 4.340 -0.000 0.000 0.204 18 Q C 2.047 178.018 176.000 -0.048 0.000 0.984 18 Q CA 1.815 57.563 55.803 -0.091 0.000 0.846 18 Q CB -0.905 27.787 28.738 -0.076 0.000 0.902 18 Q HN 0.679 nan 8.270 nan 0.000 0.421 19 L N -0.441 120.754 121.223 -0.047 0.000 2.043 19 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 19 L C 2.146 179.004 176.870 -0.020 0.000 1.075 19 L CA 0.730 55.559 54.840 -0.019 0.000 0.752 19 L CB -0.560 41.494 42.059 -0.008 0.000 0.891 19 L HN 0.313 nan 8.230 nan 0.000 0.432 20 I N -0.029 120.521 120.570 -0.033 0.000 2.315 20 I HA -0.226 3.944 4.170 -0.000 0.000 0.248 20 I C 2.452 178.532 176.117 -0.061 0.000 1.117 20 I CA 1.437 62.680 61.300 -0.095 0.000 1.404 20 I CB -0.869 37.021 38.000 -0.184 0.000 1.071 20 I HN 0.246 nan 8.210 nan 0.000 0.419 21 K N 0.467 120.887 120.400 0.033 0.000 2.057 21 K HA -0.193 4.127 4.320 -0.000 0.000 0.207 21 K C 1.653 178.255 176.600 0.004 0.000 1.049 21 K CA 1.551 57.861 56.287 0.040 0.000 0.931 21 K CB -0.112 32.425 32.500 0.062 0.000 0.714 21 K HN 0.252 nan 8.250 nan 0.000 0.440 22 D N 0.370 120.770 120.400 -0.001 0.000 2.178 22 D HA -0.102 4.538 4.640 -0.000 0.000 0.202 22 D C 1.576 177.876 176.300 -0.000 0.000 0.974 22 D CA 1.087 55.088 54.000 0.002 0.000 0.841 22 D CB -0.032 40.770 40.800 0.004 0.000 0.953 22 D HN 0.223 nan 8.370 nan 0.000 0.478 23 A N -0.152 122.663 122.820 -0.009 0.000 2.178 23 A HA 0.058 4.378 4.320 -0.000 0.000 0.211 23 A C 1.024 178.597 177.584 -0.018 0.000 1.157 23 A CA 0.354 52.387 52.037 -0.006 0.000 0.780 23 A CB 0.029 19.029 19.000 -0.001 0.000 0.828 23 A HN 0.043 nan 8.150 nan 0.000 0.476 24 T N 1.706 116.241 114.554 -0.032 0.000 2.727 24 T HA 0.401 4.751 4.350 -0.000 0.000 0.298 24 T C -0.365 174.329 174.700 -0.009 0.000 0.942 24 T CA -0.073 62.005 62.100 -0.036 0.000 0.997 24 T CB 0.718 69.549 68.868 -0.063 0.000 0.917 24 T HN 0.204 nan 8.240 nan 0.000 0.487 25 K N 2.124 122.523 120.400 -0.002 0.000 2.130 25 K HA 0.757 5.077 4.320 -0.000 0.000 0.268 25 K C 0.640 177.248 176.600 0.015 0.000 0.983 25 K CA -0.038 56.255 56.287 0.009 0.000 0.893 25 K CB 1.577 34.085 32.500 0.013 0.000 1.066 25 K HN 0.864 nan 8.250 nan 0.000 0.450 26 G N 1.942 110.753 108.800 0.018 0.000 2.408 26 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.682 26 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.682 26 G C -2.157 172.759 174.900 0.026 0.000 1.303 26 G CA -0.672 44.442 45.100 0.023 0.000 0.966 26 G HN 0.460 nan 8.290 nan 0.000 0.560 27 P HA 0.146 nan 4.420 nan 0.000 0.234 27 P C 0.483 177.806 177.300 0.038 0.000 1.175 27 P CA 0.603 63.722 63.100 0.031 0.000 0.801 27 P CB 0.390 32.107 31.700 0.028 0.000 0.891 28 E N 1.579 121.804 120.200 0.041 0.000 2.029 28 E HA 0.064 4.414 4.350 -0.000 0.000 0.276 28 E C -0.116 176.518 176.600 0.056 0.000 1.163 28 E CA -0.445 55.987 56.400 0.052 0.000 0.909 28 E CB 0.223 29.956 29.700 0.055 0.000 1.046 28 E HN -0.051 nan 8.360 nan 0.000 0.406 29 R N 4.231 124.771 120.500 0.066 0.000 2.441 29 R HA 0.271 4.611 4.340 -0.000 0.000 0.284 29 R C -2.311 174.032 176.300 0.073 0.000 1.070 29 R CA -2.819 53.321 56.100 0.067 0.000 1.047 29 R CB -0.416 29.933 30.300 0.082 0.000 1.016 29 R HN 0.397 nan 8.270 nan 0.000 0.477 30 P HA -0.031 nan 4.420 nan 0.000 0.265 30 P C -0.377 176.840 177.300 -0.138 0.000 1.193 30 P CA 0.438 63.459 63.100 -0.131 0.000 0.765 30 P CB 0.324 31.689 31.700 -0.558 0.000 0.823 31 H N 4.414 123.419 119.070 -0.109 0.000 2.581 31 H HA 0.302 4.858 4.556 -0.000 0.000 0.308 31 H C -0.801 174.542 175.328 0.025 0.000 1.040 31 H CA -0.626 55.442 56.048 0.033 0.000 1.231 31 H CB 0.013 29.864 29.762 0.149 0.000 1.396 31 H HN 0.191 nan 8.280 nan 0.000 0.467 32 F N 5.146 125.120 119.950 0.041 0.000 2.384 32 F HA 0.097 4.624 4.527 -0.000 0.000 0.338 32 F C 1.316 177.229 175.800 0.189 0.000 1.103 32 F CA -0.400 57.699 58.000 0.165 0.000 1.157 32 F CB 0.988 40.023 39.000 0.058 0.000 1.167 32 F HN 0.501 nan 8.300 nan 0.000 0.529 33 I N 0.153 121.028 120.570 0.508 0.000 3.812 33 I HA 0.149 4.319 4.170 -0.000 0.000 0.292 33 I C -0.171 176.193 176.117 0.412 0.000 1.206 33 I CA 0.589 62.175 61.300 0.477 0.000 1.370 33 I CB 0.209 38.588 38.000 0.632 0.000 1.328 33 I HN 0.528 nan 8.210 nan 0.000 0.453 34 Q N 0.746 120.788 119.800 0.403 0.000 2.403 34 Q HA 0.566 4.906 4.340 -0.000 0.000 0.267 34 Q C -1.931 174.052 176.000 -0.029 0.000 0.991 34 Q CA -0.250 55.673 55.803 0.199 0.000 0.906 34 Q CB 3.165 32.066 28.738 0.272 0.000 1.422 34 Q HN 0.110 nan 8.270 nan 0.000 0.400 35 I N 2.240 122.698 120.570 -0.187 0.000 2.619 35 I HA 0.558 4.728 4.170 -0.000 0.000 0.292 35 I C -1.119 174.662 176.117 -0.560 0.000 1.100 35 I CA -0.645 60.375 61.300 -0.467 0.000 1.043 35 I CB 2.258 40.102 38.000 -0.259 0.000 1.239 35 I HN 0.592 nan 8.210 nan 0.000 0.420 36 D N 2.916 122.750 120.400 -0.943 0.000 2.639 36 D HA 0.346 4.986 4.640 -0.000 0.000 0.271 36 D C -1.264 174.833 176.300 -0.339 0.000 1.254 36 D CA -0.736 52.985 54.000 -0.465 0.000 0.810 36 D CB 1.996 42.712 40.800 -0.140 0.000 1.351 36 D HN 0.491 nan 8.370 nan 0.000 0.427 37 R N 0.937 121.396 120.500 -0.067 0.000 2.308 37 R HA 0.614 4.954 4.340 -0.000 0.000 0.305 37 R C -0.328 176.054 176.300 0.137 0.000 1.053 37 R CA -0.475 55.630 56.100 0.009 0.000 0.957 37 R CB 0.317 30.610 30.300 -0.011 0.000 1.022 37 R HN 0.261 nan 8.270 nan 0.000 0.461 38 L N 2.372 123.690 121.223 0.158 0.000 2.452 38 L HA 0.156 4.496 4.340 -0.000 0.000 0.267 38 L C 0.196 177.142 176.870 0.125 0.000 1.188 38 L CA -0.378 54.571 54.840 0.182 0.000 0.821 38 L CB 0.438 42.593 42.059 0.160 0.000 1.102 38 L HN 0.657 nan 8.230 nan 0.000 0.470 39 D N 2.798 123.291 120.400 0.156 0.000 2.449 39 D HA 0.074 4.714 4.640 -0.000 0.000 0.236 39 D C -2.019 174.344 176.300 0.105 0.000 1.149 39 D CA -0.695 53.411 54.000 0.177 0.000 0.878 39 D CB 0.263 41.227 40.800 0.274 0.000 1.198 39 D HN 0.266 nan 8.370 nan 0.000 0.446 40 P HA 0.149 nan 4.420 nan 0.000 0.269 40 P C -2.625 174.711 177.300 0.059 0.000 1.209 40 P CA -1.069 62.015 63.100 -0.026 0.000 0.776 40 P CB -0.228 31.350 31.700 -0.203 0.000 0.876 41 P HA 0.041 nan 4.420 nan 0.000 0.265 41 P C 1.009 178.338 177.300 0.050 0.000 1.193 41 P CA 0.104 63.245 63.100 0.069 0.000 0.765 41 P CB 0.441 32.165 31.700 0.040 0.000 0.823 42 K N 3.595 124.031 120.400 0.059 0.000 2.062 42 K HA -0.128 4.192 4.320 -0.000 0.000 0.205 42 K C 1.437 177.907 176.600 -0.217 0.000 1.051 42 K CA 1.230 57.447 56.287 -0.117 0.000 0.941 42 K CB -0.028 32.218 32.500 -0.422 0.000 0.719 42 K HN 0.207 nan 8.250 nan 0.000 0.440 43 K N 0.640 120.948 120.400 -0.154 0.000 2.063 43 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 43 K C 1.741 178.282 176.600 -0.099 0.000 1.048 43 K CA 1.843 58.042 56.287 -0.148 0.000 0.928 43 K CB -0.114 32.337 32.500 -0.082 0.000 0.713 43 K HN 0.264 nan 8.250 nan 0.000 0.442 44 D N 0.596 120.967 120.400 -0.049 0.000 2.117 44 D HA -0.147 4.493 4.640 -0.000 0.000 0.198 44 D C 1.853 178.150 176.300 -0.005 0.000 0.982 44 D CA 1.090 55.080 54.000 -0.017 0.000 0.828 44 D CB -0.092 40.705 40.800 -0.006 0.000 0.967 44 D HN 0.060 nan 8.370 nan 0.000 0.464 45 M N 0.596 120.173 119.600 -0.039 0.000 2.175 45 M HA -0.032 4.448 4.480 -0.000 0.000 0.264 45 M C 1.879 178.210 176.300 0.051 0.000 1.063 45 M CA 0.972 56.243 55.300 -0.049 0.000 1.119 45 M CB -0.296 32.273 32.600 -0.051 0.000 1.377 45 M HN -0.070 nan 8.290 nan 0.000 0.415 46 I N -0.622 119.930 120.570 -0.030 0.000 2.179 46 I HA -0.343 3.827 4.170 -0.000 0.000 0.242 46 I C 2.318 178.449 176.117 0.023 0.000 1.088 46 I CA 1.345 62.609 61.300 -0.060 0.000 1.357 46 I CB -0.428 37.342 38.000 -0.384 0.000 1.051 46 I HN 0.293 nan 8.210 nan 0.000 0.409 47 R N -0.432 120.071 120.500 0.005 0.000 2.096 47 R HA -0.212 4.128 4.340 -0.000 0.000 0.235 47 R C 2.358 178.694 176.300 0.059 0.000 1.127 47 R CA 1.612 57.729 56.100 0.027 0.000 0.968 47 R CB -0.560 29.748 30.300 0.013 0.000 0.861 47 R HN 0.370 nan 8.270 nan 0.000 0.440 48 Y N 1.578 121.848 120.300 -0.051 0.000 2.145 48 Y HA -0.214 4.336 4.550 -0.000 0.000 0.286 48 Y C 2.029 177.916 175.900 -0.021 0.000 1.145 48 Y CA 1.503 59.561 58.100 -0.070 0.000 1.148 48 Y CB -0.143 38.219 38.460 -0.163 0.000 0.981 48 Y HN -0.054 nan 8.280 nan 0.000 0.507 49 L N -0.017 121.377 121.223 0.286 0.000 2.042 49 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 49 L C 2.481 179.454 176.870 0.171 0.000 1.076 49 L CA 1.802 56.817 54.840 0.292 0.000 0.749 49 L CB -0.591 41.689 42.059 0.369 0.000 0.893 49 L HN 0.230 nan 8.230 nan 0.000 0.432 50 E N 0.523 120.802 120.200 0.132 0.000 2.077 50 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 50 E C 2.094 178.708 176.600 0.025 0.000 0.989 50 E CA 1.609 58.065 56.400 0.092 0.000 0.800 50 E CB -0.126 29.627 29.700 0.089 0.000 0.746 50 E HN 0.368 nan 8.360 nan 0.000 0.452 51 A N 0.475 123.273 122.820 -0.037 0.000 1.930 51 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 51 A C 2.203 179.718 177.584 -0.114 0.000 1.175 51 A CA 1.613 53.593 52.037 -0.096 0.000 0.627 51 A CB -0.630 18.268 19.000 -0.169 0.000 0.815 51 A HN 0.406 nan 8.150 nan 0.000 0.443 52 E N -0.590 119.530 120.200 -0.133 0.000 2.077 52 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 52 E C 2.338 178.945 176.600 0.012 0.000 0.989 52 E CA 0.989 57.349 56.400 -0.066 0.000 0.800 52 E CB -0.097 29.631 29.700 0.047 0.000 0.746 52 E HN 0.539 nan 8.360 nan 0.000 0.452 53 R N -0.243 120.278 120.500 0.036 0.000 2.066 53 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 53 R C 2.212 178.521 176.300 0.015 0.000 1.131 53 R CA 1.829 57.951 56.100 0.036 0.000 0.955 53 R CB -0.218 30.114 30.300 0.053 0.000 0.851 53 R HN 0.246 nan 8.270 nan 0.000 0.432 54 T N -3.405 111.154 114.554 0.007 0.000 3.129 54 T HA 0.166 4.516 4.350 -0.000 0.000 0.251 54 T C 1.157 175.850 174.700 -0.012 0.000 1.117 54 T CA 0.534 62.633 62.100 -0.000 0.000 1.034 54 T CB 0.609 69.479 68.868 0.003 0.000 0.968 54 T HN 0.421 nan 8.240 nan 0.000 0.526 55 G N 1.615 110.402 108.800 -0.021 0.000 2.153 55 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.252 55 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.252 55 G C 0.038 174.917 174.900 -0.035 0.000 0.994 55 G CA 0.258 45.342 45.100 -0.027 0.000 0.698 55 G HN 0.641 nan 8.290 nan 0.000 0.521 56 K N 0.434 120.807 120.400 -0.044 0.000 2.138 56 K HA 0.396 4.716 4.320 -0.000 0.000 0.251 56 K C -2.100 174.457 176.600 -0.071 0.000 1.015 56 K CA -1.583 54.675 56.287 -0.047 0.000 0.917 56 K CB 0.341 32.816 32.500 -0.041 0.000 1.021 56 K HN -0.002 nan 8.250 nan 0.000 0.485 57 P HA -0.027 nan 4.420 nan 0.000 0.264 57 P C -0.615 176.617 177.300 -0.113 0.000 1.183 57 P CA 0.282 63.344 63.100 -0.063 0.000 0.763 57 P CB 0.304 31.985 31.700 -0.032 0.000 0.807 58 L N 5.564 126.692 121.223 -0.158 0.000 2.410 58 L HA 0.218 4.558 4.340 -0.000 0.000 0.273 58 L C -1.541 175.265 176.870 -0.105 0.000 1.144 58 L CA -1.823 52.837 54.840 -0.298 0.000 0.863 58 L CB -0.247 41.596 42.059 -0.361 0.000 1.140 58 L HN 0.281 nan 8.230 nan 0.000 0.463 59 P HA -0.021 nan 4.420 nan 0.000 0.269 59 P C -0.507 176.893 177.300 0.166 0.000 1.209 59 P CA -0.166 62.978 63.100 0.074 0.000 0.776 59 P CB 0.361 32.112 31.700 0.085 0.000 0.876 60 H N 3.290 122.409 119.070 0.081 0.000 2.899 60 H HA 0.231 4.787 4.556 -0.000 0.000 0.303 60 H C -0.695 174.683 175.328 0.083 0.000 1.042 60 H CA 0.266 56.370 56.048 0.095 0.000 1.479 60 H CB -0.007 29.806 29.762 0.085 0.000 1.493 60 H HN 0.281 nan 8.280 nan 0.000 0.534 61 I N 4.596 124.938 120.570 -0.381 0.000 2.497 61 I HA 0.036 4.206 4.170 -0.000 0.000 0.284 61 I C 0.176 176.064 176.117 -0.381 0.000 1.060 61 I CA -0.586 60.543 61.300 -0.285 0.000 1.071 61 I CB 1.718 39.577 38.000 -0.236 0.000 1.216 61 I HN 0.444 nan 8.210 nan 0.000 0.442 62 S N 5.301 120.863 115.700 -0.229 0.000 2.560 62 S HA 0.242 4.712 4.470 -0.000 0.000 0.284 62 S C 0.333 174.869 174.600 -0.107 0.000 1.327 62 S CA -0.513 57.636 58.200 -0.085 0.000 1.055 62 S CB 0.346 63.628 63.200 0.137 0.000 0.868 62 S HN 0.366 nan 8.310 nan 0.000 0.506 63 R N 2.790 123.219 120.500 -0.117 0.000 2.370 63 R HA 0.245 4.585 4.340 -0.000 0.000 0.309 63 R C -0.253 176.008 176.300 -0.065 0.000 1.059 63 R CA 0.389 56.427 56.100 -0.104 0.000 0.981 63 R CB 0.046 30.276 30.300 -0.115 0.000 0.972 63 R HN 0.555 nan 8.270 nan 0.000 0.437 64 M N 1.829 121.404 119.600 -0.041 0.000 2.465 64 M HA 0.334 4.814 4.480 -0.000 0.000 0.316 64 M C 0.316 176.619 176.300 0.005 0.000 1.121 64 M CA -0.746 54.546 55.300 -0.013 0.000 0.934 64 M CB 2.149 34.761 32.600 0.020 0.000 1.692 64 M HN 0.509 nan 8.290 nan 0.000 0.444 65 T N -0.555 113.998 114.554 -0.002 0.000 2.930 65 T HA 0.805 5.155 4.350 -0.000 0.000 0.290 65 T C -0.848 173.888 174.700 0.060 0.000 1.052 65 T CA -0.678 61.404 62.100 -0.030 0.000 1.017 65 T CB 1.793 70.589 68.868 -0.120 0.000 1.137 65 T HN 0.616 nan 8.240 nan 0.000 0.511 66 Y N -0.451 119.850 120.300 0.000 0.000 2.587 66 Y HA 0.871 5.421 4.550 -0.000 0.000 0.337 66 Y C -0.906 174.985 175.900 -0.015 0.000 1.065 66 Y CA -1.749 56.361 58.100 0.017 0.000 1.126 66 Y CB 1.352 39.821 38.460 0.015 0.000 1.279 66 Y HN 0.690 nan 8.280 nan 0.000 0.489 67 V N 2.811 122.863 119.914 0.230 0.000 2.777 67 V HA 0.457 4.577 4.120 -0.000 0.000 0.306 67 V C -2.072 174.334 176.094 0.520 0.000 1.112 67 V CA -0.918 61.514 62.300 0.220 0.000 0.917 67 V CB 1.371 33.344 31.823 0.251 0.000 1.018 67 V HN 0.884 nan 8.190 nan 0.000 0.426 68 Y N 7.608 128.186 120.300 0.464 0.000 2.330 68 Y HA 0.753 5.303 4.550 -0.000 0.000 0.336 68 Y C -0.182 175.959 175.900 0.401 0.000 1.036 68 Y CA -0.771 57.525 58.100 0.328 0.000 1.125 68 Y CB 1.788 40.582 38.460 0.557 0.000 1.194 68 Y HN 0.844 nan 8.280 nan 0.000 0.469 69 Y N 0.231 120.606 120.300 0.125 0.000 2.641 69 Y HA 0.575 5.125 4.550 -0.000 0.000 0.333 69 Y C -2.409 173.496 175.900 0.009 0.000 1.174 69 Y CA -2.242 55.894 58.100 0.061 0.000 1.057 69 Y CB 0.849 39.124 38.460 -0.309 0.000 1.322 69 Y HN 0.466 nan 8.280 nan 0.000 0.457 70 Y N 2.039 122.496 120.300 0.261 0.000 2.446 70 Y HA 0.727 5.277 4.550 -0.000 0.000 0.338 70 Y C -0.375 175.642 175.900 0.195 0.000 1.055 70 Y CA -1.101 57.125 58.100 0.210 0.000 1.101 70 Y CB 2.095 40.672 38.460 0.194 0.000 1.221 70 Y HN 0.568 nan 8.280 nan 0.000 0.460 71 I N 2.982 123.753 120.570 0.334 0.000 2.390 71 I HA 0.428 4.598 4.170 -0.000 0.000 0.283 71 I C 0.719 176.966 176.117 0.217 0.000 1.016 71 I CA -0.274 61.160 61.300 0.223 0.000 1.151 71 I CB 0.818 38.889 38.000 0.120 0.000 1.293 71 I HN 0.928 nan 8.210 nan 0.000 0.458 72 G N 5.792 114.679 108.800 0.145 0.000 2.629 72 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.313 72 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.313 72 G C 0.561 175.515 174.900 0.090 0.000 1.217 72 G CA 0.444 45.593 45.100 0.082 0.000 0.994 72 G HN 0.555 nan 8.290 nan 0.000 0.549 73 L N 1.532 122.809 121.223 0.090 0.000 2.592 73 L HA 0.281 4.621 4.340 -0.000 0.000 0.227 73 L C 0.108 177.120 176.870 0.237 0.000 1.127 73 L CA -0.112 54.785 54.840 0.095 0.000 0.884 73 L CB -0.092 41.982 42.059 0.024 0.000 1.065 73 L HN 0.251 nan 8.230 nan 0.000 0.457 74 D N 0.672 121.221 120.400 0.248 0.000 2.264 74 D HA 0.184 4.824 4.640 -0.000 0.000 0.250 74 D C -0.742 175.632 176.300 0.122 0.000 1.113 74 D CA -0.017 54.064 54.000 0.134 0.000 0.871 74 D CB 1.627 42.490 40.800 0.104 0.000 1.167 74 D HN -0.097 nan 8.370 nan 0.000 0.447 75 F N 2.485 122.200 119.950 -0.393 0.000 2.404 75 F HA 0.361 4.888 4.527 -0.000 0.000 0.339 75 F C -0.916 174.370 175.800 -0.857 0.000 1.105 75 F CA -0.645 56.847 58.000 -0.847 0.000 1.087 75 F CB 0.709 39.182 39.000 -0.878 0.000 1.143 75 F HN 0.229 nan 8.300 nan 0.000 0.491 76 Y N 4.368 123.851 120.300 -1.361 0.000 2.485 76 Y HA 0.376 4.926 4.550 -0.000 0.000 0.345 76 Y C -0.625 174.623 175.900 -1.087 0.000 0.998 76 Y CA -0.985 56.419 58.100 -1.159 0.000 1.059 76 Y CB 1.956 39.559 38.460 -1.429 0.000 1.234 76 Y HN 0.428 nan 8.280 nan 0.000 0.461 77 K N 2.225 122.392 120.400 -0.389 0.000 2.323 77 K HA 0.866 5.186 4.320 -0.000 0.000 0.259 77 K C -1.422 175.306 176.600 0.214 0.000 0.947 77 K CA -0.480 55.822 56.287 0.025 0.000 0.819 77 K CB 1.064 33.633 32.500 0.114 0.000 1.109 77 K HN 0.785 nan 8.250 nan 0.000 0.429 78 A N 4.505 127.537 122.820 0.353 0.000 2.350 78 A HA 0.697 5.017 4.320 -0.000 0.000 0.318 78 A C -1.332 176.407 177.584 0.259 0.000 1.132 78 A CA -0.901 51.314 52.037 0.297 0.000 0.811 78 A CB 1.068 20.259 19.000 0.319 0.000 1.313 78 A HN 0.680 nan 8.150 nan 0.000 0.454 79 L N 1.288 122.627 121.223 0.193 0.000 2.362 79 L HA 0.641 4.981 4.340 -0.000 0.000 0.275 79 L C -1.225 175.706 176.870 0.101 0.000 0.998 79 L CA -0.742 54.194 54.840 0.159 0.000 0.820 79 L CB 1.831 43.975 42.059 0.141 0.000 1.270 79 L HN 0.473 nan 8.230 nan 0.000 0.415 80 V N 2.475 122.422 119.914 0.056 0.000 2.760 80 V HA 0.273 4.393 4.120 -0.000 0.000 0.309 80 V C -0.329 175.718 176.094 -0.078 0.000 1.077 80 V CA -0.816 61.477 62.300 -0.012 0.000 0.910 80 V CB 2.403 34.217 31.823 -0.015 0.000 1.008 80 V HN 0.767 nan 8.190 nan 0.000 0.424 81 N N 2.373 120.944 118.700 -0.215 0.000 2.420 81 N HA 0.331 5.071 4.740 -0.000 0.000 0.249 81 N C 0.695 176.097 175.510 -0.181 0.000 1.033 81 N CA -0.417 52.491 53.050 -0.236 0.000 0.944 81 N CB 1.550 39.722 38.487 -0.525 0.000 1.113 81 N HN 0.588 nan 8.380 nan 0.000 0.502 82 V N 0.387 120.237 119.914 -0.106 0.000 3.608 82 V HA 0.116 4.236 4.120 -0.000 0.000 0.269 82 V C 1.491 177.514 176.094 -0.117 0.000 1.245 82 V CA 0.506 62.747 62.300 -0.098 0.000 1.138 82 V CB 0.222 31.991 31.823 -0.091 0.000 0.841 82 V HN 0.499 nan 8.190 nan 0.000 0.451 83 S N 0.029 115.645 115.700 -0.139 0.000 2.406 83 S HA 0.034 4.504 4.470 -0.000 0.000 0.228 83 S C 1.591 175.890 174.600 -0.501 0.000 1.020 83 S CA 1.742 59.753 58.200 -0.316 0.000 0.965 83 S CB -0.348 62.626 63.200 -0.377 0.000 0.798 83 S HN 0.784 nan 8.310 nan 0.000 0.488 84 Y N 0.246 120.558 120.300 0.020 0.000 2.462 84 Y HA 0.372 4.922 4.550 -0.000 0.000 0.253 84 Y C 1.494 177.451 175.900 0.094 0.000 1.095 84 Y CA 0.010 58.170 58.100 0.100 0.000 1.283 84 Y CB 0.273 38.875 38.460 0.237 0.000 1.138 84 Y HN 0.250 nan 8.280 nan 0.000 0.522 85 G N 2.038 110.888 108.800 0.084 0.000 2.470 85 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.286 85 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.286 85 G C -0.556 174.426 174.900 0.138 0.000 1.115 85 G CA 0.232 45.366 45.100 0.058 0.000 1.122 85 G HN 0.657 nan 8.290 nan 0.000 0.522 86 H N -1.541 117.576 119.070 0.079 0.000 3.046 86 H HA 0.583 5.139 4.556 -0.000 0.000 0.361 86 H C -0.643 174.723 175.328 0.062 0.000 1.235 86 H CA -1.414 54.674 56.048 0.066 0.000 1.146 86 H CB 1.368 31.172 29.762 0.071 0.000 1.859 86 H HN 0.162 nan 8.280 nan 0.000 0.548 87 I N 2.737 123.414 120.570 0.179 0.000 2.441 87 I HA 0.032 4.202 4.170 -0.000 0.000 0.287 87 I C 1.222 177.454 176.117 0.191 0.000 1.049 87 I CA -0.263 61.112 61.300 0.125 0.000 1.381 87 I CB 1.044 39.110 38.000 0.109 0.000 1.409 87 I HN 0.551 nan 8.210 nan 0.000 0.523 88 I N 3.260 123.918 120.570 0.146 0.000 2.628 88 I HA 0.014 4.184 4.170 -0.000 0.000 0.255 88 I C 0.904 177.100 176.117 0.131 0.000 1.119 88 I CA 0.966 62.364 61.300 0.163 0.000 1.448 88 I CB 0.243 38.319 38.000 0.127 0.000 1.133 88 I HN 0.543 nan 8.210 nan 0.000 0.438 89 T N -0.090 114.539 114.554 0.126 0.000 2.932 89 T HA 0.359 4.709 4.350 -0.000 0.000 0.318 89 T C -1.595 173.193 174.700 0.146 0.000 1.265 89 T CA -0.575 61.597 62.100 0.121 0.000 1.036 89 T CB 1.187 70.122 68.868 0.111 0.000 1.209 89 T HN 0.049 nan 8.240 nan 0.000 0.484 90 N N 3.137 121.928 118.700 0.152 0.000 2.793 90 N HA 0.289 5.029 4.740 -0.000 0.000 0.251 90 N C -1.615 174.033 175.510 0.229 0.000 1.308 90 N CA -0.362 52.813 53.050 0.208 0.000 0.781 90 N CB 1.525 40.128 38.487 0.193 0.000 1.439 90 N HN 0.595 nan 8.380 nan 0.000 0.562 91 Q N 1.833 121.747 119.800 0.190 0.000 2.321 91 Q HA 0.398 4.738 4.340 -0.000 0.000 0.270 91 Q C -1.042 174.868 176.000 -0.151 0.000 1.032 91 Q CA -0.694 55.151 55.803 0.071 0.000 0.784 91 Q CB 1.294 30.048 28.738 0.027 0.000 1.264 91 Q HN 0.350 nan 8.270 nan 0.000 0.448 92 K N 3.003 123.197 120.400 -0.342 0.000 2.412 92 K HA 0.097 4.417 4.320 -0.000 0.000 0.281 92 K C -0.474 175.826 176.600 -0.499 0.000 1.027 92 K CA -0.198 55.558 56.287 -0.886 0.000 0.989 92 K CB 0.612 32.658 32.500 -0.757 0.000 0.935 92 K HN 0.593 nan 8.250 nan 0.000 0.475 93 Q N 3.415 122.889 119.800 -0.544 0.000 2.260 93 Q HA 0.304 4.644 4.340 -0.000 0.000 0.242 93 Q C -2.172 173.691 176.000 -0.228 0.000 0.932 93 Q CA -2.080 53.522 55.803 -0.335 0.000 0.891 93 Q CB 0.717 29.227 28.738 -0.380 0.000 1.222 93 Q HN 0.566 nan 8.270 nan 0.000 0.453 94 P HA 0.040 nan 4.420 nan 0.000 0.271 94 P C -0.553 176.690 177.300 -0.095 0.000 1.218 94 P CA -0.288 62.751 63.100 -0.102 0.000 0.780 94 P CB 0.495 32.156 31.700 -0.066 0.000 0.901 95 K N 1.745 122.100 120.400 -0.076 0.000 2.569 95 K HA 0.098 4.418 4.320 -0.000 0.000 0.280 95 K C 1.577 178.139 176.600 -0.064 0.000 0.984 95 K CA 1.496 57.745 56.287 -0.063 0.000 1.064 95 K CB -0.996 31.476 32.500 -0.046 0.000 0.866 95 K HN 0.888 nan 8.250 nan 0.000 0.492 96 G N 0.647 109.404 108.800 -0.071 0.000 2.254 96 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.225 96 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.225 96 G C -0.056 174.781 174.900 -0.105 0.000 1.003 96 G CA -0.063 44.992 45.100 -0.075 0.000 0.622 96 G HN 0.415 nan 8.290 nan 0.000 0.507 97 V N 2.277 122.116 119.914 -0.125 0.000 2.408 97 V HA 0.621 4.740 4.120 -0.000 0.000 0.267 97 V C 0.484 176.380 176.094 -0.329 0.000 1.047 97 V CA 0.027 62.211 62.300 -0.194 0.000 0.937 97 V CB 1.228 32.930 31.823 -0.202 0.000 0.999 97 V HN 0.341 nan 8.190 nan 0.000 0.472 98 I N 3.634 123.947 120.570 -0.428 0.000 2.509 98 I HA 0.594 4.764 4.170 -0.000 0.000 0.293 98 I C 0.898 176.537 176.117 -0.796 0.000 1.020 98 I CA -0.348 60.615 61.300 -0.560 0.000 1.088 98 I CB 2.067 39.911 38.000 -0.260 0.000 1.267 98 I HN 0.689 nan 8.210 nan 0.000 0.430 99 G N 5.315 113.377 108.800 -1.230 0.000 2.616 99 G HA2 0.469 4.429 3.960 -0.000 0.000 0.268 99 G HA3 0.469 4.429 3.960 -0.000 0.000 0.268 99 G C -2.641 172.188 174.900 -0.119 0.000 1.213 99 G CA -1.024 43.621 45.100 -0.760 0.000 0.926 99 G HN 0.282 nan 8.290 nan 0.000 0.523 100 P HA 0.139 nan 4.420 nan 0.000 0.271 100 P C 0.038 177.427 177.300 0.149 0.000 1.233 100 P CA -0.174 63.022 63.100 0.159 0.000 0.789 100 P CB 0.663 32.522 31.700 0.265 0.000 0.951 101 L N 1.108 122.400 121.223 0.115 0.000 2.453 101 L HA 0.441 4.781 4.340 -0.000 0.000 0.261 101 L C 0.898 177.849 176.870 0.135 0.000 1.179 101 L CA -0.355 54.547 54.840 0.104 0.000 0.813 101 L CB 0.093 42.192 42.059 0.067 0.000 1.110 101 L HN 0.326 nan 8.230 nan 0.000 0.466 102 I N 0.018 120.668 120.570 0.134 0.000 2.647 102 I HA 0.382 4.552 4.170 -0.000 0.000 0.295 102 I C 0.992 177.167 176.117 0.097 0.000 1.078 102 I CA -0.461 60.919 61.300 0.132 0.000 1.048 102 I CB 2.106 40.207 38.000 0.167 0.000 1.239 102 I HN 0.761 nan 8.210 nan 0.000 0.421 103 A N 4.736 127.605 122.820 0.080 0.000 1.903 103 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 103 A C 1.722 179.341 177.584 0.059 0.000 1.191 103 A CA 2.399 54.473 52.037 0.062 0.000 0.638 103 A CB -0.651 18.381 19.000 0.052 0.000 0.823 103 A HN 0.885 nan 8.150 nan 0.000 0.451 104 E N 0.162 120.399 120.200 0.062 0.000 2.077 104 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 104 E C 1.672 178.314 176.600 0.070 0.000 0.989 104 E CA 1.382 57.816 56.400 0.057 0.000 0.800 104 E CB -0.272 29.458 29.700 0.051 0.000 0.746 104 E HN 0.602 nan 8.360 nan 0.000 0.452 105 D N -0.110 120.348 120.400 0.097 0.000 2.144 105 D HA -0.112 4.528 4.640 -0.000 0.000 0.200 105 D C 1.769 178.099 176.300 0.051 0.000 0.978 105 D CA 0.645 54.703 54.000 0.096 0.000 0.833 105 D CB -0.068 40.811 40.800 0.132 0.000 0.961 105 D HN 0.115 nan 8.370 nan 0.000 0.470 106 I N 1.008 121.610 120.570 0.054 0.000 2.226 106 I HA -0.212 3.957 4.170 -0.000 0.000 0.245 106 I C 2.256 178.389 176.117 0.027 0.000 1.100 106 I CA 1.101 62.427 61.300 0.043 0.000 1.374 106 I CB -1.114 36.918 38.000 0.054 0.000 1.057 106 I HN 0.090 nan 8.210 nan 0.000 0.413 107 Q N 0.351 120.168 119.800 0.027 0.000 2.096 107 Q HA -0.258 4.082 4.340 -0.000 0.000 0.204 107 Q C 2.180 178.176 176.000 -0.007 0.000 0.982 107 Q CA 1.848 57.660 55.803 0.014 0.000 0.850 107 Q CB -0.167 28.582 28.738 0.019 0.000 0.901 107 Q HN 0.489 nan 8.270 nan 0.000 0.422 108 E N 0.077 120.273 120.200 -0.006 0.000 2.072 108 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 108 E C 1.699 178.243 176.600 -0.093 0.000 0.985 108 E CA 0.860 57.240 56.400 -0.032 0.000 0.801 108 E CB 0.157 29.851 29.700 -0.009 0.000 0.750 108 E HN 0.231 nan 8.360 nan 0.000 0.452 109 I N 0.963 121.474 120.570 -0.099 0.000 2.353 109 I HA -0.162 4.008 4.170 -0.000 0.000 0.248 109 I C 2.344 178.353 176.117 -0.180 0.000 1.119 109 I CA 1.173 62.351 61.300 -0.204 0.000 1.417 109 I CB -1.058 36.873 38.000 -0.116 0.000 1.078 109 I HN 0.285 nan 8.210 nan 0.000 0.421 110 E N 1.266 121.428 120.200 -0.064 0.000 2.058 110 E HA -0.309 4.041 4.350 -0.000 0.000 0.194 110 E C 2.048 178.621 176.600 -0.045 0.000 0.997 110 E CA 1.816 58.202 56.400 -0.023 0.000 0.801 110 E CB 0.064 29.769 29.700 0.008 0.000 0.746 110 E HN 0.376 nan 8.360 nan 0.000 0.450 111 E N 0.489 120.657 120.200 -0.053 0.000 2.049 111 E HA -0.239 4.111 4.350 -0.000 0.000 0.198 111 E C 2.035 178.595 176.600 -0.066 0.000 1.007 111 E CA 1.499 57.870 56.400 -0.048 0.000 0.809 111 E CB -0.540 29.135 29.700 -0.042 0.000 0.749 111 E HN 0.320 nan 8.360 nan 0.000 0.450 112 L N 0.325 121.460 121.223 -0.146 0.000 2.127 112 L HA -0.058 4.282 4.340 -0.000 0.000 0.211 112 L C 2.232 179.014 176.870 -0.146 0.000 1.089 112 L CA 2.093 56.812 54.840 -0.202 0.000 0.757 112 L CB -0.965 40.831 42.059 -0.439 0.000 0.899 112 L HN 0.283 nan 8.230 nan 0.000 0.434 113 A N -1.531 121.198 122.820 -0.152 0.000 1.978 113 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 113 A C 2.157 179.856 177.584 0.192 0.000 1.170 113 A CA 2.236 54.353 52.037 0.133 0.000 0.636 113 A CB -1.019 18.059 19.000 0.130 0.000 0.810 113 A HN 0.598 nan 8.150 nan 0.000 0.448 114 T N -6.397 108.221 114.554 0.106 0.000 3.054 114 T HA 0.193 4.543 4.350 -0.000 0.000 0.255 114 T C 1.186 175.942 174.700 0.093 0.000 1.035 114 T CA 0.966 63.130 62.100 0.107 0.000 0.941 114 T CB 0.424 69.326 68.868 0.057 0.000 1.026 114 T HN 0.145 nan 8.240 nan 0.000 0.533 115 T N 0.567 115.175 114.554 0.091 0.000 3.000 115 T HA 0.160 4.510 4.350 -0.000 0.000 0.248 115 T C 0.443 175.199 174.700 0.094 0.000 1.034 115 T CA -0.265 61.872 62.100 0.063 0.000 1.060 115 T CB -0.184 68.698 68.868 0.023 0.000 0.983 115 T HN 0.509 nan 8.240 nan 0.000 0.482 116 H N 3.021 122.145 119.070 0.091 0.000 2.928 116 H HA 0.042 4.598 4.556 -0.000 0.000 0.338 116 H C -1.778 173.582 175.328 0.054 0.000 1.047 116 H CA -1.325 54.795 56.048 0.121 0.000 1.435 116 H CB 1.578 31.533 29.762 0.322 0.000 1.428 116 H HN -0.009 nan 8.280 nan 0.000 0.590 117 P HA -0.140 nan 4.420 nan 0.000 0.216 117 P C 1.760 179.067 177.300 0.012 0.000 1.150 117 P CA 1.163 64.198 63.100 -0.108 0.000 0.837 117 P CB 0.287 31.865 31.700 -0.204 0.000 0.786 118 I N -1.230 119.434 120.570 0.157 0.000 2.394 118 I HA -0.150 4.020 4.170 -0.000 0.000 0.251 118 I C 2.252 178.366 176.117 -0.006 0.000 1.136 118 I CA 1.090 62.372 61.300 -0.030 0.000 1.425 118 I CB -0.433 37.349 38.000 -0.364 0.000 1.079 118 I HN -0.180 nan 8.210 nan 0.000 0.425 119 V N 0.752 120.752 119.914 0.144 0.000 2.407 119 V HA -0.179 3.941 4.120 -0.000 0.000 0.245 119 V C 2.348 178.488 176.094 0.076 0.000 1.041 119 V CA 1.415 63.796 62.300 0.136 0.000 1.040 119 V CB -0.604 31.405 31.823 0.310 0.000 0.671 119 V HN 0.344 nan 8.190 nan 0.000 0.455 120 K N 0.740 121.193 120.400 0.089 0.000 2.103 120 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 120 K C 2.245 178.848 176.600 0.004 0.000 1.048 120 K CA 1.575 57.891 56.287 0.048 0.000 0.930 120 K CB -0.393 32.128 32.500 0.035 0.000 0.716 120 K HN 0.483 nan 8.250 nan 0.000 0.444 121 A N 1.247 124.053 122.820 -0.023 0.000 1.969 121 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 121 A C 2.024 179.561 177.584 -0.079 0.000 1.169 121 A CA 1.474 53.485 52.037 -0.043 0.000 0.635 121 A CB -0.236 18.732 19.000 -0.053 0.000 0.810 121 A HN 0.231 nan 8.150 nan 0.000 0.445 122 E N 0.078 120.184 120.200 -0.158 0.000 2.107 122 E HA -0.039 4.311 4.350 -0.000 0.000 0.191 122 E C 1.692 178.119 176.600 -0.287 0.000 0.982 122 E CA 0.863 57.056 56.400 -0.345 0.000 0.809 122 E CB -0.301 28.948 29.700 -0.752 0.000 0.756 122 E HN 0.639 nan 8.360 nan 0.000 0.459 123 I N 0.907 121.413 120.570 -0.107 0.000 2.226 123 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 123 I C 2.488 178.654 176.117 0.082 0.000 1.100 123 I CA 1.233 62.591 61.300 0.097 0.000 1.374 123 I CB -0.328 37.760 38.000 0.147 0.000 1.057 123 I HN 0.198 nan 8.210 nan 0.000 0.413 124 E N 1.885 122.108 120.200 0.040 0.000 2.130 124 E HA -0.267 4.083 4.350 -0.000 0.000 0.196 124 E C 1.920 178.556 176.600 0.059 0.000 0.998 124 E CA 1.552 57.979 56.400 0.045 0.000 0.806 124 E CB -0.042 29.670 29.700 0.021 0.000 0.738 124 E HN 0.471 nan 8.360 nan 0.000 0.459 125 K N 0.082 120.506 120.400 0.040 0.000 2.442 125 K HA -0.036 4.284 4.320 -0.000 0.000 0.198 125 K C 2.190 178.868 176.600 0.130 0.000 1.042 125 K CA 0.421 56.745 56.287 0.062 0.000 0.958 125 K CB -0.050 32.466 32.500 0.027 0.000 0.766 125 K HN 0.205 nan 8.250 nan 0.000 0.474 126 L N 0.902 122.233 121.223 0.181 0.000 2.275 126 L HA -0.079 4.261 4.340 -0.000 0.000 0.215 126 L C 0.180 177.209 176.870 0.264 0.000 1.119 126 L CA 0.428 55.439 54.840 0.284 0.000 0.790 126 L CB -0.360 41.891 42.059 0.319 0.000 0.919 126 L HN 0.100 nan 8.230 nan 0.000 0.443 127 K N 1.082 121.593 120.400 0.185 0.000 3.257 127 K HA -0.174 4.146 4.320 -0.000 0.000 0.270 127 K C -0.299 176.427 176.600 0.209 0.000 0.984 127 K CA 0.677 57.063 56.287 0.165 0.000 0.739 127 K CB -2.199 30.390 32.500 0.148 0.000 1.351 127 K HN 0.336 nan 8.250 nan 0.000 0.463 128 L N 1.566 122.901 121.223 0.187 0.000 2.439 128 L HA 0.186 4.526 4.340 -0.000 0.000 0.269 128 L C -0.713 176.205 176.870 0.081 0.000 1.179 128 L CA -1.493 53.447 54.840 0.165 0.000 0.828 128 L CB -0.001 42.099 42.059 0.069 0.000 1.106 128 L HN 0.126 nan 8.230 nan 0.000 0.467 129 P HA 0.258 nan 4.420 nan 0.000 0.277 129 P C -2.363 174.936 177.300 -0.002 0.000 1.271 129 P CA -1.489 61.644 63.100 0.055 0.000 0.795 129 P CB 0.009 31.812 31.700 0.172 0.000 1.101 130 P HA -0.057 nan 4.420 nan 0.000 0.229 130 P C 0.938 178.271 177.300 0.055 0.000 1.160 130 P CA 1.350 64.484 63.100 0.057 0.000 0.777 130 P CB -0.564 31.179 31.700 0.071 0.000 0.814 131 H N -3.028 115.993 119.070 -0.081 0.000 2.539 131 H HA 0.383 4.939 4.556 -0.000 0.000 0.269 131 H C -0.034 175.237 175.328 -0.095 0.000 0.980 131 H CA -0.472 55.534 56.048 -0.069 0.000 1.152 131 H CB -0.279 29.461 29.762 -0.036 0.000 1.407 131 H HN -0.190 nan 8.280 nan 0.000 0.564 132 V N 2.473 122.115 119.914 -0.454 0.000 2.628 132 V HA 0.407 4.527 4.120 -0.000 0.000 0.306 132 V C -0.022 175.963 176.094 -0.181 0.000 1.045 132 V CA -1.027 61.052 62.300 -0.369 0.000 0.905 132 V CB 1.710 33.124 31.823 -0.681 0.000 0.997 132 V HN 0.614 nan 8.190 nan 0.000 0.436 133 R N 2.558 122.987 120.500 -0.119 0.000 2.867 133 R HA 0.885 5.225 4.340 -0.000 0.000 0.268 133 R C -1.793 174.477 176.300 -0.050 0.000 1.014 133 R CA -0.797 55.257 56.100 -0.077 0.000 0.946 133 R CB 1.911 32.162 30.300 -0.082 0.000 1.208 133 R HN 0.324 nan 8.270 nan 0.000 0.477 134 V N 1.554 121.449 119.914 -0.031 0.000 2.539 134 V HA 0.423 4.543 4.120 -0.000 0.000 0.292 134 V C -0.326 175.737 176.094 -0.051 0.000 1.045 134 V CA -0.652 61.635 62.300 -0.021 0.000 0.945 134 V CB 1.673 33.509 31.823 0.022 0.000 0.993 134 V HN 0.526 nan 8.190 nan 0.000 0.464 135 V N 3.322 123.198 119.914 -0.064 0.000 2.656 135 V HA 0.432 4.552 4.120 -0.000 0.000 0.307 135 V C -0.385 175.679 176.094 -0.050 0.000 1.051 135 V CA -0.585 61.617 62.300 -0.164 0.000 0.893 135 V CB 1.952 33.480 31.823 -0.492 0.000 0.999 135 V HN 1.019 nan 8.190 nan 0.000 0.426 136 C N 3.144 122.420 119.300 -0.039 0.000 2.351 136 C HA 0.652 5.112 4.460 -0.000 0.000 0.326 136 C C -0.477 174.592 174.990 0.131 0.000 1.272 136 C CA -0.457 58.612 59.018 0.084 0.000 1.650 136 C CB 0.494 28.279 27.740 0.074 0.000 2.257 136 C HN 0.943 nan 8.230 nan 0.000 0.505 137 D N 6.953 127.555 120.400 0.336 0.000 2.412 137 D HA 0.388 5.028 4.640 -0.000 0.000 0.224 137 D C -2.409 174.195 176.300 0.507 0.000 1.093 137 D CA -0.918 53.350 54.000 0.446 0.000 0.850 137 D CB 1.287 42.507 40.800 0.701 0.000 1.046 137 D HN 0.419 nan 8.370 nan 0.000 0.507 138 P HA 0.188 nan 4.420 nan 0.000 0.276 138 P C -0.752 176.803 177.300 0.424 0.000 1.235 138 P CA -0.451 62.848 63.100 0.332 0.000 0.772 138 P CB 0.516 32.322 31.700 0.177 0.000 0.871 139 W N 3.942 125.347 121.300 0.175 0.000 2.627 139 W HA 0.406 5.066 4.660 -0.000 0.000 0.339 139 W C 0.404 176.987 176.519 0.106 0.000 1.058 139 W CA -0.706 56.747 57.345 0.181 0.000 1.223 139 W CB 0.884 30.527 29.460 0.307 0.000 1.389 139 W HN 0.288 nan 8.180 nan 0.000 0.541 140 M N 1.734 121.445 119.600 0.185 0.000 2.245 140 M HA 0.011 4.491 4.480 -0.000 0.000 0.312 140 M C 0.558 176.973 176.300 0.191 0.000 1.070 140 M CA 0.558 55.938 55.300 0.134 0.000 1.162 140 M CB -0.166 32.485 32.600 0.084 0.000 1.448 140 M HN 0.660 nan 8.290 nan 0.000 0.446 141 N N 0.732 119.486 118.700 0.090 0.000 2.270 141 N HA 0.127 4.867 4.740 -0.000 0.000 0.181 141 N C 0.974 176.512 175.510 0.047 0.000 1.016 141 N CA 1.652 54.727 53.050 0.042 0.000 0.870 141 N CB 0.033 38.501 38.487 -0.032 0.000 0.979 141 N HN 1.088 nan 8.380 nan 0.000 0.431 142 G N -1.504 107.338 108.800 0.071 0.000 2.645 142 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.246 142 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.246 142 G C -0.815 174.048 174.900 -0.061 0.000 1.322 142 G CA 0.077 45.208 45.100 0.052 0.000 0.898 142 G HN 0.353 nan 8.290 nan 0.000 0.573 143 T N 0.873 115.357 114.554 -0.117 0.000 3.109 143 T HA 0.557 4.907 4.350 -0.000 0.000 0.311 143 T C -0.347 174.102 174.700 -0.418 0.000 1.011 143 T CA 0.430 62.330 62.100 -0.334 0.000 1.026 143 T CB 1.656 70.226 68.868 -0.497 0.000 1.047 143 T HN 1.077 nan 8.240 nan 0.000 0.448 144 D N 0.329 120.516 120.400 -0.356 0.000 2.594 144 D HA 0.273 4.913 4.640 -0.000 0.000 0.256 144 D C 0.280 176.564 176.300 -0.026 0.000 1.393 144 D CA -0.404 53.526 54.000 -0.117 0.000 0.797 144 D CB 0.214 41.130 40.800 0.194 0.000 1.110 144 D HN 0.538 nan 8.370 nan 0.000 0.495 145 S N -1.669 113.886 115.700 -0.241 0.000 2.656 145 S HA 0.433 4.903 4.470 -0.000 0.000 0.265 145 S C -1.316 173.262 174.600 -0.037 0.000 1.110 145 S CA -1.189 57.028 58.200 0.029 0.000 0.821 145 S CB 0.955 64.162 63.200 0.010 0.000 1.099 145 S HN -0.059 nan 8.310 nan 0.000 0.471 146 K N 0.720 121.149 120.400 0.048 0.000 2.379 146 K HA 0.574 4.894 4.320 -0.000 0.000 0.284 146 K C -0.575 176.003 176.600 -0.038 0.000 1.044 146 K CA 0.327 56.621 56.287 0.012 0.000 0.974 146 K CB 0.540 33.057 32.500 0.028 0.000 0.962 146 K HN 0.607 nan 8.250 nan 0.000 0.474 147 E N 2.443 122.604 120.200 -0.065 0.000 2.307 147 E HA 0.182 4.532 4.350 -0.000 0.000 0.280 147 E C -1.138 175.417 176.600 -0.076 0.000 0.900 147 E CA -0.308 56.048 56.400 -0.073 0.000 0.790 147 E CB 0.904 30.547 29.700 -0.095 0.000 1.261 147 E HN 0.443 nan 8.360 nan 0.000 0.405 148 D N 2.951 123.312 120.400 -0.065 0.000 2.389 148 D HA 0.133 4.773 4.640 -0.000 0.000 0.206 148 D C -0.063 176.193 176.300 -0.072 0.000 1.055 148 D CA 0.122 54.082 54.000 -0.066 0.000 0.856 148 D CB 0.385 41.154 40.800 -0.051 0.000 0.957 148 D HN 0.277 nan 8.370 nan 0.000 0.509 149 R N 0.601 121.056 120.500 -0.076 0.000 2.459 149 R HA 0.348 4.688 4.340 -0.000 0.000 0.281 149 R C 0.404 176.644 176.300 -0.099 0.000 1.050 149 R CA -0.372 55.677 56.100 -0.084 0.000 1.055 149 R CB 1.544 31.797 30.300 -0.079 0.000 1.045 149 R HN 0.009 nan 8.270 nan 0.000 0.495 150 M N 4.643 124.171 119.600 -0.120 0.000 2.220 150 M HA 0.192 4.672 4.480 -0.000 0.000 0.343 150 M C -1.355 174.887 176.300 -0.097 0.000 1.470 150 M CA 0.219 55.445 55.300 -0.122 0.000 1.161 150 M CB 0.207 32.704 32.600 -0.172 0.000 1.737 150 M HN 0.431 nan 8.290 nan 0.000 0.464 151 L N 5.636 126.814 121.223 -0.076 0.000 2.333 151 L HA 0.649 4.989 4.340 -0.000 0.000 0.269 151 L C -0.715 176.139 176.870 -0.027 0.000 1.010 151 L CA -1.115 53.686 54.840 -0.065 0.000 0.818 151 L CB 2.132 44.135 42.059 -0.093 0.000 1.306 151 L HN 0.565 nan 8.230 nan 0.000 0.430 152 I N 2.054 122.624 120.570 -0.001 0.000 2.418 152 I HA 0.269 4.439 4.170 -0.000 0.000 0.287 152 I C -0.348 175.785 176.117 0.027 0.000 1.008 152 I CA -0.538 60.794 61.300 0.054 0.000 1.104 152 I CB 1.720 39.777 38.000 0.095 0.000 1.264 152 I HN 0.609 nan 8.210 nan 0.000 0.438 153 Q N 5.005 124.825 119.800 0.034 0.000 2.360 153 Q HA 0.333 4.673 4.340 -0.000 0.000 0.254 153 Q C -1.129 174.828 176.000 -0.072 0.000 0.975 153 Q CA -0.123 55.611 55.803 -0.114 0.000 0.912 153 Q CB 0.907 29.543 28.738 -0.171 0.000 1.212 153 Q HN 0.684 nan 8.270 nan 0.000 0.452 154 C N 5.756 124.985 119.300 -0.119 0.000 2.256 154 C HA 0.327 4.787 4.460 -0.000 0.000 0.333 154 C C -0.480 174.408 174.990 -0.169 0.000 1.183 154 C CA -0.684 58.331 59.018 -0.005 0.000 1.692 154 C CB -1.444 26.363 27.740 0.112 0.000 2.274 154 C HN 0.730 nan 8.230 nan 0.000 0.509 155 Y N 3.669 123.981 120.300 0.019 0.000 2.316 155 Y HA 0.447 4.997 4.550 -0.000 0.000 0.331 155 Y C 0.653 176.430 175.900 -0.205 0.000 1.083 155 Y CA -0.042 57.972 58.100 -0.143 0.000 1.206 155 Y CB 0.607 38.990 38.460 -0.128 0.000 1.195 155 Y HN 0.447 nan 8.280 nan 0.000 0.497 156 M N 4.544 123.891 119.600 -0.422 0.000 2.436 156 M HA 0.424 4.904 4.480 -0.000 0.000 0.331 156 M C -1.356 174.497 176.300 -0.745 0.000 1.135 156 M CA -1.125 53.893 55.300 -0.469 0.000 0.987 156 M CB 1.299 33.496 32.600 -0.673 0.000 1.687 156 M HN 0.596 nan 8.290 nan 0.000 0.445 157 Y N 1.066 121.287 120.300 -0.132 0.000 2.625 157 Y HA 0.634 5.184 4.550 -0.000 0.000 0.338 157 Y C -0.778 175.069 175.900 -0.087 0.000 1.123 157 Y CA -1.083 56.976 58.100 -0.068 0.000 1.046 157 Y CB 1.545 40.059 38.460 0.091 0.000 1.299 157 Y HN 0.394 nan 8.280 nan 0.000 0.464 158 L N 1.616 122.926 121.223 0.145 0.000 2.334 158 L HA 0.920 5.260 4.340 -0.000 0.000 0.272 158 L C -0.143 176.888 176.870 0.268 0.000 1.020 158 L CA -0.803 54.133 54.840 0.160 0.000 0.812 158 L CB 1.386 43.536 42.059 0.152 0.000 1.264 158 L HN 0.848 nan 8.230 nan 0.000 0.439 159 A N 0.687 123.526 122.820 0.030 0.000 2.593 159 A HA 0.655 4.975 4.320 -0.000 0.000 0.290 159 A C -0.759 176.377 177.584 -0.748 0.000 1.126 159 A CA -0.467 51.307 52.037 -0.437 0.000 0.695 159 A CB 1.416 20.274 19.000 -0.236 0.000 1.290 159 A HN 0.558 nan 8.150 nan 0.000 0.414 160 S N 0.046 115.106 115.700 -1.067 0.000 2.531 160 S HA 0.396 4.865 4.470 -0.000 0.000 0.279 160 S C 1.234 175.674 174.600 -0.267 0.000 1.305 160 S CA 0.176 58.026 58.200 -0.583 0.000 1.058 160 S CB 0.736 63.682 63.200 -0.423 0.000 0.899 160 S HN 1.831 nan 8.310 nan 0.000 0.493 161 A N 4.473 127.200 122.820 -0.155 0.000 2.209 161 A HA 0.260 4.580 4.320 -0.000 0.000 0.212 161 A C 2.093 179.640 177.584 -0.060 0.000 1.158 161 A CA 1.168 53.148 52.037 -0.094 0.000 0.742 161 A CB -0.786 18.178 19.000 -0.061 0.000 0.790 161 A HN 1.157 nan 8.150 nan 0.000 0.472 162 A N -1.745 121.049 122.820 -0.042 0.000 2.119 162 A HA 0.115 4.435 4.320 -0.000 0.000 0.216 162 A C 0.877 178.454 177.584 -0.010 0.000 1.152 162 A CA 0.824 52.855 52.037 -0.010 0.000 0.708 162 A CB -0.144 18.873 19.000 0.028 0.000 0.805 162 A HN 0.563 nan 8.150 nan 0.000 0.460 163 H N -1.711 117.274 119.070 -0.141 0.000 3.099 163 H HA 0.258 4.814 4.556 -0.000 0.000 0.342 163 H C -2.660 172.560 175.328 -0.180 0.000 1.054 163 H CA -1.243 54.705 56.048 -0.168 0.000 1.328 163 H CB 2.010 31.649 29.762 -0.206 0.000 1.876 163 H HN -0.051 nan 8.280 nan 0.000 0.495 164 P HA -0.063 nan 4.420 nan 0.000 0.222 164 P C 0.500 177.832 177.300 0.054 0.000 1.147 164 P CA 0.935 64.017 63.100 -0.030 0.000 0.790 164 P CB 0.547 32.194 31.700 -0.089 0.000 0.780 165 E N -0.638 119.682 120.200 0.199 0.000 2.451 165 E HA 0.101 4.451 4.350 -0.000 0.000 0.194 165 E C 0.475 176.912 176.600 -0.271 0.000 1.027 165 E CA -0.120 56.259 56.400 -0.036 0.000 0.914 165 E CB -0.201 29.405 29.700 -0.157 0.000 1.054 165 E HN 0.090 nan 8.360 nan 0.000 0.461 166 S N 1.507 117.072 115.700 -0.226 0.000 2.563 166 S HA -0.032 4.438 4.470 -0.000 0.000 0.284 166 S C 0.424 174.896 174.600 -0.213 0.000 1.331 166 S CA -0.281 57.728 58.200 -0.320 0.000 1.047 166 S CB 0.198 63.184 63.200 -0.356 0.000 0.859 166 S HN 0.287 nan 8.310 nan 0.000 0.514 167 N N 2.223 120.794 118.700 -0.215 0.000 2.645 167 N HA 0.130 4.870 4.740 -0.000 0.000 0.233 167 N C 0.872 176.361 175.510 -0.034 0.000 1.058 167 N CA -0.537 52.492 53.050 -0.036 0.000 0.942 167 N CB 0.139 38.641 38.487 0.026 0.000 1.210 167 N HN 0.861 nan 8.380 nan 0.000 0.512 168 H N 1.558 120.527 119.070 -0.169 0.000 2.491 168 H HA -0.093 4.463 4.556 -0.000 0.000 0.290 168 H C 0.653 175.869 175.328 -0.187 0.000 1.050 168 H CA 1.017 56.955 56.048 -0.183 0.000 1.309 168 H CB -0.227 29.354 29.762 -0.302 0.000 1.392 168 H HN 0.515 nan 8.280 nan 0.000 0.554 169 Y N 1.705 121.696 120.300 -0.515 0.000 2.403 169 Y HA -0.174 4.376 4.550 -0.000 0.000 0.291 169 Y C 2.516 178.567 175.900 0.252 0.000 1.143 169 Y CA 1.121 59.032 58.100 -0.315 0.000 1.257 169 Y CB -0.213 38.111 38.460 -0.228 0.000 0.984 169 Y HN 0.501 nan 8.280 nan 0.000 0.550 170 S N -1.094 114.901 115.700 0.491 0.000 2.603 170 S HA 0.104 4.574 4.470 -0.000 0.000 0.220 170 S C 0.392 175.254 174.600 0.436 0.000 0.967 170 S CA 0.056 58.628 58.200 0.620 0.000 0.920 170 S CB -0.011 63.560 63.200 0.619 0.000 0.773 170 S HN 0.195 nan 8.310 nan 0.000 0.529 171 L N 1.794 123.271 121.223 0.423 0.000 2.470 171 L HA 0.591 4.931 4.340 -0.000 0.000 0.256 171 L C -3.169 173.853 176.870 0.253 0.000 1.357 171 L CA -2.088 52.946 54.840 0.324 0.000 0.902 171 L CB 1.522 43.765 42.059 0.307 0.000 1.121 171 L HN -0.130 nan 8.230 nan 0.000 0.507 172 P HA 0.324 nan 4.420 nan 0.000 0.278 172 P C -0.382 176.829 177.300 -0.149 0.000 1.238 172 P CA -0.127 62.990 63.100 0.028 0.000 0.794 172 P CB 0.964 32.706 31.700 0.071 0.000 0.955 173 L N 2.431 123.433 121.223 -0.367 0.000 2.472 173 L HA 0.376 4.716 4.340 -0.000 0.000 0.256 173 L C 1.390 178.198 176.870 -0.104 0.000 1.111 173 L CA -0.377 54.252 54.840 -0.351 0.000 0.800 173 L CB 0.480 42.155 42.059 -0.639 0.000 1.286 173 L HN 0.302 nan 8.230 nan 0.000 0.479 174 K N 0.446 120.896 120.400 0.084 0.000 2.455 174 K HA 0.235 4.555 4.320 -0.000 0.000 0.206 174 K C -0.921 175.794 176.600 0.192 0.000 1.027 174 K CA -0.092 56.311 56.287 0.192 0.000 1.113 174 K CB 0.404 33.101 32.500 0.328 0.000 0.850 174 K HN 0.352 nan 8.250 nan 0.000 0.503 175 F N -1.798 118.127 119.950 -0.042 0.000 2.611 175 F HA 0.694 5.221 4.527 -0.000 0.000 0.324 175 F C -0.466 175.161 175.800 -0.289 0.000 1.061 175 F CA -1.378 56.458 58.000 -0.273 0.000 0.954 175 F CB 1.722 40.532 39.000 -0.316 0.000 1.301 175 F HN -0.289 nan 8.300 nan 0.000 0.482 176 S N 2.793 118.361 115.700 -0.220 0.000 2.706 176 S HA 0.541 5.011 4.470 -0.000 0.000 0.270 176 S C -3.241 171.205 174.600 -0.256 0.000 1.163 176 S CA -1.086 56.923 58.200 -0.319 0.000 1.042 176 S CB 1.518 64.397 63.200 -0.535 0.000 1.079 176 S HN 0.621 nan 8.310 nan 0.000 0.474 177 P HA 0.442 nan 4.420 nan 0.000 0.279 177 P C -1.023 175.990 177.300 -0.478 0.000 1.252 177 P CA -0.563 62.349 63.100 -0.313 0.000 0.811 177 P CB 1.199 32.839 31.700 -0.100 0.000 1.035 178 V N 2.743 122.168 119.914 -0.814 0.000 2.444 178 V HA 0.388 4.508 4.120 -0.000 0.000 0.294 178 V C -0.201 175.366 176.094 -0.878 0.000 1.022 178 V CA -0.288 61.642 62.300 -0.617 0.000 0.850 178 V CB 0.682 32.213 31.823 -0.486 0.000 0.992 178 V HN 0.386 nan 8.190 nan 0.000 0.426 179 F N 1.729 121.497 119.950 -0.304 0.000 2.507 179 F HA 0.486 5.013 4.527 -0.000 0.000 0.327 179 F C 0.524 176.226 175.800 -0.163 0.000 1.068 179 F CA -0.734 57.131 58.000 -0.225 0.000 0.965 179 F CB 1.612 40.539 39.000 -0.121 0.000 1.192 179 F HN 0.454 nan 8.300 nan 0.000 0.476 180 E N 1.268 121.501 120.200 0.055 0.000 2.194 180 E HA 0.116 4.466 4.350 -0.000 0.000 0.284 180 E C 0.548 177.155 176.600 0.013 0.000 1.035 180 E CA -0.361 56.036 56.400 -0.005 0.000 0.836 180 E CB 1.176 30.859 29.700 -0.028 0.000 1.070 180 E HN 0.918 nan 8.360 nan 0.000 0.401 181 C N 5.111 124.387 119.300 -0.040 0.000 2.436 181 C HA -0.109 4.351 4.460 -0.000 0.000 0.277 181 C C 2.145 177.066 174.990 -0.115 0.000 1.241 181 C CA 0.710 59.692 59.018 -0.059 0.000 1.721 181 C CB -0.883 26.805 27.740 -0.087 0.000 2.043 181 C HN 0.866 nan 8.230 nan 0.000 0.472 182 L N 0.657 121.758 121.223 -0.203 0.000 2.179 182 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 182 L C 2.704 179.470 176.870 -0.174 0.000 1.096 182 L CA 1.908 56.576 54.840 -0.287 0.000 0.779 182 L CB -0.665 41.124 42.059 -0.450 0.000 0.922 182 L HN 0.570 nan 8.230 nan 0.000 0.443 183 T N -4.659 109.836 114.554 -0.099 0.000 3.065 183 T HA 0.040 4.390 4.350 -0.000 0.000 0.252 183 T C 0.978 175.684 174.700 0.009 0.000 1.099 183 T CA -0.180 61.896 62.100 -0.040 0.000 1.063 183 T CB 0.008 68.864 68.868 -0.019 0.000 0.948 183 T HN 0.201 nan 8.240 nan 0.000 0.506 184 K N 0.466 120.880 120.400 0.022 0.000 3.130 184 K HA -0.131 4.189 4.320 -0.000 0.000 0.282 184 K C -0.497 176.233 176.600 0.217 0.000 1.145 184 K CA 0.541 56.874 56.287 0.077 0.000 0.831 184 K CB -0.967 31.544 32.500 0.018 0.000 1.226 184 K HN 0.349 nan 8.250 nan 0.000 0.478 185 K N 0.641 121.158 120.400 0.196 0.000 2.174 185 K HA 0.234 4.554 4.320 -0.000 0.000 0.275 185 K C 0.125 176.878 176.600 0.254 0.000 1.015 185 K CA -0.529 55.893 56.287 0.226 0.000 0.933 185 K CB 0.356 32.924 32.500 0.113 0.000 1.025 185 K HN 0.008 nan 8.250 nan 0.000 0.463 186 F N 1.983 121.938 119.950 0.009 0.000 2.471 186 F HA -0.034 4.493 4.527 -0.000 0.000 0.353 186 F C 1.099 176.730 175.800 -0.282 0.000 1.113 186 F CA 0.225 57.993 58.000 -0.385 0.000 1.262 186 F CB 0.623 39.357 39.000 -0.445 0.000 1.146 186 F HN 0.216 nan 8.300 nan 0.000 0.578 187 V N 4.314 123.742 119.914 -0.810 0.000 2.854 187 V HA 0.248 4.368 4.120 -0.000 0.000 0.236 187 V C -0.141 175.660 176.094 -0.488 0.000 1.157 187 V CA 0.805 62.815 62.300 -0.482 0.000 1.187 187 V CB 0.167 31.745 31.823 -0.408 0.000 0.949 187 V HN 0.832 nan 8.190 nan 0.000 0.488 188 R N -0.576 119.389 120.500 -0.892 0.000 2.728 188 R HA 0.503 4.843 4.340 -0.000 0.000 0.274 188 R C -1.398 174.567 176.300 -0.558 0.000 1.032 188 R CA -0.767 55.067 56.100 -0.443 0.000 0.866 188 R CB 1.272 31.432 30.300 -0.233 0.000 1.263 188 R HN 0.103 nan 8.270 nan 0.000 0.475 189 M N 2.325 121.846 119.600 -0.131 0.000 2.088 189 M HA 0.362 4.842 4.480 -0.000 0.000 0.346 189 M C -1.350 174.781 176.300 -0.282 0.000 1.111 189 M CA -0.087 55.112 55.300 -0.168 0.000 1.017 189 M CB 1.126 33.703 32.600 -0.038 0.000 1.568 189 M HN 0.580 nan 8.290 nan 0.000 0.445 190 D N 3.588 123.763 120.400 -0.374 0.000 2.294 190 D HA 0.280 4.920 4.640 -0.000 0.000 0.250 190 D C -1.307 174.670 176.300 -0.537 0.000 1.058 190 D CA 0.382 54.184 54.000 -0.330 0.000 0.950 190 D CB 0.753 41.362 40.800 -0.318 0.000 1.158 190 D HN 0.509 nan 8.370 nan 0.000 0.453 191 Y N 0.294 120.557 120.300 -0.061 0.000 2.429 191 Y HA 0.412 4.962 4.550 -0.000 0.000 0.342 191 Y C -0.187 175.668 175.900 -0.076 0.000 1.004 191 Y CA -0.987 57.105 58.100 -0.014 0.000 1.075 191 Y CB 1.255 39.725 38.460 0.018 0.000 1.214 191 Y HN 0.045 nan 8.280 nan 0.000 0.455 192 L N 5.770 127.036 121.223 0.071 0.000 2.329 192 L HA 0.561 4.901 4.340 -0.000 0.000 0.279 192 L C -2.408 174.542 176.870 0.135 0.000 1.014 192 L CA -2.434 52.400 54.840 -0.011 0.000 0.814 192 L CB 1.250 43.333 42.059 0.040 0.000 1.257 192 L HN 0.401 nan 8.230 nan 0.000 0.424 193 P HA 0.213 nan 4.420 nan 0.000 0.280 193 P C 0.244 177.698 177.300 0.257 0.000 1.244 193 P CA -0.278 62.939 63.100 0.195 0.000 0.784 193 P CB 1.299 33.117 31.700 0.197 0.000 0.913 194 G N 1.962 110.871 108.800 0.180 0.000 3.192 194 G HA2 0.298 4.258 3.960 -0.000 0.000 0.239 194 G HA3 0.298 4.258 3.960 -0.000 0.000 0.239 194 G C 0.671 175.626 174.900 0.091 0.000 1.084 194 G CA 0.091 45.277 45.100 0.144 0.000 0.784 194 G HN 0.646 nan 8.290 nan 0.000 0.540 195 G N -0.237 108.620 108.800 0.097 0.000 2.695 195 G HA2 0.464 4.424 3.960 -0.000 0.000 0.213 195 G HA3 0.464 4.424 3.960 -0.000 0.000 0.213 195 G C 1.110 176.056 174.900 0.077 0.000 1.406 195 G CA 0.473 45.607 45.100 0.057 0.000 1.049 195 G HN 0.326 nan 8.290 nan 0.000 0.573 196 A N -1.098 121.755 122.820 0.055 0.000 2.195 196 A HA 0.341 4.661 4.320 -0.000 0.000 0.210 196 A C 0.914 178.600 177.584 0.171 0.000 1.165 196 A CA 1.551 53.608 52.037 0.034 0.000 0.806 196 A CB -0.314 18.668 19.000 -0.030 0.000 0.847 196 A HN 0.671 nan 8.150 nan 0.000 0.482 197 D N -1.778 118.735 120.400 0.188 0.000 2.808 197 D HA 0.155 4.795 4.640 -0.000 0.000 0.249 197 D C 0.644 177.061 176.300 0.194 0.000 1.151 197 D CA 0.131 54.271 54.000 0.233 0.000 1.089 197 D CB -0.197 40.686 40.800 0.138 0.000 1.295 197 D HN -0.023 nan 8.370 nan 0.000 0.631 198 E N -0.277 119.995 120.200 0.120 0.000 2.489 198 E HA 0.018 4.368 4.350 -0.000 0.000 0.193 198 E C -0.262 176.373 176.600 0.059 0.000 1.057 198 E CA 0.042 56.487 56.400 0.075 0.000 0.866 198 E CB -0.801 28.909 29.700 0.016 0.000 0.916 198 E HN 0.330 nan 8.360 nan 0.000 0.500 199 T N 2.061 116.652 114.554 0.061 0.000 2.908 199 T HA 0.209 4.559 4.350 -0.000 0.000 0.301 199 T C 0.344 175.074 174.700 0.050 0.000 1.019 199 T CA 0.273 62.398 62.100 0.041 0.000 1.152 199 T CB 1.028 69.917 68.868 0.034 0.000 0.966 199 T HN 0.243 nan 8.240 nan 0.000 0.540 200 V N 0.967 120.901 119.914 0.034 0.000 3.113 200 V HA 1.015 5.135 4.120 -0.000 0.000 0.316 200 V C -0.046 176.047 176.094 -0.002 0.000 1.125 200 V CA -0.889 61.440 62.300 0.048 0.000 1.026 200 V CB 2.093 33.966 31.823 0.084 0.000 1.080 200 V HN 1.012 nan 8.190 nan 0.000 0.444 201 T N -1.454 113.093 114.554 -0.012 0.000 2.812 201 T HA 0.603 4.953 4.350 -0.000 0.000 0.294 201 T C -0.342 174.247 174.700 -0.185 0.000 1.159 201 T CA -0.265 61.787 62.100 -0.079 0.000 1.008 201 T CB 1.709 70.558 68.868 -0.031 0.000 1.289 201 T HN 1.287 nan 8.240 nan 0.000 0.514 202 E N 0.500 120.570 120.200 -0.216 0.000 2.409 202 E HA 0.296 4.646 4.350 -0.000 0.000 0.257 202 E C -0.698 175.884 176.600 -0.030 0.000 1.150 202 E CA -0.693 55.549 56.400 -0.264 0.000 0.942 202 E CB -0.061 29.539 29.700 -0.168 0.000 0.979 202 E HN 0.536 nan 8.360 nan 0.000 0.447 203 T N 2.312 116.915 114.554 0.082 0.000 2.817 203 T HA 0.021 4.371 4.350 -0.000 0.000 0.295 203 T C -0.197 174.582 174.700 0.131 0.000 0.958 203 T CA 0.110 62.331 62.100 0.201 0.000 1.157 203 T CB 0.338 69.320 68.868 0.191 0.000 0.898 203 T HN 0.358 nan 8.240 nan 0.000 0.536 204 Q N 1.110 121.001 119.800 0.152 0.000 2.204 204 Q HA 0.664 5.004 4.340 -0.000 0.000 0.254 204 Q C 0.113 176.202 176.000 0.149 0.000 0.981 204 Q CA -1.020 54.839 55.803 0.094 0.000 0.897 204 Q CB 1.311 30.065 28.738 0.027 0.000 1.273 204 Q HN 0.802 nan 8.270 nan 0.000 0.464 205 A N 1.074 123.957 122.820 0.105 0.000 2.520 205 A HA -0.010 4.310 4.320 -0.000 0.000 0.235 205 A C -1.031 176.649 177.584 0.160 0.000 1.065 205 A CA 0.001 52.129 52.037 0.150 0.000 0.764 205 A CB 0.162 19.222 19.000 0.099 0.000 1.002 205 A HN 0.684 nan 8.150 nan 0.000 0.502 206 W N 2.943 124.288 121.300 0.076 0.000 2.338 206 W HA 0.227 4.887 4.660 -0.000 0.000 0.307 206 W C -0.263 176.170 176.519 -0.144 0.000 1.167 206 W CA -0.280 57.058 57.345 -0.012 0.000 1.208 206 W CB 1.453 30.955 29.460 0.070 0.000 1.228 206 W HN 1.016 nan 8.180 nan 0.000 0.499 207 D N 2.196 122.288 120.400 -0.513 0.000 2.201 207 D HA -0.097 4.543 4.640 -0.000 0.000 0.209 207 D C -0.106 175.911 176.300 -0.471 0.000 0.961 207 D CA 1.003 54.785 54.000 -0.363 0.000 0.861 207 D CB 0.239 40.840 40.800 -0.333 0.000 0.997 207 D HN 0.576 nan 8.370 nan 0.000 0.486 208 E N -1.447 118.309 120.200 -0.740 0.000 2.383 208 E HA 0.507 4.857 4.350 -0.000 0.000 0.275 208 E C -1.450 174.648 176.600 -0.835 0.000 0.918 208 E CA -0.986 55.038 56.400 -0.626 0.000 0.764 208 E CB 1.191 30.723 29.700 -0.280 0.000 1.252 208 E HN -0.093 nan 8.360 nan 0.000 0.449 209 F N 1.204 121.140 119.950 -0.023 0.000 2.530 209 F HA 0.306 4.833 4.527 -0.000 0.000 0.318 209 F C -2.045 173.419 175.800 -0.559 0.000 1.356 209 F CA -2.044 55.738 58.000 -0.363 0.000 1.135 209 F CB 1.441 40.210 39.000 -0.386 0.000 1.315 209 F HN 0.244 nan 8.300 nan 0.000 0.549 210 P HA 0.138 nan 4.420 nan 0.000 0.232 210 P C -0.285 176.987 177.300 -0.048 0.000 1.814 210 P CA -0.033 63.010 63.100 -0.094 0.000 1.085 210 P CB -0.281 31.415 31.700 -0.006 0.000 1.901 211 F N 1.010 121.081 119.950 0.202 0.000 2.553 211 F HA 0.072 4.599 4.527 -0.000 0.000 0.356 211 F C 1.257 177.150 175.800 0.155 0.000 1.142 211 F CA -0.194 57.909 58.000 0.172 0.000 1.322 211 F CB 0.593 39.665 39.000 0.121 0.000 1.126 211 F HN 0.016 nan 8.300 nan 0.000 0.599 212 V N 2.923 123.063 119.914 0.376 0.000 2.325 212 V HA 0.207 4.327 4.120 -0.000 0.000 0.280 212 V C -0.271 175.883 176.094 0.100 0.000 1.016 212 V CA -0.835 61.609 62.300 0.240 0.000 0.818 212 V CB 0.883 32.906 31.823 0.332 0.000 1.019 212 V HN 0.576 nan 8.190 nan 0.000 0.434 213 E N 3.204 123.432 120.200 0.046 0.000 2.301 213 E HA 0.234 4.584 4.350 -0.000 0.000 0.275 213 E C 0.024 176.567 176.600 -0.096 0.000 1.030 213 E CA -0.222 56.123 56.400 -0.091 0.000 0.852 213 E CB 1.722 31.352 29.700 -0.116 0.000 1.060 213 E HN 0.814 nan 8.360 nan 0.000 0.401 214 Y N -0.310 119.938 120.300 -0.086 0.000 2.524 214 Y HA 0.173 4.723 4.550 -0.000 0.000 0.270 214 Y C 1.139 177.001 175.900 -0.064 0.000 1.094 214 Y CA -0.235 57.808 58.100 -0.095 0.000 1.276 214 Y CB -0.007 38.374 38.460 -0.131 0.000 1.130 214 Y HN 0.493 nan 8.280 nan 0.000 0.536 215 H N 3.878 122.599 119.070 -0.582 0.000 2.815 215 H HA 0.083 4.639 4.556 -0.000 0.000 0.350 215 H C -1.884 173.338 175.328 -0.177 0.000 1.080 215 H CA -1.506 54.343 56.048 -0.332 0.000 1.433 215 H CB 1.719 31.146 29.762 -0.559 0.000 1.432 215 H HN 0.066 nan 8.280 nan 0.000 0.592 216 P HA -0.107 nan 4.420 nan 0.000 0.220 216 P C 0.819 178.138 177.300 0.032 0.000 1.148 216 P CA 0.959 63.981 63.100 -0.131 0.000 0.803 216 P CB 0.362 31.955 31.700 -0.179 0.000 0.782 217 D N -1.297 119.262 120.400 0.265 0.000 2.263 217 D HA -0.051 4.589 4.640 -0.000 0.000 0.208 217 D C 1.551 177.869 176.300 0.030 0.000 0.971 217 D CA 1.052 55.149 54.000 0.161 0.000 0.867 217 D CB -0.059 40.859 40.800 0.197 0.000 0.929 217 D HN 0.253 nan 8.370 nan 0.000 0.492 218 L N -0.330 120.872 121.223 -0.035 0.000 2.993 218 L HA 0.161 4.501 4.340 -0.000 0.000 0.264 218 L C 1.439 178.280 176.870 -0.048 0.000 1.154 218 L CA 0.022 54.808 54.840 -0.091 0.000 0.972 218 L CB 0.210 42.118 42.059 -0.251 0.000 1.373 218 L HN -0.001 nan 8.230 nan 0.000 0.564 219 N N 0.131 118.810 118.700 -0.036 0.000 2.412 219 N HA -0.024 4.716 4.740 -0.000 0.000 0.184 219 N C 1.366 176.883 175.510 0.011 0.000 1.101 219 N CA 0.744 53.785 53.050 -0.015 0.000 0.881 219 N CB 0.493 38.970 38.487 -0.016 0.000 0.969 219 N HN 0.198 nan 8.380 nan 0.000 0.459 220 G N 0.819 109.627 108.800 0.013 0.000 2.162 220 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.260 220 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.260 220 G C -0.198 174.714 174.900 0.020 0.000 0.976 220 G CA 0.348 45.462 45.100 0.023 0.000 0.655 220 G HN 0.529 nan 8.290 nan 0.000 0.533 221 E N 1.183 121.391 120.200 0.014 0.000 2.227 221 E HA 0.577 4.927 4.350 -0.000 0.000 0.282 221 E C 0.533 177.139 176.600 0.010 0.000 1.015 221 E CA -0.088 56.320 56.400 0.013 0.000 0.823 221 E CB 0.549 30.254 29.700 0.009 0.000 1.081 221 E HN 0.127 nan 8.360 nan 0.000 0.396 222 T N 5.091 119.652 114.554 0.012 0.000 2.834 222 T HA 0.145 4.495 4.350 -0.000 0.000 0.298 222 T C 0.262 174.966 174.700 0.006 0.000 0.966 222 T CA -0.349 61.757 62.100 0.010 0.000 1.141 222 T CB 0.080 68.954 68.868 0.011 0.000 0.905 222 T HN 0.283 nan 8.240 nan 0.000 0.535 223 I N 4.198 124.770 120.570 0.004 0.000 2.441 223 I HA 0.158 4.328 4.170 -0.000 0.000 0.287 223 I C 0.383 176.501 176.117 0.002 0.000 1.049 223 I CA -0.681 60.619 61.300 0.000 0.000 1.381 223 I CB 0.839 38.837 38.000 -0.003 0.000 1.409 223 I HN 0.317 nan 8.210 nan 0.000 0.523 224 V N 9.023 128.938 119.914 0.001 0.000 2.406 224 V HA 0.286 4.406 4.120 -0.000 0.000 0.272 224 V C -1.511 174.583 176.094 0.000 0.000 1.043 224 V CA -1.127 61.174 62.300 0.002 0.000 0.915 224 V CB 0.828 32.653 31.823 0.003 0.000 0.988 224 V HN 0.692 nan 8.190 nan 0.000 0.466 225 P HA 0.520 nan 4.420 nan 0.000 0.274 225 P C -1.148 176.152 177.300 -0.001 0.000 1.256 225 P CA -0.553 62.547 63.100 -0.000 0.000 0.795 225 P CB 1.453 33.154 31.700 0.001 0.000 1.038 226 L N -0.043 121.179 121.223 -0.002 0.000 2.445 226 L HA 0.424 4.764 4.340 -0.000 0.000 0.262 226 L C -0.556 176.312 176.870 -0.002 0.000 0.974 226 L CA -0.713 54.125 54.840 -0.002 0.000 0.822 226 L CB 1.962 44.018 42.059 -0.004 0.000 1.339 226 L HN 0.222 nan 8.230 nan 0.000 0.409 227 K N 3.597 123.997 120.400 -0.001 0.000 2.154 227 K HA 0.463 4.783 4.320 -0.000 0.000 0.264 227 K C -2.230 174.369 176.600 -0.002 0.000 1.008 227 K CA -1.513 54.774 56.287 -0.001 0.000 0.937 227 K CB 0.228 32.728 32.500 -0.000 0.000 1.002 227 K HN 0.495 nan 8.250 nan 0.000 0.469 228 P HA 0.090 nan 4.420 nan 0.000 0.269 228 P C -0.892 176.407 177.300 -0.002 0.000 1.209 228 P CA -0.172 62.927 63.100 -0.002 0.000 0.776 228 P CB 0.421 32.120 31.700 -0.001 0.000 0.876 229 L N 3.945 125.166 121.223 -0.003 0.000 2.406 229 L HA 0.538 4.878 4.340 -0.000 0.000 0.270 229 L C -0.672 176.196 176.870 -0.003 0.000 0.982 229 L CA -0.687 54.151 54.840 -0.002 0.000 0.843 229 L CB 0.702 42.759 42.059 -0.004 0.000 1.225 229 L HN 0.327 nan 8.230 nan 0.000 0.412 230 I N 2.997 123.567 120.570 -0.000 0.000 2.530 230 I HA 0.638 4.808 4.170 -0.000 0.000 0.297 230 I C -1.274 174.845 176.117 0.004 0.000 1.011 230 I CA -0.832 60.468 61.300 -0.000 0.000 1.107 230 I CB 2.141 40.141 38.000 0.001 0.000 1.285 230 I HN 0.269 nan 8.210 nan 0.000 0.436 231 V N 5.541 125.457 119.914 0.003 0.000 2.435 231 V HA 0.433 4.553 4.120 -0.000 0.000 0.290 231 V C -0.103 176.001 176.094 0.017 0.000 1.030 231 V CA -0.329 61.978 62.300 0.012 0.000 0.881 231 V CB 1.482 33.312 31.823 0.012 0.000 0.983 231 V HN 0.818 nan 8.190 nan 0.000 0.445 232 Q N 3.452 123.267 119.800 0.025 0.000 2.394 232 Q HA 0.549 4.889 4.340 -0.000 0.000 0.273 232 Q C -1.234 174.789 176.000 0.039 0.000 1.089 232 Q CA -0.685 55.134 55.803 0.027 0.000 0.812 232 Q CB 3.011 31.761 28.738 0.020 0.000 1.353 232 Q HN 0.639 nan 8.270 nan 0.000 0.438 233 Q N 1.627 121.451 119.800 0.040 0.000 2.907 233 Q HA 0.216 4.555 4.340 -0.000 0.000 0.262 233 Q C -2.001 174.017 176.000 0.029 0.000 0.997 233 Q CA -1.589 54.241 55.803 0.046 0.000 0.797 233 Q CB 1.210 29.987 28.738 0.066 0.000 1.228 233 Q HN 0.399 nan 8.270 nan 0.000 0.466 234 P HA -0.175 nan 4.420 nan 0.000 0.219 234 P C 0.222 177.527 177.300 0.010 0.000 1.146 234 P CA 1.260 64.368 63.100 0.014 0.000 0.808 234 P CB 0.364 32.072 31.700 0.013 0.000 0.779 235 E N -0.913 119.294 120.200 0.012 0.000 2.476 235 E HA 0.367 4.717 4.350 -0.000 0.000 0.196 235 E C 0.798 177.396 176.600 -0.004 0.000 1.029 235 E CA 0.042 56.444 56.400 0.004 0.000 0.896 235 E CB 0.093 29.796 29.700 0.006 0.000 1.012 235 E HN 0.147 nan 8.360 nan 0.000 0.475 236 G N 2.635 111.434 108.800 -0.001 0.000 2.655 236 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.680 236 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.680 236 G C -2.853 172.043 174.900 -0.007 0.000 1.302 236 G CA -1.024 44.063 45.100 -0.022 0.000 0.872 236 G HN -0.026 nan 8.290 nan 0.000 0.540 237 P HA 0.420 nan 4.420 nan 0.000 0.277 237 P C 0.456 177.761 177.300 0.008 0.000 1.240 237 P CA -0.123 62.967 63.100 -0.016 0.000 0.798 237 P CB 1.333 32.846 31.700 -0.313 0.000 0.979 238 S N 0.364 116.204 115.700 0.233 0.000 2.605 238 S HA 0.167 4.637 4.470 -0.000 0.000 0.217 238 S C 0.544 175.377 174.600 0.389 0.000 0.958 238 S CA -0.229 58.123 58.200 0.255 0.000 0.919 238 S CB -0.965 62.413 63.200 0.297 0.000 0.780 238 S HN 0.571 nan 8.310 nan 0.000 0.507 239 F N 0.660 120.756 119.950 0.244 0.000 2.483 239 F HA 0.664 5.190 4.527 -0.000 0.000 0.329 239 F C -0.286 175.501 175.800 -0.022 0.000 1.064 239 F CA -1.308 56.745 58.000 0.087 0.000 0.986 239 F CB 0.790 39.688 39.000 -0.171 0.000 1.218 239 F HN -0.163 nan 8.300 nan 0.000 0.484 240 N N 1.227 119.937 118.700 0.017 0.000 2.314 240 N HA 0.549 5.289 4.740 -0.000 0.000 0.304 240 N C -2.078 173.428 175.510 -0.006 0.000 1.073 240 N CA -0.502 52.498 53.050 -0.083 0.000 0.822 240 N CB 2.426 40.862 38.487 -0.086 0.000 1.280 240 N HN 0.590 nan 8.380 nan 0.000 0.489 241 V N 2.364 122.265 119.914 -0.021 0.000 2.409 241 V HA 0.234 4.354 4.120 -0.000 0.000 0.291 241 V C -0.776 175.281 176.094 -0.062 0.000 1.020 241 V CA -0.680 61.610 62.300 -0.017 0.000 0.848 241 V CB 1.258 33.108 31.823 0.045 0.000 0.990 241 V HN 0.700 nan 8.190 nan 0.000 0.430 242 D N 4.006 124.355 120.400 -0.084 0.000 2.446 242 D HA 0.589 5.229 4.640 -0.000 0.000 0.251 242 D C 0.768 177.045 176.300 -0.038 0.000 1.137 242 D CA 0.944 54.908 54.000 -0.060 0.000 0.890 242 D CB 1.024 41.787 40.800 -0.062 0.000 1.071 242 D HN 0.799 nan 8.370 nan 0.000 0.528 243 G N 3.932 112.706 108.800 -0.044 0.000 2.720 243 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.293 243 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.293 243 G C 0.694 175.456 174.900 -0.229 0.000 1.256 243 G CA 0.207 45.286 45.100 -0.035 0.000 0.974 243 G HN 0.633 nan 8.290 nan 0.000 0.551 244 H N 1.014 120.149 119.070 0.108 0.000 2.674 244 H HA 0.300 4.856 4.556 -0.000 0.000 0.274 244 H C 0.552 175.925 175.328 0.074 0.000 1.121 244 H CA 0.482 56.617 56.048 0.145 0.000 1.132 244 H CB 0.968 30.870 29.762 0.232 0.000 1.606 244 H HN 0.302 nan 8.280 nan 0.000 0.558 245 K N 1.761 122.123 120.400 -0.062 0.000 2.253 245 K HA 0.251 4.571 4.320 -0.000 0.000 0.277 245 K C -0.852 175.534 176.600 -0.356 0.000 1.053 245 K CA -0.486 55.532 56.287 -0.448 0.000 0.892 245 K CB 0.141 32.286 32.500 -0.592 0.000 1.102 245 K HN -0.092 nan 8.250 nan 0.000 0.469 246 I N 2.697 122.971 120.570 -0.494 0.000 2.428 246 I HA 0.347 4.517 4.170 -0.000 0.000 0.296 246 I C -0.384 175.342 176.117 -0.651 0.000 0.985 246 I CA 0.007 60.969 61.300 -0.563 0.000 1.260 246 I CB 1.735 39.220 38.000 -0.858 0.000 1.389 246 I HN 0.569 nan 8.210 nan 0.000 0.484 247 S N 5.112 120.578 115.700 -0.390 0.000 2.521 247 S HA 0.654 5.124 4.470 -0.000 0.000 0.295 247 S C -1.604 172.946 174.600 -0.084 0.000 1.098 247 S CA -0.661 57.388 58.200 -0.251 0.000 0.999 247 S CB 1.472 64.584 63.200 -0.146 0.000 1.034 247 S HN 0.578 nan 8.310 nan 0.000 0.483 248 W N 3.232 124.393 121.300 -0.232 0.000 3.775 248 W HA 0.320 4.980 4.660 -0.000 0.000 0.315 248 W C -0.795 175.806 176.519 0.137 0.000 1.169 248 W CA -0.282 56.997 57.345 -0.111 0.000 1.266 248 W CB 0.599 29.829 29.460 -0.383 0.000 1.269 248 W HN 0.649 nan 8.180 nan 0.000 0.471 249 Q N 4.063 123.559 119.800 -0.506 0.000 2.457 249 Q HA -0.204 4.136 4.340 -0.000 0.000 0.283 249 Q C 1.072 176.993 176.000 -0.131 0.000 1.234 249 Q CA 2.397 57.871 55.803 -0.549 0.000 0.877 249 Q CB -1.618 26.333 28.738 -1.312 0.000 1.250 249 Q HN 1.728 nan 8.270 nan 0.000 0.481 250 G N -2.464 106.300 108.800 -0.060 0.000 2.213 250 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.236 250 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.236 250 G C -0.198 174.754 174.900 0.086 0.000 0.991 250 G CA 0.025 45.066 45.100 -0.097 0.000 0.629 250 G HN 0.223 nan 8.290 nan 0.000 0.517 251 W N 1.607 123.086 121.300 0.298 0.000 2.313 251 W HA 0.675 5.335 4.660 -0.000 0.000 0.328 251 W C 0.495 177.012 176.519 -0.003 0.000 1.197 251 W CA -0.350 57.191 57.345 0.327 0.000 1.235 251 W CB 0.772 30.443 29.460 0.352 0.000 1.158 251 W HN 0.037 nan 8.180 nan 0.000 0.578 252 E N 3.237 123.631 120.200 0.324 0.000 2.278 252 E HA 0.492 4.842 4.350 -0.000 0.000 0.272 252 E C -1.169 175.499 176.600 0.114 0.000 0.890 252 E CA -0.891 55.484 56.400 -0.041 0.000 0.770 252 E CB 2.084 31.764 29.700 -0.033 0.000 1.212 252 E HN 0.400 nan 8.360 nan 0.000 0.415 253 F N -0.857 119.043 119.950 -0.083 0.000 2.807 253 F HA 0.611 5.138 4.527 -0.000 0.000 0.316 253 F C -1.655 174.034 175.800 -0.185 0.000 1.162 253 F CA -1.425 56.560 58.000 -0.024 0.000 0.910 253 F CB 0.875 39.903 39.000 0.046 0.000 1.314 253 F HN 0.159 nan 8.300 nan 0.000 0.454 254 F N 1.525 121.708 119.950 0.388 0.000 2.443 254 F HA 0.679 5.206 4.527 -0.000 0.000 0.335 254 F C -0.244 175.781 175.800 0.375 0.000 1.104 254 F CA -1.244 56.923 58.000 0.279 0.000 1.013 254 F CB 1.970 41.066 39.000 0.159 0.000 1.136 254 F HN 0.319 nan 8.300 nan 0.000 0.470 255 V N 5.425 125.642 119.914 0.504 0.000 2.347 255 V HA 0.398 4.518 4.120 -0.000 0.000 0.280 255 V C -0.234 176.094 176.094 0.390 0.000 1.021 255 V CA -0.548 61.992 62.300 0.399 0.000 0.847 255 V CB 1.117 33.090 31.823 0.251 0.000 0.990 255 V HN 0.430 nan 8.190 nan 0.000 0.444 256 I N 6.878 127.670 120.570 0.369 0.000 2.418 256 I HA 0.438 4.608 4.170 -0.000 0.000 0.287 256 I C -2.578 173.708 176.117 0.283 0.000 1.008 256 I CA -2.704 58.741 61.300 0.241 0.000 1.104 256 I CB 1.972 40.098 38.000 0.211 0.000 1.264 256 I HN 0.357 nan 8.210 nan 0.000 0.438 257 P HA 0.168 nan 4.420 nan 0.000 0.268 257 P C -0.238 177.182 177.300 0.201 0.000 1.205 257 P CA 0.230 63.481 63.100 0.252 0.000 0.771 257 P CB 0.558 32.385 31.700 0.211 0.000 0.858 258 T N -1.446 113.235 114.554 0.210 0.000 2.909 258 T HA 0.221 4.571 4.350 -0.000 0.000 0.299 258 T C 0.549 175.350 174.700 0.168 0.000 1.073 258 T CA -0.680 61.529 62.100 0.181 0.000 0.999 258 T CB 1.322 70.312 68.868 0.203 0.000 1.098 258 T HN 0.066 nan 8.240 nan 0.000 0.477 259 V N 1.596 121.600 119.914 0.151 0.000 2.490 259 V HA -0.016 4.104 4.120 -0.000 0.000 0.250 259 V C 2.606 178.786 176.094 0.143 0.000 1.061 259 V CA 2.310 64.692 62.300 0.137 0.000 1.064 259 V CB -0.579 31.309 31.823 0.109 0.000 0.670 259 V HN 0.951 nan 8.190 nan 0.000 0.461 260 R N -0.593 119.990 120.500 0.139 0.000 2.128 260 R HA 0.039 4.379 4.340 -0.000 0.000 0.211 260 R C 1.911 178.247 176.300 0.059 0.000 1.067 260 R CA 1.328 57.466 56.100 0.062 0.000 1.010 260 R CB 0.084 30.345 30.300 -0.065 0.000 0.922 260 R HN 0.597 nan 8.270 nan 0.000 0.457 261 E N -1.512 118.743 120.200 0.091 0.000 2.489 261 E HA 0.232 4.582 4.350 -0.000 0.000 0.204 261 E C 0.739 177.362 176.600 0.040 0.000 1.006 261 E CA 0.309 56.709 56.400 -0.000 0.000 0.936 261 E CB 1.333 31.024 29.700 -0.014 0.000 1.002 261 E HN 0.503 nan 8.360 nan 0.000 0.488 262 G N 1.717 110.619 108.800 0.170 0.000 4.526 262 G HA2 -0.324 3.635 3.960 -0.000 0.000 0.217 262 G HA3 -0.324 3.635 3.960 -0.000 0.000 0.217 262 G C 0.064 175.150 174.900 0.310 0.000 1.428 262 G CA 0.422 45.666 45.100 0.239 0.000 0.928 262 G HN 0.342 nan 8.290 nan 0.000 0.639 263 F N -0.875 119.162 119.950 0.145 0.000 2.686 263 F HA 0.914 5.441 4.527 -0.000 0.000 0.311 263 F C -0.297 175.545 175.800 0.069 0.000 1.128 263 F CA -0.818 57.255 58.000 0.122 0.000 0.946 263 F CB 1.205 40.282 39.000 0.128 0.000 1.336 263 F HN 1.174 nan 8.300 nan 0.000 0.457 264 A N 1.713 124.701 122.820 0.281 0.000 2.454 264 A HA 0.884 5.204 4.320 -0.000 0.000 0.302 264 A C -1.469 176.161 177.584 0.076 0.000 1.079 264 A CA -0.921 51.130 52.037 0.023 0.000 0.731 264 A CB 1.439 20.292 19.000 -0.245 0.000 1.299 264 A HN 0.791 nan 8.150 nan 0.000 0.413 265 I N 0.991 121.489 120.570 -0.121 0.000 2.465 265 I HA 0.473 4.643 4.170 -0.000 0.000 0.291 265 I C -1.325 174.643 176.117 -0.248 0.000 1.014 265 I CA -0.411 60.893 61.300 0.007 0.000 1.093 265 I CB 1.647 39.661 38.000 0.024 0.000 1.267 265 I HN 0.688 nan 8.210 nan 0.000 0.431 266 Y N 2.065 122.339 120.300 -0.043 0.000 2.570 266 Y HA 0.260 4.810 4.550 -0.000 0.000 0.345 266 Y C 0.333 176.275 175.900 0.070 0.000 1.014 266 Y CA -0.754 57.179 58.100 -0.279 0.000 1.063 266 Y CB 1.343 39.260 38.460 -0.905 0.000 1.272 266 Y HN 0.674 nan 8.280 nan 0.000 0.477 267 D N 0.937 121.444 120.400 0.179 0.000 2.723 267 D HA -0.203 4.437 4.640 -0.000 0.000 0.236 267 D C -1.055 175.612 176.300 0.611 0.000 1.138 267 D CA 0.499 54.806 54.000 0.512 0.000 0.676 267 D CB -0.867 40.419 40.800 0.810 0.000 1.069 267 D HN 0.455 nan 8.370 nan 0.000 0.430 268 I N 1.237 122.051 120.570 0.407 0.000 2.452 268 I HA 0.171 4.341 4.170 -0.000 0.000 0.287 268 I C 0.798 177.171 176.117 0.427 0.000 1.079 268 I CA 0.078 61.671 61.300 0.489 0.000 1.387 268 I CB 0.541 38.746 38.000 0.341 0.000 1.404 268 I HN 0.154 nan 8.210 nan 0.000 0.522 269 H N 5.580 124.926 119.070 0.461 0.000 2.679 269 H HA 0.549 5.105 4.556 -0.000 0.000 0.367 269 H C -1.271 174.299 175.328 0.403 0.000 1.162 269 H CA -0.553 55.709 56.048 0.356 0.000 1.181 269 H CB 2.194 32.109 29.762 0.254 0.000 1.693 269 H HN 0.463 nan 8.280 nan 0.000 0.538 270 F N 2.523 122.534 119.950 0.102 0.000 2.547 270 F HA 0.266 4.793 4.527 -0.000 0.000 0.316 270 F C -0.443 175.380 175.800 0.038 0.000 1.121 270 F CA -0.977 56.879 58.000 -0.239 0.000 0.911 270 F CB 0.915 39.383 39.000 -0.886 0.000 1.179 270 F HN 0.440 nan 8.300 nan 0.000 0.443 271 K N 4.094 124.154 120.400 -0.567 0.000 3.069 271 K HA -0.210 4.110 4.320 -0.000 0.000 0.267 271 K C 0.676 177.241 176.600 -0.059 0.000 1.082 271 K CA 0.993 57.041 56.287 -0.398 0.000 0.782 271 K CB -2.096 30.146 32.500 -0.431 0.000 1.230 271 K HN 1.481 nan 8.250 nan 0.000 0.488 272 G N -0.333 108.491 108.800 0.039 0.000 2.179 272 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.260 272 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.260 272 G C 0.058 175.107 174.900 0.249 0.000 0.977 272 G CA 0.729 45.897 45.100 0.113 0.000 0.641 272 G HN 0.404 nan 8.290 nan 0.000 0.533 273 R N 0.222 120.891 120.500 0.283 0.000 2.637 273 R HA 0.607 4.947 4.340 -0.000 0.000 0.291 273 R C 0.221 176.638 176.300 0.194 0.000 0.963 273 R CA -0.115 56.142 56.100 0.262 0.000 0.901 273 R CB 1.607 32.044 30.300 0.227 0.000 1.160 273 R HN 0.185 nan 8.270 nan 0.000 0.457 274 S N 0.925 116.597 115.700 -0.047 0.000 2.562 274 S HA 0.149 4.619 4.470 -0.000 0.000 0.281 274 S C 0.655 175.182 174.600 -0.123 0.000 1.333 274 S CA -0.413 57.512 58.200 -0.459 0.000 1.052 274 S CB 0.765 63.712 63.200 -0.423 0.000 0.884 274 S HN 0.407 nan 8.310 nan 0.000 0.506 275 V N 4.223 124.015 119.914 -0.204 0.000 3.278 275 V HA 0.366 4.486 4.120 -0.000 0.000 0.215 275 V C -0.371 175.594 176.094 -0.215 0.000 1.287 275 V CA 0.084 62.199 62.300 -0.309 0.000 1.302 275 V CB 0.452 32.066 31.823 -0.347 0.000 1.228 275 V HN 0.639 nan 8.190 nan 0.000 0.523 276 V N -0.668 119.196 119.914 -0.084 0.000 2.760 276 V HA 0.367 4.487 4.120 -0.000 0.000 0.309 276 V C 0.150 176.305 176.094 0.101 0.000 1.077 276 V CA -0.460 61.834 62.300 -0.011 0.000 0.910 276 V CB 2.096 33.886 31.823 -0.055 0.000 1.008 276 V HN 0.435 nan 8.190 nan 0.000 0.424 277 Y N 4.444 124.780 120.300 0.060 0.000 2.243 277 Y HA 0.290 4.840 4.550 -0.000 0.000 0.293 277 Y C 1.149 177.094 175.900 0.075 0.000 1.124 277 Y CA 1.267 59.458 58.100 0.152 0.000 1.159 277 Y CB 0.324 38.884 38.460 0.165 0.000 1.008 277 Y HN 0.521 nan 8.280 nan 0.000 0.527 278 R N 0.730 121.162 120.500 -0.114 0.000 2.548 278 R HA 0.440 4.780 4.340 -0.000 0.000 0.280 278 R C -2.592 173.552 176.300 -0.259 0.000 1.061 278 R CA -0.877 55.007 56.100 -0.359 0.000 0.915 278 R CB 1.455 31.557 30.300 -0.329 0.000 1.210 278 R HN 0.183 nan 8.270 nan 0.000 0.442 279 L N 3.217 124.257 121.223 -0.306 0.000 2.381 279 L HA 0.676 5.016 4.340 -0.000 0.000 0.274 279 L C -1.539 175.212 176.870 -0.199 0.000 0.988 279 L CA 0.034 54.754 54.840 -0.200 0.000 0.824 279 L CB 2.016 43.987 42.059 -0.146 0.000 1.263 279 L HN 0.787 nan 8.230 nan 0.000 0.410 280 S N 3.758 119.367 115.700 -0.153 0.000 2.565 280 S HA 0.574 5.044 4.470 -0.000 0.000 0.269 280 S C -1.208 173.325 174.600 -0.111 0.000 1.153 280 S CA -0.918 57.180 58.200 -0.170 0.000 0.835 280 S CB 1.121 64.196 63.200 -0.209 0.000 1.122 280 S HN 0.744 nan 8.310 nan 0.000 0.462 281 L N 2.537 123.616 121.223 -0.241 0.000 2.462 281 L HA 0.536 4.876 4.340 -0.000 0.000 0.272 281 L C 1.188 177.804 176.870 -0.423 0.000 1.166 281 L CA 0.943 55.431 54.840 -0.586 0.000 0.880 281 L CB 1.177 42.805 42.059 -0.718 0.000 1.142 281 L HN 1.018 nan 8.230 nan 0.000 0.473 282 S N 2.825 118.278 115.700 -0.411 0.000 2.527 282 S HA 0.267 4.737 4.470 -0.000 0.000 0.227 282 S C 0.305 174.815 174.600 -0.151 0.000 1.059 282 S CA 0.354 58.476 58.200 -0.130 0.000 0.919 282 S CB 0.092 63.277 63.200 -0.026 0.000 0.805 282 S HN 0.768 nan 8.310 nan 0.000 0.500 283 E N -0.061 119.900 120.200 -0.399 0.000 2.396 283 E HA 0.508 4.858 4.350 -0.000 0.000 0.280 283 E C -1.613 174.740 176.600 -0.412 0.000 1.065 283 E CA -0.362 55.828 56.400 -0.349 0.000 0.831 283 E CB 1.448 30.969 29.700 -0.299 0.000 1.272 283 E HN 0.316 nan 8.360 nan 0.000 0.443 284 M N 2.663 122.115 119.600 -0.247 0.000 2.206 284 M HA 0.454 4.934 4.480 -0.000 0.000 0.272 284 M C -1.625 174.599 176.300 -0.126 0.000 1.012 284 M CA -0.338 54.854 55.300 -0.181 0.000 0.986 284 M CB 1.967 34.362 32.600 -0.342 0.000 1.740 284 M HN 0.506 nan 8.290 nan 0.000 0.472 285 T N 3.364 117.854 114.554 -0.107 0.000 2.859 285 T HA 0.684 5.034 4.350 -0.000 0.000 0.281 285 T C -1.000 173.534 174.700 -0.276 0.000 1.005 285 T CA -0.443 61.376 62.100 -0.468 0.000 1.025 285 T CB 0.952 69.231 68.868 -0.982 0.000 0.977 285 T HN 0.508 nan 8.240 nan 0.000 0.458 286 V N 8.189 127.963 119.914 -0.234 0.000 2.271 286 V HA 0.356 4.476 4.120 -0.000 0.000 0.259 286 V C -2.255 173.774 176.094 -0.109 0.000 1.030 286 V CA -1.602 60.604 62.300 -0.157 0.000 0.957 286 V CB 0.509 32.320 31.823 -0.019 0.000 1.186 286 V HN 0.720 nan 8.190 nan 0.000 0.471 287 P HA 0.274 nan 4.420 nan 0.000 0.280 287 P C -0.937 176.310 177.300 -0.088 0.000 1.244 287 P CA -0.089 62.987 63.100 -0.039 0.000 0.784 287 P CB 0.953 32.606 31.700 -0.080 0.000 0.913 288 Y N 0.691 121.013 120.300 0.037 0.000 2.354 288 Y HA 0.465 5.015 4.550 -0.000 0.000 0.322 288 Y C 1.894 177.825 175.900 0.052 0.000 1.253 288 Y CA 0.506 58.639 58.100 0.054 0.000 1.272 288 Y CB 1.014 39.475 38.460 0.001 0.000 1.255 288 Y HN 0.480 nan 8.280 nan 0.000 0.500 289 G N 0.040 108.946 108.800 0.176 0.000 3.377 289 G HA2 -0.038 3.921 3.960 -0.000 0.000 0.257 289 G HA3 -0.038 3.921 3.960 -0.000 0.000 0.257 289 G C -0.377 174.556 174.900 0.055 0.000 1.038 289 G CA -0.160 45.014 45.100 0.123 0.000 0.809 289 G HN 0.542 nan 8.290 nan 0.000 0.526 290 D N 1.825 122.250 120.400 0.040 0.000 2.371 290 D HA 0.111 4.750 4.640 -0.000 0.000 0.256 290 D C -1.091 175.045 176.300 -0.274 0.000 1.193 290 D CA -1.552 52.293 54.000 -0.260 0.000 0.881 290 D CB 2.205 42.942 40.800 -0.106 0.000 1.143 290 D HN 0.092 nan 8.370 nan 0.000 0.473 291 P HA -0.001 nan 4.420 nan 0.000 0.241 291 P C 0.121 177.295 177.300 -0.210 0.000 1.191 291 P CA 0.347 63.240 63.100 -0.345 0.000 0.771 291 P CB 0.567 31.984 31.700 -0.471 0.000 0.929 292 R N 0.039 120.448 120.500 -0.153 0.000 2.549 292 R HA 0.628 4.968 4.340 -0.000 0.000 0.267 292 R C 0.287 176.625 176.300 0.063 0.000 1.045 292 R CA -0.759 55.313 56.100 -0.047 0.000 1.115 292 R CB 0.766 31.074 30.300 0.014 0.000 1.121 292 R HN -0.063 nan 8.270 nan 0.000 0.543 293 A N 2.052 124.866 122.820 -0.009 0.000 2.340 293 A HA 0.322 4.642 4.320 -0.000 0.000 0.268 293 A C -1.792 175.495 177.584 -0.495 0.000 1.100 293 A CA -1.377 50.660 52.037 0.000 0.000 0.803 293 A CB 0.202 19.225 19.000 0.038 0.000 1.043 293 A HN 0.588 nan 8.150 nan 0.000 0.488 294 P HA 0.075 nan 4.420 nan 0.000 0.255 294 P C 0.828 177.899 177.300 -0.382 0.000 1.248 294 P CA 0.402 63.243 63.100 -0.432 0.000 0.807 294 P CB -0.096 31.342 31.700 -0.437 0.000 1.150 295 F N 1.405 121.310 119.950 -0.076 0.000 2.154 295 F HA -0.249 4.278 4.527 -0.000 0.000 0.301 295 F C 2.901 178.623 175.800 -0.130 0.000 1.087 295 F CA 1.165 59.086 58.000 -0.131 0.000 1.274 295 F CB -1.421 37.511 39.000 -0.114 0.000 1.009 295 F HN 0.157 nan 8.300 nan 0.000 0.485 296 H N 0.907 120.036 119.070 0.098 0.000 2.457 296 H HA -0.079 4.477 4.556 -0.000 0.000 0.297 296 H C 1.745 177.121 175.328 0.081 0.000 1.092 296 H CA 1.333 57.420 56.048 0.064 0.000 1.309 296 H CB -0.709 29.055 29.762 0.003 0.000 1.382 296 H HN 0.294 nan 8.280 nan 0.000 0.535 297 R N 1.061 121.215 120.500 -0.577 0.000 2.313 297 R HA 0.076 4.416 4.340 -0.000 0.000 0.199 297 R C 0.220 176.531 176.300 0.019 0.000 0.958 297 R CA -0.033 55.917 56.100 -0.249 0.000 1.047 297 R CB 0.205 30.289 30.300 -0.360 0.000 0.955 297 R HN 0.281 nan 8.270 nan 0.000 0.481 298 K N 1.812 122.251 120.400 0.065 0.000 2.110 298 K HA -0.013 4.307 4.320 -0.000 0.000 0.260 298 K C -0.125 176.693 176.600 0.363 0.000 1.126 298 K CA 0.312 56.730 56.287 0.218 0.000 1.005 298 K CB 0.352 32.760 32.500 -0.153 0.000 1.336 298 K HN 0.031 nan 8.250 nan 0.000 0.369 299 Q N 2.438 122.428 119.800 0.316 0.000 3.090 299 Q HA 0.270 4.610 4.340 -0.000 0.000 0.241 299 Q C -1.240 174.875 176.000 0.191 0.000 0.958 299 Q CA -0.394 55.534 55.803 0.208 0.000 0.715 299 Q CB 1.122 29.946 28.738 0.143 0.000 1.298 299 Q HN 0.622 nan 8.270 nan 0.000 0.468 300 A N 1.986 124.908 122.820 0.170 0.000 2.425 300 A HA 0.435 4.755 4.320 -0.000 0.000 0.242 300 A C -0.853 176.705 177.584 -0.044 0.000 1.077 300 A CA 0.158 52.259 52.037 0.107 0.000 0.781 300 A CB 0.155 19.152 19.000 -0.006 0.000 1.020 300 A HN 0.626 nan 8.150 nan 0.000 0.494 301 F N 1.277 121.246 119.950 0.031 0.000 2.307 301 F HA 0.230 4.757 4.527 -0.000 0.000 0.369 301 F C 0.721 176.517 175.800 -0.008 0.000 1.076 301 F CA -0.575 57.437 58.000 0.020 0.000 1.149 301 F CB 1.323 40.332 39.000 0.014 0.000 1.410 301 F HN 0.664 nan 8.300 nan 0.000 0.481 302 D N 1.691 122.131 120.400 0.066 0.000 2.178 302 D HA -0.115 4.525 4.640 -0.000 0.000 0.202 302 D C 2.200 178.558 176.300 0.097 0.000 0.974 302 D CA 1.401 55.456 54.000 0.091 0.000 0.841 302 D CB 0.263 41.146 40.800 0.138 0.000 0.953 302 D HN 0.372 nan 8.370 nan 0.000 0.478 303 L N 0.429 121.644 121.223 -0.013 0.000 2.023 303 L HA 0.040 4.380 4.340 -0.000 0.000 0.205 303 L C 2.575 179.411 176.870 -0.056 0.000 1.073 303 L CA 1.608 56.408 54.840 -0.067 0.000 0.745 303 L CB -0.898 41.017 42.059 -0.240 0.000 0.900 303 L HN 0.040 nan 8.230 nan 0.000 0.435 304 G N -1.376 107.403 108.800 -0.035 0.000 2.421 304 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.217 304 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.217 304 G C 1.135 176.056 174.900 0.035 0.000 1.143 304 G CA 0.592 45.654 45.100 -0.064 0.000 0.784 304 G HN 0.315 nan 8.290 nan 0.000 0.541 305 D N -0.598 119.855 120.400 0.089 0.000 2.249 305 D HA 0.028 4.668 4.640 -0.000 0.000 0.205 305 D C 2.041 178.397 176.300 0.093 0.000 0.962 305 D CA 0.821 54.877 54.000 0.093 0.000 0.860 305 D CB 0.197 41.060 40.800 0.104 0.000 0.955 305 D HN 0.409 nan 8.370 nan 0.000 0.505 306 C N -1.349 118.009 119.300 0.096 0.000 2.794 306 C HA 0.644 5.104 4.460 -0.000 0.000 0.443 306 C C 0.973 176.036 174.990 0.122 0.000 1.484 306 C CA 0.007 59.087 59.018 0.103 0.000 2.501 306 C CB 0.383 28.171 27.740 0.081 0.000 2.715 306 C HN 0.382 nan 8.230 nan 0.000 0.570 307 G N 0.009 108.893 108.800 0.141 0.000 3.233 307 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.686 307 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.686 307 G C -0.358 174.690 174.900 0.245 0.000 1.153 307 G CA -0.418 44.774 45.100 0.153 0.000 0.853 307 G HN 0.247 nan 8.290 nan 0.000 0.582 308 F N 1.558 121.510 119.950 0.003 0.000 2.259 308 F HA 0.083 4.610 4.527 -0.000 0.000 0.298 308 F C 2.652 178.486 175.800 0.056 0.000 1.088 308 F CA 1.546 59.557 58.000 0.020 0.000 1.358 308 F CB 0.330 39.314 39.000 -0.026 0.000 1.040 308 F HN 0.661 nan 8.300 nan 0.000 0.505 309 G N -0.664 108.264 108.800 0.213 0.000 2.403 309 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.216 309 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.216 309 G C 1.785 176.750 174.900 0.108 0.000 1.154 309 G CA 0.617 45.811 45.100 0.156 0.000 0.784 309 G HN 0.391 nan 8.290 nan 0.000 0.538 310 A N 0.728 123.612 122.820 0.107 0.000 1.972 310 A HA 0.031 4.351 4.320 -0.000 0.000 0.219 310 A C 2.340 179.958 177.584 0.058 0.000 1.169 310 A CA 2.310 54.397 52.037 0.083 0.000 0.635 310 A CB -0.628 18.429 19.000 0.095 0.000 0.810 310 A HN 0.516 nan 8.150 nan 0.000 0.446 311 T N -2.672 111.906 114.554 0.039 0.000 3.186 311 T HA 0.439 4.789 4.350 -0.000 0.000 0.257 311 T C 0.772 175.449 174.700 -0.039 0.000 1.029 311 T CA 0.203 62.300 62.100 -0.004 0.000 0.916 311 T CB -0.030 68.821 68.868 -0.029 0.000 1.041 311 T HN 0.435 nan 8.240 nan 0.000 0.562 312 G N 1.273 110.069 108.800 -0.006 0.000 2.441 312 G HA2 0.306 4.266 3.960 -0.000 0.000 0.243 312 G HA3 0.306 4.266 3.960 -0.000 0.000 0.243 312 G C -0.210 174.692 174.900 0.004 0.000 1.281 312 G CA -0.713 44.385 45.100 -0.004 0.000 0.854 312 G HN 0.568 nan 8.290 nan 0.000 0.560 313 N N 0.076 118.775 118.700 -0.001 0.000 2.467 313 N HA 0.202 4.942 4.740 -0.000 0.000 0.262 313 N C -0.001 175.521 175.510 0.019 0.000 1.234 313 N CA -0.259 52.795 53.050 0.005 0.000 0.952 313 N CB 0.670 39.157 38.487 0.001 0.000 1.158 313 N HN 0.334 nan 8.380 nan 0.000 0.463 314 S N 1.440 117.142 115.700 0.003 0.000 2.448 314 S HA 0.152 4.622 4.470 -0.000 0.000 0.279 314 S C 1.221 175.807 174.600 -0.022 0.000 1.195 314 S CA -0.495 57.694 58.200 -0.017 0.000 1.051 314 S CB 0.274 63.449 63.200 -0.041 0.000 0.948 314 S HN 0.386 nan 8.310 nan 0.000 0.493 315 L N 2.081 123.302 121.223 -0.002 0.000 2.567 315 L HA 0.160 4.500 4.340 -0.000 0.000 0.225 315 L C 2.233 179.100 176.870 -0.005 0.000 1.119 315 L CA 0.193 55.066 54.840 0.056 0.000 0.871 315 L CB -0.324 41.846 42.059 0.185 0.000 1.036 315 L HN 0.748 nan 8.230 nan 0.000 0.459 316 A N 0.105 122.759 122.820 -0.277 0.000 2.067 316 A HA 0.021 4.341 4.320 -0.000 0.000 0.217 316 A C 2.139 179.614 177.584 -0.182 0.000 1.156 316 A CA 0.617 52.373 52.037 -0.469 0.000 0.683 316 A CB -0.139 18.305 19.000 -0.927 0.000 0.808 316 A HN 0.280 nan 8.150 nan 0.000 0.455 317 L N -0.261 120.890 121.223 -0.121 0.000 1.938 317 L HA 0.013 4.353 4.340 -0.000 0.000 0.212 317 L C 2.095 178.946 176.870 -0.032 0.000 1.085 317 L CA 0.859 55.659 54.840 -0.066 0.000 0.760 317 L CB -1.006 41.026 42.059 -0.044 0.000 0.888 317 L HN 0.464 nan 8.230 nan 0.000 0.433 318 G N -1.532 107.257 108.800 -0.018 0.000 2.583 318 G HA2 0.109 4.069 3.960 -0.000 0.000 0.275 318 G HA3 0.109 4.069 3.960 -0.000 0.000 0.275 318 G C -0.810 174.091 174.900 0.001 0.000 1.342 318 G CA -0.435 44.661 45.100 -0.006 0.000 1.030 318 G HN 0.444 nan 8.290 nan 0.000 0.520 319 C N 0.297 119.598 119.300 0.001 0.000 2.566 319 C HA 0.334 4.794 4.460 -0.000 0.000 0.300 319 C C 0.934 175.918 174.990 -0.009 0.000 1.147 319 C CA -0.772 58.248 59.018 0.004 0.000 1.644 319 C CB -0.638 27.102 27.740 -0.000 0.000 1.691 319 C HN 0.759 nan 8.230 nan 0.000 0.440 320 D N 0.234 120.638 120.400 0.007 0.000 2.178 320 D HA -0.039 4.600 4.640 -0.000 0.000 0.202 320 D C 0.487 176.762 176.300 -0.042 0.000 0.974 320 D CA 1.130 55.130 54.000 -0.001 0.000 0.841 320 D CB 0.186 41.003 40.800 0.029 0.000 0.953 320 D HN 0.497 nan 8.370 nan 0.000 0.478 321 c N 1.025 119.572 118.600 -0.087 0.000 2.319 321 c HA 0.551 5.121 4.570 -0.000 0.000 0.323 321 c C -0.313 173.565 174.090 -0.354 0.000 1.277 321 c CA -1.246 54.900 56.329 -0.304 0.000 1.517 321 c CB 0.369 42.677 42.510 -0.336 0.000 2.206 321 c HN 0.165 nan 8.230 nan 0.000 0.486 322 L N 4.018 124.994 121.223 -0.412 0.000 2.292 322 L HA 0.860 5.200 4.340 -0.000 0.000 0.284 322 L C 0.647 177.376 176.870 -0.235 0.000 1.065 322 L CA 1.922 56.627 54.840 -0.225 0.000 0.806 322 L CB 0.673 42.656 42.059 -0.126 0.000 1.175 322 L HN 1.109 nan 8.230 nan 0.000 0.431 323 G N 2.806 111.538 108.800 -0.114 0.000 2.337 323 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.197 323 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.197 323 G C -1.471 173.420 174.900 -0.015 0.000 1.238 323 G CA -0.533 44.542 45.100 -0.041 0.000 1.119 323 G HN 0.522 nan 8.290 nan 0.000 0.514 324 V N 1.917 121.859 119.914 0.047 0.000 2.350 324 V HA 0.583 4.703 4.120 -0.000 0.000 0.276 324 V C 0.183 176.338 176.094 0.102 0.000 1.028 324 V CA -0.524 61.813 62.300 0.061 0.000 0.860 324 V CB 0.976 32.839 31.823 0.065 0.000 0.990 324 V HN 0.604 nan 8.190 nan 0.000 0.453 325 I N 4.565 125.147 120.570 0.019 0.000 2.603 325 I HA 0.626 4.796 4.170 -0.000 0.000 0.300 325 I C -0.141 175.886 176.117 -0.150 0.000 1.017 325 I CA -1.205 60.030 61.300 -0.108 0.000 1.098 325 I CB 1.968 39.736 38.000 -0.387 0.000 1.279 325 I HN 0.458 nan 8.210 nan 0.000 0.437 326 K N 3.518 123.839 120.400 -0.132 0.000 2.267 326 K HA 0.668 4.988 4.320 -0.000 0.000 0.246 326 K C -1.541 174.828 176.600 -0.386 0.000 0.954 326 K CA -0.406 55.805 56.287 -0.126 0.000 0.824 326 K CB 1.964 34.578 32.500 0.190 0.000 1.167 326 K HN 0.330 nan 8.250 nan 0.000 0.431 327 Y N 0.975 121.323 120.300 0.079 0.000 2.499 327 Y HA 0.553 5.103 4.550 -0.000 0.000 0.347 327 Y C -0.194 175.739 175.900 0.056 0.000 0.987 327 Y CA -0.968 57.164 58.100 0.054 0.000 1.044 327 Y CB 1.957 40.443 38.460 0.044 0.000 1.245 327 Y HN 0.221 nan 8.280 nan 0.000 0.461 328 M N 1.979 121.721 119.600 0.235 0.000 2.644 328 M HA 0.409 4.889 4.480 -0.000 0.000 0.304 328 M C -1.489 174.923 176.300 0.187 0.000 1.215 328 M CA -0.889 54.530 55.300 0.199 0.000 0.871 328 M CB 1.982 34.709 32.600 0.211 0.000 1.740 328 M HN 0.566 nan 8.290 nan 0.000 0.464 329 D N 0.134 120.633 120.400 0.166 0.000 2.326 329 D HA 0.503 5.142 4.640 -0.000 0.000 0.251 329 D C -1.226 175.154 176.300 0.133 0.000 1.023 329 D CA -0.318 53.759 54.000 0.128 0.000 0.966 329 D CB 2.164 43.022 40.800 0.097 0.000 1.156 329 D HN 0.527 nan 8.370 nan 0.000 0.494 330 C N 0.221 119.586 119.300 0.108 0.000 2.771 330 C HA 0.705 5.165 4.460 -0.000 0.000 0.333 330 C C -0.733 174.299 174.990 0.070 0.000 1.267 330 C CA -0.428 58.652 59.018 0.103 0.000 1.721 330 C CB 1.058 28.866 27.740 0.114 0.000 2.222 330 C HN 0.557 nan 8.230 nan 0.000 0.485 331 R N 1.205 121.739 120.500 0.055 0.000 2.744 331 R HA 0.710 5.050 4.340 -0.000 0.000 0.279 331 R C -1.116 175.198 176.300 0.024 0.000 0.977 331 R CA -0.587 55.531 56.100 0.029 0.000 0.906 331 R CB 1.976 32.282 30.300 0.010 0.000 1.197 331 R HN 0.870 nan 8.270 nan 0.000 0.463 332 R N -0.352 120.158 120.500 0.016 0.000 2.808 332 R HA 0.577 4.917 4.340 -0.000 0.000 0.272 332 R C -0.713 175.585 176.300 -0.003 0.000 0.995 332 R CA -1.002 55.107 56.100 0.016 0.000 0.917 332 R CB 0.979 31.306 30.300 0.044 0.000 1.217 332 R HN 0.315 nan 8.270 nan 0.000 0.471 333 V N 0.325 120.235 119.914 -0.006 0.000 2.953 333 V HA 0.363 4.483 4.120 -0.000 0.000 0.304 333 V C -0.070 176.037 176.094 0.022 0.000 1.073 333 V CA -1.010 61.275 62.300 -0.024 0.000 1.064 333 V CB 0.827 32.642 31.823 -0.014 0.000 1.047 333 V HN 0.973 nan 8.190 nan 0.000 0.478 334 N N 0.684 119.388 118.700 0.007 0.000 2.604 334 N HA 0.298 5.038 4.740 -0.000 0.000 0.297 334 N C 0.941 176.485 175.510 0.057 0.000 1.266 334 N CA -0.150 52.919 53.050 0.032 0.000 0.961 334 N CB 0.241 38.737 38.487 0.015 0.000 1.166 334 N HN 0.748 nan 8.380 nan 0.000 0.601 335 T N -3.489 111.077 114.554 0.020 0.000 2.962 335 T HA -0.134 4.216 4.350 -0.000 0.000 0.270 335 T C 1.216 175.964 174.700 0.081 0.000 1.088 335 T CA 1.386 63.444 62.100 -0.071 0.000 1.127 335 T CB -0.481 68.213 68.868 -0.289 0.000 0.883 335 T HN 0.586 nan 8.240 nan 0.000 0.493 336 N N 1.178 119.930 118.700 0.087 0.000 2.463 336 N HA 0.158 4.898 4.740 -0.000 0.000 0.181 336 N C 1.417 176.958 175.510 0.051 0.000 1.078 336 N CA 0.953 54.070 53.050 0.111 0.000 0.902 336 N CB -0.352 38.160 38.487 0.041 0.000 0.970 336 N HN 0.623 nan 8.380 nan 0.000 0.451 337 G N -0.424 108.322 108.800 -0.091 0.000 2.141 337 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.231 337 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.231 337 G C -0.756 173.954 174.900 -0.317 0.000 0.984 337 G CA 0.100 44.885 45.100 -0.526 0.000 0.660 337 G HN 0.389 nan 8.290 nan 0.000 0.525 338 D N 0.367 120.673 120.400 -0.157 0.000 2.283 338 D HA 0.446 5.086 4.640 -0.000 0.000 0.248 338 D C 0.344 176.586 176.300 -0.098 0.000 1.072 338 D CA 0.143 54.075 54.000 -0.114 0.000 0.929 338 D CB 1.502 42.264 40.800 -0.062 0.000 1.182 338 D HN 0.079 nan 8.370 nan 0.000 0.433 339 S N 0.518 116.167 115.700 -0.084 0.000 2.455 339 S HA 0.223 4.693 4.470 -0.000 0.000 0.278 339 S C -0.386 174.194 174.600 -0.033 0.000 1.216 339 S CA -0.690 57.473 58.200 -0.061 0.000 1.055 339 S CB 0.037 63.204 63.200 -0.055 0.000 0.939 339 S HN 0.179 nan 8.310 nan 0.000 0.494 340 V N 7.082 126.984 119.914 -0.019 0.000 2.370 340 V HA 0.359 4.479 4.120 -0.000 0.000 0.279 340 V C 0.120 176.217 176.094 0.006 0.000 1.029 340 V CA -0.898 61.399 62.300 -0.004 0.000 0.870 340 V CB 1.179 33.005 31.823 0.005 0.000 0.984 340 V HN 0.785 nan 8.190 nan 0.000 0.451 341 L N 7.139 128.366 121.223 0.007 0.000 2.367 341 L HA 0.458 4.798 4.340 -0.000 0.000 0.275 341 L C -0.208 176.674 176.870 0.021 0.000 1.129 341 L CA 0.585 55.435 54.840 0.016 0.000 0.839 341 L CB 0.519 42.586 42.059 0.013 0.000 1.133 341 L HN 0.539 nan 8.230 nan 0.000 0.453 342 I N 7.462 128.051 120.570 0.032 0.000 2.464 342 I HA 0.344 4.514 4.170 -0.000 0.000 0.277 342 I C -2.272 173.868 176.117 0.038 0.000 1.040 342 I CA -1.692 59.628 61.300 0.034 0.000 1.153 342 I CB 1.125 39.152 38.000 0.045 0.000 1.274 342 I HN 0.480 nan 8.210 nan 0.000 0.469 343 P HA 0.188 nan 4.420 nan 0.000 0.281 343 P C -0.421 176.884 177.300 0.008 0.000 1.249 343 P CA -0.192 62.916 63.100 0.013 0.000 0.810 343 P CB 0.616 32.305 31.700 -0.017 0.000 1.008 344 N N -0.297 118.419 118.700 0.026 0.000 2.727 344 N HA -0.140 4.600 4.740 -0.000 0.000 0.249 344 N C 0.917 176.489 175.510 0.104 0.000 1.048 344 N CA 1.358 54.431 53.050 0.040 0.000 0.714 344 N CB -2.105 36.253 38.487 -0.215 0.000 0.959 344 N HN 0.608 nan 8.380 nan 0.000 0.544 345 T N -4.227 110.400 114.554 0.122 0.000 2.995 345 T HA 0.134 4.484 4.350 -0.000 0.000 0.269 345 T C 0.868 175.672 174.700 0.173 0.000 1.091 345 T CA 0.632 62.812 62.100 0.134 0.000 1.128 345 T CB 0.484 69.434 68.868 0.136 0.000 0.891 345 T HN 0.081 nan 8.240 nan 0.000 0.492 346 V N 2.226 122.249 119.914 0.182 0.000 2.487 346 V HA 0.542 4.662 4.120 -0.000 0.000 0.298 346 V C 0.296 176.451 176.094 0.100 0.000 1.028 346 V CA -1.562 60.803 62.300 0.109 0.000 0.860 346 V CB 1.153 32.998 31.823 0.037 0.000 0.991 346 V HN 0.733 nan 8.190 nan 0.000 0.427 347 c N 5.293 123.900 118.600 0.011 0.000 2.435 347 c HA 0.962 5.532 4.570 -0.000 0.000 0.333 347 c C -0.773 173.173 174.090 -0.239 0.000 1.202 347 c CA -0.867 55.388 56.329 -0.123 0.000 1.830 347 c CB 0.516 42.989 42.510 -0.062 0.000 2.326 347 c HN 0.733 nan 8.230 nan 0.000 0.507 348 L N 3.976 125.011 121.223 -0.314 0.000 2.410 348 L HA 0.807 5.147 4.340 -0.000 0.000 0.270 348 L C -0.200 176.371 176.870 -0.500 0.000 0.983 348 L CA 0.009 54.524 54.840 -0.541 0.000 0.822 348 L CB 1.753 43.606 42.059 -0.342 0.000 1.285 348 L HN 1.120 nan 8.230 nan 0.000 0.409 349 H N -0.525 117.972 119.070 -0.955 0.000 2.987 349 H HA 0.568 5.123 4.556 -0.000 0.000 0.316 349 H C -1.579 173.418 175.328 -0.550 0.000 1.380 349 H CA -1.053 54.692 56.048 -0.505 0.000 1.160 349 H CB 1.016 30.631 29.762 -0.246 0.000 1.865 349 H HN 0.460 nan 8.280 nan 0.000 0.521 350 E N 0.449 120.622 120.200 -0.045 0.000 2.280 350 E HA 0.349 4.699 4.350 -0.000 0.000 0.264 350 E C -0.626 176.006 176.600 0.053 0.000 1.064 350 E CA -0.865 55.503 56.400 -0.053 0.000 0.900 350 E CB 1.599 31.437 29.700 0.230 0.000 1.123 350 E HN 0.656 nan 8.360 nan 0.000 0.418 351 Q N 0.242 120.046 119.800 0.007 0.000 2.630 351 Q HA 0.368 4.708 4.340 -0.000 0.000 0.295 351 Q C -1.747 174.286 176.000 0.056 0.000 0.944 351 Q CA -0.968 54.869 55.803 0.057 0.000 0.766 351 Q CB 1.282 30.040 28.738 0.033 0.000 1.471 351 Q HN 0.359 nan 8.270 nan 0.000 0.416 352 D N -0.633 119.797 120.400 0.051 0.000 2.210 352 D HA 0.465 5.105 4.640 -0.000 0.000 0.249 352 D C 0.037 176.350 176.300 0.023 0.000 1.078 352 D CA -0.158 53.874 54.000 0.053 0.000 0.875 352 D CB 1.308 42.135 40.800 0.044 0.000 1.175 352 D HN 0.707 nan 8.370 nan 0.000 0.440 353 G N 2.314 111.133 108.800 0.030 0.000 4.044 353 G HA2 0.533 4.493 3.960 -0.000 0.000 0.297 353 G HA3 0.533 4.493 3.960 -0.000 0.000 0.297 353 G C 0.701 175.607 174.900 0.010 0.000 1.101 353 G CA 0.078 45.181 45.100 0.005 0.000 0.884 353 G HN 0.925 nan 8.290 nan 0.000 0.538 354 G N 0.146 108.954 108.800 0.012 0.000 2.553 354 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.242 354 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.242 354 G C -0.082 174.825 174.900 0.011 0.000 1.277 354 G CA -0.421 44.684 45.100 0.009 0.000 0.910 354 G HN 0.591 nan 8.290 nan 0.000 0.576 355 L N 0.474 121.701 121.223 0.006 0.000 2.371 355 L HA 0.428 4.768 4.340 -0.000 0.000 0.272 355 L C 1.717 178.595 176.870 0.013 0.000 1.124 355 L CA -0.632 54.203 54.840 -0.009 0.000 0.816 355 L CB 1.295 43.347 42.059 -0.011 0.000 1.129 355 L HN 0.626 nan 8.230 nan 0.000 0.448 356 L N 4.120 125.339 121.223 -0.006 0.000 2.168 356 L HA 0.118 4.458 4.340 -0.000 0.000 0.203 356 L C -0.143 176.821 176.870 0.156 0.000 1.078 356 L CA 1.107 55.985 54.840 0.063 0.000 0.780 356 L CB 0.066 42.160 42.059 0.059 0.000 0.939 356 L HN 0.612 nan 8.230 nan 0.000 0.451 357 Y N -2.329 118.000 120.300 0.049 0.000 2.624 357 Y HA 0.617 5.167 4.550 -0.000 0.000 0.334 357 Y C -0.901 175.032 175.900 0.056 0.000 1.155 357 Y CA -1.661 56.469 58.100 0.051 0.000 1.046 357 Y CB 0.672 39.161 38.460 0.047 0.000 1.316 357 Y HN -0.070 nan 8.280 nan 0.000 0.457 358 K N 1.523 122.096 120.400 0.288 0.000 2.527 358 K HA 0.552 4.872 4.320 -0.000 0.000 0.260 358 K C -2.470 174.315 176.600 0.309 0.000 0.937 358 K CA -0.898 55.519 56.287 0.217 0.000 0.826 358 K CB 2.122 34.674 32.500 0.087 0.000 1.359 358 K HN 1.015 nan 8.250 nan 0.000 0.434 359 H N 0.235 119.406 119.070 0.168 0.000 3.029 359 H HA 0.425 4.981 4.556 -0.000 0.000 0.358 359 H C -1.842 173.534 175.328 0.080 0.000 1.129 359 H CA -0.233 55.881 56.048 0.109 0.000 1.230 359 H CB 2.205 32.020 29.762 0.089 0.000 1.827 359 H HN 0.483 nan 8.280 nan 0.000 0.530 360 T N 4.335 118.493 114.554 -0.660 0.000 2.824 360 T HA 0.171 4.521 4.350 -0.000 0.000 0.282 360 T C -0.341 173.978 174.700 -0.635 0.000 0.993 360 T CA -0.899 60.935 62.100 -0.443 0.000 0.967 360 T CB 0.751 69.511 68.868 -0.180 0.000 0.960 360 T HN 0.600 nan 8.240 nan 0.000 0.441 361 N N 2.356 120.854 118.700 -0.337 0.000 2.431 361 N HA 0.007 4.747 4.740 -0.000 0.000 0.265 361 N C 1.040 176.470 175.510 -0.133 0.000 1.184 361 N CA -0.576 52.357 53.050 -0.196 0.000 0.943 361 N CB 0.288 38.709 38.487 -0.111 0.000 1.080 361 N HN 0.740 nan 8.380 nan 0.000 0.477 362 Y N 3.389 123.656 120.300 -0.055 0.000 2.483 362 Y HA 0.013 4.563 4.550 -0.000 0.000 0.291 362 Y C 1.475 177.365 175.900 -0.016 0.000 1.143 362 Y CA 0.889 58.968 58.100 -0.034 0.000 1.289 362 Y CB -0.227 38.225 38.460 -0.014 0.000 0.983 362 Y HN 0.460 nan 8.280 nan 0.000 0.556 363 R N 0.074 120.464 120.500 -0.184 0.000 2.161 363 R HA 0.028 4.368 4.340 -0.000 0.000 0.213 363 R C 1.654 177.940 176.300 -0.024 0.000 1.055 363 R CA 1.548 57.600 56.100 -0.079 0.000 0.996 363 R CB -0.107 30.077 30.300 -0.193 0.000 0.901 363 R HN 0.608 nan 8.270 nan 0.000 0.456 364 T N -3.805 110.724 114.554 -0.042 0.000 2.975 364 T HA 0.124 4.474 4.350 -0.000 0.000 0.261 364 T C 0.402 175.095 174.700 -0.013 0.000 0.984 364 T CA -0.415 61.671 62.100 -0.024 0.000 0.911 364 T CB 0.285 69.132 68.868 -0.035 0.000 1.127 364 T HN 0.046 nan 8.240 nan 0.000 0.514 365 N N 0.766 119.458 118.700 -0.013 0.000 2.714 365 N HA -0.117 4.623 4.740 -0.000 0.000 0.250 365 N C -0.522 174.975 175.510 -0.021 0.000 1.117 365 N CA 0.568 53.610 53.050 -0.012 0.000 0.719 365 N CB -1.816 36.673 38.487 0.003 0.000 1.081 365 N HN 0.451 nan 8.380 nan 0.000 0.557 366 V N 2.219 122.116 119.914 -0.029 0.000 2.385 366 V HA 0.338 4.458 4.120 -0.000 0.000 0.269 366 V C -1.534 174.544 176.094 -0.026 0.000 1.043 366 V CA -0.827 61.462 62.300 -0.019 0.000 0.906 366 V CB 1.590 33.406 31.823 -0.012 0.000 0.995 366 V HN 0.034 nan 8.190 nan 0.000 0.467 367 P HA 0.531 nan 4.420 nan 0.000 0.287 367 P C -1.013 176.314 177.300 0.044 0.000 1.279 367 P CA -0.511 62.587 63.100 -0.004 0.000 0.867 367 P CB 2.146 33.841 31.700 -0.007 0.000 1.127 368 V N 0.244 120.222 119.914 0.106 0.000 2.630 368 V HA 0.768 4.888 4.120 -0.000 0.000 0.305 368 V C -0.087 176.081 176.094 0.124 0.000 1.046 368 V CA -0.913 61.482 62.300 0.158 0.000 0.934 368 V CB 1.693 33.682 31.823 0.276 0.000 1.003 368 V HN 0.627 nan 8.190 nan 0.000 0.451 369 I N 2.160 122.709 120.570 -0.036 0.000 2.787 369 I HA 0.798 4.968 4.170 -0.000 0.000 0.294 369 I C -0.887 174.990 176.117 -0.400 0.000 1.365 369 I CA -0.524 60.630 61.300 -0.242 0.000 1.029 369 I CB 1.950 39.887 38.000 -0.105 0.000 1.313 369 I HN 1.165 nan 8.210 nan 0.000 0.431 370 A N 7.083 129.522 122.820 -0.634 0.000 2.486 370 A HA 0.753 5.073 4.320 -0.000 0.000 0.300 370 A C -1.136 176.297 177.584 -0.252 0.000 1.048 370 A CA -0.748 51.030 52.037 -0.431 0.000 0.696 370 A CB 1.798 20.486 19.000 -0.519 0.000 1.278 370 A HN 0.730 nan 8.150 nan 0.000 0.405 371 R N 0.760 121.194 120.500 -0.109 0.000 2.459 371 R HA 0.315 4.655 4.340 -0.000 0.000 0.281 371 R C 0.038 176.348 176.300 0.018 0.000 1.050 371 R CA -0.600 55.480 56.100 -0.034 0.000 1.055 371 R CB 1.083 31.383 30.300 -0.000 0.000 1.045 371 R HN 0.704 nan 8.270 nan 0.000 0.495 372 R N 2.789 123.317 120.500 0.046 0.000 2.893 372 R HA 0.026 4.366 4.340 -0.000 0.000 0.243 372 R C -0.268 176.123 176.300 0.151 0.000 1.481 372 R CA -0.374 55.787 56.100 0.101 0.000 1.250 372 R CB -0.050 30.299 30.300 0.081 0.000 1.213 372 R HN 0.271 nan 8.270 nan 0.000 0.609 373 R N 2.137 122.769 120.500 0.219 0.000 2.537 373 R HA 0.018 4.358 4.340 -0.000 0.000 0.280 373 R C -0.782 175.804 176.300 0.476 0.000 1.058 373 R CA 0.689 56.990 56.100 0.335 0.000 1.057 373 R CB 0.515 31.069 30.300 0.424 0.000 0.973 373 R HN 0.519 nan 8.270 nan 0.000 0.438 374 E N 3.023 123.377 120.200 0.256 0.000 2.277 374 E HA 0.316 4.666 4.350 -0.000 0.000 0.266 374 E C -1.427 174.939 176.600 -0.391 0.000 0.901 374 E CA -0.910 55.505 56.400 0.024 0.000 0.782 374 E CB 1.870 31.519 29.700 -0.085 0.000 1.228 374 E HN 0.435 nan 8.360 nan 0.000 0.424 375 F N 2.079 121.447 119.950 -0.970 0.000 2.482 375 F HA 0.471 4.998 4.527 -0.000 0.000 0.331 375 F C -1.375 174.020 175.800 -0.675 0.000 1.115 375 F CA -0.695 56.612 58.000 -1.154 0.000 0.955 375 F CB 1.055 38.916 39.000 -1.898 0.000 1.136 375 F HN 0.159 nan 8.300 nan 0.000 0.452 376 V N 6.469 125.467 119.914 -1.527 0.000 2.513 376 V HA 0.542 4.662 4.120 -0.000 0.000 0.299 376 V C -0.762 174.653 176.094 -1.131 0.000 1.035 376 V CA -0.882 60.768 62.300 -1.084 0.000 0.889 376 V CB 1.591 32.783 31.823 -1.052 0.000 0.988 376 V HN 0.607 nan 8.190 nan 0.000 0.440 377 V N 4.828 124.367 119.914 -0.626 0.000 2.384 377 V HA 0.553 4.673 4.120 -0.000 0.000 0.287 377 V C -0.275 175.621 176.094 -0.331 0.000 1.020 377 V CA -0.380 61.591 62.300 -0.549 0.000 0.850 377 V CB 1.458 32.977 31.823 -0.507 0.000 0.987 377 V HN 0.983 nan 8.190 nan 0.000 0.436 378 Q N 2.694 122.344 119.800 -0.250 0.000 2.397 378 Q HA 0.722 5.062 4.340 -0.000 0.000 0.275 378 Q C -1.124 174.975 176.000 0.165 0.000 1.090 378 Q CA -0.376 55.450 55.803 0.038 0.000 0.809 378 Q CB 2.635 31.392 28.738 0.032 0.000 1.362 378 Q HN 0.734 nan 8.270 nan 0.000 0.431 379 T N 2.860 117.628 114.554 0.358 0.000 2.903 379 T HA 0.658 5.008 4.350 -0.000 0.000 0.299 379 T C -1.416 173.401 174.700 0.195 0.000 1.093 379 T CA -0.509 61.770 62.100 0.299 0.000 1.002 379 T CB 0.908 70.046 68.868 0.449 0.000 1.127 379 T HN 0.537 nan 8.240 nan 0.000 0.488 380 I N 3.090 123.720 120.570 0.099 0.000 2.447 380 I HA 0.610 4.780 4.170 -0.000 0.000 0.287 380 I C 0.089 176.158 176.117 -0.080 0.000 1.023 380 I CA -1.095 60.220 61.300 0.026 0.000 1.083 380 I CB 1.693 39.707 38.000 0.023 0.000 1.245 380 I HN 0.724 nan 8.210 nan 0.000 0.434 381 A N 4.108 126.782 122.820 -0.243 0.000 2.306 381 A HA 0.739 5.059 4.320 -0.000 0.000 0.314 381 A C -0.137 177.320 177.584 -0.211 0.000 1.164 381 A CA -0.366 51.449 52.037 -0.369 0.000 0.822 381 A CB 0.878 19.264 19.000 -1.022 0.000 1.130 381 A HN 0.619 nan 8.150 nan 0.000 0.496 382 T N 2.167 116.639 114.554 -0.136 0.000 2.770 382 T HA 0.446 4.796 4.350 -0.000 0.000 0.297 382 T C -0.512 174.153 174.700 -0.059 0.000 0.997 382 T CA -0.114 61.930 62.100 -0.094 0.000 0.949 382 T CB 0.518 69.353 68.868 -0.055 0.000 0.941 382 T HN 0.391 nan 8.240 nan 0.000 0.457 383 V N 3.909 123.802 119.914 -0.034 0.000 2.257 383 V HA 0.588 4.707 4.120 -0.000 0.000 0.269 383 V C 0.994 177.079 176.094 -0.015 0.000 1.040 383 V CA -0.012 62.296 62.300 0.013 0.000 0.813 383 V CB -0.619 31.288 31.823 0.139 0.000 1.065 383 V HN 1.205 nan 8.190 nan 0.000 0.457 384 A N 5.252 128.073 122.820 0.002 0.000 5.175 384 A HA -0.322 3.998 4.320 -0.000 0.000 0.332 384 A C 0.799 178.427 177.584 0.072 0.000 1.800 384 A CA 2.095 54.174 52.037 0.069 0.000 0.707 384 A CB -1.933 17.095 19.000 0.047 0.000 1.405 384 A HN 1.200 nan 8.150 nan 0.000 0.388 388 Y N 1.842 122.105 120.300 -0.061 0.000 2.350 388 Y HA 0.548 5.098 4.550 -0.000 0.000 0.338 388 Y C -0.114 175.801 175.900 0.025 0.000 0.961 388 Y CA -0.864 57.251 58.100 0.025 0.000 1.100 388 Y CB 1.572 40.134 38.460 0.169 0.000 1.179 388 Y HN 0.297 nan 8.280 nan 0.000 0.454 389 M N 5.018 124.750 119.600 0.220 0.000 2.129 389 M HA 0.344 4.824 4.480 -0.000 0.000 0.348 389 M C -1.356 175.089 176.300 0.241 0.000 1.116 389 M CA -0.770 54.638 55.300 0.181 0.000 1.022 389 M CB 1.229 33.902 32.600 0.122 0.000 1.599 389 M HN 0.445 nan 8.290 nan 0.000 0.449 390 L N 5.859 127.247 121.223 0.276 0.000 2.305 390 L HA 0.550 4.889 4.340 -0.000 0.000 0.284 390 L C -1.166 175.873 176.870 0.281 0.000 1.013 390 L CA -0.062 54.947 54.840 0.282 0.000 0.819 390 L CB 0.784 43.016 42.059 0.289 0.000 1.227 390 L HN 0.619 nan 8.230 nan 0.000 0.417 391 N N 6.602 125.427 118.700 0.208 0.000 2.269 391 N HA 0.520 5.260 4.740 -0.000 0.000 0.304 391 N C -1.301 174.242 175.510 0.054 0.000 1.072 391 N CA -0.631 52.501 53.050 0.137 0.000 0.802 391 N CB 2.564 41.078 38.487 0.045 0.000 1.348 391 N HN 0.408 nan 8.380 nan 0.000 0.484 392 I N 3.009 123.583 120.570 0.007 0.000 2.389 392 I HA 0.475 4.645 4.170 -0.000 0.000 0.288 392 I C -0.077 175.785 176.117 -0.425 0.000 0.999 392 I CA -0.428 60.740 61.300 -0.220 0.000 1.129 392 I CB 1.288 39.199 38.000 -0.149 0.000 1.288 392 I HN 0.366 nan 8.210 nan 0.000 0.444 393 I N 5.962 126.182 120.570 -0.584 0.000 2.436 393 I HA 0.410 4.580 4.170 -0.000 0.000 0.289 393 I C -0.852 174.825 176.117 -0.734 0.000 1.010 393 I CA -0.538 60.447 61.300 -0.525 0.000 1.098 393 I CB 1.707 39.486 38.000 -0.368 0.000 1.266 393 I HN 0.228 nan 8.210 nan 0.000 0.434 394 F N 3.987 123.700 119.950 -0.395 0.000 2.450 394 F HA 0.450 4.977 4.527 -0.000 0.000 0.332 394 F C 0.221 176.012 175.800 -0.016 0.000 1.093 394 F CA -0.568 57.175 58.000 -0.429 0.000 1.003 394 F CB 1.294 39.798 39.000 -0.826 0.000 1.151 394 F HN 0.473 nan 8.300 nan 0.000 0.474 395 D N 0.312 120.948 120.400 0.393 0.000 2.533 395 D HA 0.236 4.876 4.640 -0.000 0.000 0.247 395 D C -0.178 176.493 176.300 0.619 0.000 1.056 395 D CA -0.705 53.621 54.000 0.544 0.000 1.054 395 D CB 1.024 41.987 40.800 0.272 0.000 1.400 395 D HN 0.533 nan 8.370 nan 0.000 0.533 396 Q N -0.577 119.475 119.800 0.421 0.000 2.482 396 Q HA 0.235 4.575 4.340 -0.000 0.000 0.209 396 Q C 0.916 177.068 176.000 0.253 0.000 0.961 396 Q CA 0.813 56.785 55.803 0.282 0.000 0.945 396 Q CB 0.229 29.064 28.738 0.162 0.000 1.012 396 Q HN 0.550 nan 8.270 nan 0.000 0.515 397 A N -0.349 122.586 122.820 0.192 0.000 2.423 397 A HA 0.475 4.795 4.320 -0.000 0.000 0.246 397 A C 1.279 178.914 177.584 0.085 0.000 1.278 397 A CA 0.404 52.527 52.037 0.142 0.000 0.903 397 A CB -0.060 19.022 19.000 0.137 0.000 0.997 397 A HN 0.347 nan 8.150 nan 0.000 0.510 398 G N -0.428 108.257 108.800 -0.191 0.000 2.157 398 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.248 398 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.248 398 G C 0.023 175.126 174.900 0.338 0.000 0.979 398 G CA 0.362 45.248 45.100 -0.357 0.000 0.650 398 G HN 0.750 nan 8.290 nan 0.000 0.529 399 E N 0.145 120.532 120.200 0.313 0.000 2.301 399 E HA 0.593 4.943 4.350 -0.000 0.000 0.275 399 E C 0.152 176.816 176.600 0.108 0.000 1.030 399 E CA -0.789 55.750 56.400 0.232 0.000 0.852 399 E CB 0.440 30.209 29.700 0.114 0.000 1.060 399 E HN 0.331 nan 8.360 nan 0.000 0.401 400 I N 4.449 124.999 120.570 -0.034 0.000 2.382 400 I HA 0.364 4.534 4.170 -0.000 0.000 0.286 400 I C -0.199 175.706 176.117 -0.353 0.000 1.002 400 I CA -0.693 60.339 61.300 -0.447 0.000 1.135 400 I CB 1.578 39.306 38.000 -0.453 0.000 1.288 400 I HN 0.384 nan 8.210 nan 0.000 0.448 401 R N 5.906 126.154 120.500 -0.419 0.000 2.338 401 R HA 0.603 4.943 4.340 -0.000 0.000 0.317 401 R C -0.828 175.281 176.300 -0.319 0.000 0.968 401 R CA -0.476 55.454 56.100 -0.284 0.000 0.849 401 R CB 1.628 31.811 30.300 -0.194 0.000 1.128 401 R HN 0.548 nan 8.270 nan 0.000 0.448 402 I N 3.414 123.795 120.570 -0.315 0.000 2.312 402 I HA 0.168 4.338 4.170 -0.000 0.000 0.291 402 I C -0.060 175.913 176.117 -0.239 0.000 1.031 402 I CA -0.136 60.936 61.300 -0.381 0.000 1.293 402 I CB 0.679 38.260 38.000 -0.698 0.000 1.403 402 I HN 0.448 nan 8.210 nan 0.000 0.484 403 H N 6.880 125.819 119.070 -0.219 0.000 2.906 403 H HA 0.472 5.028 4.556 -0.000 0.000 0.324 403 H C -1.717 173.591 175.328 -0.034 0.000 0.973 403 H CA -0.476 55.498 56.048 -0.125 0.000 1.321 403 H CB 1.706 31.393 29.762 -0.126 0.000 1.535 403 H HN 0.279 nan 8.280 nan 0.000 0.518 404 V N 6.718 126.482 119.914 -0.250 0.000 2.459 404 V HA 0.440 4.560 4.120 -0.000 0.000 0.295 404 V C 0.171 176.171 176.094 -0.157 0.000 1.029 404 V CA -0.724 61.548 62.300 -0.047 0.000 0.874 404 V CB 1.623 33.510 31.823 0.108 0.000 0.985 404 V HN 0.660 nan 8.190 nan 0.000 0.438 405 R N 3.064 123.551 120.500 -0.021 0.000 2.387 405 R HA 0.754 5.094 4.340 -0.000 0.000 0.314 405 R C -0.369 175.955 176.300 0.040 0.000 0.958 405 R CA -0.469 55.609 56.100 -0.036 0.000 0.846 405 R CB 2.023 32.320 30.300 -0.004 0.000 1.147 405 R HN 0.791 nan 8.270 nan 0.000 0.447 406 A N 2.213 125.040 122.820 0.012 0.000 2.301 406 A HA 0.534 4.854 4.320 -0.000 0.000 0.298 406 A C 0.113 177.658 177.584 -0.065 0.000 1.185 406 A CA -0.132 51.899 52.037 -0.009 0.000 0.830 406 A CB 1.382 20.404 19.000 0.036 0.000 1.112 406 A HN 0.723 nan 8.150 nan 0.000 0.508 407 T N 0.723 115.199 114.554 -0.131 0.000 2.606 407 T HA 0.726 5.076 4.350 -0.000 0.000 0.280 407 T C 0.598 175.202 174.700 -0.159 0.000 1.074 407 T CA 1.133 63.172 62.100 -0.101 0.000 1.140 407 T CB 0.285 69.101 68.868 -0.087 0.000 1.631 407 T HN 2.674 nan 8.240 nan 0.000 0.464 408 G N 0.515 109.213 108.800 -0.171 0.000 2.499 408 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.232 408 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.232 408 G C -0.766 174.003 174.900 -0.218 0.000 1.251 408 G CA -0.087 44.879 45.100 -0.223 0.000 0.917 408 G HN 0.966 nan 8.290 nan 0.000 0.580 409 I N 0.922 121.333 120.570 -0.264 0.000 2.530 409 I HA 0.433 4.603 4.170 -0.000 0.000 0.297 409 I C 0.808 176.812 176.117 -0.187 0.000 1.011 409 I CA -0.843 60.298 61.300 -0.266 0.000 1.107 409 I CB 1.698 39.415 38.000 -0.472 0.000 1.285 409 I HN 0.491 nan 8.210 nan 0.000 0.436 410 L N 3.354 124.587 121.223 0.017 0.000 2.499 410 L HA 0.035 4.375 4.340 -0.000 0.000 0.281 410 L C 0.824 177.646 176.870 -0.080 0.000 1.234 410 L CA 0.465 55.337 54.840 0.052 0.000 0.839 410 L CB 0.477 42.620 42.059 0.141 0.000 1.104 410 L HN 0.601 nan 8.230 nan 0.000 0.500 411 S N 0.785 116.453 115.700 -0.054 0.000 2.523 411 S HA 0.400 4.870 4.470 -0.000 0.000 0.275 411 S C -0.181 174.334 174.600 -0.141 0.000 1.281 411 S CA -0.701 57.438 58.200 -0.102 0.000 1.050 411 S CB 0.312 63.446 63.200 -0.110 0.000 0.937 411 S HN 0.673 nan 8.310 nan 0.000 0.492 412 T N 2.827 117.348 114.554 -0.056 0.000 2.887 412 T HA 0.761 5.111 4.350 -0.000 0.000 0.288 412 T C -0.616 174.043 174.700 -0.068 0.000 1.021 412 T CA -0.957 61.119 62.100 -0.040 0.000 1.000 412 T CB 1.269 70.185 68.868 0.080 0.000 1.034 412 T HN 0.471 nan 8.240 nan 0.000 0.467 413 M N 2.625 122.110 119.600 -0.191 0.000 2.598 413 M HA 0.569 5.049 4.480 -0.000 0.000 0.317 413 M C -2.513 173.748 176.300 -0.066 0.000 1.179 413 M CA -2.493 52.639 55.300 -0.279 0.000 0.936 413 M CB 2.002 34.205 32.600 -0.663 0.000 1.713 413 M HN 0.436 nan 8.290 nan 0.000 0.460 414 P HA 0.295 nan 4.420 nan 0.000 0.272 414 P C -1.422 175.932 177.300 0.090 0.000 1.223 414 P CA -0.336 62.846 63.100 0.135 0.000 0.784 414 P CB 0.688 32.523 31.700 0.225 0.000 0.923 415 L N 2.097 123.373 121.223 0.089 0.000 2.516 415 L HA 0.450 4.790 4.340 -0.000 0.000 0.267 415 L C -0.873 176.006 176.870 0.014 0.000 0.957 415 L CA -0.436 54.421 54.840 0.027 0.000 0.860 415 L CB 1.484 43.532 42.059 -0.018 0.000 1.265 415 L HN 0.117 nan 8.230 nan 0.000 0.403 416 D N 3.201 123.593 120.400 -0.013 0.000 2.411 416 D HA 0.233 4.872 4.640 -0.000 0.000 0.251 416 D C -0.252 176.004 176.300 -0.073 0.000 1.201 416 D CA -0.256 53.704 54.000 -0.066 0.000 0.996 416 D CB 0.795 41.557 40.800 -0.064 0.000 1.101 416 D HN 0.446 nan 8.370 nan 0.000 0.504 417 K N 0.972 121.313 120.400 -0.099 0.000 2.524 417 K HA -0.059 4.261 4.320 -0.000 0.000 0.279 417 K C -0.246 176.315 176.600 -0.066 0.000 0.993 417 K CA 0.475 56.712 56.287 -0.083 0.000 1.030 417 K CB 0.214 32.657 32.500 -0.095 0.000 0.891 417 K HN 0.337 nan 8.250 nan 0.000 0.488 418 D N -0.240 120.126 120.400 -0.057 0.000 2.945 418 D HA -0.153 4.487 4.640 -0.000 0.000 0.225 418 D C -0.758 175.508 176.300 -0.056 0.000 1.158 418 D CA 0.702 54.671 54.000 -0.052 0.000 0.805 418 D CB -1.184 39.587 40.800 -0.048 0.000 1.098 418 D HN 0.092 nan 8.370 nan 0.000 0.426 419 V N 0.245 120.122 119.914 -0.063 0.000 2.581 419 V HA 0.718 4.838 4.120 -0.000 0.000 0.303 419 V C 0.826 176.860 176.094 -0.099 0.000 1.041 419 V CA -0.019 62.237 62.300 -0.074 0.000 0.907 419 V CB 2.239 34.025 31.823 -0.061 0.000 0.994 419 V HN 0.311 nan 8.190 nan 0.000 0.442 420 T N 1.075 115.550 114.554 -0.131 0.000 2.901 420 T HA 0.850 5.199 4.350 -0.000 0.000 0.293 420 T C -1.141 173.380 174.700 -0.299 0.000 1.084 420 T CA -0.794 61.194 62.100 -0.187 0.000 1.008 420 T CB 1.993 70.768 68.868 -0.155 0.000 1.170 420 T HN 0.422 nan 8.240 nan 0.000 0.509 421 V N 2.247 121.889 119.914 -0.454 0.000 2.888 421 V HA 0.563 4.683 4.120 -0.000 0.000 0.309 421 V C -1.822 173.750 176.094 -0.870 0.000 1.114 421 V CA -1.946 59.839 62.300 -0.859 0.000 0.940 421 V CB 2.899 34.159 31.823 -0.938 0.000 1.021 421 V HN 0.927 nan 8.190 nan 0.000 0.426 422 P HA 0.047 nan 4.420 nan 0.000 0.251 422 P C 0.415 177.464 177.300 -0.418 0.000 1.223 422 P CA 0.411 63.234 63.100 -0.463 0.000 0.796 422 P CB 0.063 31.630 31.700 -0.221 0.000 1.068 423 W N -0.274 120.795 121.300 -0.384 0.000 3.194 423 W HA 0.712 5.372 4.660 -0.000 0.000 0.408 423 W C 0.016 175.764 176.519 -1.285 0.000 1.072 423 W CA -0.528 56.398 57.345 -0.698 0.000 1.953 423 W CB -0.096 29.207 29.460 -0.262 0.000 1.091 423 W HN -0.091 nan 8.180 nan 0.000 0.699 424 G N -0.242 107.793 108.800 -1.274 0.000 2.646 424 G HA2 0.509 4.469 3.960 -0.000 0.000 0.291 424 G HA3 0.509 4.469 3.960 -0.000 0.000 0.291 424 G C -1.372 173.291 174.900 -0.395 0.000 1.445 424 G CA -0.811 43.841 45.100 -0.747 0.000 0.814 424 G HN -0.152 nan 8.290 nan 0.000 0.495 425 T N 0.943 115.438 114.554 -0.099 0.000 2.823 425 T HA 0.404 4.754 4.350 -0.000 0.000 0.279 425 T C 0.122 174.768 174.700 -0.090 0.000 0.998 425 T CA -0.553 61.533 62.100 -0.023 0.000 0.994 425 T CB 1.052 69.975 68.868 0.093 0.000 0.960 425 T HN 0.502 nan 8.240 nan 0.000 0.448 426 N N 1.297 119.940 118.700 -0.095 0.000 2.497 426 N HA 0.292 5.032 4.740 -0.000 0.000 0.268 426 N C 0.970 176.421 175.510 -0.097 0.000 1.171 426 N CA -0.447 52.539 53.050 -0.107 0.000 0.948 426 N CB 1.012 39.449 38.487 -0.084 0.000 1.069 426 N HN 0.470 nan 8.380 nan 0.000 0.460 427 V N -1.147 118.660 119.914 -0.178 0.000 3.432 427 V HA 0.550 4.670 4.120 -0.000 0.000 0.298 427 V C 0.615 176.626 176.094 -0.139 0.000 1.464 427 V CA -0.164 62.021 62.300 -0.192 0.000 1.046 427 V CB 0.181 31.758 31.823 -0.411 0.000 0.887 427 V HN 0.647 nan 8.190 nan 0.000 0.441 428 G N -0.357 108.380 108.800 -0.105 0.000 2.649 428 G HA2 0.567 4.527 3.960 -0.000 0.000 0.290 428 G HA3 0.567 4.527 3.960 -0.000 0.000 0.290 428 G C -2.656 172.257 174.900 0.021 0.000 1.426 428 G CA -0.472 44.649 45.100 0.035 0.000 0.794 428 G HN -0.054 nan 8.290 nan 0.000 0.483 429 P HA -0.054 nan 4.420 nan 0.000 0.216 429 P C 0.857 178.163 177.300 0.011 0.000 1.153 429 P CA 1.016 64.130 63.100 0.024 0.000 0.858 429 P CB 0.274 31.993 31.700 0.032 0.000 0.789 430 R N -1.007 119.518 120.500 0.041 0.000 2.734 430 R HA 0.434 4.774 4.340 -0.000 0.000 0.395 430 R C -0.945 175.403 176.300 0.080 0.000 1.096 430 R CA -0.212 55.924 56.100 0.060 0.000 1.071 430 R CB 0.900 31.264 30.300 0.107 0.000 1.348 430 R HN 0.056 nan 8.270 nan 0.000 0.600 431 V N 0.893 120.808 119.914 0.001 0.000 2.752 431 V HA 0.504 4.624 4.120 -0.000 0.000 0.302 431 V C -1.214 174.786 176.094 -0.156 0.000 1.133 431 V CA -0.746 61.523 62.300 -0.051 0.000 0.919 431 V CB 2.279 34.066 31.823 -0.061 0.000 1.026 431 V HN 0.215 nan 8.190 nan 0.000 0.429 432 M N 6.353 125.864 119.600 -0.148 0.000 2.508 432 M HA 0.864 5.344 4.480 -0.000 0.000 0.327 432 M C -0.642 175.536 176.300 -0.203 0.000 1.160 432 M CA -0.362 54.832 55.300 -0.178 0.000 0.980 432 M CB 1.889 34.398 32.600 -0.152 0.000 1.693 432 M HN 0.946 nan 8.290 nan 0.000 0.452 433 A N 3.698 126.412 122.820 -0.176 0.000 2.267 433 A HA 0.754 5.074 4.320 -0.000 0.000 0.315 433 A C -0.249 177.320 177.584 -0.026 0.000 1.297 433 A CA -0.559 51.411 52.037 -0.112 0.000 0.865 433 A CB 0.192 19.139 19.000 -0.089 0.000 1.165 433 A HN 1.015 nan 8.150 nan 0.000 0.513 434 A N 2.406 125.227 122.820 0.001 0.000 2.351 434 A HA 0.552 4.872 4.320 -0.000 0.000 0.257 434 A C -0.131 177.643 177.584 0.318 0.000 1.087 434 A CA -0.272 51.817 52.037 0.088 0.000 0.798 434 A CB -0.001 19.052 19.000 0.089 0.000 1.033 434 A HN 0.756 nan 8.150 nan 0.000 0.488 435 Y N 2.322 122.707 120.300 0.142 0.000 2.578 435 Y HA 0.291 4.841 4.550 -0.000 0.000 0.339 435 Y C 1.265 177.146 175.900 -0.032 0.000 1.231 435 Y CA 0.212 58.325 58.100 0.021 0.000 1.461 435 Y CB 0.509 38.975 38.460 0.010 0.000 1.323 435 Y HN 0.886 nan 8.280 nan 0.000 0.590 436 H N -0.323 118.593 119.070 -0.257 0.000 2.918 436 H HA 0.414 4.970 4.556 -0.000 0.000 0.303 436 H C -1.899 173.131 175.328 -0.496 0.000 1.380 436 H CA -1.366 54.336 56.048 -0.577 0.000 1.134 436 H CB 1.286 30.207 29.762 -1.402 0.000 1.842 436 H HN 0.621 nan 8.280 nan 0.000 0.533 437 Q N 0.503 120.009 119.800 -0.491 0.000 2.377 437 Q HA 0.340 4.680 4.340 -0.000 0.000 0.271 437 Q C -0.923 174.802 176.000 -0.458 0.000 1.077 437 Q CA -0.898 54.630 55.803 -0.459 0.000 0.820 437 Q CB 2.633 31.208 28.738 -0.271 0.000 1.347 437 Q HN 0.518 nan 8.270 nan 0.000 0.444 438 H N 2.664 121.598 119.070 -0.226 0.000 2.581 438 H HA 0.343 4.899 4.556 -0.000 0.000 0.308 438 H C -0.596 174.711 175.328 -0.035 0.000 1.040 438 H CA -0.438 55.583 56.048 -0.046 0.000 1.231 438 H CB 0.845 30.683 29.762 0.126 0.000 1.396 438 H HN 0.350 nan 8.280 nan 0.000 0.467 439 M N 4.934 124.560 119.600 0.044 0.000 2.036 439 M HA 0.233 4.713 4.480 -0.000 0.000 0.337 439 M C -0.708 175.722 176.300 0.216 0.000 1.012 439 M CA -0.877 54.474 55.300 0.084 0.000 0.962 439 M CB 0.938 33.493 32.600 -0.075 0.000 1.423 439 M HN 0.301 nan 8.290 nan 0.000 0.405 440 L N 1.567 122.881 121.223 0.152 0.000 2.343 440 L HA 0.576 4.916 4.340 -0.000 0.000 0.275 440 L C 0.595 177.437 176.870 -0.047 0.000 1.056 440 L CA -0.042 54.764 54.840 -0.056 0.000 0.804 440 L CB 1.698 43.655 42.059 -0.170 0.000 1.203 440 L HN 0.683 nan 8.230 nan 0.000 0.440 441 S N 1.907 117.354 115.700 -0.422 0.000 2.552 441 S HA 0.669 5.139 4.470 -0.000 0.000 0.314 441 S C -1.064 173.276 174.600 -0.432 0.000 1.099 441 S CA -0.443 57.538 58.200 -0.365 0.000 1.070 441 S CB 0.124 62.848 63.200 -0.793 0.000 0.998 441 S HN 0.278 nan 8.310 nan 0.000 0.474 442 F N 3.775 123.695 119.950 -0.050 0.000 2.415 442 F HA 0.499 5.026 4.527 -0.000 0.000 0.348 442 F C 0.750 176.479 175.800 -0.119 0.000 1.119 442 F CA -0.715 57.225 58.000 -0.101 0.000 1.069 442 F CB 1.268 40.213 39.000 -0.091 0.000 1.124 442 F HN 0.462 nan 8.300 nan 0.000 0.472 443 R N 5.157 125.588 120.500 -0.115 0.000 2.207 443 R HA 0.601 4.941 4.340 -0.000 0.000 0.334 443 R C -1.386 174.723 176.300 -0.318 0.000 1.013 443 R CA -0.320 55.513 56.100 -0.444 0.000 0.858 443 R CB 0.375 30.232 30.300 -0.738 0.000 1.094 443 R HN 0.729 nan 8.270 nan 0.000 0.457 444 I N 4.006 124.404 120.570 -0.285 0.000 2.390 444 I HA 0.140 4.310 4.170 -0.000 0.000 0.283 444 I C -0.677 175.351 176.117 -0.149 0.000 1.016 444 I CA -0.693 60.515 61.300 -0.154 0.000 1.151 444 I CB 1.714 39.675 38.000 -0.064 0.000 1.293 444 I HN 0.515 nan 8.210 nan 0.000 0.458 445 D N 9.638 129.976 120.400 -0.103 0.000 2.456 445 D HA 0.273 4.912 4.640 -0.000 0.000 0.219 445 D C -2.408 173.936 176.300 0.074 0.000 1.126 445 D CA -2.045 51.961 54.000 0.010 0.000 0.890 445 D CB 1.102 41.967 40.800 0.107 0.000 1.025 445 D HN 0.144 nan 8.370 nan 0.000 0.511 446 P HA 0.341 nan 4.420 nan 0.000 0.281 446 P C -1.029 176.319 177.300 0.081 0.000 1.249 446 P CA -0.741 62.389 63.100 0.050 0.000 0.810 446 P CB 1.710 33.441 31.700 0.052 0.000 1.008 447 A N 2.514 125.357 122.820 0.038 0.000 3.365 447 A HA 0.309 4.629 4.320 -0.000 0.000 0.258 447 A C -0.294 177.238 177.584 -0.087 0.000 0.964 447 A CA -0.429 51.594 52.037 -0.023 0.000 0.988 447 A CB -0.210 18.787 19.000 -0.006 0.000 1.193 447 A HN 0.254 nan 8.150 nan 0.000 0.508 448 V N 1.842 121.760 119.914 0.007 0.000 2.400 448 V HA 0.096 4.216 4.120 -0.000 0.000 0.263 448 V C 1.008 177.189 176.094 0.145 0.000 1.026 448 V CA 1.053 63.432 62.300 0.130 0.000 1.077 448 V CB -0.223 31.728 31.823 0.213 0.000 1.054 448 V HN 0.839 nan 8.190 nan 0.000 0.477 449 D N 3.470 123.981 120.400 0.185 0.000 3.012 449 D HA -0.129 4.511 4.640 -0.000 0.000 0.222 449 D C 0.380 176.614 176.300 -0.110 0.000 1.167 449 D CA 1.903 55.908 54.000 0.008 0.000 0.854 449 D CB -1.012 39.692 40.800 -0.161 0.000 1.107 449 D HN 1.266 nan 8.370 nan 0.000 0.421 450 G N -2.366 106.296 108.800 -0.229 0.000 2.369 450 G HA2 0.144 4.104 3.960 -0.000 0.000 0.293 450 G HA3 0.144 4.104 3.960 -0.000 0.000 0.293 450 G C -0.289 174.356 174.900 -0.424 0.000 1.301 450 G CA -0.321 44.569 45.100 -0.349 0.000 0.913 450 G HN 0.072 nan 8.290 nan 0.000 0.540 451 Y N 0.612 120.930 120.300 0.030 0.000 2.467 451 Y HA 0.371 4.921 4.550 -0.000 0.000 0.250 451 Y C 0.991 176.892 175.900 0.001 0.000 1.155 451 Y CA 0.049 58.149 58.100 -0.000 0.000 1.249 451 Y CB 0.894 39.335 38.460 -0.032 0.000 1.146 451 Y HN 0.329 nan 8.280 nan 0.000 0.524 452 E N 1.238 121.500 120.200 0.103 0.000 2.129 452 E HA 0.334 4.683 4.350 -0.000 0.000 0.268 452 E C -0.973 175.667 176.600 0.066 0.000 0.900 452 E CA -0.396 56.053 56.400 0.083 0.000 0.755 452 E CB 1.203 30.943 29.700 0.068 0.000 1.117 452 E HN 0.347 nan 8.360 nan 0.000 0.410 453 N N 0.975 119.721 118.700 0.076 0.000 2.405 453 N HA 0.486 5.226 4.740 -0.000 0.000 0.285 453 N C -1.254 174.306 175.510 0.084 0.000 1.262 453 N CA -0.696 52.403 53.050 0.081 0.000 0.773 453 N CB 2.338 40.879 38.487 0.090 0.000 1.490 453 N HN 0.184 nan 8.380 nan 0.000 0.486 454 T N 0.569 115.175 114.554 0.088 0.000 2.893 454 T HA 0.339 4.689 4.350 -0.000 0.000 0.293 454 T C -0.620 174.141 174.700 0.102 0.000 1.027 454 T CA -0.469 61.682 62.100 0.086 0.000 0.988 454 T CB 1.931 70.838 68.868 0.066 0.000 1.043 454 T HN 0.060 nan 8.240 nan 0.000 0.461 455 V N 3.700 123.681 119.914 0.111 0.000 2.509 455 V HA 0.708 4.828 4.120 -0.000 0.000 0.284 455 V C 0.344 176.514 176.094 0.125 0.000 1.047 455 V CA -0.344 62.038 62.300 0.136 0.000 0.952 455 V CB 1.096 33.011 31.823 0.155 0.000 0.988 455 V HN 0.803 nan 8.190 nan 0.000 0.469 456 V N 2.536 122.536 119.914 0.143 0.000 3.156 456 V HA 0.874 4.994 4.120 -0.000 0.000 0.310 456 V C -1.172 175.065 176.094 0.238 0.000 1.234 456 V CA -1.079 61.269 62.300 0.080 0.000 1.065 456 V CB 2.277 34.091 31.823 -0.014 0.000 1.088 456 V HN 0.812 nan 8.190 nan 0.000 0.451 457 F N -0.837 119.161 119.950 0.080 0.000 2.591 457 F HA 0.909 5.436 4.527 -0.000 0.000 0.309 457 F C -1.267 174.547 175.800 0.024 0.000 1.098 457 F CA -0.844 57.207 58.000 0.085 0.000 0.937 457 F CB 1.578 40.691 39.000 0.190 0.000 1.250 457 F HN 0.436 nan 8.300 nan 0.000 0.447 458 D N 2.266 122.743 120.400 0.128 0.000 2.278 458 D HA 0.359 4.999 4.640 -0.000 0.000 0.245 458 D C -1.088 175.257 176.300 0.075 0.000 1.052 458 D CA -0.133 53.886 54.000 0.032 0.000 0.834 458 D CB 2.035 42.812 40.800 -0.039 0.000 1.194 458 D HN 0.519 nan 8.370 nan 0.000 0.481 459 D N 0.364 120.811 120.400 0.079 0.000 2.269 459 D HA 0.425 5.065 4.640 -0.000 0.000 0.244 459 D C -0.451 175.886 176.300 0.062 0.000 0.992 459 D CA -0.544 53.502 54.000 0.076 0.000 0.894 459 D CB 2.617 43.480 40.800 0.106 0.000 1.248 459 D HN -0.034 nan 8.370 nan 0.000 0.468 460 V N 2.369 122.312 119.914 0.049 0.000 2.409 460 V HA 0.496 4.616 4.120 -0.000 0.000 0.291 460 V C -0.195 175.928 176.094 0.049 0.000 1.020 460 V CA -0.586 61.758 62.300 0.074 0.000 0.848 460 V CB 1.480 33.325 31.823 0.036 0.000 0.990 460 V HN 0.381 nan 8.190 nan 0.000 0.430 461 I N 3.715 124.345 120.570 0.101 0.000 2.769 461 I HA 0.490 4.660 4.170 -0.000 0.000 0.298 461 I C 0.236 176.430 176.117 0.128 0.000 1.128 461 I CA -0.453 60.897 61.300 0.082 0.000 1.031 461 I CB 2.381 40.428 38.000 0.078 0.000 1.235 461 I HN 0.492 nan 8.210 nan 0.000 0.423 462 R N 5.248 125.805 120.500 0.095 0.000 2.570 462 R HA 0.304 4.644 4.340 -0.000 0.000 0.277 462 R C -0.455 175.915 176.300 0.117 0.000 1.039 462 R CA -0.017 56.157 56.100 0.124 0.000 1.065 462 R CB 0.338 30.683 30.300 0.076 0.000 0.964 462 R HN 0.535 nan 8.270 nan 0.000 0.428 463 M N 1.698 121.376 119.600 0.130 0.000 2.243 463 M HA 0.017 4.497 4.480 -0.000 0.000 0.341 463 M C 0.695 177.032 176.300 0.063 0.000 1.130 463 M CA 0.362 55.713 55.300 0.083 0.000 1.162 463 M CB 0.501 33.145 32.600 0.073 0.000 1.497 463 M HN 0.477 nan 8.290 nan 0.000 0.456 464 E N 3.026 123.252 120.200 0.044 0.000 2.608 464 E HA -0.080 4.270 4.350 -0.000 0.000 0.259 464 E C -0.543 176.073 176.600 0.027 0.000 0.951 464 E CA 0.303 56.721 56.400 0.031 0.000 0.945 464 E CB 0.583 30.295 29.700 0.021 0.000 0.916 464 E HN 0.456 nan 8.360 nan 0.000 0.477 465 K N 3.684 124.098 120.400 0.023 0.000 2.107 465 K HA 0.160 4.479 4.320 -0.000 0.000 0.251 465 K C -0.045 176.553 176.600 -0.003 0.000 1.012 465 K CA -0.557 55.739 56.287 0.016 0.000 0.920 465 K CB 0.572 33.084 32.500 0.019 0.000 1.033 465 K HN 0.475 nan 8.250 nan 0.000 0.478 466 N N 0.158 118.845 118.700 -0.021 0.000 2.725 466 N HA -0.164 4.575 4.740 -0.000 0.000 0.251 466 N C -0.893 174.593 175.510 -0.041 0.000 1.031 466 N CA 1.553 54.576 53.050 -0.044 0.000 0.720 466 N CB -1.792 36.675 38.487 -0.033 0.000 0.930 466 N HN 0.956 nan 8.380 nan 0.000 0.543 467 T N -3.650 110.882 114.554 -0.038 0.000 2.949 467 T HA 0.594 4.944 4.350 -0.000 0.000 0.287 467 T C 1.392 176.064 174.700 -0.046 0.000 1.034 467 T CA -0.758 61.323 62.100 -0.031 0.000 1.018 467 T CB 1.752 70.612 68.868 -0.014 0.000 1.135 467 T HN -0.126 nan 8.240 nan 0.000 0.532 468 K N 0.236 120.615 120.400 -0.035 0.000 2.148 468 K HA 0.109 4.428 4.320 -0.000 0.000 0.204 468 K C 1.772 178.357 176.600 -0.024 0.000 1.050 468 K CA 0.597 56.862 56.287 -0.036 0.000 0.942 468 K CB -0.950 31.537 32.500 -0.022 0.000 0.724 468 K HN 0.390 nan 8.250 nan 0.000 0.446 469 L N 0.617 121.832 121.223 -0.013 0.000 2.131 469 L HA 0.063 4.403 4.340 -0.000 0.000 0.206 469 L C 0.048 176.921 176.870 0.006 0.000 1.087 469 L CA 1.462 56.301 54.840 -0.001 0.000 0.767 469 L CB -0.275 41.785 42.059 0.002 0.000 0.917 469 L HN 0.219 nan 8.230 nan 0.000 0.441 470 N N -0.243 118.455 118.700 -0.003 0.000 2.886 470 N HA 0.257 4.997 4.740 -0.000 0.000 0.285 470 N C -2.152 173.339 175.510 -0.033 0.000 1.706 470 N CA -1.811 51.245 53.050 0.011 0.000 0.904 470 N CB 0.620 39.122 38.487 0.025 0.000 1.224 470 N HN 0.114 nan 8.380 nan 0.000 0.488 471 P HA -0.011 nan 4.420 nan 0.000 0.236 471 P C 0.032 177.074 177.300 -0.430 0.000 1.177 471 P CA 0.707 63.635 63.100 -0.286 0.000 0.773 471 P CB 0.049 31.495 31.700 -0.424 0.000 0.878 472 Y N -0.245 120.065 120.300 0.016 0.000 2.507 472 Y HA 0.232 4.782 4.550 -0.000 0.000 0.254 472 Y C 0.539 176.455 175.900 0.027 0.000 1.171 472 Y CA -0.370 57.741 58.100 0.019 0.000 1.238 472 Y CB -0.299 38.171 38.460 0.017 0.000 1.148 472 Y HN -0.121 nan 8.280 nan 0.000 0.525 473 N N -0.615 118.154 118.700 0.115 0.000 2.747 473 N HA -0.156 4.584 4.740 -0.000 0.000 0.249 473 N C 0.546 176.128 175.510 0.119 0.000 1.107 473 N CA 1.151 54.257 53.050 0.093 0.000 0.707 473 N CB -1.704 36.825 38.487 0.069 0.000 1.054 473 N HN 0.425 nan 8.380 nan 0.000 0.555 474 V N -3.782 116.215 119.914 0.138 0.000 3.645 474 V HA 0.455 4.575 4.120 -0.000 0.000 0.275 474 V C 1.342 177.545 176.094 0.180 0.000 1.356 474 V CA 0.749 63.141 62.300 0.154 0.000 1.051 474 V CB 0.458 32.359 31.823 0.130 0.000 0.828 474 V HN 0.287 nan 8.190 nan 0.000 0.441 475 G N 1.547 110.423 108.800 0.127 0.000 2.441 475 G HA2 0.470 4.430 3.960 -0.000 0.000 0.243 475 G HA3 0.470 4.430 3.960 -0.000 0.000 0.243 475 G C -0.783 174.241 174.900 0.206 0.000 1.281 475 G CA 0.159 45.306 45.100 0.079 0.000 0.854 475 G HN 0.888 nan 8.290 nan 0.000 0.560 476 F N 0.294 120.265 119.950 0.034 0.000 2.631 476 F HA 0.753 5.280 4.527 -0.000 0.000 0.308 476 F C -0.596 175.224 175.800 0.033 0.000 1.097 476 F CA -1.496 56.523 58.000 0.033 0.000 0.952 476 F CB 1.533 40.554 39.000 0.034 0.000 1.307 476 F HN 0.647 nan 8.300 nan 0.000 0.450 477 V N -1.378 118.706 119.914 0.284 0.000 3.160 477 V HA 0.919 5.039 4.120 -0.000 0.000 0.310 477 V C -0.474 175.729 176.094 0.182 0.000 1.181 477 V CA -0.516 61.873 62.300 0.147 0.000 1.047 477 V CB 1.319 33.191 31.823 0.081 0.000 1.068 477 V HN 1.175 nan 8.190 nan 0.000 0.441 478 T N -0.190 114.438 114.554 0.123 0.000 2.929 478 T HA 0.807 5.157 4.350 -0.000 0.000 0.284 478 T C -0.527 174.212 174.700 0.064 0.000 1.014 478 T CA -0.407 61.754 62.100 0.101 0.000 1.051 478 T CB 1.560 70.485 68.868 0.095 0.000 1.028 478 T HN 1.270 nan 8.240 nan 0.000 0.485 479 E N 0.843 121.070 120.200 0.046 0.000 2.340 479 E HA 0.556 4.906 4.350 -0.000 0.000 0.273 479 E C -1.024 175.561 176.600 -0.024 0.000 0.891 479 E CA -1.280 55.129 56.400 0.015 0.000 0.757 479 E CB 2.124 31.835 29.700 0.019 0.000 1.231 479 E HN 0.737 nan 8.360 nan 0.000 0.439 480 R N 1.320 121.782 120.500 -0.063 0.000 2.589 480 R HA 0.473 4.813 4.340 -0.000 0.000 0.293 480 R C -1.219 174.935 176.300 -0.243 0.000 0.963 480 R CA -0.294 55.723 56.100 -0.139 0.000 0.905 480 R CB 2.120 32.368 30.300 -0.086 0.000 1.144 480 R HN 0.629 nan 8.270 nan 0.000 0.459 481 T N 3.143 117.389 114.554 -0.514 0.000 2.807 481 T HA 0.326 4.676 4.350 -0.000 0.000 0.279 481 T C -0.772 173.588 174.700 -0.567 0.000 0.993 481 T CA -0.563 61.157 62.100 -0.633 0.000 0.970 481 T CB 1.678 69.901 68.868 -1.074 0.000 0.950 481 T HN 0.285 nan 8.240 nan 0.000 0.441 482 V N 3.669 123.420 119.914 -0.272 0.000 2.481 482 V HA 0.303 4.423 4.120 -0.000 0.000 0.286 482 V C 0.165 176.224 176.094 -0.058 0.000 1.042 482 V CA -0.674 61.548 62.300 -0.130 0.000 0.928 482 V CB 1.712 33.499 31.823 -0.061 0.000 0.986 482 V HN 0.702 nan 8.190 nan 0.000 0.462 483 V N 5.319 125.250 119.914 0.028 0.000 2.408 483 V HA 0.238 4.358 4.120 -0.000 0.000 0.267 483 V C 0.967 177.097 176.094 0.061 0.000 1.047 483 V CA -0.087 62.264 62.300 0.084 0.000 0.937 483 V CB 1.015 32.923 31.823 0.141 0.000 0.999 483 V HN 0.933 nan 8.190 nan 0.000 0.472 484 E N 3.549 123.777 120.200 0.047 0.000 2.251 484 E HA 0.106 4.456 4.350 -0.000 0.000 0.194 484 E C 0.508 177.139 176.600 0.053 0.000 0.964 484 E CA 0.467 56.892 56.400 0.041 0.000 0.868 484 E CB 0.564 30.280 29.700 0.027 0.000 0.828 484 E HN 0.759 nan 8.360 nan 0.000 0.481 485 K N 0.473 120.906 120.400 0.055 0.000 2.466 485 K HA 0.530 4.850 4.320 -0.000 0.000 0.260 485 K C -3.048 173.602 176.600 0.082 0.000 1.011 485 K CA -2.258 54.069 56.287 0.066 0.000 0.871 485 K CB 0.766 33.298 32.500 0.054 0.000 1.404 485 K HN -0.345 nan 8.250 nan 0.000 0.450 486 P HA 0.125 nan 4.420 nan 0.000 0.264 486 P C -0.171 177.204 177.300 0.126 0.000 1.179 486 P CA 0.789 63.977 63.100 0.147 0.000 0.763 486 P CB 0.397 32.191 31.700 0.156 0.000 0.806 487 G N 1.340 110.239 108.800 0.164 0.000 2.368 487 G HA2 0.397 4.357 3.960 -0.000 0.000 0.269 487 G HA3 0.397 4.357 3.960 -0.000 0.000 0.269 487 G C -2.053 172.835 174.900 -0.019 0.000 1.291 487 G CA -0.656 44.491 45.100 0.078 0.000 0.903 487 G HN 0.496 nan 8.290 nan 0.000 0.483 488 Y N -1.218 118.853 120.300 -0.383 0.000 2.602 488 Y HA 0.854 5.404 4.550 -0.000 0.000 0.342 488 Y C -0.404 175.204 175.900 -0.487 0.000 1.029 488 Y CA -1.693 55.949 58.100 -0.763 0.000 1.080 488 Y CB 1.574 39.028 38.460 -1.676 0.000 1.284 488 Y HN 0.517 nan 8.280 nan 0.000 0.485 489 V N 2.055 121.762 119.914 -0.345 0.000 2.547 489 V HA 0.307 4.427 4.120 -0.000 0.000 0.299 489 V C -0.202 175.751 176.094 -0.236 0.000 1.040 489 V CA -1.065 60.993 62.300 -0.404 0.000 0.913 489 V CB 1.447 32.914 31.823 -0.593 0.000 0.992 489 V HN 0.851 nan 8.190 nan 0.000 0.449 490 E N 2.226 122.291 120.200 -0.225 0.000 2.373 490 E HA 0.271 4.621 4.350 -0.000 0.000 0.263 490 E C -0.520 176.015 176.600 -0.108 0.000 1.073 490 E CA -0.394 55.955 56.400 -0.086 0.000 0.894 490 E CB 0.897 30.567 29.700 -0.050 0.000 1.008 490 E HN 0.595 nan 8.360 nan 0.000 0.420 491 Q N 0.704 120.475 119.800 -0.049 0.000 2.299 491 Q HA 0.249 4.589 4.340 -0.000 0.000 0.246 491 Q C -0.463 175.489 176.000 -0.080 0.000 0.935 491 Q CA -0.008 55.778 55.803 -0.028 0.000 0.887 491 Q CB 1.334 30.051 28.738 -0.035 0.000 1.223 491 Q HN 0.259 nan 8.270 nan 0.000 0.439 492 S N 1.870 117.497 115.700 -0.122 0.000 2.564 492 S HA 0.225 4.695 4.470 -0.000 0.000 0.141 492 S C -2.117 172.330 174.600 -0.255 0.000 1.474 492 S CA -1.148 56.963 58.200 -0.147 0.000 1.236 492 S CB 0.507 63.671 63.200 -0.059 0.000 1.481 492 S HN 0.437 nan 8.310 nan 0.000 0.397 493 P HA -0.014 nan 4.420 nan 0.000 0.220 493 P C 0.953 177.972 177.300 -0.469 0.000 1.148 493 P CA 0.936 63.712 63.100 -0.540 0.000 0.803 493 P CB -0.187 31.020 31.700 -0.822 0.000 0.782 494 F N 0.494 120.423 119.950 -0.035 0.000 2.811 494 F HA 0.038 4.565 4.527 -0.000 0.000 0.301 494 F C 1.777 177.551 175.800 -0.044 0.000 1.151 494 F CA 0.926 58.903 58.000 -0.039 0.000 1.412 494 F CB -0.858 38.125 39.000 -0.029 0.000 1.113 494 F HN -0.024 nan 8.300 nan 0.000 0.579 495 T N -4.169 110.412 114.554 0.045 0.000 3.176 495 T HA 0.154 4.504 4.350 -0.000 0.000 0.263 495 T C 0.571 175.254 174.700 -0.028 0.000 1.021 495 T CA -0.287 61.825 62.100 0.020 0.000 0.905 495 T CB -0.533 68.359 68.868 0.039 0.000 1.057 495 T HN 0.151 nan 8.240 nan 0.000 0.558 496 N N 1.682 120.341 118.700 -0.067 0.000 2.721 496 N HA -0.196 4.543 4.740 -0.000 0.000 0.249 496 N C 0.030 175.469 175.510 -0.120 0.000 1.072 496 N CA 0.388 53.380 53.050 -0.095 0.000 0.710 496 N CB -1.312 37.134 38.487 -0.068 0.000 0.993 496 N HN 0.703 nan 8.380 nan 0.000 0.547 497 R N 0.241 120.658 120.500 -0.139 0.000 2.537 497 R HA 0.104 4.444 4.340 -0.000 0.000 0.281 497 R C -0.472 175.639 176.300 -0.315 0.000 0.988 497 R CA 0.821 56.830 56.100 -0.151 0.000 1.077 497 R CB 0.272 30.479 30.300 -0.155 0.000 0.932 497 R HN 0.228 nan 8.270 nan 0.000 0.409 498 S N 4.470 120.031 115.700 -0.232 0.000 2.659 498 S HA 0.339 4.809 4.470 -0.000 0.000 0.312 498 S C -1.243 173.265 174.600 -0.154 0.000 1.114 498 S CA -0.731 57.286 58.200 -0.306 0.000 1.063 498 S CB 0.460 63.523 63.200 -0.228 0.000 0.996 498 S HN 0.511 nan 8.310 nan 0.000 0.478 499 Y N 3.751 124.073 120.300 0.037 0.000 2.335 499 Y HA 0.497 5.047 4.550 -0.000 0.000 0.331 499 Y C 0.875 176.807 175.900 0.054 0.000 1.094 499 Y CA -0.589 57.565 58.100 0.090 0.000 1.253 499 Y CB 0.806 39.306 38.460 0.067 0.000 1.203 499 Y HN 0.378 nan 8.280 nan 0.000 0.508 500 K N 3.194 123.728 120.400 0.225 0.000 2.482 500 K HA 0.622 4.942 4.320 -0.000 0.000 0.257 500 K C -1.668 175.034 176.600 0.171 0.000 0.969 500 K CA -1.066 55.307 56.287 0.144 0.000 0.842 500 K CB 2.614 35.145 32.500 0.051 0.000 1.359 500 K HN 0.443 nan 8.250 nan 0.000 0.441 501 I N 2.922 123.599 120.570 0.179 0.000 2.362 501 I HA 0.375 4.545 4.170 -0.000 0.000 0.289 501 I C -0.051 176.178 176.117 0.186 0.000 0.994 501 I CA -0.506 60.895 61.300 0.170 0.000 1.158 501 I CB 1.246 39.340 38.000 0.156 0.000 1.315 501 I HN 0.503 nan 8.210 nan 0.000 0.451 502 I N 2.312 122.974 120.570 0.152 0.000 2.863 502 I HA 0.606 4.776 4.170 -0.000 0.000 0.311 502 I C -0.733 175.455 176.117 0.120 0.000 1.026 502 I CA -0.703 60.687 61.300 0.151 0.000 1.077 502 I CB 2.036 40.112 38.000 0.126 0.000 1.262 502 I HN 0.600 nan 8.210 nan 0.000 0.461 503 N N 2.407 121.169 118.700 0.104 0.000 2.564 503 N HA 0.228 4.968 4.740 -0.000 0.000 0.248 503 N C 0.192 175.728 175.510 0.042 0.000 0.986 503 N CA -0.496 52.593 53.050 0.064 0.000 0.921 503 N CB 0.958 39.473 38.487 0.046 0.000 1.136 503 N HN 0.678 nan 8.380 nan 0.000 0.509 504 E N 1.399 121.624 120.200 0.041 0.000 2.463 504 E HA -0.125 4.225 4.350 -0.000 0.000 0.201 504 E C 0.386 176.996 176.600 0.016 0.000 1.045 504 E CA 0.594 57.012 56.400 0.030 0.000 0.872 504 E CB 0.133 29.851 29.700 0.030 0.000 0.797 504 E HN 0.634 nan 8.360 nan 0.000 0.538 505 N N 0.631 119.337 118.700 0.011 0.000 2.325 505 N HA 0.022 4.762 4.740 -0.000 0.000 0.182 505 N C -0.092 175.408 175.510 -0.016 0.000 1.088 505 N CA 0.426 53.477 53.050 0.001 0.000 0.879 505 N CB 0.604 39.094 38.487 0.006 0.000 0.983 505 N HN 0.034 nan 8.380 nan 0.000 0.471 506 K N 1.387 121.770 120.400 -0.028 0.000 2.502 506 K HA 0.381 4.701 4.320 -0.000 0.000 0.254 506 K C -0.891 175.671 176.600 -0.062 0.000 0.947 506 K CA -0.562 55.689 56.287 -0.060 0.000 0.834 506 K CB 2.345 34.786 32.500 -0.097 0.000 1.112 506 K HN -0.173 nan 8.250 nan 0.000 0.427 507 I N 2.271 122.805 120.570 -0.060 0.000 2.377 507 I HA 0.157 4.327 4.170 -0.000 0.000 0.293 507 I C 0.322 176.398 176.117 -0.070 0.000 0.987 507 I CA -1.018 60.254 61.300 -0.047 0.000 1.185 507 I CB 1.241 39.222 38.000 -0.031 0.000 1.341 507 I HN 0.609 nan 8.210 nan 0.000 0.455 508 N N 8.303 126.961 118.700 -0.069 0.000 2.468 508 N HA 0.144 4.884 4.740 -0.000 0.000 0.265 508 N C -1.602 173.869 175.510 -0.066 0.000 1.199 508 N CA -0.833 52.166 53.050 -0.086 0.000 0.928 508 N CB 1.024 39.458 38.487 -0.088 0.000 1.059 508 N HN 0.345 nan 8.380 nan 0.000 0.467 509 P HA -0.073 nan 4.420 nan 0.000 0.236 509 P C 0.622 177.895 177.300 -0.045 0.000 1.177 509 P CA 0.667 63.736 63.100 -0.050 0.000 0.773 509 P CB 0.365 32.035 31.700 -0.049 0.000 0.878 510 I N 0.434 120.974 120.570 -0.050 0.000 2.512 510 I HA -0.067 4.103 4.170 -0.000 0.000 0.247 510 I C 2.415 178.502 176.117 -0.050 0.000 1.094 510 I CA 1.527 62.798 61.300 -0.048 0.000 1.427 510 I CB -1.572 36.398 38.000 -0.050 0.000 1.149 510 I HN 0.052 nan 8.210 nan 0.000 0.438 511 S N 0.299 115.962 115.700 -0.062 0.000 2.470 511 S HA -0.042 4.428 4.470 -0.000 0.000 0.225 511 S C 1.001 175.579 174.600 -0.037 0.000 1.006 511 S CA 0.268 58.432 58.200 -0.059 0.000 0.934 511 S CB 0.089 63.233 63.200 -0.093 0.000 0.778 511 S HN 0.227 nan 8.310 nan 0.000 0.517 512 K N 0.033 120.412 120.400 -0.036 0.000 3.291 512 K HA -0.054 4.266 4.320 -0.000 0.000 0.290 512 K C -0.780 175.813 176.600 -0.012 0.000 1.235 512 K CA 0.809 57.081 56.287 -0.024 0.000 0.848 512 K CB -1.478 31.011 32.500 -0.018 0.000 1.295 512 K HN 0.393 nan 8.250 nan 0.000 0.497 513 K N -0.688 119.706 120.400 -0.010 0.000 2.350 513 K HA 0.539 4.859 4.320 -0.000 0.000 0.241 513 K C -2.655 173.955 176.600 0.016 0.000 0.994 513 K CA -2.489 53.809 56.287 0.017 0.000 0.839 513 K CB 0.892 33.422 32.500 0.050 0.000 1.244 513 K HN -0.300 nan 8.250 nan 0.000 0.443 514 P HA -0.039 nan 4.420 nan 0.000 0.266 514 P C -0.170 177.168 177.300 0.062 0.000 1.195 514 P CA -0.363 62.759 63.100 0.038 0.000 0.768 514 P CB 0.327 32.061 31.700 0.057 0.000 0.838 515 V N 0.291 120.221 119.914 0.027 0.000 2.843 515 V HA 0.633 4.753 4.120 -0.000 0.000 0.305 515 V C 0.079 176.300 176.094 0.212 0.000 1.065 515 V CA -0.443 61.887 62.300 0.050 0.000 1.116 515 V CB 0.075 31.821 31.823 -0.128 0.000 0.968 515 V HN 0.702 nan 8.190 nan 0.000 0.487 516 A N 3.023 126.047 122.820 0.341 0.000 2.587 516 A HA 0.801 5.121 4.320 -0.000 0.000 0.293 516 A C -1.595 176.236 177.584 0.410 0.000 1.087 516 A CA -0.695 51.570 52.037 0.381 0.000 0.692 516 A CB 1.511 20.735 19.000 0.373 0.000 1.291 516 A HN 0.860 nan 8.150 nan 0.000 0.407 517 Y N 1.078 121.491 120.300 0.188 0.000 2.377 517 Y HA 0.517 5.067 4.550 -0.000 0.000 0.339 517 Y C 0.630 176.598 175.900 0.113 0.000 1.011 517 Y CA -0.222 57.947 58.100 0.115 0.000 1.093 517 Y CB 1.951 40.422 38.460 0.019 0.000 1.201 517 Y HN 0.725 nan 8.280 nan 0.000 0.455 518 K N 3.429 123.899 120.400 0.115 0.000 2.156 518 K HA 0.687 5.006 4.320 -0.000 0.000 0.254 518 K C -1.288 175.360 176.600 0.080 0.000 0.950 518 K CA -0.581 55.733 56.287 0.045 0.000 0.849 518 K CB 1.536 33.962 32.500 -0.123 0.000 1.100 518 K HN 0.618 nan 8.250 nan 0.000 0.434 519 I N 3.395 124.015 120.570 0.084 0.000 2.365 519 I HA 0.178 4.348 4.170 -0.000 0.000 0.291 519 I C -0.129 175.997 176.117 0.014 0.000 1.004 519 I CA -0.764 60.593 61.300 0.093 0.000 1.311 519 I CB 1.248 39.373 38.000 0.207 0.000 1.401 519 I HN 0.460 nan 8.210 nan 0.000 0.491 520 M N 8.980 128.583 119.600 0.004 0.000 2.167 520 M HA 0.573 5.053 4.480 -0.000 0.000 0.333 520 M C -0.626 175.665 176.300 -0.015 0.000 1.030 520 M CA -0.366 54.916 55.300 -0.030 0.000 0.963 520 M CB 1.305 33.889 32.600 -0.025 0.000 1.589 520 M HN 0.645 nan 8.290 nan 0.000 0.431 521 M N 3.173 122.759 119.600 -0.022 0.000 2.490 521 M HA 0.707 5.187 4.480 -0.000 0.000 0.286 521 M C -3.063 173.228 176.300 -0.015 0.000 1.185 521 M CA -1.312 53.992 55.300 0.006 0.000 0.912 521 M CB 2.379 35.023 32.600 0.072 0.000 1.744 521 M HN 0.316 nan 8.290 nan 0.000 0.494 522 P HA 0.458 nan 4.420 nan 0.000 0.277 522 P C -0.540 176.754 177.300 -0.010 0.000 1.240 522 P CA -0.267 62.819 63.100 -0.022 0.000 0.798 522 P CB 0.958 32.654 31.700 -0.005 0.000 0.979 523 A N 3.443 126.229 122.820 -0.056 0.000 2.531 523 A HA 0.278 4.598 4.320 -0.000 0.000 0.236 523 A C 0.414 177.993 177.584 -0.009 0.000 1.062 523 A CA 0.180 52.184 52.037 -0.054 0.000 0.760 523 A CB -0.169 18.739 19.000 -0.153 0.000 0.995 523 A HN 0.465 nan 8.150 nan 0.000 0.501 524 R N 0.994 121.503 120.500 0.014 0.000 2.771 524 R HA 0.277 4.617 4.340 -0.000 0.000 0.274 524 R C -0.570 175.741 176.300 0.019 0.000 0.987 524 R CA -0.765 55.355 56.100 0.033 0.000 0.908 524 R CB 1.399 31.738 30.300 0.064 0.000 1.213 524 R HN 0.973 nan 8.270 nan 0.000 0.468 525 Q N 2.295 122.107 119.800 0.019 0.000 2.283 525 Q HA 0.002 4.342 4.340 -0.000 0.000 0.301 525 Q C -0.126 175.870 176.000 -0.007 0.000 1.063 525 Q CA 0.521 56.326 55.803 0.002 0.000 0.952 525 Q CB 0.601 29.338 28.738 -0.002 0.000 1.166 525 Q HN 0.276 nan 8.270 nan 0.000 0.381 526 M N 2.459 122.045 119.600 -0.023 0.000 2.416 526 M HA 0.251 4.731 4.480 -0.000 0.000 0.227 526 M C -0.280 175.982 176.300 -0.064 0.000 1.063 526 M CA -0.898 54.379 55.300 -0.038 0.000 1.192 526 M CB -0.360 32.214 32.600 -0.043 0.000 1.274 526 M HN 0.694 nan 8.290 nan 0.000 0.645 527 L N 1.173 122.341 121.223 -0.091 0.000 2.540 527 L HA -0.038 4.302 4.340 -0.000 0.000 0.276 527 L C 0.685 177.510 176.870 -0.075 0.000 1.212 527 L CA 0.659 55.433 54.840 -0.110 0.000 0.893 527 L CB 0.022 41.994 42.059 -0.144 0.000 1.138 527 L HN 0.552 nan 8.230 nan 0.000 0.491 528 L N 4.636 125.819 121.223 -0.067 0.000 2.416 528 L HA 0.255 4.595 4.340 -0.000 0.000 0.216 528 L C 1.314 178.169 176.870 -0.025 0.000 1.098 528 L CA 0.308 55.125 54.840 -0.039 0.000 0.840 528 L CB -0.272 41.769 42.059 -0.030 0.000 0.981 528 L HN 0.869 nan 8.230 nan 0.000 0.462 529 A N 0.500 123.302 122.820 -0.031 0.000 2.555 529 A HA -0.098 4.222 4.320 -0.000 0.000 0.233 529 A C 0.223 177.796 177.584 -0.019 0.000 1.060 529 A CA 0.009 52.038 52.037 -0.013 0.000 0.759 529 A CB -0.073 18.924 19.000 -0.005 0.000 0.995 529 A HN 0.262 nan 8.150 nan 0.000 0.506 530 D N 0.366 120.758 120.400 -0.013 0.000 2.400 530 D HA -0.043 4.597 4.640 -0.000 0.000 0.238 530 D C 1.030 177.313 176.300 -0.027 0.000 1.157 530 D CA 0.144 54.132 54.000 -0.019 0.000 0.889 530 D CB 0.584 41.374 40.800 -0.018 0.000 1.199 530 D HN 0.729 nan 8.370 nan 0.000 0.436 531 E N 1.256 121.437 120.200 -0.031 0.000 2.153 531 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 531 E C 0.039 176.610 176.600 -0.048 0.000 0.988 531 E CA 0.613 56.990 56.400 -0.038 0.000 0.811 531 E CB 0.133 29.815 29.700 -0.031 0.000 0.746 531 E HN 0.339 nan 8.360 nan 0.000 0.466 532 D N 0.922 121.293 120.400 -0.048 0.000 2.619 532 D HA 0.061 4.701 4.640 -0.000 0.000 0.224 532 D C -1.371 174.888 176.300 -0.068 0.000 1.133 532 D CA -0.094 53.867 54.000 -0.066 0.000 1.017 532 D CB -0.167 40.599 40.800 -0.057 0.000 1.077 532 D HN 0.053 nan 8.370 nan 0.000 0.503 533 S N 0.436 116.091 115.700 -0.074 0.000 2.565 533 S HA 0.204 4.674 4.470 -0.000 0.000 0.269 533 S C 0.496 175.079 174.600 -0.028 0.000 1.153 533 S CA -0.828 57.350 58.200 -0.036 0.000 0.835 533 S CB 0.334 63.545 63.200 0.019 0.000 1.122 533 S HN 0.140 nan 8.310 nan 0.000 0.462 534 Y N 1.514 121.821 120.300 0.013 0.000 2.274 534 Y HA -0.149 4.401 4.550 -0.000 0.000 0.290 534 Y C 2.241 178.162 175.900 0.034 0.000 1.145 534 Y CA 1.884 59.996 58.100 0.020 0.000 1.203 534 Y CB -0.359 38.124 38.460 0.039 0.000 0.984 534 Y HN 0.675 nan 8.280 nan 0.000 0.533 535 N N 0.119 118.941 118.700 0.203 0.000 2.061 535 N HA -0.247 4.493 4.740 -0.000 0.000 0.193 535 N C 1.699 177.241 175.510 0.054 0.000 1.030 535 N CA 1.502 54.626 53.050 0.124 0.000 0.856 535 N CB -0.699 37.826 38.487 0.063 0.000 1.023 535 N HN 0.355 nan 8.380 nan 0.000 0.424 536 N N 0.861 119.567 118.700 0.011 0.000 2.120 536 N HA -0.132 4.608 4.740 -0.000 0.000 0.188 536 N C 1.061 176.548 175.510 -0.039 0.000 1.024 536 N CA 1.064 54.091 53.050 -0.039 0.000 0.852 536 N CB 0.097 38.556 38.487 -0.047 0.000 1.003 536 N HN 0.073 nan 8.380 nan 0.000 0.424 537 K N 0.905 121.296 120.400 -0.016 0.000 2.217 537 K HA 0.006 4.326 4.320 -0.000 0.000 0.202 537 K C 1.975 178.566 176.600 -0.014 0.000 1.051 537 K CA 0.632 56.898 56.287 -0.035 0.000 0.952 537 K CB -0.098 32.363 32.500 -0.065 0.000 0.736 537 K HN 0.326 nan 8.250 nan 0.000 0.453 538 R N -0.190 120.345 120.500 0.058 0.000 2.246 538 R HA 0.144 4.484 4.340 -0.000 0.000 0.199 538 R C 0.395 176.744 176.300 0.083 0.000 0.984 538 R CA 0.497 56.628 56.100 0.051 0.000 1.015 538 R CB 0.502 30.882 30.300 0.133 0.000 0.930 538 R HN -0.038 nan 8.270 nan 0.000 0.475 539 A N 0.538 123.386 122.820 0.047 0.000 3.266 539 A HA 0.182 4.502 4.320 -0.000 0.000 0.310 539 A C 0.352 177.745 177.584 -0.317 0.000 1.066 539 A CA -0.580 51.422 52.037 -0.057 0.000 0.839 539 A CB 0.707 19.625 19.000 -0.138 0.000 1.192 539 A HN -0.046 nan 8.150 nan 0.000 0.496 540 Q N 0.132 119.760 119.800 -0.286 0.000 2.226 540 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 540 Q C 1.584 177.307 176.000 -0.462 0.000 0.975 540 Q CA 2.022 57.621 55.803 -0.340 0.000 0.866 540 Q CB -0.454 28.038 28.738 -0.410 0.000 0.915 540 Q HN 1.047 nan 8.270 nan 0.000 0.440 541 F N -0.550 119.048 119.950 -0.587 0.000 2.269 541 F HA 0.031 4.558 4.527 -0.000 0.000 0.301 541 F C 1.891 177.668 175.800 -0.038 0.000 1.082 541 F CA 0.973 58.589 58.000 -0.641 0.000 1.360 541 F CB -0.480 38.189 39.000 -0.551 0.000 1.041 541 F HN -0.053 nan 8.300 nan 0.000 0.512 542 A N -0.228 122.023 122.820 -0.948 0.000 2.206 542 A HA 0.032 4.352 4.320 -0.000 0.000 0.211 542 A C 2.003 179.463 177.584 -0.207 0.000 1.158 542 A CA 1.300 52.946 52.037 -0.650 0.000 0.761 542 A CB -1.157 17.344 19.000 -0.832 0.000 0.801 542 A HN 0.448 nan 8.150 nan 0.000 0.473 543 T N -0.232 114.270 114.554 -0.086 0.000 3.067 543 T HA 0.122 4.472 4.350 -0.000 0.000 0.257 543 T C 0.368 175.050 174.700 -0.029 0.000 1.105 543 T CA 0.693 62.774 62.100 -0.032 0.000 1.104 543 T CB -0.028 68.838 68.868 -0.003 0.000 0.925 543 T HN 0.457 nan 8.240 nan 0.000 0.498 544 Q N -0.401 119.465 119.800 0.109 0.000 2.482 544 Q HA 0.294 4.634 4.340 -0.000 0.000 0.286 544 Q C 0.065 176.093 176.000 0.047 0.000 1.007 544 Q CA -0.457 55.264 55.803 -0.135 0.000 0.801 544 Q CB 1.720 29.982 28.738 -0.793 0.000 1.455 544 Q HN 0.078 nan 8.270 nan 0.000 0.398 545 Q N -0.064 119.687 119.800 -0.081 0.000 2.212 545 Q HA 0.134 4.474 4.340 -0.000 0.000 0.199 545 Q C -0.263 175.729 176.000 -0.013 0.000 0.950 545 Q CA 0.855 56.666 55.803 0.013 0.000 0.863 545 Q CB 0.763 29.517 28.738 0.026 0.000 0.944 545 Q HN 0.373 nan 8.270 nan 0.000 0.465 546 V N 0.507 120.270 119.914 -0.251 0.000 2.733 546 V HA 0.334 4.454 4.120 -0.000 0.000 0.306 546 V C -1.610 174.300 176.094 -0.307 0.000 1.084 546 V CA -0.788 61.372 62.300 -0.234 0.000 0.905 546 V CB 1.346 32.797 31.823 -0.621 0.000 1.010 546 V HN 0.233 nan 8.190 nan 0.000 0.424 547 W N 2.700 124.074 121.300 0.122 0.000 2.761 547 W HA 0.822 5.482 4.660 -0.000 0.000 0.340 547 W C -0.723 175.956 176.519 0.267 0.000 1.072 547 W CA -0.774 56.674 57.345 0.172 0.000 1.215 547 W CB 2.072 31.595 29.460 0.104 0.000 1.420 547 W HN 0.331 nan 8.180 nan 0.000 0.519 548 V N 2.419 122.582 119.914 0.416 0.000 2.588 548 V HA 0.720 4.840 4.120 -0.000 0.000 0.304 548 V C 0.004 176.325 176.094 0.378 0.000 1.042 548 V CA -0.762 61.773 62.300 0.391 0.000 0.877 548 V CB 1.569 33.537 31.823 0.241 0.000 0.996 548 V HN 0.615 nan 8.190 nan 0.000 0.425 549 T N 0.951 115.770 114.554 0.442 0.000 2.888 549 T HA 0.632 4.982 4.350 -0.000 0.000 0.288 549 T C -0.662 174.205 174.700 0.278 0.000 1.063 549 T CA -0.958 61.346 62.100 0.341 0.000 1.010 549 T CB 2.071 71.164 68.868 0.376 0.000 1.214 549 T HN 0.563 nan 8.240 nan 0.000 0.533 550 K N 0.649 121.162 120.400 0.189 0.000 2.201 550 K HA 0.311 4.631 4.320 -0.000 0.000 0.278 550 K C -0.702 175.975 176.600 0.128 0.000 1.027 550 K CA -0.852 55.529 56.287 0.156 0.000 0.909 550 K CB 0.455 33.019 32.500 0.107 0.000 1.062 550 K HN 0.676 nan 8.250 nan 0.000 0.465 551 Y N 4.071 124.402 120.300 0.051 0.000 2.811 551 Y HA -0.081 4.469 4.550 -0.000 0.000 0.334 551 Y C -0.438 175.431 175.900 -0.051 0.000 1.247 551 Y CA 0.855 58.957 58.100 0.003 0.000 1.526 551 Y CB 0.513 38.965 38.460 -0.015 0.000 1.284 551 Y HN 0.559 nan 8.280 nan 0.000 0.586 552 R N 4.078 123.953 120.500 -1.042 0.000 2.795 552 R HA 0.209 4.549 4.340 -0.000 0.000 0.275 552 R C -1.262 174.311 176.300 -1.212 0.000 0.981 552 R CA -1.236 54.318 56.100 -0.910 0.000 0.917 552 R CB 1.316 31.289 30.300 -0.544 0.000 1.202 552 R HN 0.668 nan 8.270 nan 0.000 0.469 553 D N 1.459 121.524 120.400 -0.558 0.000 2.472 553 D HA -0.005 4.635 4.640 -0.000 0.000 0.237 553 D C 0.243 176.382 176.300 -0.269 0.000 1.141 553 D CA 0.860 54.719 54.000 -0.233 0.000 0.875 553 D CB 0.301 41.103 40.800 0.004 0.000 1.192 553 D HN 0.574 nan 8.370 nan 0.000 0.450 554 N N 0.477 119.063 118.700 -0.190 0.000 2.708 554 N HA -0.235 4.505 4.740 -0.000 0.000 0.251 554 N C -0.802 174.514 175.510 -0.323 0.000 1.123 554 N CA 0.529 53.461 53.050 -0.197 0.000 0.739 554 N CB -0.794 37.629 38.487 -0.107 0.000 1.113 554 N HN 0.487 nan 8.380 nan 0.000 0.561 555 E N 0.450 120.357 120.200 -0.488 0.000 2.103 555 E HA 0.253 4.603 4.350 -0.000 0.000 0.254 555 E C 0.513 176.922 176.600 -0.318 0.000 0.940 555 E CA -0.211 55.774 56.400 -0.691 0.000 0.771 555 E CB 0.702 29.653 29.700 -1.248 0.000 1.153 555 E HN 0.337 nan 8.360 nan 0.000 0.428 556 L N 1.743 122.786 121.223 -0.301 0.000 2.717 556 L HA 0.208 4.548 4.340 -0.000 0.000 0.239 556 L C -0.345 176.390 176.870 -0.226 0.000 1.086 556 L CA 0.131 54.685 54.840 -0.478 0.000 0.897 556 L CB 0.530 41.950 42.059 -1.066 0.000 1.214 556 L HN 0.410 nan 8.230 nan 0.000 0.508 557 Y N -0.427 120.132 120.300 0.433 0.000 2.328 557 Y HA 0.475 5.025 4.550 -0.000 0.000 0.333 557 Y C 1.001 177.005 175.900 0.174 0.000 0.958 557 Y CA -1.244 57.004 58.100 0.246 0.000 1.167 557 Y CB 1.330 39.834 38.460 0.073 0.000 1.151 557 Y HN -0.112 nan 8.280 nan 0.000 0.470 558 A N 2.778 125.702 122.820 0.174 0.000 1.978 558 A HA -0.026 4.294 4.320 -0.000 0.000 0.220 558 A C 1.902 179.272 177.584 -0.356 0.000 1.170 558 A CA 2.004 53.891 52.037 -0.250 0.000 0.636 558 A CB -0.485 18.187 19.000 -0.548 0.000 0.810 558 A HN 0.818 nan 8.150 nan 0.000 0.448 559 A N -1.760 120.973 122.820 -0.145 0.000 2.430 559 A HA 0.531 4.851 4.320 -0.000 0.000 0.243 559 A C 1.009 178.414 177.584 -0.299 0.000 1.254 559 A CA 0.891 52.849 52.037 -0.130 0.000 0.914 559 A CB -0.653 18.468 19.000 0.202 0.000 0.998 559 A HN 2.040 nan 8.150 nan 0.000 0.515 560 G N -0.760 107.868 108.800 -0.287 0.000 2.459 560 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.685 560 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.685 560 G C 0.178 175.027 174.900 -0.085 0.000 1.303 560 G CA 0.096 45.056 45.100 -0.233 0.000 0.907 560 G HN 0.214 nan 8.290 nan 0.000 0.632 561 E N -0.778 119.358 120.200 -0.107 0.000 2.051 561 E HA 0.005 4.355 4.350 -0.000 0.000 0.192 561 E C 0.420 176.643 176.600 -0.628 0.000 0.991 561 E CA 0.987 57.178 56.400 -0.348 0.000 0.799 561 E CB -0.022 29.276 29.700 -0.670 0.000 0.748 561 E HN 0.393 nan 8.360 nan 0.000 0.449 562 F N 0.332 120.235 119.950 -0.079 0.000 2.325 562 F HA 0.203 4.729 4.527 -0.000 0.000 0.369 562 F C 0.990 176.665 175.800 -0.210 0.000 1.095 562 F CA -0.569 57.344 58.000 -0.145 0.000 1.082 562 F CB 1.711 40.632 39.000 -0.132 0.000 1.289 562 F HN -0.037 nan 8.300 nan 0.000 0.462 563 T N -1.969 112.517 114.554 -0.113 0.000 3.040 563 T HA 0.017 4.367 4.350 -0.000 0.000 0.252 563 T C 0.776 175.320 174.700 -0.261 0.000 1.064 563 T CA -0.095 61.789 62.100 -0.358 0.000 1.110 563 T CB -0.159 68.421 68.868 -0.481 0.000 0.921 563 T HN 0.256 nan 8.240 nan 0.000 0.480 564 N N 2.756 121.397 118.700 -0.098 0.000 2.452 564 N HA 0.017 4.757 4.740 -0.000 0.000 0.266 564 N C 0.002 175.455 175.510 -0.096 0.000 1.209 564 N CA 0.503 53.517 53.050 -0.060 0.000 0.929 564 N CB -0.176 38.290 38.487 -0.036 0.000 1.063 564 N HN 0.459 nan 8.380 nan 0.000 0.472 565 Q N -0.101 119.650 119.800 -0.082 0.000 2.461 565 Q HA -0.230 4.110 4.340 -0.000 0.000 0.273 565 Q C -0.476 175.443 176.000 -0.135 0.000 1.163 565 Q CA 0.808 56.545 55.803 -0.109 0.000 0.929 565 Q CB -2.159 26.515 28.738 -0.108 0.000 1.334 565 Q HN 0.794 nan 8.270 nan 0.000 0.499 566 S N -1.003 114.604 115.700 -0.156 0.000 2.579 566 S HA 0.166 4.636 4.470 -0.000 0.000 0.275 566 S C 1.009 175.554 174.600 -0.093 0.000 1.345 566 S CA -0.578 57.538 58.200 -0.139 0.000 1.031 566 S CB 1.353 64.428 63.200 -0.209 0.000 0.892 566 S HN 0.211 nan 8.310 nan 0.000 0.529 567 Q N 0.214 119.997 119.800 -0.029 0.000 2.302 567 Q HA 0.196 4.536 4.340 -0.000 0.000 0.202 567 Q C 0.586 176.669 176.000 0.138 0.000 0.936 567 Q CA 0.795 56.663 55.803 0.108 0.000 0.886 567 Q CB 0.335 29.134 28.738 0.101 0.000 0.986 567 Q HN 0.821 nan 8.270 nan 0.000 0.487 568 T N 0.178 114.737 114.554 0.009 0.000 2.889 568 T HA 0.087 4.436 4.350 -0.000 0.000 0.315 568 T C -1.800 172.832 174.700 -0.114 0.000 1.291 568 T CA -0.755 61.327 62.100 -0.031 0.000 1.028 568 T CB 1.694 70.539 68.868 -0.037 0.000 1.235 568 T HN -0.057 nan 8.240 nan 0.000 0.491 569 D N 1.657 121.971 120.400 -0.143 0.000 2.434 569 D HA 0.083 4.723 4.640 -0.000 0.000 0.252 569 D C 1.042 177.171 176.300 -0.286 0.000 1.185 569 D CA 0.391 54.254 54.000 -0.228 0.000 0.886 569 D CB 1.090 41.750 40.800 -0.233 0.000 1.148 569 D HN 0.642 nan 8.370 nan 0.000 0.483 570 T N 0.697 115.048 114.554 -0.339 0.000 3.215 570 T HA 0.468 4.818 4.350 -0.000 0.000 0.271 570 T C 0.814 175.084 174.700 -0.715 0.000 1.012 570 T CA -0.139 61.739 62.100 -0.369 0.000 0.899 570 T CB 0.629 69.387 68.868 -0.184 0.000 1.089 570 T HN 0.285 nan 8.240 nan 0.000 0.552 571 G N 1.343 109.527 108.800 -1.027 0.000 3.306 571 G HA2 0.446 4.406 3.960 -0.000 0.000 0.202 571 G HA3 0.446 4.406 3.960 -0.000 0.000 0.202 571 G C 0.754 174.534 174.900 -1.867 0.000 1.673 571 G CA -0.666 43.206 45.100 -2.046 0.000 0.776 571 G HN 0.294 nan 8.290 nan 0.000 0.740 572 L N 1.446 121.936 121.223 -1.222 0.000 2.265 572 L HA 0.023 4.363 4.340 -0.000 0.000 0.215 572 L C 2.976 179.455 176.870 -0.651 0.000 1.117 572 L CA 0.866 55.189 54.840 -0.862 0.000 0.782 572 L CB -0.427 41.033 42.059 -0.997 0.000 0.914 572 L HN 0.518 nan 8.230 nan 0.000 0.441 573 G N -0.654 107.771 108.800 -0.624 0.000 2.462 573 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.220 573 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.220 573 G C 1.459 176.189 174.900 -0.283 0.000 1.121 573 G CA 1.044 45.906 45.100 -0.397 0.000 0.758 573 G HN 0.256 nan 8.290 nan 0.000 0.559 574 V N -1.018 118.661 119.914 -0.392 0.000 2.627 574 V HA 0.070 4.190 4.120 -0.000 0.000 0.239 574 V C 2.414 178.486 176.094 -0.037 0.000 1.077 574 V CA 0.635 62.807 62.300 -0.213 0.000 1.103 574 V CB -0.472 31.216 31.823 -0.225 0.000 0.802 574 V HN 0.448 nan 8.190 nan 0.000 0.482 575 W N 0.921 122.145 121.300 -0.128 0.000 2.363 575 W HA 0.020 4.680 4.660 -0.000 0.000 0.296 575 W C 2.452 178.942 176.519 -0.049 0.000 1.212 575 W CA 1.067 58.349 57.345 -0.105 0.000 1.260 575 W CB -1.328 28.027 29.460 -0.174 0.000 1.131 575 W HN 0.321 nan 8.180 nan 0.000 0.530 576 A N 0.252 123.169 122.820 0.162 0.000 2.235 576 A HA 0.015 4.335 4.320 -0.000 0.000 0.208 576 A C 1.892 179.600 177.584 0.207 0.000 1.172 576 A CA 0.634 52.807 52.037 0.226 0.000 0.786 576 A CB -0.560 18.673 19.000 0.388 0.000 0.804 576 A HN 0.231 nan 8.150 nan 0.000 0.479 577 R N -0.837 119.750 120.500 0.144 0.000 2.397 577 R HA 0.185 4.525 4.340 -0.000 0.000 0.241 577 R C 0.195 176.554 176.300 0.099 0.000 0.914 577 R CA -0.234 55.937 56.100 0.117 0.000 1.071 577 R CB 0.297 30.648 30.300 0.085 0.000 1.116 577 R HN 0.336 nan 8.270 nan 0.000 0.524 578 R N 1.236 121.804 120.500 0.113 0.000 2.590 578 R HA -0.027 4.313 4.340 -0.000 0.000 0.274 578 R C -0.366 175.982 176.300 0.080 0.000 1.061 578 R CA 0.167 56.323 56.100 0.093 0.000 1.081 578 R CB 0.362 30.722 30.300 0.101 0.000 0.984 578 R HN -0.066 nan 8.270 nan 0.000 0.448 579 D N 3.987 124.424 120.400 0.062 0.000 2.479 579 D HA 0.058 4.698 4.640 -0.000 0.000 0.218 579 D C -0.587 175.743 176.300 0.050 0.000 1.131 579 D CA -0.121 53.910 54.000 0.053 0.000 0.916 579 D CB 0.195 41.021 40.800 0.042 0.000 1.022 579 D HN 0.592 nan 8.370 nan 0.000 0.515 580 E N 1.323 121.556 120.200 0.056 0.000 2.445 580 E HA 0.330 4.680 4.350 -0.000 0.000 0.279 580 E C -1.294 175.341 176.600 0.058 0.000 1.018 580 E CA -1.159 55.273 56.400 0.054 0.000 0.816 580 E CB 0.832 30.566 29.700 0.057 0.000 1.356 580 E HN 0.129 nan 8.360 nan 0.000 0.462 581 N N -0.177 118.556 118.700 0.055 0.000 2.430 581 N HA 0.320 5.060 4.740 -0.000 0.000 0.292 581 N C -0.011 175.541 175.510 0.069 0.000 1.051 581 N CA -0.492 52.592 53.050 0.056 0.000 0.917 581 N CB 1.793 40.307 38.487 0.045 0.000 1.164 581 N HN 0.463 nan 8.380 nan 0.000 0.484 582 V N 0.526 120.485 119.914 0.076 0.000 3.253 582 V HA 0.418 4.538 4.120 -0.000 0.000 0.320 582 V C 0.408 176.552 176.094 0.083 0.000 1.442 582 V CA -0.491 61.864 62.300 0.091 0.000 1.097 582 V CB -0.729 31.164 31.823 0.117 0.000 1.008 582 V HN 0.577 nan 8.190 nan 0.000 0.463 583 R N 1.855 122.395 120.500 0.066 0.000 2.389 583 R HA 0.281 4.621 4.340 -0.000 0.000 0.295 583 R C 0.619 176.952 176.300 0.055 0.000 1.075 583 R CA 0.628 56.763 56.100 0.058 0.000 1.005 583 R CB -0.226 30.100 30.300 0.043 0.000 0.987 583 R HN 0.440 nan 8.270 nan 0.000 0.452 584 N N 1.664 120.399 118.700 0.057 0.000 2.688 584 N HA -0.271 4.469 4.740 -0.000 0.000 0.258 584 N C -1.388 174.157 175.510 0.059 0.000 1.016 584 N CA 1.625 54.708 53.050 0.055 0.000 0.747 584 N CB -1.041 37.471 38.487 0.043 0.000 0.895 584 N HN 0.882 nan 8.380 nan 0.000 0.543 585 D N -0.586 119.856 120.400 0.070 0.000 4.259 585 D HA 0.456 5.096 4.640 -0.000 0.000 0.281 585 D C -0.591 175.758 176.300 0.083 0.000 1.637 585 D CA 0.006 54.050 54.000 0.073 0.000 0.993 585 D CB 0.224 41.070 40.800 0.077 0.000 1.417 585 D HN 0.327 nan 8.370 nan 0.000 0.663 586 N N 1.286 120.044 118.700 0.096 0.000 2.813 586 N HA 0.336 5.076 4.740 -0.000 0.000 0.282 586 N C -2.848 172.754 175.510 0.153 0.000 1.748 586 N CA -1.284 51.831 53.050 0.109 0.000 0.860 586 N CB 1.629 40.166 38.487 0.083 0.000 1.204 586 N HN 0.234 nan 8.380 nan 0.000 0.490 587 P HA -0.003 nan 4.420 nan 0.000 0.269 587 P C -0.600 176.810 177.300 0.183 0.000 1.209 587 P CA 0.034 63.236 63.100 0.171 0.000 0.776 587 P CB 1.639 33.429 31.700 0.150 0.000 0.876 588 V N 3.656 123.710 119.914 0.234 0.000 2.540 588 V HA 0.243 4.363 4.120 -0.000 0.000 0.302 588 V C 0.363 176.568 176.094 0.184 0.000 1.035 588 V CA -0.802 61.591 62.300 0.154 0.000 0.873 588 V CB 2.220 34.129 31.823 0.143 0.000 0.992 588 V HN 0.280 nan 8.190 nan 0.000 0.428 589 V N 3.789 123.714 119.914 0.017 0.000 2.427 589 V HA 0.454 4.574 4.120 -0.000 0.000 0.286 589 V C -1.139 174.971 176.094 0.027 0.000 1.034 589 V CA -0.486 61.895 62.300 0.135 0.000 0.893 589 V CB 1.563 33.449 31.823 0.106 0.000 0.982 589 V HN 0.926 nan 8.190 nan 0.000 0.452 590 W N 3.540 124.945 121.300 0.175 0.000 2.391 590 W HA 0.750 5.410 4.660 -0.000 0.000 0.312 590 W C 0.053 176.704 176.519 0.221 0.000 1.003 590 W CA -0.752 56.697 57.345 0.174 0.000 1.375 590 W CB 1.262 30.824 29.460 0.170 0.000 1.253 590 W HN 0.612 nan 8.180 nan 0.000 0.416 591 A N 2.237 125.263 122.820 0.343 0.000 2.260 591 A HA 0.704 5.024 4.320 -0.000 0.000 0.308 591 A C 0.070 177.853 177.584 0.331 0.000 1.254 591 A CA -0.391 51.818 52.037 0.287 0.000 0.874 591 A CB 0.398 19.527 19.000 0.215 0.000 1.153 591 A HN 0.371 nan 8.150 nan 0.000 0.527 592 T N 3.480 118.239 114.554 0.341 0.000 2.749 592 T HA 0.328 4.678 4.350 -0.000 0.000 0.295 592 T C -0.073 174.786 174.700 0.266 0.000 0.936 592 T CA 0.201 62.511 62.100 0.350 0.000 1.060 592 T CB 0.175 69.293 68.868 0.416 0.000 0.904 592 T HN 0.505 nan 8.240 nan 0.000 0.500 593 L N 4.169 125.552 121.223 0.266 0.000 2.259 593 L HA 0.564 4.903 4.340 -0.000 0.000 0.288 593 L C 0.653 177.611 176.870 0.147 0.000 1.051 593 L CA -0.447 54.516 54.840 0.205 0.000 0.824 593 L CB 0.194 42.410 42.059 0.262 0.000 1.206 593 L HN 0.716 nan 8.230 nan 0.000 0.429 594 G N 4.237 113.105 108.800 0.114 0.000 2.332 594 G HA2 0.361 4.321 3.960 -0.000 0.000 0.310 594 G HA3 0.361 4.321 3.960 -0.000 0.000 0.310 594 G C -1.377 173.585 174.900 0.102 0.000 1.123 594 G CA -0.356 44.795 45.100 0.085 0.000 0.873 594 G HN 0.602 nan 8.290 nan 0.000 0.460 595 F N 2.672 122.555 119.950 -0.112 0.000 2.716 595 F HA 0.410 4.937 4.527 -0.000 0.000 0.354 595 F C -0.182 175.585 175.800 -0.055 0.000 1.168 595 F CA -0.846 57.052 58.000 -0.170 0.000 1.045 595 F CB 1.505 40.230 39.000 -0.459 0.000 1.311 595 F HN 0.359 nan 8.300 nan 0.000 0.477 596 T N 4.817 119.317 114.554 -0.090 0.000 2.780 596 T HA 0.102 4.452 4.350 -0.000 0.000 0.294 596 T C -0.814 173.603 174.700 -0.471 0.000 0.949 596 T CA 0.077 61.993 62.100 -0.306 0.000 1.074 596 T CB 0.233 69.014 68.868 -0.144 0.000 0.910 596 T HN 0.630 nan 8.240 nan 0.000 0.501 597 H N 4.303 122.837 119.070 -0.893 0.000 2.638 597 H HA 0.348 4.904 4.556 -0.000 0.000 0.303 597 H C -0.650 174.352 175.328 -0.544 0.000 1.034 597 H CA -1.208 54.337 56.048 -0.840 0.000 1.225 597 H CB 0.309 29.348 29.762 -1.205 0.000 1.394 597 H HN 0.318 nan 8.280 nan 0.000 0.477 598 I N 7.940 128.438 120.570 -0.120 0.000 2.291 598 I HA 0.186 4.356 4.170 -0.000 0.000 0.292 598 I C -2.159 173.977 176.117 0.031 0.000 1.064 598 I CA -2.835 58.296 61.300 -0.281 0.000 1.269 598 I CB 0.144 37.911 38.000 -0.388 0.000 1.418 598 I HN 0.543 nan 8.210 nan 0.000 0.485 599 P HA 0.174 nan 4.420 nan 0.000 0.269 599 P C -0.275 177.112 177.300 0.145 0.000 1.209 599 P CA -0.116 63.024 63.100 0.067 0.000 0.776 599 P CB 0.574 32.284 31.700 0.016 0.000 0.876 600 R N 1.113 121.721 120.500 0.181 0.000 2.873 600 R HA 0.477 4.817 4.340 -0.000 0.000 0.264 600 R C 0.316 176.699 176.300 0.139 0.000 1.026 600 R CA -0.869 55.314 56.100 0.138 0.000 1.002 600 R CB 0.300 30.677 30.300 0.128 0.000 1.174 600 R HN 0.054 nan 8.270 nan 0.000 0.488 601 V N 1.105 121.087 119.914 0.112 0.000 2.515 601 V HA -0.185 3.935 4.120 -0.000 0.000 0.250 601 V C 1.643 177.836 176.094 0.164 0.000 1.058 601 V CA 1.921 64.297 62.300 0.126 0.000 1.064 601 V CB -0.765 31.114 31.823 0.093 0.000 0.675 601 V HN 0.780 nan 8.190 nan 0.000 0.461 602 E N 0.237 120.516 120.200 0.132 0.000 2.333 602 E HA -0.188 4.162 4.350 -0.000 0.000 0.198 602 E C 1.630 178.315 176.600 0.143 0.000 1.007 602 E CA 1.009 57.480 56.400 0.119 0.000 0.845 602 E CB -0.283 29.468 29.700 0.086 0.000 0.766 602 E HN 0.577 nan 8.360 nan 0.000 0.507 603 D N -0.758 119.758 120.400 0.193 0.000 2.371 603 D HA -0.041 4.599 4.640 -0.000 0.000 0.221 603 D C -0.341 176.120 176.300 0.268 0.000 0.986 603 D CA 0.587 54.723 54.000 0.227 0.000 0.899 603 D CB 0.085 41.065 40.800 0.300 0.000 0.902 603 D HN 0.068 nan 8.370 nan 0.000 0.530 604 F N 0.445 120.439 119.950 0.072 0.000 2.546 604 F HA 0.307 4.834 4.527 -0.000 0.000 0.320 604 F C -1.724 174.123 175.800 0.079 0.000 1.076 604 F CA -2.383 55.659 58.000 0.071 0.000 0.928 604 F CB 2.193 41.238 39.000 0.076 0.000 1.189 604 F HN -0.302 nan 8.300 nan 0.000 0.465 605 P HA 0.033 nan 4.420 nan 0.000 0.227 605 P C -0.284 176.664 177.300 -0.585 0.000 1.161 605 P CA 0.794 63.232 63.100 -1.103 0.000 0.788 605 P CB 0.949 32.329 31.700 -0.534 0.000 0.822 606 V N 1.398 121.163 119.914 -0.249 0.000 2.823 606 V HA 0.512 4.632 4.120 -0.000 0.000 0.312 606 V C -0.447 175.602 176.094 -0.074 0.000 1.072 606 V CA -1.419 60.755 62.300 -0.210 0.000 0.937 606 V CB 2.144 33.781 31.823 -0.310 0.000 1.013 606 V HN -0.045 nan 8.190 nan 0.000 0.430 607 M N 6.805 126.382 119.600 -0.038 0.000 2.233 607 M HA 0.691 5.171 4.480 -0.000 0.000 0.355 607 M C -2.617 173.683 176.300 -0.000 0.000 1.191 607 M CA -1.584 53.738 55.300 0.035 0.000 1.101 607 M CB 1.307 33.978 32.600 0.118 0.000 1.592 607 M HN 0.351 nan 8.290 nan 0.000 0.461 608 P HA 0.076 nan 4.420 nan 0.000 0.268 608 P C -0.426 176.860 177.300 -0.023 0.000 1.208 608 P CA -0.488 62.607 63.100 -0.009 0.000 0.777 608 P CB 0.256 31.956 31.700 -0.001 0.000 0.875 609 V N -0.470 119.421 119.914 -0.039 0.000 2.694 609 V HA 0.077 4.197 4.120 -0.000 0.000 0.306 609 V C 0.284 176.319 176.094 -0.099 0.000 1.054 609 V CA 0.019 62.284 62.300 -0.058 0.000 1.161 609 V CB -0.252 31.545 31.823 -0.044 0.000 0.916 609 V HN 0.571 nan 8.190 nan 0.000 0.490 610 E N 3.158 123.268 120.200 -0.151 0.000 2.176 610 E HA 0.698 5.048 4.350 -0.000 0.000 0.267 610 E C -0.437 175.928 176.600 -0.390 0.000 0.893 610 E CA -0.731 55.495 56.400 -0.291 0.000 0.761 610 E CB 1.710 31.186 29.700 -0.373 0.000 1.133 610 E HN 1.178 nan 8.360 nan 0.000 0.409 611 A N 4.945 127.460 122.820 -0.508 0.000 2.317 611 A HA 0.570 4.890 4.320 -0.000 0.000 0.327 611 A C -1.108 175.985 177.584 -0.817 0.000 1.178 611 A CA -0.523 51.196 52.037 -0.530 0.000 0.817 611 A CB 0.778 19.566 19.000 -0.354 0.000 1.189 611 A HN 0.730 nan 8.150 nan 0.000 0.489 612 H N 0.615 119.427 119.070 -0.430 0.000 2.895 612 H HA 0.568 5.124 4.556 -0.000 0.000 0.373 612 H C -1.177 173.979 175.328 -0.286 0.000 1.174 612 H CA -0.414 55.452 56.048 -0.303 0.000 1.144 612 H CB 2.172 31.787 29.762 -0.245 0.000 1.793 612 H HN 0.815 nan 8.280 nan 0.000 0.551 613 E N 1.661 121.821 120.200 -0.066 0.000 2.343 613 E HA 0.447 4.797 4.350 -0.000 0.000 0.278 613 E C -1.069 175.477 176.600 -0.090 0.000 0.910 613 E CA -0.514 55.826 56.400 -0.101 0.000 0.757 613 E CB 2.904 32.572 29.700 -0.052 0.000 1.218 613 E HN 0.377 nan 8.360 nan 0.000 0.435 614 I N 1.842 122.314 120.570 -0.164 0.000 2.545 614 I HA 0.604 4.774 4.170 -0.000 0.000 0.292 614 I C -0.614 175.417 176.117 -0.143 0.000 1.040 614 I CA -0.636 60.584 61.300 -0.134 0.000 1.068 614 I CB 1.947 39.839 38.000 -0.182 0.000 1.251 614 I HN 0.500 nan 8.210 nan 0.000 0.424 615 A N 7.028 129.801 122.820 -0.077 0.000 2.356 615 A HA 0.910 5.230 4.320 -0.000 0.000 0.323 615 A C -1.062 176.513 177.584 -0.015 0.000 1.119 615 A CA -0.567 51.428 52.037 -0.069 0.000 0.790 615 A CB 1.262 20.236 19.000 -0.043 0.000 1.273 615 A HN 0.662 nan 8.150 nan 0.000 0.452 616 L N 1.851 123.083 121.223 0.015 0.000 2.305 616 L HA 0.649 4.989 4.340 -0.000 0.000 0.284 616 L C -0.989 176.021 176.870 0.232 0.000 1.013 616 L CA -0.815 54.116 54.840 0.152 0.000 0.819 616 L CB 1.514 43.663 42.059 0.150 0.000 1.227 616 L HN 0.382 nan 8.230 nan 0.000 0.417 617 V N 3.977 123.969 119.914 0.130 0.000 2.588 617 V HA 0.444 4.564 4.120 -0.000 0.000 0.304 617 V C -2.147 173.646 176.094 -0.500 0.000 1.042 617 V CA -1.728 60.539 62.300 -0.056 0.000 0.877 617 V CB 2.527 34.355 31.823 0.008 0.000 0.996 617 V HN 0.582 nan 8.190 nan 0.000 0.425 618 P HA 0.144 nan 4.420 nan 0.000 0.268 618 P C -1.088 176.108 177.300 -0.173 0.000 1.205 618 P CA 0.072 62.596 63.100 -0.960 0.000 0.771 618 P CB 0.541 32.057 31.700 -0.306 0.000 0.858 619 F N 2.222 122.057 119.950 -0.191 0.000 2.771 619 F HA 0.472 4.999 4.527 -0.000 0.000 0.365 619 F C 0.788 176.616 175.800 0.046 0.000 1.169 619 F CA 0.090 58.070 58.000 -0.034 0.000 1.093 619 F CB 0.584 39.570 39.000 -0.024 0.000 1.363 619 F HN 0.641 nan 8.300 nan 0.000 0.496 620 G N 4.545 113.125 108.800 -0.366 0.000 2.283 620 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.280 620 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.280 620 G C 0.601 175.482 174.900 -0.032 0.000 1.029 620 G CA 0.843 45.805 45.100 -0.230 0.000 0.840 620 G HN 0.713 nan 8.290 nan 0.000 0.505 621 F N -0.359 119.504 119.950 -0.146 0.000 2.219 621 F HA 0.489 5.016 4.527 -0.000 0.000 0.294 621 F C 1.292 176.849 175.800 -0.405 0.000 1.086 621 F CA 0.526 58.379 58.000 -0.245 0.000 1.330 621 F CB 0.098 38.929 39.000 -0.281 0.000 1.047 621 F HN 0.111 nan 8.300 nan 0.000 0.495 622 F N 0.567 120.616 119.950 0.166 0.000 2.457 622 F HA 0.226 4.753 4.527 -0.000 0.000 0.330 622 F C 1.110 176.891 175.800 -0.033 0.000 1.069 622 F CA -0.726 57.305 58.000 0.051 0.000 1.009 622 F CB 0.490 39.559 39.000 0.114 0.000 1.276 622 F HN -0.101 nan 8.300 nan 0.000 0.492 623 D N -1.179 119.316 120.400 0.160 0.000 2.340 623 D HA 0.159 4.799 4.640 -0.000 0.000 0.217 623 D C -0.497 175.821 176.300 0.031 0.000 1.081 623 D CA -0.022 54.005 54.000 0.044 0.000 0.842 623 D CB -0.169 40.634 40.800 0.005 0.000 0.934 623 D HN 0.622 nan 8.370 nan 0.000 0.511 624 K N -2.197 118.242 120.400 0.065 0.000 2.842 624 K HA 0.192 4.512 4.320 -0.000 0.000 0.293 624 K C -1.289 175.312 176.600 0.001 0.000 1.068 624 K CA -1.080 55.209 56.287 0.003 0.000 0.827 624 K CB -0.171 32.310 32.500 -0.032 0.000 1.524 624 K HN -0.161 nan 8.250 nan 0.000 0.368 625 N N 1.975 120.641 118.700 -0.057 0.000 2.434 625 N HA 0.074 4.814 4.740 -0.000 0.000 0.268 625 N C -1.548 173.881 175.510 -0.136 0.000 1.256 625 N CA -1.692 51.311 53.050 -0.079 0.000 0.914 625 N CB 0.561 38.971 38.487 -0.130 0.000 1.088 625 N HN 0.418 nan 8.380 nan 0.000 0.478 626 P HA -0.022 nan 4.420 nan 0.000 0.230 626 P C 0.298 177.484 177.300 -0.189 0.000 1.158 626 P CA 0.564 63.424 63.100 -0.399 0.000 0.769 626 P CB 0.149 31.329 31.700 -0.867 0.000 0.807 627 A N -0.392 122.391 122.820 -0.061 0.000 2.278 627 A HA 0.124 4.444 4.320 -0.000 0.000 0.212 627 A C 1.955 179.576 177.584 0.062 0.000 1.213 627 A CA 0.007 52.075 52.037 0.051 0.000 0.840 627 A CB -1.229 17.870 19.000 0.165 0.000 0.866 627 A HN 0.121 nan 8.150 nan 0.000 0.489 628 L N 0.285 121.485 121.223 -0.039 0.000 2.353 628 L HA -0.134 4.206 4.340 -0.000 0.000 0.220 628 L C 2.473 179.341 176.870 -0.003 0.000 1.133 628 L CA 1.326 56.151 54.840 -0.025 0.000 0.798 628 L CB -0.369 41.643 42.059 -0.078 0.000 0.922 628 L HN 0.569 nan 8.230 nan 0.000 0.445 629 S N -1.634 114.045 115.700 -0.034 0.000 2.603 629 S HA 0.069 4.539 4.470 -0.000 0.000 0.220 629 S C 0.724 175.313 174.600 -0.018 0.000 0.967 629 S CA -0.395 57.779 58.200 -0.044 0.000 0.920 629 S CB -0.447 62.695 63.200 -0.098 0.000 0.773 629 S HN 0.062 nan 8.310 nan 0.000 0.529 630 V N 4.071 124.002 119.914 0.029 0.000 2.583 630 V HA 0.308 4.427 4.120 -0.000 0.000 0.287 630 V C -2.039 174.077 176.094 0.037 0.000 1.051 630 V CA -1.890 60.430 62.300 0.033 0.000 1.010 630 V CB 0.365 32.232 31.823 0.073 0.000 0.988 630 V HN 0.275 nan 8.190 nan 0.000 0.478 631 P HA 0.087 nan 4.420 nan 0.000 0.267 631 P C -0.363 176.938 177.300 0.001 0.000 1.200 631 P CA -0.273 62.831 63.100 0.007 0.000 0.772 631 P CB 0.297 31.997 31.700 -0.001 0.000 0.855 632 Q N 0.847 120.650 119.800 0.005 0.000 2.349 632 Q HA 0.097 4.437 4.340 -0.000 0.000 0.287 632 Q C 0.384 176.365 176.000 -0.031 0.000 1.044 632 Q CA 0.463 56.256 55.803 -0.016 0.000 0.918 632 Q CB 0.135 28.875 28.738 0.003 0.000 1.242 632 Q HN 0.570 nan 8.270 nan 0.000 0.405 633 S N 1.370 117.035 115.700 -0.058 0.000 2.499 633 S HA 0.287 4.757 4.470 -0.000 0.000 0.275 633 S C 0.194 174.779 174.600 -0.025 0.000 1.257 633 S CA -0.433 57.744 58.200 -0.038 0.000 1.050 633 S CB 0.840 64.010 63.200 -0.050 0.000 0.937 633 S HN 0.602 nan 8.310 nan 0.000 0.490 634 T N 0.000 114.547 114.554 -0.012 0.000 3.816 634 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 634 T CA 0.000 62.096 62.100 -0.007 0.000 1.349 634 T CB 0.000 68.865 68.868 -0.005 0.000 0.612 634 T HN 0.000 nan 8.240 nan 0.000 0.658