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 1qpb_1_A DATA FIRST_RESID 2 DATA SEQUENCE SEITLGKYLF ERLKQVNVNT VFGLPGDFNL SLLDKIYEVE GMRWAGNANE DATA SEQUENCE LNAAYAADGY ARIKGMSCII TTFGVGELSA LNGIAGSYAE HVGVLHVVGV DATA SEQUENCE PSISAQAKQL LLHHTLGNGD FTVFHRMSAN ISETTAMITD IATAPAEIDR DATA SEQUENCE CIRTTYVTQR PVYLGLPANL VDLNVPAKLL QTPIDMSLKP NDAESEKEVI DATA SEQUENCE DTILVLIKDA KNPVILADAC CSRHDVKAET KKLIDLTQFP AFVTPMGKGS DATA SEQUENCE IDEQHPRYGG VYVGTLSKPE VKEAVESADL ILSVGALLSD FNTGSFSYSY DATA SEQUENCE KTKNIVEFHS DHMKIRNATF PGVQMKFVLQ KLLTAIADAA KGYKPVAVPA DATA SEQUENCE RTPANAAVPA STPLKQEWMW NQLGNFLQEG DVVIAETGTS AFGINQTTFP DATA SEQUENCE NNTYGISQVL WGSIGFTTGA TLGAAFAAEE IDPKKRVILF IGDGSLQLTV DATA SEQUENCE QEISTMIRWG LKPYLFVLNN DGYTIEKLIH GPKAQYNEIQ GWDHLSLLPT DATA SEQUENCE FGAKDYETHR VATTGEWDKL TQDKSFNDNS KIRMIEVMLP VFDAPQNLVE DATA SEQUENCE QAKLT 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.611 174.600 0.018 0.000 1.055 2 S CA 0.000 58.209 58.200 0.014 0.000 1.107 2 S CB 0.000 63.210 63.200 0.016 0.000 0.593 3 E N -0.113 120.099 120.200 0.019 0.000 2.428 3 E HA 0.836 5.186 4.350 -0.000 0.000 0.259 3 E C -1.165 175.456 176.600 0.035 0.000 0.930 3 E CA -1.043 55.371 56.400 0.023 0.000 0.823 3 E CB 2.358 32.066 29.700 0.013 0.000 1.403 3 E HN 0.673 nan 8.360 nan 0.000 0.415 4 I N 0.590 121.186 120.570 0.043 0.000 2.785 4 I HA 0.159 4.329 4.170 -0.000 0.000 0.293 4 I C -1.100 175.053 176.117 0.060 0.000 1.446 4 I CA -0.432 60.906 61.300 0.063 0.000 1.028 4 I CB 2.060 40.122 38.000 0.102 0.000 1.349 4 I HN 0.661 nan 8.210 nan 0.000 0.438 5 T N 4.041 118.632 114.554 0.062 0.000 2.930 5 T HA 0.143 4.493 4.350 -0.000 0.000 0.306 5 T C 1.065 175.814 174.700 0.081 0.000 1.045 5 T CA -0.522 61.610 62.100 0.053 0.000 1.134 5 T CB 1.326 70.224 68.868 0.051 0.000 0.961 5 T HN 0.577 nan 8.240 nan 0.000 0.545 6 L N 3.492 124.736 121.223 0.035 0.000 2.021 6 L HA 0.031 4.370 4.340 -0.000 0.000 0.215 6 L C 2.627 179.570 176.870 0.120 0.000 1.074 6 L CA 2.632 57.490 54.840 0.030 0.000 0.760 6 L CB -1.405 40.637 42.059 -0.028 0.000 0.889 6 L HN 1.008 nan 8.230 nan 0.000 0.433 7 G N -1.163 107.700 108.800 0.105 0.000 2.469 7 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.219 7 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.219 7 G C 1.757 176.810 174.900 0.255 0.000 1.150 7 G CA 1.097 46.290 45.100 0.155 0.000 0.763 7 G HN 0.462 nan 8.290 nan 0.000 0.561 8 K N -0.816 119.711 120.400 0.211 0.000 2.167 8 K HA -0.051 4.269 4.320 -0.000 0.000 0.203 8 K C 2.155 178.885 176.600 0.217 0.000 1.052 8 K CA 0.662 57.080 56.287 0.218 0.000 0.956 8 K CB -0.272 32.307 32.500 0.132 0.000 0.735 8 K HN 0.373 nan 8.250 nan 0.000 0.451 9 Y N 1.492 121.829 120.300 0.062 0.000 2.224 9 Y HA -0.245 4.305 4.550 -0.000 0.000 0.289 9 Y C 1.839 177.739 175.900 -0.001 0.000 1.146 9 Y CA 1.390 59.506 58.100 0.027 0.000 1.182 9 Y CB -0.202 38.263 38.460 0.008 0.000 0.983 9 Y HN 0.129 nan 8.280 nan 0.000 0.524 10 L N -0.469 120.852 121.223 0.164 0.000 2.017 10 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 10 L C 1.854 178.587 176.870 -0.228 0.000 1.073 10 L CA 1.960 56.759 54.840 -0.069 0.000 0.745 10 L CB -1.281 40.659 42.059 -0.198 0.000 0.894 10 L HN 0.176 nan 8.230 nan 0.000 0.432 11 F N -0.053 119.878 119.950 -0.032 0.000 2.407 11 F HA -0.060 4.467 4.527 -0.000 0.000 0.299 11 F C 2.486 178.231 175.800 -0.092 0.000 1.097 11 F CA 1.222 59.186 58.000 -0.059 0.000 1.422 11 F CB -0.388 38.580 39.000 -0.055 0.000 1.067 11 F HN 0.235 nan 8.300 nan 0.000 0.539 12 E N 0.062 120.279 120.200 0.027 0.000 2.158 12 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 12 E C 2.208 178.715 176.600 -0.156 0.000 0.982 12 E CA 0.722 57.085 56.400 -0.062 0.000 0.823 12 E CB 0.042 29.683 29.700 -0.099 0.000 0.766 12 E HN -0.057 nan 8.360 nan 0.000 0.468 13 R N -0.432 119.914 120.500 -0.258 0.000 2.075 13 R HA 0.064 4.404 4.340 -0.000 0.000 0.226 13 R C 1.883 178.092 176.300 -0.152 0.000 1.114 13 R CA 0.629 56.566 56.100 -0.273 0.000 0.972 13 R CB -0.715 29.364 30.300 -0.369 0.000 0.869 13 R HN 0.200 nan 8.270 nan 0.000 0.437 14 L N 0.728 121.878 121.223 -0.122 0.000 2.131 14 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 14 L C 1.948 178.796 176.870 -0.036 0.000 1.092 14 L CA 1.706 56.502 54.840 -0.073 0.000 0.759 14 L CB -0.662 41.350 42.059 -0.078 0.000 0.903 14 L HN 0.065 nan 8.230 nan 0.000 0.435 15 K N -0.414 119.969 120.400 -0.028 0.000 2.001 15 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 15 K C 2.049 178.622 176.600 -0.045 0.000 1.048 15 K CA 1.436 57.710 56.287 -0.021 0.000 0.932 15 K CB -0.185 32.305 32.500 -0.017 0.000 0.715 15 K HN 0.375 nan 8.250 nan 0.000 0.437 16 Q N -0.159 119.599 119.800 -0.069 0.000 2.152 16 Q HA -0.130 4.210 4.340 -0.000 0.000 0.206 16 Q C 1.670 177.615 176.000 -0.091 0.000 0.985 16 Q CA 1.768 57.523 55.803 -0.079 0.000 0.863 16 Q CB -0.187 28.493 28.738 -0.097 0.000 0.904 16 Q HN 0.399 nan 8.270 nan 0.000 0.422 17 V N -2.692 117.161 119.914 -0.101 0.000 3.633 17 V HA 0.159 4.279 4.120 -0.000 0.000 0.283 17 V C 0.293 176.331 176.094 -0.094 0.000 1.305 17 V CA 0.033 62.247 62.300 -0.144 0.000 1.153 17 V CB -0.213 31.500 31.823 -0.184 0.000 0.950 17 V HN 0.381 nan 8.190 nan 0.000 0.432 18 N N -0.259 118.413 118.700 -0.047 0.000 2.818 18 N HA -0.137 4.603 4.740 -0.000 0.000 0.250 18 N C 0.010 175.561 175.510 0.069 0.000 1.108 18 N CA 0.995 54.043 53.050 -0.003 0.000 0.745 18 N CB -1.130 37.347 38.487 -0.018 0.000 1.104 18 N HN 0.526 nan 8.380 nan 0.000 0.557 19 V N 1.936 121.895 119.914 0.075 0.000 2.222 19 V HA 0.135 4.255 4.120 -0.000 0.000 0.253 19 V C 1.422 177.558 176.094 0.071 0.000 1.210 19 V CA -0.352 62.035 62.300 0.144 0.000 1.079 19 V CB 0.786 32.658 31.823 0.081 0.000 1.265 19 V HN 0.197 nan 8.190 nan 0.000 0.494 20 N N 2.080 120.842 118.700 0.105 0.000 2.409 20 N HA -0.027 4.713 4.740 -0.000 0.000 0.179 20 N C 0.760 176.188 175.510 -0.138 0.000 1.032 20 N CA 0.616 53.664 53.050 -0.004 0.000 0.898 20 N CB 0.363 38.849 38.487 -0.001 0.000 0.971 20 N HN 0.519 nan 8.380 nan 0.000 0.441 21 T N 0.911 115.313 114.554 -0.252 0.000 2.855 21 T HA 0.524 4.874 4.350 -0.000 0.000 0.281 21 T C -0.146 174.171 174.700 -0.638 0.000 1.007 21 T CA -0.561 61.184 62.100 -0.592 0.000 1.009 21 T CB 2.814 71.149 68.868 -0.889 0.000 0.983 21 T HN -0.318 nan 8.240 nan 0.000 0.455 22 V N 3.154 122.730 119.914 -0.563 0.000 2.604 22 V HA 0.623 4.743 4.120 -0.000 0.000 0.305 22 V C -0.940 174.750 176.094 -0.672 0.000 1.043 22 V CA -0.920 61.201 62.300 -0.298 0.000 0.888 22 V CB 1.323 33.311 31.823 0.275 0.000 0.995 22 V HN 0.762 nan 8.190 nan 0.000 0.429 23 F N 1.527 121.325 119.950 -0.254 0.000 2.497 23 F HA 0.965 5.492 4.527 -0.000 0.000 0.331 23 F C 0.894 176.456 175.800 -0.398 0.000 1.060 23 F CA 0.500 58.250 58.000 -0.417 0.000 0.989 23 F CB 2.035 40.890 39.000 -0.242 0.000 1.245 23 F HN 0.889 nan 8.300 nan 0.000 0.486 24 G N 0.379 109.044 108.800 -0.225 0.000 2.316 24 G HA2 0.274 4.234 3.960 -0.000 0.000 0.349 24 G HA3 0.274 4.234 3.960 -0.000 0.000 0.349 24 G C -2.414 172.519 174.900 0.056 0.000 1.274 24 G CA -1.174 43.920 45.100 -0.009 0.000 1.018 24 G HN 0.538 nan 8.290 nan 0.000 0.486 25 L N 1.386 122.822 121.223 0.355 0.000 2.393 25 L HA 0.699 5.039 4.340 -0.000 0.000 0.260 25 L C -1.983 175.159 176.870 0.453 0.000 1.002 25 L CA -1.562 53.535 54.840 0.429 0.000 0.818 25 L CB 2.414 44.600 42.059 0.212 0.000 1.369 25 L HN 0.567 nan 8.230 nan 0.000 0.412 26 P HA 0.384 nan 4.420 nan 0.000 0.271 26 P C -0.636 176.748 177.300 0.141 0.000 1.218 26 P CA -0.082 63.129 63.100 0.185 0.000 0.780 26 P CB 1.376 33.145 31.700 0.116 0.000 0.901 27 G N 0.660 109.524 108.800 0.106 0.000 2.687 27 G HA2 0.194 4.154 3.960 -0.000 0.000 0.291 27 G HA3 0.194 4.154 3.960 -0.000 0.000 0.291 27 G C -0.153 174.784 174.900 0.061 0.000 1.420 27 G CA -0.498 44.666 45.100 0.107 0.000 0.796 27 G HN 0.329 nan 8.290 nan 0.000 0.485 28 D N -0.505 119.929 120.400 0.057 0.000 2.390 28 D HA 0.030 4.670 4.640 -0.000 0.000 0.235 28 D C 0.225 176.134 176.300 -0.652 0.000 1.040 28 D CA 0.977 54.844 54.000 -0.220 0.000 0.923 28 D CB 0.094 40.809 40.800 -0.142 0.000 0.886 28 D HN 0.209 nan 8.370 nan 0.000 0.532 29 F N -0.549 119.464 119.950 0.105 0.000 2.974 29 F HA 0.057 4.584 4.527 -0.000 0.000 0.357 29 F C 1.053 176.874 175.800 0.036 0.000 1.114 29 F CA -0.417 57.618 58.000 0.059 0.000 1.099 29 F CB 0.199 39.240 39.000 0.068 0.000 1.205 29 F HN -0.129 nan 8.300 nan 0.000 0.535 30 N N -0.840 117.951 118.700 0.151 0.000 2.166 30 N HA 0.075 4.815 4.740 -0.000 0.000 0.213 30 N C 1.240 176.762 175.510 0.020 0.000 1.222 30 N CA 0.122 53.228 53.050 0.094 0.000 0.900 30 N CB -0.397 38.151 38.487 0.102 0.000 1.055 30 N HN -0.006 nan 8.380 nan 0.000 0.515 31 L N 1.017 122.237 121.223 -0.005 0.000 2.034 31 L HA -0.205 4.135 4.340 -0.000 0.000 0.217 31 L C 2.524 179.364 176.870 -0.049 0.000 1.077 31 L CA 1.829 56.641 54.840 -0.047 0.000 0.769 31 L CB -1.152 40.874 42.059 -0.054 0.000 0.890 31 L HN 0.429 nan 8.230 nan 0.000 0.435 32 S N -1.463 114.224 115.700 -0.022 0.000 2.387 32 S HA -0.116 4.354 4.470 -0.000 0.000 0.226 32 S C 2.054 176.657 174.600 0.006 0.000 1.026 32 S CA 0.945 59.137 58.200 -0.013 0.000 0.972 32 S CB -0.263 62.937 63.200 0.000 0.000 0.814 32 S HN 0.405 nan 8.310 nan 0.000 0.477 33 L N 0.677 121.920 121.223 0.033 0.000 2.012 33 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 33 L C 2.167 179.087 176.870 0.084 0.000 1.073 33 L CA 1.321 56.218 54.840 0.095 0.000 0.748 33 L CB -0.425 41.702 42.059 0.113 0.000 0.891 33 L HN 0.343 nan 8.230 nan 0.000 0.431 34 L N 0.138 121.337 121.223 -0.039 0.000 2.263 34 L HA -0.277 4.063 4.340 -0.000 0.000 0.216 34 L C 2.049 178.812 176.870 -0.179 0.000 1.111 34 L CA 1.569 56.274 54.840 -0.224 0.000 0.773 34 L CB -0.973 40.833 42.059 -0.422 0.000 0.906 34 L HN 0.318 nan 8.230 nan 0.000 0.439 35 D N -0.841 119.513 120.400 -0.076 0.000 2.178 35 D HA -0.146 4.494 4.640 -0.000 0.000 0.202 35 D C 2.078 178.359 176.300 -0.032 0.000 0.974 35 D CA 0.726 54.717 54.000 -0.016 0.000 0.841 35 D CB 0.109 40.884 40.800 -0.042 0.000 0.953 35 D HN 0.173 nan 8.370 nan 0.000 0.478 36 K N 1.022 121.369 120.400 -0.089 0.000 2.148 36 K HA -0.003 4.317 4.320 -0.000 0.000 0.204 36 K C 2.038 178.402 176.600 -0.394 0.000 1.050 36 K CA 0.047 56.273 56.287 -0.102 0.000 0.942 36 K CB -0.454 32.099 32.500 0.088 0.000 0.724 36 K HN 0.238 nan 8.250 nan 0.000 0.446 37 I N -0.274 119.690 120.570 -1.010 0.000 2.208 37 I HA -0.345 3.825 4.170 -0.000 0.000 0.245 37 I C 1.196 176.894 176.117 -0.698 0.000 1.097 37 I CA 1.630 62.042 61.300 -1.480 0.000 1.363 37 I CB 0.001 37.026 38.000 -1.625 0.000 1.051 37 I HN 0.151 nan 8.210 nan 0.000 0.413 38 Y N 1.337 121.412 120.300 -0.375 0.000 2.574 38 Y HA -0.123 4.427 4.550 -0.000 0.000 0.294 38 Y C 2.070 177.882 175.900 -0.147 0.000 1.142 38 Y CA 0.957 58.934 58.100 -0.204 0.000 1.314 38 Y CB -0.283 38.078 38.460 -0.165 0.000 0.991 38 Y HN 0.319 nan 8.280 nan 0.000 0.555 39 E N -0.290 119.883 120.200 -0.044 0.000 2.476 39 E HA 0.105 4.455 4.350 -0.000 0.000 0.191 39 E C -0.570 176.012 176.600 -0.030 0.000 1.064 39 E CA 0.054 56.443 56.400 -0.020 0.000 0.866 39 E CB 0.387 30.081 29.700 -0.010 0.000 0.952 39 E HN 0.019 nan 8.360 nan 0.000 0.492 40 V N 1.610 121.484 119.914 -0.067 0.000 2.483 40 V HA 0.101 4.221 4.120 -0.000 0.000 0.297 40 V C -0.111 175.953 176.094 -0.049 0.000 1.027 40 V CA -0.950 61.323 62.300 -0.044 0.000 0.855 40 V CB 1.810 33.615 31.823 -0.030 0.000 0.995 40 V HN 0.094 nan 8.190 nan 0.000 0.424 41 E N 2.975 123.160 120.200 -0.026 0.000 2.465 41 E HA 0.339 4.689 4.350 -0.000 0.000 0.260 41 E C 1.263 177.844 176.600 -0.031 0.000 0.980 41 E CA 1.249 57.636 56.400 -0.022 0.000 0.927 41 E CB 0.485 30.177 29.700 -0.012 0.000 0.934 41 E HN 1.098 nan 8.360 nan 0.000 0.459 42 G N 3.906 112.685 108.800 -0.035 0.000 2.175 42 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.244 42 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.244 42 G C 0.077 174.932 174.900 -0.074 0.000 0.982 42 G CA 0.223 45.297 45.100 -0.044 0.000 0.641 42 G HN 0.421 nan 8.290 nan 0.000 0.527 43 M N 0.718 120.260 119.600 -0.096 0.000 2.300 43 M HA 0.593 5.073 4.480 -0.000 0.000 0.348 43 M C 0.667 176.843 176.300 -0.208 0.000 1.151 43 M CA -0.477 54.736 55.300 -0.145 0.000 1.046 43 M CB 1.390 33.900 32.600 -0.150 0.000 1.647 43 M HN 0.561 nan 8.290 nan 0.000 0.451 44 R N 1.080 121.427 120.500 -0.254 0.000 2.888 44 R HA 0.597 4.937 4.340 -0.000 0.000 0.264 44 R C -1.580 174.600 176.300 -0.200 0.000 1.045 44 R CA -0.931 55.024 56.100 -0.241 0.000 0.962 44 R CB 2.084 32.195 30.300 -0.315 0.000 1.210 44 R HN 0.835 nan 8.270 nan 0.000 0.479 45 W N 2.033 123.181 121.300 -0.253 0.000 2.299 45 W HA 0.359 5.019 4.660 -0.000 0.000 0.319 45 W C 0.300 176.838 176.519 0.033 0.000 1.008 45 W CA -0.330 56.916 57.345 -0.165 0.000 1.384 45 W CB 1.669 31.083 29.460 -0.077 0.000 1.220 45 W HN 1.001 nan 8.180 nan 0.000 0.402 46 A N 4.326 126.775 122.820 -0.618 0.000 1.906 46 A HA -0.148 4.172 4.320 -0.000 0.000 0.222 46 A C 1.676 179.310 177.584 0.083 0.000 1.282 46 A CA 2.662 54.484 52.037 -0.359 0.000 0.675 46 A CB -1.368 17.349 19.000 -0.470 0.000 0.838 46 A HN 1.669 nan 8.150 nan 0.000 0.469 47 G N -1.228 107.327 108.800 -0.410 0.000 2.255 47 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.239 47 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.239 47 G C -0.264 174.647 174.900 0.017 0.000 1.083 47 G CA 0.275 45.344 45.100 -0.052 0.000 0.826 47 G HN 0.823 nan 8.290 nan 0.000 0.493 48 N N -0.247 118.408 118.700 -0.075 0.000 2.344 48 N HA 0.434 5.174 4.740 -0.000 0.000 0.236 48 N C 1.227 176.748 175.510 0.017 0.000 1.279 48 N CA 0.806 53.858 53.050 0.002 0.000 0.882 48 N CB 0.603 39.084 38.487 -0.010 0.000 1.110 48 N HN 0.656 nan 8.380 nan 0.000 0.436 49 A N 0.843 123.662 122.820 -0.000 0.000 2.465 49 A HA 0.212 4.532 4.320 -0.000 0.000 0.255 49 A C 0.183 177.763 177.584 -0.006 0.000 1.274 49 A CA 0.037 52.066 52.037 -0.014 0.000 0.920 49 A CB -0.369 18.590 19.000 -0.069 0.000 1.033 49 A HN 0.659 nan 8.150 nan 0.000 0.516 50 N N -0.768 117.932 118.700 -0.001 0.000 3.126 50 N HA 0.046 4.786 4.740 -0.000 0.000 0.233 50 N C -0.261 175.233 175.510 -0.026 0.000 1.069 50 N CA -0.110 52.936 53.050 -0.007 0.000 1.071 50 N CB 1.074 39.557 38.487 -0.007 0.000 1.683 50 N HN -0.024 nan 8.380 nan 0.000 0.586 51 E N 1.991 122.173 120.200 -0.029 0.000 2.077 51 E HA -0.031 4.319 4.350 -0.000 0.000 0.193 51 E C 1.653 178.174 176.600 -0.132 0.000 0.989 51 E CA 1.008 57.377 56.400 -0.050 0.000 0.800 51 E CB 0.179 29.860 29.700 -0.031 0.000 0.746 51 E HN 0.527 nan 8.360 nan 0.000 0.452 52 L N 0.783 121.904 121.223 -0.171 0.000 1.976 52 L HA -0.252 4.088 4.340 -0.000 0.000 0.209 52 L C 1.586 178.181 176.870 -0.458 0.000 1.071 52 L CA 1.540 56.169 54.840 -0.351 0.000 0.746 52 L CB -0.317 41.556 42.059 -0.309 0.000 0.890 52 L HN 0.207 nan 8.230 nan 0.000 0.432 53 N N 0.525 119.099 118.700 -0.210 0.000 2.104 53 N HA -0.189 4.551 4.740 -0.000 0.000 0.190 53 N C 1.754 177.217 175.510 -0.078 0.000 1.024 53 N CA 1.566 54.595 53.050 -0.035 0.000 0.853 53 N CB -0.544 37.961 38.487 0.030 0.000 1.008 53 N HN 0.438 nan 8.380 nan 0.000 0.424 54 A N 0.742 123.502 122.820 -0.100 0.000 1.908 54 A HA -0.024 4.296 4.320 -0.000 0.000 0.218 54 A C 2.336 179.805 177.584 -0.190 0.000 1.181 54 A CA 2.080 54.060 52.037 -0.094 0.000 0.627 54 A CB -0.972 18.005 19.000 -0.039 0.000 0.818 54 A HN 0.340 nan 8.150 nan 0.000 0.445 55 A N -1.501 121.196 122.820 -0.204 0.000 1.898 55 A HA -0.005 4.315 4.320 -0.000 0.000 0.216 55 A C 2.085 179.622 177.584 -0.078 0.000 1.181 55 A CA 1.498 53.411 52.037 -0.205 0.000 0.620 55 A CB -0.734 18.106 19.000 -0.267 0.000 0.819 55 A HN 0.530 nan 8.150 nan 0.000 0.442 56 Y N 0.002 120.273 120.300 -0.050 0.000 2.145 56 Y HA -0.117 4.433 4.550 -0.000 0.000 0.286 56 Y C 2.997 178.812 175.900 -0.141 0.000 1.145 56 Y CA 0.392 58.518 58.100 0.042 0.000 1.148 56 Y CB -1.210 37.271 38.460 0.035 0.000 0.981 56 Y HN 0.325 nan 8.280 nan 0.000 0.507 57 A N 0.067 122.802 122.820 -0.140 0.000 1.908 57 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 57 A C 2.497 179.627 177.584 -0.758 0.000 1.181 57 A CA 2.104 53.851 52.037 -0.484 0.000 0.627 57 A CB -1.219 17.389 19.000 -0.653 0.000 0.818 57 A HN 0.396 nan 8.150 nan 0.000 0.445 58 A N -0.472 121.919 122.820 -0.715 0.000 2.015 58 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 58 A C 1.928 179.450 177.584 -0.102 0.000 1.163 58 A CA 1.807 53.553 52.037 -0.485 0.000 0.646 58 A CB -0.469 18.401 19.000 -0.216 0.000 0.806 58 A HN 0.615 nan 8.150 nan 0.000 0.448 59 D N -0.096 120.296 120.400 -0.014 0.000 2.077 59 D HA -0.091 4.549 4.640 -0.000 0.000 0.196 59 D C 2.149 178.544 176.300 0.158 0.000 0.986 59 D CA 1.677 55.761 54.000 0.139 0.000 0.829 59 D CB -0.553 40.439 40.800 0.320 0.000 0.983 59 D HN 0.286 nan 8.370 nan 0.000 0.453 60 G N -0.574 108.287 108.800 0.101 0.000 2.469 60 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.219 60 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.219 60 G C 1.671 176.639 174.900 0.114 0.000 1.150 60 G CA 1.109 46.248 45.100 0.066 0.000 0.763 60 G HN 0.407 nan 8.290 nan 0.000 0.561 61 Y N 1.837 122.122 120.300 -0.026 0.000 2.242 61 Y HA 0.123 4.673 4.550 -0.000 0.000 0.291 61 Y C 2.850 178.801 175.900 0.085 0.000 1.137 61 Y CA 1.177 59.319 58.100 0.070 0.000 1.181 61 Y CB -0.247 38.314 38.460 0.168 0.000 0.989 61 Y HN 0.238 nan 8.280 nan 0.000 0.527 62 A N 0.239 123.249 122.820 0.317 0.000 2.015 62 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 62 A C 2.246 179.897 177.584 0.111 0.000 1.163 62 A CA 1.261 53.434 52.037 0.227 0.000 0.646 62 A CB -0.473 18.639 19.000 0.186 0.000 0.806 62 A HN 0.510 nan 8.150 nan 0.000 0.448 63 R N -0.601 119.968 120.500 0.114 0.000 2.090 63 R HA 0.010 4.350 4.340 -0.000 0.000 0.228 63 R C 1.573 177.880 176.300 0.012 0.000 1.110 63 R CA 1.307 57.475 56.100 0.114 0.000 0.973 63 R CB -0.167 30.255 30.300 0.203 0.000 0.869 63 R HN 0.434 nan 8.270 nan 0.000 0.440 64 I N 0.084 120.630 120.570 -0.040 0.000 2.867 64 I HA -0.046 4.124 4.170 -0.000 0.000 0.265 64 I C 1.823 177.823 176.117 -0.195 0.000 1.162 64 I CA 1.057 62.276 61.300 -0.136 0.000 1.471 64 I CB -0.296 37.630 38.000 -0.124 0.000 1.123 64 I HN -0.029 nan 8.210 nan 0.000 0.440 65 K N 0.331 120.585 120.400 -0.244 0.000 2.308 65 K HA 0.240 4.560 4.320 -0.000 0.000 0.197 65 K C 1.301 177.871 176.600 -0.049 0.000 1.049 65 K CA 1.144 57.283 56.287 -0.247 0.000 0.991 65 K CB 0.581 32.725 32.500 -0.593 0.000 0.836 65 K HN 0.288 nan 8.250 nan 0.000 0.500 66 G N -0.309 108.509 108.800 0.031 0.000 3.638 66 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.196 66 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.196 66 G C -0.068 174.952 174.900 0.200 0.000 1.315 66 G CA 0.078 45.267 45.100 0.148 0.000 0.944 66 G HN 0.308 nan 8.290 nan 0.000 0.434 67 M N -0.563 119.183 119.600 0.243 0.000 2.949 67 M HA 0.755 5.235 4.480 -0.000 0.000 0.270 67 M C -0.785 175.698 176.300 0.305 0.000 1.221 67 M CA -0.042 55.404 55.300 0.242 0.000 0.818 67 M CB 1.797 34.566 32.600 0.283 0.000 1.635 67 M HN 1.218 nan 8.290 nan 0.000 0.492 68 S N 0.004 115.847 115.700 0.238 0.000 2.688 68 S HA 0.863 5.333 4.470 -0.000 0.000 0.275 68 S C -1.558 173.111 174.600 0.116 0.000 1.175 68 S CA -0.647 57.680 58.200 0.210 0.000 0.818 68 S CB 1.703 65.050 63.200 0.246 0.000 1.157 68 S HN 1.428 nan 8.310 nan 0.000 0.482 69 C N 1.345 120.699 119.300 0.090 0.000 2.686 69 C HA 0.837 5.297 4.460 -0.000 0.000 0.318 69 C C -1.071 174.002 174.990 0.139 0.000 1.160 69 C CA -0.497 58.571 59.018 0.082 0.000 1.396 69 C CB 0.062 27.818 27.740 0.027 0.000 1.924 69 C HN 1.008 nan 8.230 nan 0.000 0.471 70 I N 6.263 126.914 120.570 0.134 0.000 2.582 70 I HA 0.678 4.848 4.170 -0.000 0.000 0.292 70 I C -1.320 174.936 176.117 0.231 0.000 1.066 70 I CA -0.946 60.452 61.300 0.163 0.000 1.053 70 I CB 1.628 39.652 38.000 0.039 0.000 1.241 70 I HN 0.697 nan 8.210 nan 0.000 0.421 71 I N 6.574 127.329 120.570 0.308 0.000 2.406 71 I HA 0.427 4.597 4.170 -0.000 0.000 0.290 71 I C -0.016 176.304 176.117 0.340 0.000 0.999 71 I CA -0.332 61.169 61.300 0.335 0.000 1.124 71 I CB 2.073 40.308 38.000 0.391 0.000 1.289 71 I HN 0.607 nan 8.210 nan 0.000 0.441 72 T N 0.520 115.239 114.554 0.275 0.000 2.858 72 T HA 0.504 4.854 4.350 -0.000 0.000 0.285 72 T C -0.350 174.454 174.700 0.172 0.000 1.052 72 T CA -0.747 61.492 62.100 0.232 0.000 1.009 72 T CB 2.118 71.142 68.868 0.260 0.000 1.241 72 T HN 0.452 nan 8.240 nan 0.000 0.542 73 T N 0.281 114.922 114.554 0.145 0.000 2.888 73 T HA 0.527 4.877 4.350 -0.000 0.000 0.284 73 T C -0.541 174.251 174.700 0.153 0.000 1.017 73 T CA -0.740 61.471 62.100 0.184 0.000 1.022 73 T CB 0.145 69.128 68.868 0.192 0.000 1.013 73 T HN 0.541 nan 8.240 nan 0.000 0.465 74 F N 3.848 123.844 119.950 0.077 0.000 2.484 74 F HA 0.201 4.728 4.527 -0.000 0.000 0.387 74 F C 1.603 177.348 175.800 -0.091 0.000 0.994 74 F CA 2.153 60.160 58.000 0.012 0.000 1.223 74 F CB -0.190 38.774 39.000 -0.061 0.000 0.917 74 F HN 0.981 nan 8.300 nan 0.000 0.572 75 G N 3.835 112.046 108.800 -0.981 0.000 4.608 75 G HA2 -0.430 3.530 3.960 -0.000 0.000 0.352 75 G HA3 -0.430 3.530 3.960 -0.000 0.000 0.352 75 G C 1.227 175.699 174.900 -0.714 0.000 1.395 75 G CA 1.885 46.212 45.100 -1.289 0.000 1.148 75 G HN 1.613 nan 8.290 nan 0.000 0.804 76 V N -0.277 119.382 119.914 -0.424 0.000 2.231 76 V HA 0.114 4.234 4.120 -0.000 0.000 0.248 76 V C 2.920 178.899 176.094 -0.191 0.000 1.054 76 V CA 3.106 65.236 62.300 -0.283 0.000 1.015 76 V CB -1.652 30.005 31.823 -0.277 0.000 0.638 76 V HN 1.557 nan 8.190 nan 0.000 0.444 77 G N 1.196 109.915 108.800 -0.135 0.000 2.402 77 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 77 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 77 G C 1.535 176.430 174.900 -0.008 0.000 1.162 77 G CA 0.960 46.038 45.100 -0.036 0.000 0.777 77 G HN 0.844 nan 8.290 nan 0.000 0.539 78 E N 0.233 120.413 120.200 -0.033 0.000 2.106 78 E HA -0.010 4.340 4.350 -0.000 0.000 0.192 78 E C 2.242 178.854 176.600 0.021 0.000 0.984 78 E CA 0.556 57.000 56.400 0.072 0.000 0.806 78 E CB -0.468 29.231 29.700 -0.002 0.000 0.750 78 E HN 0.407 nan 8.360 nan 0.000 0.458 79 L N 1.184 122.315 121.223 -0.153 0.000 2.478 79 L HA 0.019 4.359 4.340 -0.000 0.000 0.223 79 L C 1.986 178.806 176.870 -0.083 0.000 1.140 79 L CA 0.361 55.119 54.840 -0.136 0.000 0.842 79 L CB 0.007 41.917 42.059 -0.249 0.000 0.953 79 L HN 0.165 nan 8.230 nan 0.000 0.452 80 S N -0.189 115.465 115.700 -0.076 0.000 2.470 80 S HA 0.056 4.526 4.470 -0.000 0.000 0.225 80 S C 1.739 176.290 174.600 -0.082 0.000 1.006 80 S CA 0.808 58.968 58.200 -0.066 0.000 0.934 80 S CB 0.189 63.354 63.200 -0.058 0.000 0.778 80 S HN 0.450 nan 8.310 nan 0.000 0.517 81 A N 0.392 123.165 122.820 -0.078 0.000 2.423 81 A HA 0.372 4.692 4.320 -0.000 0.000 0.246 81 A C 1.381 178.888 177.584 -0.129 0.000 1.278 81 A CA -0.086 51.864 52.037 -0.145 0.000 0.903 81 A CB -0.194 18.685 19.000 -0.201 0.000 0.997 81 A HN 0.295 nan 8.150 nan 0.000 0.510 82 L N 0.422 121.608 121.223 -0.062 0.000 2.131 82 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 82 L C 2.171 179.003 176.870 -0.063 0.000 1.092 82 L CA 1.721 56.535 54.840 -0.044 0.000 0.759 82 L CB -1.142 40.911 42.059 -0.011 0.000 0.903 82 L HN 0.663 nan 8.230 nan 0.000 0.435 83 N N -0.618 118.067 118.700 -0.025 0.000 2.058 83 N HA -0.184 4.556 4.740 -0.000 0.000 0.191 83 N C 1.901 177.393 175.510 -0.029 0.000 1.037 83 N CA 1.190 54.285 53.050 0.075 0.000 0.848 83 N CB -0.103 38.491 38.487 0.179 0.000 1.021 83 N HN 0.373 nan 8.380 nan 0.000 0.422 84 G N 2.132 110.863 108.800 -0.117 0.000 2.491 84 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 84 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 84 G C 1.541 176.356 174.900 -0.141 0.000 1.180 84 G CA 0.658 45.703 45.100 -0.091 0.000 0.774 84 G HN 0.237 nan 8.290 nan 0.000 0.562 85 I N 2.037 122.505 120.570 -0.170 0.000 2.118 85 I HA -0.233 3.937 4.170 -0.000 0.000 0.241 85 I C 3.352 179.335 176.117 -0.223 0.000 1.070 85 I CA 1.444 62.654 61.300 -0.151 0.000 1.327 85 I CB -1.479 36.464 38.000 -0.096 0.000 1.034 85 I HN 0.287 nan 8.210 nan 0.000 0.405 86 A N 0.923 123.532 122.820 -0.351 0.000 1.892 86 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 86 A C 2.523 179.584 177.584 -0.870 0.000 1.188 86 A CA 2.256 53.946 52.037 -0.579 0.000 0.631 86 A CB -1.471 17.095 19.000 -0.724 0.000 0.822 86 A HN 0.471 nan 8.150 nan 0.000 0.447 87 G N -1.001 107.081 108.800 -1.197 0.000 2.440 87 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.218 87 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.218 87 G C 1.792 176.444 174.900 -0.413 0.000 1.154 87 G CA 1.334 45.766 45.100 -1.114 0.000 0.767 87 G HN 0.508 nan 8.290 nan 0.000 0.552 88 S N -0.616 114.935 115.700 -0.249 0.000 2.423 88 S HA -0.090 4.380 4.470 -0.000 0.000 0.231 88 S C 1.893 176.463 174.600 -0.050 0.000 1.014 88 S CA 0.891 59.038 58.200 -0.088 0.000 0.965 88 S CB -0.328 62.855 63.200 -0.028 0.000 0.785 88 S HN 0.546 nan 8.310 nan 0.000 0.495 89 Y N 2.032 122.205 120.300 -0.212 0.000 2.314 89 Y HA 0.046 4.596 4.550 -0.000 0.000 0.293 89 Y C 2.299 178.121 175.900 -0.130 0.000 1.129 89 Y CA 0.814 58.807 58.100 -0.179 0.000 1.201 89 Y CB -0.479 37.865 38.460 -0.193 0.000 0.999 89 Y HN 0.226 nan 8.280 nan 0.000 0.541 90 A N 0.094 122.902 122.820 -0.020 0.000 1.898 90 A HA -0.080 4.240 4.320 -0.000 0.000 0.214 90 A C 1.655 179.313 177.584 0.123 0.000 1.183 90 A CA 1.480 53.550 52.037 0.055 0.000 0.622 90 A CB -0.396 18.679 19.000 0.125 0.000 0.824 90 A HN 0.553 nan 8.150 nan 0.000 0.444 91 E N -0.163 120.084 120.200 0.078 0.000 2.370 91 E HA 0.122 4.472 4.350 -0.000 0.000 0.194 91 E C -1.020 175.697 176.600 0.194 0.000 1.057 91 E CA -0.383 56.080 56.400 0.105 0.000 1.011 91 E CB -0.319 29.400 29.700 0.031 0.000 1.132 91 E HN 0.666 nan 8.360 nan 0.000 0.450 92 H N -0.388 118.653 119.070 -0.048 0.000 2.591 92 H HA -0.144 4.412 4.556 -0.000 0.000 0.325 92 H C -0.655 174.684 175.328 0.018 0.000 1.096 92 H CA -0.156 55.881 56.048 -0.019 0.000 1.108 92 H CB -1.354 28.451 29.762 0.072 0.000 1.590 92 H HN 0.019 nan 8.280 nan 0.000 0.399 93 V N 0.351 120.304 119.914 0.065 0.000 2.581 93 V HA 0.391 4.511 4.120 -0.000 0.000 0.303 93 V C 1.113 177.222 176.094 0.025 0.000 1.041 93 V CA -0.112 62.223 62.300 0.058 0.000 0.907 93 V CB 2.076 33.945 31.823 0.077 0.000 0.994 93 V HN 0.594 nan 8.190 nan 0.000 0.442 94 G N 3.350 112.163 108.800 0.022 0.000 2.639 94 G HA2 0.469 4.429 3.960 -0.000 0.000 0.312 94 G HA3 0.469 4.429 3.960 -0.000 0.000 0.312 94 G C -0.611 174.335 174.900 0.078 0.000 0.911 94 G CA -0.050 45.070 45.100 0.033 0.000 1.410 94 G HN 0.493 nan 8.290 nan 0.000 0.469 95 V N 4.059 124.015 119.914 0.069 0.000 2.409 95 V HA 0.334 4.454 4.120 -0.000 0.000 0.291 95 V C -0.208 175.935 176.094 0.082 0.000 1.020 95 V CA -0.943 61.401 62.300 0.073 0.000 0.848 95 V CB 1.622 33.469 31.823 0.041 0.000 0.990 95 V HN 0.614 nan 8.190 nan 0.000 0.430 96 L N 4.900 126.174 121.223 0.085 0.000 2.276 96 L HA 0.487 4.827 4.340 -0.000 0.000 0.286 96 L C -0.207 176.733 176.870 0.117 0.000 1.061 96 L CA 0.290 55.181 54.840 0.085 0.000 0.807 96 L CB 0.665 42.757 42.059 0.054 0.000 1.177 96 L HN 0.760 nan 8.230 nan 0.000 0.429 97 H N 4.724 123.781 119.070 -0.021 0.000 2.685 97 H HA 0.524 5.080 4.556 -0.000 0.000 0.307 97 H C -1.375 173.835 175.328 -0.196 0.000 1.017 97 H CA -0.944 55.067 56.048 -0.062 0.000 1.237 97 H CB 1.147 30.901 29.762 -0.013 0.000 1.409 97 H HN 0.508 nan 8.280 nan 0.000 0.488 98 V N 6.058 125.961 119.914 -0.019 0.000 2.472 98 V HA 0.221 4.341 4.120 -0.000 0.000 0.290 98 V C -0.312 175.651 176.094 -0.219 0.000 1.037 98 V CA -0.621 61.563 62.300 -0.193 0.000 0.908 98 V CB 1.612 33.376 31.823 -0.098 0.000 0.985 98 V HN 0.497 nan 8.190 nan 0.000 0.454 99 V N 4.334 124.041 119.914 -0.345 0.000 2.577 99 V HA 0.803 4.923 4.120 -0.000 0.000 0.303 99 V C 0.425 176.478 176.094 -0.068 0.000 1.042 99 V CA -0.155 62.019 62.300 -0.210 0.000 0.872 99 V CB 1.730 33.349 31.823 -0.340 0.000 0.998 99 V HN 0.983 nan 8.190 nan 0.000 0.423 100 G N 5.761 114.592 108.800 0.051 0.000 2.354 100 G HA2 0.497 4.457 3.960 -0.000 0.000 0.266 100 G HA3 0.497 4.457 3.960 -0.000 0.000 0.266 100 G C -0.653 174.317 174.900 0.116 0.000 1.242 100 G CA -0.046 45.118 45.100 0.106 0.000 0.923 100 G HN 0.923 nan 8.290 nan 0.000 0.476 101 V N 5.470 125.376 119.914 -0.014 0.000 2.769 101 V HA 0.461 4.581 4.120 -0.000 0.000 0.312 101 V C -1.879 173.939 176.094 -0.460 0.000 1.061 101 V CA -1.766 60.378 62.300 -0.260 0.000 0.931 101 V CB 2.491 34.234 31.823 -0.133 0.000 1.010 101 V HN 0.664 nan 8.190 nan 0.000 0.433 102 P HA -0.012 nan 4.420 nan 0.000 0.267 102 P C 0.090 177.175 177.300 -0.359 0.000 1.200 102 P CA 0.181 62.862 63.100 -0.700 0.000 0.772 102 P CB 0.518 31.568 31.700 -1.084 0.000 0.855 103 S N 2.300 117.914 115.700 -0.143 0.000 2.964 103 S HA -0.096 4.374 4.470 -0.000 0.000 0.356 103 S C 1.463 175.997 174.600 -0.110 0.000 1.118 103 S CA -0.506 57.640 58.200 -0.090 0.000 1.581 103 S CB -1.388 61.795 63.200 -0.029 0.000 1.227 103 S HN 0.365 nan 8.310 nan 0.000 0.594 104 I N 5.060 125.563 120.570 -0.110 0.000 2.454 104 I HA -0.057 4.113 4.170 -0.000 0.000 0.254 104 I C 1.578 177.678 176.117 -0.028 0.000 1.156 104 I CA 1.374 62.631 61.300 -0.072 0.000 1.433 104 I CB -0.205 37.768 38.000 -0.045 0.000 1.082 104 I HN 0.563 nan 8.210 nan 0.000 0.432 105 S N 1.960 117.644 115.700 -0.026 0.000 2.930 105 S HA 0.507 4.977 4.470 -0.000 0.000 0.257 105 S C 0.486 175.082 174.600 -0.007 0.000 1.208 105 S CA 0.133 58.327 58.200 -0.011 0.000 1.233 105 S CB -0.877 62.316 63.200 -0.011 0.000 0.900 105 S HN 0.482 nan 8.310 nan 0.000 0.472 106 A N 1.489 124.306 122.820 -0.005 0.000 2.281 106 A HA 0.522 4.842 4.320 -0.000 0.000 0.329 106 A C 0.913 178.505 177.584 0.013 0.000 1.122 106 A CA -0.789 51.250 52.037 0.003 0.000 0.850 106 A CB 0.736 19.737 19.000 0.003 0.000 1.207 106 A HN 0.495 nan 8.150 nan 0.000 0.495 107 Q N 0.270 120.079 119.800 0.015 0.000 2.319 107 Q HA 0.456 4.796 4.340 -0.000 0.000 0.209 107 Q C 0.369 176.382 176.000 0.022 0.000 0.884 107 Q CA 0.582 56.395 55.803 0.016 0.000 0.938 107 Q CB 0.234 28.979 28.738 0.011 0.000 1.098 107 Q HN 0.698 nan 8.270 nan 0.000 0.517 108 A N 0.952 123.789 122.820 0.029 0.000 2.288 108 A HA 0.481 4.801 4.320 -0.000 0.000 0.320 108 A C 0.046 177.666 177.584 0.059 0.000 1.217 108 A CA -0.627 51.432 52.037 0.037 0.000 0.840 108 A CB 1.462 20.484 19.000 0.036 0.000 1.179 108 A HN 0.107 nan 8.150 nan 0.000 0.504 109 K N 1.049 121.482 120.400 0.056 0.000 2.273 109 K HA 0.102 4.422 4.320 -0.000 0.000 0.206 109 K C 1.420 178.060 176.600 0.066 0.000 1.072 109 K CA 1.233 57.565 56.287 0.074 0.000 0.953 109 K CB 0.065 32.588 32.500 0.040 0.000 1.043 109 K HN 0.719 nan 8.250 nan 0.000 0.477 110 Q N 0.249 120.070 119.800 0.035 0.000 2.444 110 Q HA 0.160 4.500 4.340 -0.000 0.000 0.206 110 Q C -0.252 175.775 176.000 0.046 0.000 0.948 110 Q CA 0.268 56.086 55.803 0.025 0.000 0.946 110 Q CB 0.311 29.055 28.738 0.010 0.000 1.027 110 Q HN 0.202 nan 8.270 nan 0.000 0.513 111 L N 1.549 122.808 121.223 0.060 0.000 2.828 111 L HA 0.357 4.697 4.340 -0.000 0.000 0.233 111 L C -0.920 176.002 176.870 0.087 0.000 1.250 111 L CA -0.463 54.413 54.840 0.060 0.000 1.125 111 L CB 0.515 42.600 42.059 0.043 0.000 1.432 111 L HN 0.061 nan 8.230 nan 0.000 0.444 112 L N 2.393 123.690 121.223 0.122 0.000 2.969 112 L HA 0.416 4.756 4.340 -0.000 0.000 0.250 112 L C -1.753 175.255 176.870 0.229 0.000 0.953 112 L CA 0.090 55.032 54.840 0.170 0.000 1.066 112 L CB 1.124 43.299 42.059 0.194 0.000 1.497 112 L HN 0.141 nan 8.230 nan 0.000 0.512 113 L N 4.851 126.194 121.223 0.201 0.000 2.457 113 L HA 0.651 4.991 4.340 -0.000 0.000 0.266 113 L C -1.407 175.633 176.870 0.284 0.000 0.979 113 L CA -0.682 54.293 54.840 0.226 0.000 0.857 113 L CB 1.742 43.892 42.059 0.152 0.000 1.213 113 L HN 0.738 nan 8.230 nan 0.000 0.418 114 H N 2.328 121.506 119.070 0.179 0.000 3.539 114 H HA 0.198 4.754 4.556 -0.000 0.000 0.392 114 H C -0.672 174.780 175.328 0.207 0.000 1.684 114 H CA -0.715 55.378 56.048 0.074 0.000 1.639 114 H CB 0.279 29.996 29.762 -0.076 0.000 2.665 114 H HN 0.706 nan 8.280 nan 0.000 0.353 115 H N 2.130 121.204 119.070 0.007 0.000 3.011 115 H HA -0.075 4.481 4.556 -0.000 0.000 0.279 115 H C -0.593 175.004 175.328 0.448 0.000 1.286 115 H CA 0.782 56.928 56.048 0.164 0.000 1.135 115 H CB -1.114 28.848 29.762 0.333 0.000 1.309 115 H HN 0.766 nan 8.280 nan 0.000 0.393 116 T N -3.061 111.790 114.554 0.495 0.000 2.841 116 T HA 0.461 4.811 4.350 -0.000 0.000 0.296 116 T C 0.603 175.494 174.700 0.319 0.000 1.166 116 T CA -1.186 61.236 62.100 0.537 0.000 1.007 116 T CB 1.540 70.736 68.868 0.547 0.000 1.253 116 T HN -0.015 nan 8.240 nan 0.000 0.511 117 L N 1.343 122.704 121.223 0.230 0.000 2.549 117 L HA 0.274 4.613 4.340 -0.000 0.000 0.229 117 L C 2.295 179.211 176.870 0.076 0.000 1.158 117 L CA 1.993 56.910 54.840 0.129 0.000 0.842 117 L CB -1.502 40.586 42.059 0.048 0.000 0.952 117 L HN 1.289 nan 8.230 nan 0.000 0.452 118 G N -0.391 108.455 108.800 0.077 0.000 2.179 118 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.260 118 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.260 118 G C 0.972 175.865 174.900 -0.012 0.000 0.977 118 G CA 0.606 45.734 45.100 0.046 0.000 0.641 118 G HN 0.514 nan 8.290 nan 0.000 0.533 119 N N 0.875 119.543 118.700 -0.053 0.000 2.336 119 N HA 0.329 5.069 4.740 -0.000 0.000 0.189 119 N C 1.728 177.143 175.510 -0.158 0.000 1.113 119 N CA 1.148 54.146 53.050 -0.086 0.000 0.858 119 N CB -0.114 38.324 38.487 -0.081 0.000 0.970 119 N HN 1.652 nan 8.380 nan 0.000 0.471 120 G N 0.190 108.843 108.800 -0.245 0.000 2.199 120 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.254 120 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.254 120 G C -0.474 174.035 174.900 -0.653 0.000 0.982 120 G CA 0.264 45.101 45.100 -0.438 0.000 0.632 120 G HN 0.555 nan 8.290 nan 0.000 0.529 121 D N 0.073 120.206 120.400 -0.445 0.000 2.336 121 D HA 0.492 5.132 4.640 -0.000 0.000 0.249 121 D C 0.820 176.928 176.300 -0.320 0.000 1.213 121 D CA -0.573 53.218 54.000 -0.349 0.000 0.870 121 D CB 0.058 40.725 40.800 -0.223 0.000 1.076 121 D HN 0.017 nan 8.370 nan 0.000 0.483 122 F N 0.790 120.711 119.950 -0.048 0.000 2.714 122 F HA -0.001 4.526 4.527 0.000 0.000 0.294 122 F C 2.536 178.343 175.800 0.011 0.000 1.120 122 F CA 0.346 58.367 58.000 0.035 0.000 1.398 122 F CB -0.373 38.673 39.000 0.077 0.000 1.120 122 F HN 0.371 nan 8.300 nan 0.000 0.589 123 T N -3.367 111.254 114.554 0.113 0.000 3.113 123 T HA -0.024 4.326 4.350 -0.000 0.000 0.256 123 T C 2.093 176.752 174.700 -0.067 0.000 1.131 123 T CA 0.810 62.945 62.100 0.058 0.000 1.074 123 T CB -0.687 68.173 68.868 -0.013 0.000 0.944 123 T HN 0.103 nan 8.240 nan 0.000 0.516 124 V N 0.841 120.633 119.914 -0.205 0.000 2.287 124 V HA -0.121 3.999 4.120 -0.000 0.000 0.248 124 V C 1.989 177.949 176.094 -0.224 0.000 1.053 124 V CA 1.823 63.938 62.300 -0.308 0.000 1.027 124 V CB -0.798 30.727 31.823 -0.496 0.000 0.646 124 V HN 0.531 nan 8.190 nan 0.000 0.447 125 F N -0.149 119.783 119.950 -0.029 0.000 2.367 125 F HA 0.047 4.574 4.527 -0.000 0.000 0.298 125 F C 2.350 178.092 175.800 -0.097 0.000 1.094 125 F CA 1.291 59.238 58.000 -0.088 0.000 1.409 125 F CB -1.269 37.613 39.000 -0.197 0.000 1.064 125 F HN 0.388 nan 8.300 nan 0.000 0.528 126 H N 1.172 120.205 119.070 -0.062 0.000 2.363 126 H HA 0.021 4.577 4.556 -0.000 0.000 0.301 126 H C 2.120 177.248 175.328 -0.333 0.000 1.074 126 H CA 1.585 57.431 56.048 -0.336 0.000 1.354 126 H CB -0.084 29.623 29.762 -0.092 0.000 1.397 126 H HN 0.104 nan 8.280 nan 0.000 0.516 127 R N -0.500 119.889 120.500 -0.185 0.000 2.115 127 R HA -0.075 4.265 4.340 -0.000 0.000 0.230 127 R C 2.596 178.808 176.300 -0.146 0.000 1.111 127 R CA 1.495 57.458 56.100 -0.230 0.000 0.976 127 R CB -0.149 30.036 30.300 -0.191 0.000 0.870 127 R HN 0.381 nan 8.270 nan 0.000 0.445 128 M N -0.035 119.510 119.600 -0.091 0.000 2.117 128 M HA -0.126 4.354 4.480 -0.000 0.000 0.262 128 M C 2.137 178.376 176.300 -0.101 0.000 1.065 128 M CA 1.571 56.834 55.300 -0.061 0.000 1.114 128 M CB -0.109 32.499 32.600 0.015 0.000 1.361 128 M HN 0.006 nan 8.290 nan 0.000 0.408 129 S N 0.365 115.971 115.700 -0.156 0.000 2.481 129 S HA 0.036 4.506 4.470 -0.000 0.000 0.231 129 S C 1.943 176.438 174.600 -0.175 0.000 0.996 129 S CA 0.860 58.954 58.200 -0.177 0.000 0.942 129 S CB -0.251 62.769 63.200 -0.301 0.000 0.768 129 S HN 0.518 nan 8.310 nan 0.000 0.520 130 A N 2.557 125.277 122.820 -0.167 0.000 2.019 130 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 130 A C 1.843 179.341 177.584 -0.144 0.000 1.164 130 A CA 1.151 53.118 52.037 -0.116 0.000 0.644 130 A CB -0.429 18.503 19.000 -0.115 0.000 0.805 130 A HN 0.475 nan 8.150 nan 0.000 0.449 131 N N 0.193 118.791 118.700 -0.169 0.000 2.309 131 N HA -0.056 4.684 4.740 -0.000 0.000 0.182 131 N C 1.068 176.339 175.510 -0.397 0.000 1.018 131 N CA 1.586 54.513 53.050 -0.206 0.000 0.876 131 N CB -0.127 38.269 38.487 -0.152 0.000 0.972 131 N HN 0.794 nan 8.380 nan 0.000 0.434 132 I N -2.448 117.860 120.570 -0.436 0.000 3.283 132 I HA 0.386 4.556 4.170 -0.000 0.000 0.342 132 I C -0.745 175.046 176.117 -0.543 0.000 1.510 132 I CA -0.398 60.427 61.300 -0.792 0.000 1.006 132 I CB 0.384 38.089 38.000 -0.492 0.000 1.596 132 I HN -0.296 nan 8.210 nan 0.000 0.509 133 S N 0.915 116.424 115.700 -0.319 0.000 2.547 133 S HA 0.234 4.704 4.470 -0.000 0.000 0.281 133 S C 0.606 175.292 174.600 0.143 0.000 1.118 133 S CA -0.434 57.777 58.200 0.018 0.000 0.947 133 S CB 2.604 65.841 63.200 0.062 0.000 1.053 133 S HN 0.408 nan 8.310 nan 0.000 0.482 134 E N 2.010 122.350 120.200 0.233 0.000 2.160 134 E HA -0.070 4.280 4.350 -0.000 0.000 0.195 134 E C 0.673 177.342 176.600 0.115 0.000 0.991 134 E CA 1.520 58.028 56.400 0.180 0.000 0.810 134 E CB 0.230 29.991 29.700 0.101 0.000 0.742 134 E HN 0.610 nan 8.360 nan 0.000 0.466 135 T N -2.179 112.441 114.554 0.110 0.000 2.700 135 T HA 0.496 4.846 4.350 -0.000 0.000 0.307 135 T C -1.478 173.297 174.700 0.126 0.000 1.580 135 T CA -0.157 62.002 62.100 0.098 0.000 0.992 135 T CB 0.804 69.723 68.868 0.085 0.000 1.577 135 T HN 0.171 nan 8.240 nan 0.000 0.496 136 T N -0.521 114.116 114.554 0.139 0.000 2.816 136 T HA 0.903 5.253 4.350 -0.000 0.000 0.299 136 T C -1.158 173.630 174.700 0.147 0.000 1.230 136 T CA -0.413 61.796 62.100 0.183 0.000 1.007 136 T CB 1.508 70.538 68.868 0.270 0.000 1.289 136 T HN 1.598 nan 8.240 nan 0.000 0.508 137 A N 1.240 124.127 122.820 0.111 0.000 2.518 137 A HA 0.653 4.973 4.320 -0.000 0.000 0.295 137 A C -1.081 176.515 177.584 0.021 0.000 1.052 137 A CA -0.700 51.383 52.037 0.076 0.000 0.824 137 A CB 1.482 20.513 19.000 0.052 0.000 1.325 137 A HN 1.019 nan 8.150 nan 0.000 0.394 138 M N 4.376 124.005 119.600 0.049 0.000 2.060 138 M HA 0.524 5.004 4.480 -0.000 0.000 0.342 138 M C -0.910 175.407 176.300 0.029 0.000 1.031 138 M CA -0.649 54.666 55.300 0.024 0.000 0.981 138 M CB -0.366 32.296 32.600 0.103 0.000 1.376 138 M HN 0.555 nan 8.290 nan 0.000 0.397 139 I N 4.020 124.589 120.570 -0.002 0.000 2.710 139 I HA 0.040 4.210 4.170 -0.000 0.000 0.286 139 I C 0.917 177.032 176.117 -0.003 0.000 1.181 139 I CA 0.485 61.782 61.300 -0.006 0.000 1.430 139 I CB 0.594 38.580 38.000 -0.024 0.000 1.367 139 I HN 0.863 nan 8.210 nan 0.000 0.577 140 T N -0.562 113.991 114.554 -0.001 0.000 2.966 140 T HA 0.125 4.475 4.350 -0.000 0.000 0.254 140 T C -0.024 174.670 174.700 -0.009 0.000 0.961 140 T CA -0.303 61.797 62.100 -0.001 0.000 0.915 140 T CB 0.266 69.140 68.868 0.010 0.000 1.186 140 T HN 0.738 nan 8.240 nan 0.000 0.505 141 D N 1.557 121.949 120.400 -0.014 0.000 2.966 141 D HA 0.203 4.843 4.640 -0.000 0.000 0.222 141 D C 0.750 177.031 176.300 -0.032 0.000 1.292 141 D CA -0.745 53.243 54.000 -0.020 0.000 0.907 141 D CB 1.723 42.515 40.800 -0.014 0.000 1.621 141 D HN 0.103 nan 8.370 nan 0.000 0.557 142 I N 0.698 121.244 120.570 -0.039 0.000 2.381 142 I HA -0.216 3.954 4.170 -0.000 0.000 0.255 142 I C 2.473 178.552 176.117 -0.063 0.000 1.140 142 I CA 1.606 62.870 61.300 -0.059 0.000 1.404 142 I CB -1.298 36.668 38.000 -0.057 0.000 1.075 142 I HN 0.518 nan 8.210 nan 0.000 0.433 143 A N 0.729 123.523 122.820 -0.043 0.000 1.971 143 A HA -0.240 4.080 4.320 -0.000 0.000 0.222 143 A C 2.123 179.682 177.584 -0.043 0.000 1.182 143 A CA 2.861 54.875 52.037 -0.038 0.000 0.649 143 A CB -1.315 17.670 19.000 -0.024 0.000 0.818 143 A HN 0.716 nan 8.150 nan 0.000 0.458 144 T N -5.592 108.935 114.554 -0.044 0.000 3.399 144 T HA 0.622 4.972 4.350 -0.000 0.000 0.305 144 T C 1.099 175.767 174.700 -0.055 0.000 0.983 144 T CA 0.690 62.764 62.100 -0.042 0.000 0.967 144 T CB 0.151 69.007 68.868 -0.020 0.000 1.186 144 T HN 0.567 nan 8.240 nan 0.000 0.504 145 A N 3.310 126.083 122.820 -0.079 0.000 1.898 145 A HA 0.169 4.489 4.320 -0.000 0.000 0.216 145 A C 0.528 178.034 177.584 -0.130 0.000 1.181 145 A CA 1.140 53.124 52.037 -0.089 0.000 0.620 145 A CB -1.361 17.580 19.000 -0.098 0.000 0.819 145 A HN 0.540 nan 8.150 nan 0.000 0.442 146 P HA -0.173 nan 4.420 nan 0.000 0.215 146 P C 1.680 178.944 177.300 -0.061 0.000 1.157 146 P CA 2.054 64.940 63.100 -0.357 0.000 0.863 146 P CB -0.216 31.165 31.700 -0.532 0.000 0.787 147 A N 0.646 123.445 122.820 -0.035 0.000 1.883 147 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 147 A C 2.336 179.940 177.584 0.032 0.000 1.186 147 A CA 1.786 53.834 52.037 0.019 0.000 0.624 147 A CB -1.286 17.718 19.000 0.008 0.000 0.822 147 A HN 0.083 nan 8.150 nan 0.000 0.444 148 E N -0.056 120.152 120.200 0.013 0.000 2.085 148 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 148 E C 2.005 178.626 176.600 0.035 0.000 0.994 148 E CA 1.184 57.597 56.400 0.021 0.000 0.801 148 E CB -0.447 29.257 29.700 0.006 0.000 0.743 148 E HN 0.735 nan 8.360 nan 0.000 0.453 149 I N 1.415 122.013 120.570 0.047 0.000 2.179 149 I HA -0.287 3.883 4.170 -0.000 0.000 0.242 149 I C 1.913 178.080 176.117 0.084 0.000 1.088 149 I CA 1.288 62.632 61.300 0.074 0.000 1.357 149 I CB -0.325 37.767 38.000 0.154 0.000 1.051 149 I HN -0.002 nan 8.210 nan 0.000 0.409 150 D N 0.486 120.956 120.400 0.117 0.000 2.104 150 D HA -0.219 4.421 4.640 -0.000 0.000 0.194 150 D C 2.189 178.527 176.300 0.063 0.000 0.994 150 D CA 1.150 55.203 54.000 0.090 0.000 0.830 150 D CB -0.403 40.460 40.800 0.105 0.000 0.959 150 D HN 0.212 nan 8.370 nan 0.000 0.452 151 R N 0.208 120.744 120.500 0.060 0.000 2.091 151 R HA -0.142 4.198 4.340 -0.000 0.000 0.238 151 R C 2.263 178.597 176.300 0.057 0.000 1.136 151 R CA 1.444 57.577 56.100 0.056 0.000 0.959 151 R CB -0.483 29.846 30.300 0.050 0.000 0.856 151 R HN 0.215 nan 8.270 nan 0.000 0.437 152 C N 0.229 119.560 119.300 0.051 0.000 2.432 152 C HA -0.061 4.399 4.460 -0.000 0.000 0.277 152 C C 2.597 177.621 174.990 0.056 0.000 1.249 152 C CA 0.523 59.571 59.018 0.051 0.000 1.725 152 C CB -0.773 26.987 27.740 0.032 0.000 2.028 152 C HN 0.514 nan 8.230 nan 0.000 0.477 153 I N 0.547 121.145 120.570 0.047 0.000 2.179 153 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 153 I C 2.825 178.990 176.117 0.080 0.000 1.088 153 I CA 1.622 62.951 61.300 0.048 0.000 1.357 153 I CB -0.663 37.345 38.000 0.014 0.000 1.051 153 I HN 0.372 nan 8.210 nan 0.000 0.409 154 R N 0.840 121.385 120.500 0.076 0.000 2.070 154 R HA -0.165 4.175 4.340 -0.000 0.000 0.233 154 R C 2.287 178.660 176.300 0.122 0.000 1.137 154 R CA 2.243 58.405 56.100 0.103 0.000 0.945 154 R CB -0.417 29.932 30.300 0.082 0.000 0.845 154 R HN 0.198 nan 8.270 nan 0.000 0.430 155 T N 0.301 114.910 114.554 0.092 0.000 2.759 155 T HA -0.124 4.226 4.350 -0.000 0.000 0.269 155 T C 1.637 176.382 174.700 0.076 0.000 1.042 155 T CA 1.875 64.023 62.100 0.080 0.000 1.140 155 T CB -0.321 68.590 68.868 0.071 0.000 0.864 155 T HN 0.450 nan 8.240 nan 0.000 0.455 156 T N 0.839 115.447 114.554 0.090 0.000 2.643 156 T HA -0.117 4.233 4.350 -0.000 0.000 0.264 156 T C 1.607 176.355 174.700 0.080 0.000 1.045 156 T CA 1.370 63.520 62.100 0.084 0.000 1.155 156 T CB -0.596 68.332 68.868 0.100 0.000 0.863 156 T HN 0.427 nan 8.240 nan 0.000 0.420 157 Y N 1.738 122.042 120.300 0.007 0.000 2.145 157 Y HA -0.155 4.395 4.550 -0.000 0.000 0.286 157 Y C 2.410 178.296 175.900 -0.023 0.000 1.145 157 Y CA 0.836 58.931 58.100 -0.009 0.000 1.148 157 Y CB -0.707 37.754 38.460 0.000 0.000 0.981 157 Y HN -0.047 nan 8.280 nan 0.000 0.507 158 V N -0.222 119.725 119.914 0.055 0.000 2.332 158 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 158 V C 2.313 178.370 176.094 -0.062 0.000 1.055 158 V CA 2.629 64.930 62.300 0.002 0.000 1.038 158 V CB -1.215 30.666 31.823 0.096 0.000 0.651 158 V HN 0.711 nan 8.190 nan 0.000 0.450 159 T N -4.273 110.260 114.554 -0.036 0.000 3.040 159 T HA 0.054 4.404 4.350 -0.000 0.000 0.250 159 T C 0.782 175.442 174.700 -0.067 0.000 1.058 159 T CA -0.071 62.016 62.100 -0.023 0.000 0.988 159 T CB 0.163 69.031 68.868 0.001 0.000 0.993 159 T HN 0.337 nan 8.240 nan 0.000 0.519 160 Q N 1.045 120.763 119.800 -0.136 0.000 2.452 160 Q HA -0.144 4.196 4.340 -0.000 0.000 0.318 160 Q C -0.524 175.420 176.000 -0.093 0.000 1.386 160 Q CA 0.887 56.602 55.803 -0.147 0.000 0.872 160 Q CB -1.364 27.211 28.738 -0.271 0.000 1.151 160 Q HN 0.732 nan 8.270 nan 0.000 0.417 161 R N -0.831 119.623 120.500 -0.078 0.000 2.774 161 R HA 0.544 4.884 4.340 -0.000 0.000 0.272 161 R C -2.660 173.658 176.300 0.029 0.000 1.000 161 R CA -2.129 53.915 56.100 -0.093 0.000 0.906 161 R CB 1.595 31.782 30.300 -0.189 0.000 1.227 161 R HN -0.142 nan 8.270 nan 0.000 0.468 162 P HA 0.101 nan 4.420 nan 0.000 0.271 162 P C -0.896 176.491 177.300 0.145 0.000 1.216 162 P CA -0.177 62.999 63.100 0.127 0.000 0.776 162 P CB 0.705 32.490 31.700 0.141 0.000 0.881 163 V N 3.931 123.927 119.914 0.137 0.000 2.735 163 V HA 0.322 4.442 4.120 -0.000 0.000 0.310 163 V C -0.975 175.224 176.094 0.176 0.000 1.061 163 V CA -0.654 61.731 62.300 0.142 0.000 0.913 163 V CB 1.813 33.697 31.823 0.101 0.000 1.005 163 V HN 0.395 nan 8.190 nan 0.000 0.428 164 Y N 4.876 125.192 120.300 0.026 0.000 2.331 164 Y HA 0.669 5.219 4.550 -0.000 0.000 0.338 164 Y C -0.595 175.253 175.900 -0.087 0.000 0.976 164 Y CA -0.511 57.568 58.100 -0.035 0.000 1.137 164 Y CB 1.390 39.815 38.460 -0.058 0.000 1.172 164 Y HN 0.554 nan 8.280 nan 0.000 0.478 165 L N 6.554 127.542 121.223 -0.392 0.000 2.345 165 L HA 0.589 4.929 4.340 -0.000 0.000 0.274 165 L C -0.058 176.551 176.870 -0.435 0.000 0.999 165 L CA -0.665 54.007 54.840 -0.280 0.000 0.849 165 L CB 0.734 42.693 42.059 -0.166 0.000 1.220 165 L HN 0.906 nan 8.230 nan 0.000 0.422 166 G N 4.731 113.354 108.800 -0.295 0.000 2.333 166 G HA2 0.454 4.414 3.960 -0.000 0.000 0.290 166 G HA3 0.454 4.414 3.960 -0.000 0.000 0.290 166 G C -1.131 173.699 174.900 -0.117 0.000 1.150 166 G CA -0.320 44.654 45.100 -0.210 0.000 0.895 166 G HN 0.407 nan 8.290 nan 0.000 0.444 167 L N 5.208 126.368 121.223 -0.105 0.000 2.318 167 L HA 0.445 4.785 4.340 -0.000 0.000 0.277 167 L C -2.254 174.591 176.870 -0.042 0.000 1.008 167 L CA -1.939 52.864 54.840 -0.063 0.000 0.846 167 L CB 2.485 44.509 42.059 -0.059 0.000 1.220 167 L HN 0.270 nan 8.230 nan 0.000 0.423 168 P HA 0.182 nan 4.420 nan 0.000 0.276 168 P C 0.093 177.385 177.300 -0.015 0.000 1.230 168 P CA -0.131 62.937 63.100 -0.054 0.000 0.776 168 P CB 1.234 32.901 31.700 -0.056 0.000 0.888 169 A N 4.668 127.496 122.820 0.014 0.000 1.873 169 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 169 A C 1.855 179.455 177.584 0.026 0.000 1.193 169 A CA 2.120 54.190 52.037 0.054 0.000 0.629 169 A CB -1.540 17.534 19.000 0.123 0.000 0.826 169 A HN 0.724 nan 8.150 nan 0.000 0.447 170 N N 0.488 119.196 118.700 0.013 0.000 2.430 170 N HA -0.131 4.609 4.740 -0.000 0.000 0.186 170 N C 1.394 176.904 175.510 -0.001 0.000 1.032 170 N CA 1.549 54.602 53.050 0.004 0.000 0.893 170 N CB -0.513 37.972 38.487 -0.003 0.000 0.957 170 N HN 0.554 nan 8.380 nan 0.000 0.442 171 L N 0.752 121.973 121.223 -0.004 0.000 2.375 171 L HA 0.026 4.366 4.340 -0.000 0.000 0.215 171 L C 2.420 179.288 176.870 -0.003 0.000 1.108 171 L CA 0.208 55.042 54.840 -0.010 0.000 0.830 171 L CB -0.080 41.968 42.059 -0.019 0.000 0.959 171 L HN 0.056 nan 8.230 nan 0.000 0.457 172 V N -3.464 116.456 119.914 0.010 0.000 2.594 172 V HA -0.177 3.943 4.120 -0.000 0.000 0.253 172 V C 1.069 177.178 176.094 0.026 0.000 1.069 172 V CA 1.714 64.029 62.300 0.025 0.000 1.082 172 V CB -0.487 31.361 31.823 0.041 0.000 0.680 172 V HN 0.373 nan 8.190 nan 0.000 0.469 173 D N 0.379 120.788 120.400 0.015 0.000 2.388 173 D HA 0.354 4.994 4.640 -0.000 0.000 0.221 173 D C 0.497 176.800 176.300 0.005 0.000 1.133 173 D CA 0.041 54.049 54.000 0.013 0.000 0.831 173 D CB 0.577 41.382 40.800 0.008 0.000 0.962 173 D HN 0.453 nan 8.370 nan 0.000 0.502 174 L N 0.518 121.741 121.223 -0.001 0.000 2.431 174 L HA 0.300 4.640 4.340 -0.000 0.000 0.260 174 L C 0.654 177.517 176.870 -0.011 0.000 1.098 174 L CA -0.789 54.046 54.840 -0.009 0.000 0.800 174 L CB 0.797 42.845 42.059 -0.018 0.000 1.210 174 L HN -0.220 nan 8.230 nan 0.000 0.465 175 N N 0.318 119.010 118.700 -0.014 0.000 2.456 175 N HA 0.582 5.322 4.740 -0.000 0.000 0.296 175 N C -0.972 174.517 175.510 -0.035 0.000 1.102 175 N CA -0.335 52.707 53.050 -0.014 0.000 0.924 175 N CB 2.452 40.936 38.487 -0.004 0.000 1.186 175 N HN 0.338 nan 8.380 nan 0.000 0.492 176 V N -1.397 118.492 119.914 -0.042 0.000 2.962 176 V HA 0.623 4.743 4.120 -0.000 0.000 0.313 176 V C -2.743 173.332 176.094 -0.031 0.000 1.099 176 V CA -2.602 59.652 62.300 -0.077 0.000 0.971 176 V CB 1.900 33.608 31.823 -0.192 0.000 1.028 176 V HN 0.387 nan 8.190 nan 0.000 0.430 177 P HA 0.203 nan 4.420 nan 0.000 0.260 177 P C 0.812 178.141 177.300 0.048 0.000 1.207 177 P CA 0.639 63.744 63.100 0.008 0.000 0.780 177 P CB 0.938 32.639 31.700 0.002 0.000 0.789 178 A N 4.885 127.740 122.820 0.058 0.000 1.978 178 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 178 A C 2.102 179.735 177.584 0.082 0.000 1.170 178 A CA 1.688 53.777 52.037 0.087 0.000 0.636 178 A CB -0.842 18.195 19.000 0.061 0.000 0.810 178 A HN 0.378 nan 8.150 nan 0.000 0.448 179 K N 0.196 120.630 120.400 0.056 0.000 2.228 179 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 179 K C 1.533 178.170 176.600 0.062 0.000 1.045 179 K CA 1.378 57.693 56.287 0.046 0.000 0.931 179 K CB -0.633 31.886 32.500 0.032 0.000 0.727 179 K HN 0.525 nan 8.250 nan 0.000 0.458 180 L N 0.051 121.330 121.223 0.094 0.000 2.261 180 L HA -0.146 4.194 4.340 -0.000 0.000 0.216 180 L C 1.688 178.643 176.870 0.141 0.000 1.114 180 L CA 0.813 55.733 54.840 0.133 0.000 0.777 180 L CB -0.252 41.919 42.059 0.186 0.000 0.910 180 L HN 0.219 nan 8.230 nan 0.000 0.440 181 L N -0.979 120.310 121.223 0.109 0.000 2.591 181 L HA -0.045 4.295 4.340 -0.000 0.000 0.228 181 L C 2.093 178.963 176.870 0.000 0.000 1.133 181 L CA 0.133 54.982 54.840 0.015 0.000 0.880 181 L CB -0.159 41.877 42.059 -0.038 0.000 1.033 181 L HN 0.314 nan 8.230 nan 0.000 0.450 182 Q N -0.706 119.107 119.800 0.020 0.000 2.378 182 Q HA 0.007 4.347 4.340 -0.000 0.000 0.205 182 Q C 0.126 176.129 176.000 0.006 0.000 0.954 182 Q CA 0.641 56.450 55.803 0.009 0.000 0.901 182 Q CB 0.206 28.953 28.738 0.015 0.000 0.981 182 Q HN 0.290 nan 8.270 nan 0.000 0.483 183 T N 3.547 118.109 114.554 0.014 0.000 2.770 183 T HA 0.270 4.620 4.350 -0.000 0.000 0.297 183 T C -2.241 172.461 174.700 0.003 0.000 0.997 183 T CA -1.339 60.768 62.100 0.012 0.000 0.949 183 T CB 1.361 70.243 68.868 0.023 0.000 0.941 183 T HN 0.075 nan 8.240 nan 0.000 0.457 184 P HA 0.215 nan 4.420 nan 0.000 0.271 184 P C -0.336 176.956 177.300 -0.014 0.000 1.238 184 P CA -0.444 62.641 63.100 -0.026 0.000 0.794 184 P CB 0.935 32.617 31.700 -0.030 0.000 0.959 185 I N 0.762 121.315 120.570 -0.028 0.000 2.416 185 I HA 0.049 4.219 4.170 -0.000 0.000 0.288 185 I C 0.835 176.949 176.117 -0.005 0.000 1.051 185 I CA -0.186 61.108 61.300 -0.010 0.000 1.375 185 I CB 0.198 38.184 38.000 -0.023 0.000 1.407 185 I HN 0.338 nan 8.210 nan 0.000 0.516 186 D N 7.533 127.945 120.400 0.020 0.000 2.348 186 D HA 0.070 4.710 4.640 -0.000 0.000 0.259 186 D C 0.627 176.962 176.300 0.057 0.000 1.296 186 D CA -0.097 53.924 54.000 0.034 0.000 0.931 186 D CB 0.654 41.480 40.800 0.044 0.000 1.067 186 D HN 0.276 nan 8.370 nan 0.000 0.503 187 M N 1.692 121.324 119.600 0.054 0.000 2.530 187 M HA 0.115 4.595 4.480 -0.000 0.000 0.231 187 M C 0.103 176.512 176.300 0.181 0.000 1.180 187 M CA -0.051 55.324 55.300 0.125 0.000 0.985 187 M CB -0.970 31.650 32.600 0.033 0.000 1.623 187 M HN 0.129 nan 8.290 nan 0.000 0.475 188 S N 1.262 117.045 115.700 0.138 0.000 2.586 188 S HA 0.607 5.077 4.470 -0.000 0.000 0.274 188 S C 0.243 174.955 174.600 0.187 0.000 1.281 188 S CA -0.650 57.648 58.200 0.164 0.000 1.035 188 S CB 1.547 64.821 63.200 0.123 0.000 0.962 188 S HN 0.324 nan 8.310 nan 0.000 0.512 189 L N 2.443 123.832 121.223 0.275 0.000 2.334 189 L HA 0.419 4.759 4.340 -0.000 0.000 0.277 189 L C 0.128 177.188 176.870 0.317 0.000 1.075 189 L CA -0.946 54.086 54.840 0.320 0.000 0.804 189 L CB 0.666 42.959 42.059 0.389 0.000 1.174 189 L HN 0.454 nan 8.230 nan 0.000 0.438 190 K N 3.436 123.962 120.400 0.211 0.000 2.219 190 K HA 0.237 4.557 4.320 -0.000 0.000 0.258 190 K C -2.217 174.414 176.600 0.051 0.000 1.008 190 K CA -1.110 55.233 56.287 0.092 0.000 0.928 190 K CB 0.065 32.611 32.500 0.075 0.000 0.983 190 K HN 0.311 nan 8.250 nan 0.000 0.484 191 P HA -0.005 nan 4.420 nan 0.000 0.271 191 P C -0.910 176.392 177.300 0.003 0.000 1.218 191 P CA -0.069 62.893 63.100 -0.229 0.000 0.780 191 P CB 0.489 32.049 31.700 -0.234 0.000 0.901 192 N N 0.657 119.411 118.700 0.091 0.000 2.371 192 N HA 0.017 4.757 4.740 -0.000 0.000 0.243 192 N C 0.084 175.639 175.510 0.075 0.000 1.287 192 N CA -0.193 52.938 53.050 0.135 0.000 0.911 192 N CB 0.102 38.698 38.487 0.181 0.000 1.142 192 N HN 0.528 nan 8.380 nan 0.000 0.451 193 D N 0.056 120.506 120.400 0.083 0.000 2.401 193 D HA 0.148 4.788 4.640 -0.000 0.000 0.254 193 D C 0.796 177.130 176.300 0.057 0.000 1.192 193 D CA -0.147 53.892 54.000 0.063 0.000 0.885 193 D CB 0.769 41.613 40.800 0.073 0.000 1.147 193 D HN 0.534 nan 8.370 nan 0.000 0.478 194 A N 4.791 127.634 122.820 0.038 0.000 1.870 194 A HA -0.311 4.009 4.320 -0.000 0.000 0.219 194 A C 1.933 179.539 177.584 0.037 0.000 1.286 194 A CA 1.671 53.726 52.037 0.031 0.000 0.682 194 A CB -0.736 18.277 19.000 0.021 0.000 0.844 194 A HN 0.759 nan 8.150 nan 0.000 0.460 195 E N 0.163 120.388 120.200 0.041 0.000 2.209 195 E HA -0.111 4.239 4.350 -0.000 0.000 0.196 195 E C 2.346 178.984 176.600 0.063 0.000 0.993 195 E CA 1.328 57.755 56.400 0.047 0.000 0.819 195 E CB -0.514 29.215 29.700 0.048 0.000 0.745 195 E HN 0.658 nan 8.360 nan 0.000 0.477 196 S N 0.948 116.695 115.700 0.080 0.000 2.348 196 S HA -0.134 4.336 4.470 -0.000 0.000 0.219 196 S C 1.989 176.616 174.600 0.045 0.000 1.033 196 S CA 0.994 59.263 58.200 0.116 0.000 0.974 196 S CB -0.175 63.116 63.200 0.152 0.000 0.868 196 S HN 0.357 nan 8.310 nan 0.000 0.459 197 E N 1.874 122.098 120.200 0.040 0.000 2.097 197 E HA -0.269 4.081 4.350 -0.000 0.000 0.196 197 E C 2.159 178.743 176.600 -0.026 0.000 1.000 197 E CA 1.229 57.636 56.400 0.011 0.000 0.804 197 E CB -0.094 29.639 29.700 0.055 0.000 0.740 197 E HN 0.226 nan 8.360 nan 0.000 0.454 198 K N 1.299 121.699 120.400 -0.000 0.000 2.001 198 K HA -0.282 4.038 4.320 -0.000 0.000 0.214 198 K C 2.018 178.601 176.600 -0.029 0.000 1.050 198 K CA 2.197 58.482 56.287 -0.004 0.000 0.934 198 K CB -0.514 31.995 32.500 0.015 0.000 0.718 198 K HN 0.255 nan 8.250 nan 0.000 0.443 199 E N 0.092 120.281 120.200 -0.019 0.000 2.097 199 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 199 E C 2.045 178.548 176.600 -0.161 0.000 1.000 199 E CA 1.605 57.992 56.400 -0.021 0.000 0.804 199 E CB 0.049 29.805 29.700 0.093 0.000 0.740 199 E HN 0.173 nan 8.360 nan 0.000 0.454 200 V N 0.689 120.405 119.914 -0.330 0.000 2.287 200 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 200 V C 2.256 178.213 176.094 -0.228 0.000 1.053 200 V CA 1.697 63.701 62.300 -0.492 0.000 1.027 200 V CB -0.392 31.143 31.823 -0.479 0.000 0.646 200 V HN 0.282 nan 8.190 nan 0.000 0.447 201 I N 0.380 120.881 120.570 -0.115 0.000 2.090 201 I HA -0.222 3.948 4.170 -0.000 0.000 0.236 201 I C 2.153 178.248 176.117 -0.036 0.000 1.064 201 I CA 1.821 63.095 61.300 -0.043 0.000 1.324 201 I CB -0.839 37.154 38.000 -0.011 0.000 1.044 201 I HN 0.309 nan 8.210 nan 0.000 0.399 202 D N -0.063 120.320 120.400 -0.029 0.000 2.191 202 D HA -0.238 4.402 4.640 -0.000 0.000 0.190 202 D C 2.187 178.480 176.300 -0.013 0.000 1.007 202 D CA 2.237 56.230 54.000 -0.011 0.000 0.865 202 D CB -0.661 40.138 40.800 -0.002 0.000 0.929 202 D HN 0.325 nan 8.370 nan 0.000 0.447 203 T N -0.050 114.482 114.554 -0.037 0.000 2.857 203 T HA 0.011 4.361 4.350 -0.000 0.000 0.266 203 T C 2.147 176.830 174.700 -0.028 0.000 1.048 203 T CA 0.471 62.555 62.100 -0.027 0.000 1.139 203 T CB -0.131 68.712 68.868 -0.042 0.000 0.874 203 T HN 0.173 nan 8.240 nan 0.000 0.455 204 I N 0.855 121.399 120.570 -0.044 0.000 2.252 204 I HA -0.101 4.069 4.170 -0.000 0.000 0.245 204 I C 2.141 178.272 176.117 0.023 0.000 1.102 204 I CA 0.689 61.984 61.300 -0.009 0.000 1.385 204 I CB -0.309 37.701 38.000 0.018 0.000 1.064 204 I HN 0.168 nan 8.210 nan 0.000 0.414 205 L N 0.252 121.488 121.223 0.021 0.000 2.012 205 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 205 L C 2.661 179.549 176.870 0.030 0.000 1.073 205 L CA 1.704 56.562 54.840 0.031 0.000 0.748 205 L CB -1.225 40.847 42.059 0.023 0.000 0.891 205 L HN 0.139 nan 8.230 nan 0.000 0.431 206 V N -0.296 119.631 119.914 0.020 0.000 2.490 206 V HA -0.257 3.863 4.120 -0.000 0.000 0.250 206 V C 2.531 178.636 176.094 0.018 0.000 1.061 206 V CA 1.029 63.341 62.300 0.019 0.000 1.064 206 V CB -0.370 31.462 31.823 0.016 0.000 0.670 206 V HN 0.247 nan 8.190 nan 0.000 0.461 207 L N -0.745 120.487 121.223 0.015 0.000 2.109 207 L HA 0.007 4.347 4.340 -0.000 0.000 0.207 207 L C 2.121 178.996 176.870 0.008 0.000 1.086 207 L CA 1.664 56.508 54.840 0.006 0.000 0.760 207 L CB -0.690 41.369 42.059 0.000 0.000 0.910 207 L HN 0.234 nan 8.230 nan 0.000 0.437 208 I N -0.993 119.597 120.570 0.034 0.000 2.493 208 I HA -0.267 3.903 4.170 -0.000 0.000 0.254 208 I C 2.235 178.386 176.117 0.057 0.000 1.160 208 I CA 1.092 62.428 61.300 0.060 0.000 1.445 208 I CB -0.317 37.760 38.000 0.128 0.000 1.086 208 I HN 0.214 nan 8.210 nan 0.000 0.433 209 K N 0.574 121.004 120.400 0.048 0.000 2.076 209 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 209 K C 1.321 177.941 176.600 0.032 0.000 1.051 209 K CA 1.178 57.494 56.287 0.049 0.000 0.949 209 K CB -0.039 32.486 32.500 0.041 0.000 0.726 209 K HN 0.210 nan 8.250 nan 0.000 0.443 210 D N 0.729 121.139 120.400 0.017 0.000 2.347 210 D HA 0.012 4.652 4.640 -0.000 0.000 0.215 210 D C 0.290 176.586 176.300 -0.006 0.000 0.976 210 D CA 0.297 54.301 54.000 0.007 0.000 0.884 210 D CB -0.017 40.785 40.800 0.003 0.000 0.915 210 D HN 0.144 nan 8.370 nan 0.000 0.526 211 A N 0.676 123.485 122.820 -0.019 0.000 2.351 211 A HA 0.307 4.627 4.320 -0.000 0.000 0.257 211 A C 1.071 178.638 177.584 -0.029 0.000 1.087 211 A CA -0.161 51.846 52.037 -0.051 0.000 0.798 211 A CB 0.730 19.663 19.000 -0.112 0.000 1.033 211 A HN -0.180 nan 8.150 nan 0.000 0.488 212 K N 0.303 120.683 120.400 -0.033 0.000 2.438 212 K HA 0.146 4.466 4.320 -0.000 0.000 0.206 212 K C -0.340 176.261 176.600 0.003 0.000 1.081 212 K CA 0.212 56.500 56.287 0.001 0.000 1.053 212 K CB 0.410 32.909 32.500 -0.003 0.000 0.908 212 K HN 0.697 nan 8.250 nan 0.000 0.556 213 N N 0.971 119.640 118.700 -0.052 0.000 3.029 213 N HA 0.154 4.894 4.740 -0.000 0.000 0.198 213 N C -3.216 172.194 175.510 -0.167 0.000 1.444 213 N CA -0.836 52.180 53.050 -0.057 0.000 0.784 213 N CB 0.995 39.463 38.487 -0.031 0.000 1.539 213 N HN -0.178 nan 8.380 nan 0.000 0.582 214 P HA 0.431 nan 4.420 nan 0.000 0.278 214 P C -0.845 176.218 177.300 -0.396 0.000 1.258 214 P CA -0.527 62.272 63.100 -0.502 0.000 0.811 214 P CB 1.266 32.373 31.700 -0.989 0.000 1.063 215 V N -1.678 118.099 119.914 -0.228 0.000 2.971 215 V HA 0.565 4.685 4.120 -0.000 0.000 0.309 215 V C -0.732 175.381 176.094 0.032 0.000 1.130 215 V CA -0.906 61.384 62.300 -0.017 0.000 0.964 215 V CB 2.003 33.873 31.823 0.079 0.000 1.029 215 V HN 0.306 nan 8.190 nan 0.000 0.427 216 I N 3.648 124.289 120.570 0.117 0.000 2.331 216 I HA 0.476 4.646 4.170 -0.000 0.000 0.292 216 I C -0.966 175.202 176.117 0.085 0.000 0.998 216 I CA -0.526 60.823 61.300 0.081 0.000 1.267 216 I CB 1.703 39.736 38.000 0.055 0.000 1.386 216 I HN 0.500 nan 8.210 nan 0.000 0.476 217 L N 7.165 128.409 121.223 0.035 0.000 2.342 217 L HA 0.608 4.948 4.340 -0.000 0.000 0.276 217 L C -0.104 176.793 176.870 0.045 0.000 0.997 217 L CA -0.316 54.553 54.840 0.048 0.000 0.838 217 L CB 1.309 43.329 42.059 -0.065 0.000 1.224 217 L HN 0.643 nan 8.230 nan 0.000 0.416 218 A N 3.589 126.453 122.820 0.074 0.000 2.320 218 A HA 0.594 4.914 4.320 -0.000 0.000 0.287 218 A C -0.408 177.221 177.584 0.074 0.000 1.181 218 A CA -0.359 51.707 52.037 0.048 0.000 0.831 218 A CB 0.210 19.237 19.000 0.046 0.000 1.102 218 A HN 0.724 nan 8.150 nan 0.000 0.513 219 D N 1.429 121.852 120.400 0.038 0.000 2.650 219 D HA 0.616 5.256 4.640 -0.000 0.000 0.255 219 D C 1.486 177.790 176.300 0.006 0.000 1.135 219 D CA 0.225 54.253 54.000 0.048 0.000 1.099 219 D CB 1.729 42.554 40.800 0.042 0.000 1.273 219 D HN 0.401 nan 8.370 nan 0.000 0.628 220 A N -0.192 122.625 122.820 -0.006 0.000 1.958 220 A HA -0.195 4.125 4.320 -0.000 0.000 0.221 220 A C 1.948 179.509 177.584 -0.038 0.000 1.178 220 A CA 1.624 53.652 52.037 -0.014 0.000 0.642 220 A CB -0.807 18.174 19.000 -0.031 0.000 0.816 220 A HN 0.566 nan 8.150 nan 0.000 0.453 221 C N -0.622 118.582 119.300 -0.160 0.000 2.480 221 C HA 0.176 4.636 4.460 -0.000 0.000 0.317 221 C C 2.238 177.047 174.990 -0.301 0.000 1.300 221 C CA -0.267 58.526 59.018 -0.375 0.000 1.706 221 C CB -2.127 25.221 27.740 -0.654 0.000 1.840 221 C HN 0.838 nan 8.230 nan 0.000 0.596 222 C N -0.722 118.521 119.300 -0.095 0.000 2.791 222 C HA 0.107 4.567 4.460 -0.000 0.000 0.288 222 C C 2.682 177.695 174.990 0.039 0.000 1.271 222 C CA 0.717 59.705 59.018 -0.049 0.000 1.726 222 C CB -1.282 26.433 27.740 -0.040 0.000 2.145 222 C HN 0.598 nan 8.230 nan 0.000 0.572 223 S N 2.539 118.307 115.700 0.113 0.000 2.325 223 S HA -0.018 4.452 4.470 -0.000 0.000 0.214 223 S C 1.505 176.187 174.600 0.137 0.000 1.031 223 S CA 0.680 58.989 58.200 0.182 0.000 0.972 223 S CB -0.593 62.840 63.200 0.390 0.000 0.908 223 S HN 0.613 nan 8.310 nan 0.000 0.453 224 R N 0.906 121.532 120.500 0.209 0.000 2.978 224 R HA 0.361 4.700 4.340 -0.000 0.000 0.298 224 R C -0.385 175.934 176.300 0.031 0.000 1.296 224 R CA 0.079 56.236 56.100 0.096 0.000 1.181 224 R CB -0.242 30.088 30.300 0.050 0.000 1.348 224 R HN 0.534 nan 8.270 nan 0.000 0.585 225 H N -0.522 118.513 119.070 -0.058 0.000 2.510 225 H HA 0.116 4.672 4.556 -0.000 0.000 0.266 225 H C -0.592 174.677 175.328 -0.098 0.000 1.146 225 H CA -0.996 54.998 56.048 -0.090 0.000 0.993 225 H CB 0.203 29.925 29.762 -0.066 0.000 1.727 225 H HN 0.157 nan 8.280 nan 0.000 0.590 226 D N 0.009 120.407 120.400 -0.003 0.000 2.699 226 D HA -0.167 4.473 4.640 -0.000 0.000 0.239 226 D C -0.235 176.053 176.300 -0.021 0.000 1.136 226 D CA 0.681 54.675 54.000 -0.011 0.000 0.668 226 D CB -1.078 39.713 40.800 -0.015 0.000 1.060 226 D HN 0.306 nan 8.370 nan 0.000 0.429 227 V N 0.391 120.295 119.914 -0.016 0.000 3.355 227 V HA 0.141 4.261 4.120 -0.000 0.000 0.330 227 V C 1.530 177.592 176.094 -0.053 0.000 1.479 227 V CA -0.266 62.004 62.300 -0.049 0.000 1.150 227 V CB 0.561 32.345 31.823 -0.065 0.000 1.044 227 V HN 0.143 nan 8.190 nan 0.000 0.501 228 K N 0.841 121.221 120.400 -0.033 0.000 2.057 228 K HA 0.071 4.391 4.320 -0.000 0.000 0.206 228 K C 2.078 178.652 176.600 -0.043 0.000 1.050 228 K CA 1.426 57.693 56.287 -0.034 0.000 0.935 228 K CB -0.339 32.148 32.500 -0.021 0.000 0.715 228 K HN 0.525 nan 8.250 nan 0.000 0.439 229 A N 1.842 124.640 122.820 -0.037 0.000 1.837 229 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 229 A C 2.030 179.580 177.584 -0.057 0.000 1.210 229 A CA 2.153 54.168 52.037 -0.036 0.000 0.632 229 A CB -0.893 18.093 19.000 -0.023 0.000 0.843 229 A HN 0.310 nan 8.150 nan 0.000 0.448 230 E N -0.522 119.638 120.200 -0.067 0.000 2.236 230 E HA -0.188 4.162 4.350 -0.000 0.000 0.205 230 E C 2.015 178.536 176.600 -0.133 0.000 1.028 230 E CA 2.067 58.408 56.400 -0.099 0.000 0.827 230 E CB -0.685 28.945 29.700 -0.116 0.000 0.735 230 E HN 0.687 nan 8.360 nan 0.000 0.470 231 T N 0.119 114.599 114.554 -0.124 0.000 2.732 231 T HA -0.091 4.259 4.350 -0.000 0.000 0.261 231 T C 1.699 176.328 174.700 -0.119 0.000 1.040 231 T CA 1.328 63.346 62.100 -0.136 0.000 1.145 231 T CB -0.129 68.674 68.868 -0.108 0.000 0.866 231 T HN -0.030 nan 8.240 nan 0.000 0.427 232 K N 1.368 121.716 120.400 -0.088 0.000 2.097 232 K HA 0.009 4.329 4.320 -0.000 0.000 0.206 232 K C 2.143 178.698 176.600 -0.075 0.000 1.049 232 K CA 1.133 57.376 56.287 -0.073 0.000 0.933 232 K CB -0.208 32.269 32.500 -0.038 0.000 0.717 232 K HN 0.271 nan 8.250 nan 0.000 0.442 233 K N 0.175 120.527 120.400 -0.079 0.000 2.097 233 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 233 K C 1.919 178.447 176.600 -0.120 0.000 1.049 233 K CA 0.966 57.204 56.287 -0.082 0.000 0.933 233 K CB -0.160 32.296 32.500 -0.074 0.000 0.717 233 K HN 0.001 nan 8.250 nan 0.000 0.442 234 L N 1.580 122.714 121.223 -0.148 0.000 2.017 234 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 234 L C 1.960 178.698 176.870 -0.220 0.000 1.073 234 L CA 1.611 56.334 54.840 -0.194 0.000 0.745 234 L CB -0.286 41.649 42.059 -0.207 0.000 0.894 234 L HN 0.245 nan 8.230 nan 0.000 0.432 235 I N -0.665 119.799 120.570 -0.177 0.000 2.208 235 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 235 I C 2.035 178.075 176.117 -0.128 0.000 1.097 235 I CA 1.347 62.542 61.300 -0.175 0.000 1.363 235 I CB -0.636 37.231 38.000 -0.221 0.000 1.051 235 I HN 0.299 nan 8.210 nan 0.000 0.413 236 D N 0.927 121.279 120.400 -0.081 0.000 2.077 236 D HA -0.128 4.512 4.640 -0.000 0.000 0.196 236 D C 2.173 178.414 176.300 -0.099 0.000 0.986 236 D CA 1.212 55.189 54.000 -0.039 0.000 0.829 236 D CB -0.428 40.359 40.800 -0.021 0.000 0.983 236 D HN 0.086 nan 8.370 nan 0.000 0.453 237 L N 0.573 121.712 121.223 -0.140 0.000 2.043 237 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 237 L C 2.568 179.275 176.870 -0.272 0.000 1.075 237 L CA 2.071 56.810 54.840 -0.169 0.000 0.752 237 L CB -0.940 41.019 42.059 -0.166 0.000 0.891 237 L HN 0.243 nan 8.230 nan 0.000 0.432 238 T N -6.226 108.037 114.554 -0.486 0.000 3.010 238 T HA -0.054 4.296 4.350 -0.000 0.000 0.252 238 T C 1.183 175.488 174.700 -0.659 0.000 1.047 238 T CA 0.404 61.940 62.100 -0.940 0.000 1.140 238 T CB 0.168 67.731 68.868 -2.174 0.000 0.885 238 T HN 0.287 nan 8.240 nan 0.000 0.464 239 Q N -0.192 119.396 119.800 -0.354 0.000 2.424 239 Q HA -0.119 4.221 4.340 -0.000 0.000 0.234 239 Q C -0.712 175.337 176.000 0.081 0.000 0.748 239 Q CA 0.371 56.151 55.803 -0.038 0.000 1.286 239 Q CB -2.333 26.480 28.738 0.124 0.000 1.494 239 Q HN 0.577 nan 8.270 nan 0.000 0.683 240 F N 1.066 120.897 119.950 -0.198 0.000 2.586 240 F HA 0.176 4.703 4.527 -0.000 0.000 0.344 240 F C -1.230 174.533 175.800 -0.062 0.000 1.188 240 F CA -1.699 56.175 58.000 -0.209 0.000 1.359 240 F CB -0.826 38.032 39.000 -0.236 0.000 1.129 240 F HN -0.139 nan 8.300 nan 0.000 0.609 241 P HA 0.345 nan 4.420 nan 0.000 0.275 241 P C -1.246 176.009 177.300 -0.076 0.000 1.227 241 P CA -0.173 62.940 63.100 0.022 0.000 0.781 241 P CB 0.832 32.593 31.700 0.101 0.000 0.906 242 A N 2.966 125.601 122.820 -0.309 0.000 2.350 242 A HA 0.819 5.139 4.320 -0.000 0.000 0.324 242 A C -1.194 176.084 177.584 -0.511 0.000 1.118 242 A CA -0.359 51.545 52.037 -0.221 0.000 0.783 242 A CB 0.483 19.403 19.000 -0.133 0.000 1.236 242 A HN 0.388 nan 8.150 nan 0.000 0.457 243 F N 0.333 120.305 119.950 0.037 0.000 2.613 243 F HA 0.624 5.151 4.527 -0.000 0.000 0.314 243 F C 0.130 176.004 175.800 0.124 0.000 1.075 243 F CA -0.731 57.294 58.000 0.042 0.000 0.945 243 F CB 2.474 41.468 39.000 -0.009 0.000 1.310 243 F HN 0.564 nan 8.300 nan 0.000 0.467 244 V N -1.439 118.697 119.914 0.371 0.000 2.769 244 V HA 0.857 4.977 4.120 -0.000 0.000 0.312 244 V C -0.212 176.051 176.094 0.281 0.000 1.061 244 V CA -0.693 61.771 62.300 0.274 0.000 0.931 244 V CB 1.231 33.192 31.823 0.229 0.000 1.010 244 V HN 0.914 nan 8.190 nan 0.000 0.433 245 T N 0.222 114.928 114.554 0.254 0.000 2.824 245 T HA 0.505 4.855 4.350 -0.000 0.000 0.277 245 T C -1.292 173.511 174.700 0.172 0.000 0.975 245 T CA -1.316 60.967 62.100 0.305 0.000 0.966 245 T CB 1.272 70.333 68.868 0.320 0.000 1.054 245 T HN 0.666 nan 8.240 nan 0.000 0.533 246 P HA -0.030 nan 4.420 nan 0.000 0.225 246 P C 1.268 178.572 177.300 0.006 0.000 1.148 246 P CA 1.135 64.255 63.100 0.034 0.000 0.779 246 P CB 0.001 31.707 31.700 0.010 0.000 0.780 247 M N -1.803 117.813 119.600 0.028 0.000 2.465 247 M HA 0.170 4.650 4.480 -0.000 0.000 0.249 247 M C 1.989 178.296 176.300 0.012 0.000 1.130 247 M CA 0.829 56.131 55.300 0.004 0.000 1.067 247 M CB -0.033 32.566 32.600 -0.002 0.000 1.394 247 M HN -0.060 nan 8.290 nan 0.000 0.483 248 G N 0.230 109.058 108.800 0.048 0.000 2.744 248 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.211 248 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.211 248 G C 0.618 175.543 174.900 0.041 0.000 1.146 248 G CA -0.249 44.885 45.100 0.055 0.000 0.787 248 G HN 0.258 nan 8.290 nan 0.000 0.534 249 K N 0.768 121.184 120.400 0.027 0.000 2.430 249 K HA 0.339 4.659 4.320 -0.000 0.000 0.280 249 K C 1.218 177.829 176.600 0.019 0.000 1.063 249 K CA 0.886 57.178 56.287 0.007 0.000 1.071 249 K CB -0.131 32.327 32.500 -0.071 0.000 0.899 249 K HN 0.217 nan 8.250 nan 0.000 0.473 250 G N 1.952 110.803 108.800 0.084 0.000 2.545 250 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.195 250 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.195 250 G C 0.615 175.605 174.900 0.150 0.000 1.009 250 G CA 0.174 45.333 45.100 0.098 0.000 0.703 250 G HN 0.668 nan 8.290 nan 0.000 0.479 251 S N -0.034 115.738 115.700 0.119 0.000 2.575 251 S HA 0.567 5.037 4.470 -0.000 0.000 0.215 251 S C 0.563 175.199 174.600 0.059 0.000 0.966 251 S CA 0.127 58.418 58.200 0.153 0.000 0.911 251 S CB 0.490 63.777 63.200 0.144 0.000 0.780 251 S HN 0.329 nan 8.310 nan 0.000 0.514 252 I N 2.643 123.218 120.570 0.010 0.000 2.498 252 I HA 0.351 4.520 4.170 -0.000 0.000 0.290 252 I C -0.720 175.310 176.117 -0.144 0.000 1.032 252 I CA -1.141 60.118 61.300 -0.069 0.000 1.073 252 I CB 1.708 39.663 38.000 -0.074 0.000 1.251 252 I HN 0.068 nan 8.210 nan 0.000 0.426 253 D N 5.725 126.056 120.400 -0.114 0.000 2.368 253 D HA -0.012 4.628 4.640 -0.000 0.000 0.268 253 D C 0.953 177.103 176.300 -0.249 0.000 1.298 253 D CA 0.449 54.387 54.000 -0.103 0.000 0.938 253 D CB 0.722 41.517 40.800 -0.007 0.000 1.101 253 D HN 0.459 nan 8.370 nan 0.000 0.509 254 E N 2.681 122.664 120.200 -0.363 0.000 2.516 254 E HA -0.111 4.239 4.350 -0.000 0.000 0.199 254 E C 0.745 177.254 176.600 -0.153 0.000 1.069 254 E CA 0.294 56.303 56.400 -0.650 0.000 0.876 254 E CB 0.246 29.657 29.700 -0.482 0.000 0.843 254 E HN 0.592 nan 8.360 nan 0.000 0.530 255 Q N -0.112 119.666 119.800 -0.037 0.000 2.319 255 Q HA 0.017 4.357 4.340 -0.000 0.000 0.209 255 Q C 0.685 176.729 176.000 0.074 0.000 0.884 255 Q CA 0.111 55.937 55.803 0.038 0.000 0.938 255 Q CB 0.159 28.909 28.738 0.019 0.000 1.098 255 Q HN 0.378 nan 8.270 nan 0.000 0.517 256 H N 2.342 121.404 119.070 -0.014 0.000 2.948 256 H HA -0.003 4.553 4.556 -0.000 0.000 0.351 256 H C -1.643 173.714 175.328 0.050 0.000 1.079 256 H CA -0.921 55.132 56.048 0.009 0.000 1.407 256 H CB 1.279 31.037 29.762 -0.006 0.000 1.373 256 H HN -0.159 nan 8.280 nan 0.000 0.605 257 P HA -0.070 nan 4.420 nan 0.000 0.217 257 P C 1.072 178.484 177.300 0.186 0.000 1.150 257 P CA 1.107 64.220 63.100 0.022 0.000 0.832 257 P CB 0.403 32.025 31.700 -0.129 0.000 0.787 258 R N -2.113 118.663 120.500 0.459 0.000 2.310 258 R HA 0.087 4.427 4.340 -0.000 0.000 0.202 258 R C 0.354 176.667 176.300 0.021 0.000 0.933 258 R CA -0.243 55.982 56.100 0.208 0.000 1.054 258 R CB -1.186 29.235 30.300 0.202 0.000 0.985 258 R HN 0.304 nan 8.270 nan 0.000 0.489 259 Y N 0.943 121.220 120.300 -0.038 0.000 2.544 259 Y HA 0.224 4.774 4.550 -0.000 0.000 0.330 259 Y C 1.378 177.118 175.900 -0.266 0.000 1.136 259 Y CA -0.197 57.789 58.100 -0.189 0.000 1.417 259 Y CB 0.834 39.254 38.460 -0.067 0.000 1.229 259 Y HN 0.073 nan 8.280 nan 0.000 0.532 260 G N 2.768 110.872 108.800 -1.160 0.000 2.833 260 G HA2 0.455 4.415 3.960 -0.000 0.000 0.210 260 G HA3 0.455 4.415 3.960 -0.000 0.000 0.210 260 G C 0.352 174.884 174.900 -0.614 0.000 1.139 260 G CA 0.334 44.882 45.100 -0.919 0.000 0.771 260 G HN 1.322 nan 8.290 nan 0.000 0.535 261 G N -1.353 106.809 108.800 -1.064 0.000 2.354 261 G HA2 0.220 4.180 3.960 -0.000 0.000 0.582 261 G HA3 0.220 4.180 3.960 -0.000 0.000 0.582 261 G C -1.208 173.689 174.900 -0.005 0.000 1.316 261 G CA -0.407 44.433 45.100 -0.433 0.000 0.995 261 G HN 0.640 nan 8.290 nan 0.000 0.573 262 V N 0.483 120.439 119.914 0.071 0.000 2.465 262 V HA 0.476 4.596 4.120 -0.000 0.000 0.279 262 V C -0.172 175.993 176.094 0.118 0.000 1.045 262 V CA -0.351 62.024 62.300 0.124 0.000 0.938 262 V CB 1.317 33.156 31.823 0.026 0.000 0.986 262 V HN 0.797 nan 8.190 nan 0.000 0.467 263 Y N 5.686 126.047 120.300 0.102 0.000 2.594 263 Y HA 0.488 5.038 4.550 -0.000 0.000 0.342 263 Y C 0.537 176.541 175.900 0.173 0.000 1.010 263 Y CA -0.735 57.404 58.100 0.065 0.000 1.270 263 Y CB 1.214 39.695 38.460 0.036 0.000 1.125 263 Y HN 0.484 nan 8.280 nan 0.000 0.513 264 V N 4.447 124.144 119.914 -0.361 0.000 2.852 264 V HA 0.616 4.736 4.120 -0.000 0.000 0.359 264 V C 1.023 176.874 176.094 -0.406 0.000 1.244 264 V CA 0.007 62.173 62.300 -0.223 0.000 1.371 264 V CB -0.655 30.985 31.823 -0.304 0.000 1.491 264 V HN 1.062 nan 8.190 nan 0.000 0.603 265 G N 2.902 111.199 108.800 -0.839 0.000 2.672 265 G HA2 -0.456 3.504 3.960 -0.000 0.000 0.324 265 G HA3 -0.456 3.504 3.960 -0.000 0.000 0.324 265 G C 1.144 175.798 174.900 -0.410 0.000 1.286 265 G CA 1.695 46.413 45.100 -0.637 0.000 1.004 265 G HN 1.581 nan 8.290 nan 0.000 0.548 266 T N -0.315 114.147 114.554 -0.154 0.000 3.139 266 T HA 0.242 4.592 4.350 -0.000 0.000 0.267 266 T C 2.007 176.607 174.700 -0.168 0.000 1.164 266 T CA 1.708 63.735 62.100 -0.121 0.000 1.075 266 T CB -0.109 68.743 68.868 -0.027 0.000 0.904 266 T HN 0.540 nan 8.240 nan 0.000 0.540 267 L N 0.856 121.918 121.223 -0.269 0.000 2.667 267 L HA 0.295 4.635 4.340 -0.000 0.000 0.232 267 L C 0.869 177.584 176.870 -0.260 0.000 1.138 267 L CA -0.457 54.210 54.840 -0.289 0.000 0.921 267 L CB 0.022 41.822 42.059 -0.431 0.000 1.180 267 L HN 0.160 nan 8.230 nan 0.000 0.487 268 S N -0.139 115.393 115.700 -0.281 0.000 2.626 268 S HA 0.204 4.674 4.470 -0.000 0.000 0.257 268 S C 0.258 174.767 174.600 -0.153 0.000 1.288 268 S CA -0.429 57.627 58.200 -0.240 0.000 0.980 268 S CB 0.735 63.743 63.200 -0.321 0.000 0.975 268 S HN 0.130 nan 8.310 nan 0.000 0.577 269 K N 1.592 121.926 120.400 -0.110 0.000 2.276 269 K HA 0.201 4.521 4.320 -0.000 0.000 0.283 269 K C -1.861 174.700 176.600 -0.064 0.000 1.044 269 K CA -1.886 54.357 56.287 -0.072 0.000 0.944 269 K CB 0.538 33.009 32.500 -0.047 0.000 1.012 269 K HN 0.225 nan 8.250 nan 0.000 0.472 270 P HA -0.318 nan 4.420 nan 0.000 0.217 270 P C 0.834 178.113 177.300 -0.035 0.000 1.158 270 P CA 1.512 64.584 63.100 -0.046 0.000 0.887 270 P CB 0.183 31.861 31.700 -0.037 0.000 0.792 271 E N -0.456 119.732 120.200 -0.021 0.000 2.097 271 E HA -0.148 4.202 4.350 -0.000 0.000 0.196 271 E C 1.987 178.586 176.600 -0.002 0.000 1.000 271 E CA 1.537 57.934 56.400 -0.005 0.000 0.804 271 E CB -1.608 28.097 29.700 0.008 0.000 0.740 271 E HN 0.152 nan 8.360 nan 0.000 0.454 272 V N 1.854 121.766 119.914 -0.003 0.000 2.358 272 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 272 V C 2.669 178.729 176.094 -0.057 0.000 1.047 272 V CA 2.085 64.380 62.300 -0.008 0.000 1.035 272 V CB -0.735 31.095 31.823 0.012 0.000 0.658 272 V HN 0.205 nan 8.190 nan 0.000 0.452 273 K N 0.023 120.399 120.400 -0.040 0.000 2.026 273 K HA -0.231 4.089 4.320 -0.000 0.000 0.208 273 K C 2.213 178.802 176.600 -0.017 0.000 1.048 273 K CA 1.754 58.042 56.287 0.002 0.000 0.929 273 K CB -0.062 32.406 32.500 -0.054 0.000 0.713 273 K HN 0.344 nan 8.250 nan 0.000 0.439 274 E N 0.324 120.499 120.200 -0.042 0.000 2.072 274 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 274 E C 1.727 178.281 176.600 -0.078 0.000 0.985 274 E CA 1.271 57.642 56.400 -0.049 0.000 0.801 274 E CB -0.317 29.363 29.700 -0.033 0.000 0.750 274 E HN 0.417 nan 8.360 nan 0.000 0.452 275 A N 0.261 123.026 122.820 -0.092 0.000 1.883 275 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 275 A C 2.490 179.912 177.584 -0.269 0.000 1.186 275 A CA 1.884 53.852 52.037 -0.115 0.000 0.624 275 A CB -0.833 18.148 19.000 -0.032 0.000 0.822 275 A HN 0.161 nan 8.150 nan 0.000 0.444 276 V N -0.030 119.614 119.914 -0.451 0.000 2.307 276 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 276 V C 2.279 178.168 176.094 -0.341 0.000 1.045 276 V CA 2.100 64.066 62.300 -0.558 0.000 1.024 276 V CB -0.889 30.506 31.823 -0.713 0.000 0.651 276 V HN 0.619 nan 8.190 nan 0.000 0.449 277 E N 0.686 120.759 120.200 -0.211 0.000 2.338 277 E HA -0.130 4.220 4.350 -0.000 0.000 0.197 277 E C 2.055 178.587 176.600 -0.114 0.000 1.007 277 E CA 1.243 57.560 56.400 -0.138 0.000 0.849 277 E CB -0.109 29.552 29.700 -0.066 0.000 0.774 277 E HN 0.732 nan 8.360 nan 0.000 0.506 278 S N -0.073 115.558 115.700 -0.114 0.000 2.575 278 S HA 0.267 4.737 4.470 -0.000 0.000 0.215 278 S C 0.674 175.220 174.600 -0.090 0.000 0.966 278 S CA -0.315 57.836 58.200 -0.082 0.000 0.911 278 S CB 0.394 63.559 63.200 -0.059 0.000 0.780 278 S HN 0.159 nan 8.310 nan 0.000 0.514 279 A N 2.463 125.206 122.820 -0.128 0.000 2.363 279 A HA 0.453 4.773 4.320 -0.000 0.000 0.270 279 A C 0.935 178.446 177.584 -0.122 0.000 1.121 279 A CA -0.181 51.776 52.037 -0.134 0.000 0.800 279 A CB 0.354 19.243 19.000 -0.184 0.000 1.052 279 A HN 0.509 nan 8.150 nan 0.000 0.493 280 D N 1.234 121.569 120.400 -0.109 0.000 2.349 280 D HA 0.178 4.818 4.640 -0.000 0.000 0.214 280 D C -0.126 176.114 176.300 -0.100 0.000 1.063 280 D CA 0.123 54.069 54.000 -0.090 0.000 0.847 280 D CB 0.177 40.937 40.800 -0.067 0.000 0.933 280 D HN 0.283 nan 8.370 nan 0.000 0.513 281 L N 0.259 121.401 121.223 -0.135 0.000 2.505 281 L HA 0.524 4.864 4.340 -0.000 0.000 0.259 281 L C -2.086 174.685 176.870 -0.165 0.000 0.952 281 L CA -0.941 53.818 54.840 -0.136 0.000 0.840 281 L CB 2.256 44.228 42.059 -0.144 0.000 1.358 281 L HN -0.069 nan 8.230 nan 0.000 0.409 282 I N 5.383 125.867 120.570 -0.145 0.000 2.478 282 I HA 0.394 4.564 4.170 -0.000 0.000 0.287 282 I C -0.987 175.079 176.117 -0.085 0.000 1.042 282 I CA -0.501 60.699 61.300 -0.166 0.000 1.067 282 I CB 1.989 39.819 38.000 -0.285 0.000 1.233 282 I HN 0.425 nan 8.210 nan 0.000 0.431 283 L N 5.208 126.417 121.223 -0.024 0.000 2.264 283 L HA 0.355 4.695 4.340 -0.000 0.000 0.287 283 L C 0.284 177.192 176.870 0.065 0.000 1.039 283 L CA -0.166 54.732 54.840 0.097 0.000 0.829 283 L CB 1.324 43.474 42.059 0.153 0.000 1.211 283 L HN 0.534 nan 8.230 nan 0.000 0.427 284 S N 3.090 118.837 115.700 0.078 0.000 2.415 284 S HA 0.377 4.847 4.470 -0.000 0.000 0.313 284 S C -0.198 174.457 174.600 0.092 0.000 1.067 284 S CA -0.534 57.683 58.200 0.029 0.000 1.099 284 S CB 0.549 63.734 63.200 -0.024 0.000 0.991 284 S HN 0.287 nan 8.310 nan 0.000 0.491 285 V N 4.956 124.884 119.914 0.024 0.000 2.432 285 V HA 0.512 4.632 4.120 -0.000 0.000 0.271 285 V C 1.211 177.255 176.094 -0.083 0.000 1.046 285 V CA 0.444 62.721 62.300 -0.040 0.000 0.945 285 V CB 0.444 32.188 31.823 -0.131 0.000 0.992 285 V HN 1.163 nan 8.190 nan 0.000 0.471 286 G N 4.442 113.160 108.800 -0.137 0.000 2.272 286 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.280 286 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.280 286 G C 0.341 175.098 174.900 -0.239 0.000 1.067 286 G CA -0.032 44.929 45.100 -0.232 0.000 0.902 286 G HN 1.493 nan 8.290 nan 0.000 0.500 287 A N -1.177 121.441 122.820 -0.336 0.000 2.531 287 A HA 0.682 5.002 4.320 -0.000 0.000 0.236 287 A C 1.073 178.592 177.584 -0.109 0.000 1.062 287 A CA 1.369 53.261 52.037 -0.241 0.000 0.760 287 A CB 0.737 19.536 19.000 -0.334 0.000 0.995 287 A HN 1.569 nan 8.150 nan 0.000 0.501 288 L N 1.658 122.893 121.223 0.019 0.000 1.918 288 L HA 0.354 4.694 4.340 -0.000 0.000 0.150 288 L C -0.068 176.839 176.870 0.062 0.000 1.315 288 L CA 0.113 54.965 54.840 0.019 0.000 1.085 288 L CB -0.375 41.619 42.059 -0.108 0.000 2.248 288 L HN 0.569 nan 8.230 nan 0.000 0.481 289 L N 1.070 122.327 121.223 0.056 0.000 2.467 289 L HA 0.482 4.822 4.340 -0.000 0.000 0.270 289 L C 0.063 177.039 176.870 0.177 0.000 1.205 289 L CA 1.015 55.893 54.840 0.063 0.000 0.828 289 L CB 0.743 42.816 42.059 0.024 0.000 1.101 289 L HN 0.603 nan 8.230 nan 0.000 0.479 290 S N 0.338 116.167 115.700 0.215 0.000 2.587 290 S HA 0.356 4.826 4.470 -0.000 0.000 0.269 290 S C -1.281 173.486 174.600 0.278 0.000 1.154 290 S CA -1.260 57.065 58.200 0.209 0.000 0.824 290 S CB 0.652 63.952 63.200 0.167 0.000 1.118 290 S HN 0.459 nan 8.310 nan 0.000 0.462 291 D N 1.444 121.919 120.400 0.126 0.000 3.683 291 D HA 0.256 4.896 4.640 -0.000 0.000 0.201 291 D C -0.373 176.047 176.300 0.199 0.000 1.100 291 D CA 1.743 55.798 54.000 0.091 0.000 0.742 291 D CB -0.831 39.985 40.800 0.026 0.000 1.168 291 D HN 0.636 nan 8.370 nan 0.000 0.585 292 F N 0.229 120.209 119.950 0.051 0.000 2.665 292 F HA 0.484 5.011 4.527 -0.000 0.000 0.308 292 F C -1.213 174.538 175.800 -0.083 0.000 1.112 292 F CA -1.205 56.779 58.000 -0.027 0.000 0.972 292 F CB 1.208 40.172 39.000 -0.060 0.000 1.295 292 F HN -0.024 nan 8.300 nan 0.000 0.440 293 N N 1.138 119.841 118.700 0.004 0.000 2.362 293 N HA 0.741 5.481 4.740 -0.000 0.000 0.299 293 N C -1.219 174.242 175.510 -0.083 0.000 1.170 293 N CA -0.490 52.461 53.050 -0.165 0.000 0.825 293 N CB 2.208 40.630 38.487 -0.109 0.000 1.299 293 N HN 0.821 nan 8.380 nan 0.000 0.502 294 T N -1.305 113.108 114.554 -0.235 0.000 2.843 294 T HA 0.398 4.748 4.350 -0.000 0.000 0.302 294 T C 1.177 175.814 174.700 -0.105 0.000 1.232 294 T CA -0.436 61.573 62.100 -0.151 0.000 1.009 294 T CB 1.555 70.302 68.868 -0.201 0.000 1.254 294 T HN 0.522 nan 8.240 nan 0.000 0.504 295 G N 0.654 109.437 108.800 -0.028 0.000 2.499 295 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.221 295 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.221 295 G C 1.342 176.257 174.900 0.026 0.000 1.109 295 G CA 1.406 46.510 45.100 0.008 0.000 0.749 295 G HN 0.578 nan 8.290 nan 0.000 0.568 296 S N -1.002 114.726 115.700 0.045 0.000 2.506 296 S HA 0.405 4.875 4.470 -0.000 0.000 0.230 296 S C 0.321 174.974 174.600 0.088 0.000 1.066 296 S CA 0.395 58.635 58.200 0.068 0.000 0.940 296 S CB 0.137 63.402 63.200 0.108 0.000 0.818 296 S HN 0.533 nan 8.310 nan 0.000 0.518 297 F N -0.345 119.578 119.950 -0.045 0.000 2.869 297 F HA 0.839 5.366 4.527 0.000 0.000 0.325 297 F C -1.024 174.728 175.800 -0.080 0.000 1.184 297 F CA -1.206 56.743 58.000 -0.084 0.000 0.951 297 F CB 0.982 39.910 39.000 -0.121 0.000 1.421 297 F HN -0.302 nan 8.300 nan 0.000 0.501 298 S N -0.129 115.573 115.700 0.003 0.000 2.542 298 S HA 0.593 5.063 4.470 -0.000 0.000 0.293 298 S C -2.235 172.371 174.600 0.011 0.000 1.089 298 S CA -0.538 57.567 58.200 -0.158 0.000 0.961 298 S CB 1.643 64.786 63.200 -0.096 0.000 1.062 298 S HN 0.721 nan 8.310 nan 0.000 0.483 299 Y N 1.485 121.546 120.300 -0.399 0.000 2.354 299 Y HA 0.636 5.186 4.550 -0.000 0.000 0.330 299 Y C -0.632 175.095 175.900 -0.288 0.000 1.011 299 Y CA -0.134 57.768 58.100 -0.331 0.000 1.099 299 Y CB 1.593 39.652 38.460 -0.668 0.000 1.179 299 Y HN 0.634 nan 8.280 nan 0.000 0.442 300 S N 5.361 120.826 115.700 -0.392 0.000 2.582 300 S HA 0.369 4.839 4.470 -0.000 0.000 0.287 300 S C -2.152 172.300 174.600 -0.247 0.000 1.146 300 S CA -0.605 57.410 58.200 -0.309 0.000 0.941 300 S CB 0.198 63.313 63.200 -0.141 0.000 1.115 300 S HN 0.475 nan 8.310 nan 0.000 0.458 301 Y N 3.989 124.183 120.300 -0.177 0.000 2.465 301 Y HA 0.304 4.854 4.550 -0.000 0.000 0.331 301 Y C 1.763 177.575 175.900 -0.147 0.000 1.102 301 Y CA -0.709 57.252 58.100 -0.231 0.000 1.358 301 Y CB 0.610 38.947 38.460 -0.204 0.000 1.213 301 Y HN 0.640 nan 8.280 nan 0.000 0.525 302 K N 1.296 121.700 120.400 0.007 0.000 2.020 302 K HA -0.176 4.144 4.320 -0.000 0.000 0.212 302 K C 0.793 177.384 176.600 -0.015 0.000 1.050 302 K CA 1.470 57.745 56.287 -0.021 0.000 0.929 302 K CB -0.093 32.376 32.500 -0.052 0.000 0.714 302 K HN 0.758 nan 8.250 nan 0.000 0.443 303 T N -0.145 114.392 114.554 -0.029 0.000 2.902 303 T HA 0.200 4.550 4.350 -0.000 0.000 0.280 303 T C 0.824 175.526 174.700 0.003 0.000 0.992 303 T CA -0.344 61.739 62.100 -0.028 0.000 1.015 303 T CB 1.075 69.906 68.868 -0.062 0.000 1.044 303 T HN 0.140 nan 8.240 nan 0.000 0.520 304 K N 1.326 121.727 120.400 0.001 0.000 2.360 304 K HA 0.141 4.461 4.320 -0.000 0.000 0.196 304 K C 0.387 176.990 176.600 0.006 0.000 1.049 304 K CA -0.144 56.155 56.287 0.019 0.000 1.049 304 K CB 0.185 32.696 32.500 0.018 0.000 0.881 304 K HN 0.381 nan 8.250 nan 0.000 0.542 305 N N 2.233 120.923 118.700 -0.017 0.000 2.671 305 N HA 0.089 4.829 4.740 -0.000 0.000 0.274 305 N C -1.200 174.285 175.510 -0.042 0.000 1.188 305 N CA 0.294 53.329 53.050 -0.025 0.000 1.065 305 N CB -0.248 38.218 38.487 -0.035 0.000 1.415 305 N HN 0.080 nan 8.380 nan 0.000 0.511 306 I N 1.195 121.750 120.570 -0.025 0.000 2.608 306 I HA 0.323 4.493 4.170 -0.000 0.000 0.295 306 I C -0.564 175.530 176.117 -0.038 0.000 1.049 306 I CA -1.257 60.018 61.300 -0.041 0.000 1.063 306 I CB 2.229 40.218 38.000 -0.019 0.000 1.248 306 I HN -0.129 nan 8.210 nan 0.000 0.424 307 V N 4.821 124.696 119.914 -0.066 0.000 2.304 307 V HA 0.250 4.370 4.120 -0.000 0.000 0.278 307 V C -0.218 175.756 176.094 -0.200 0.000 1.018 307 V CA -0.595 61.618 62.300 -0.145 0.000 0.814 307 V CB 1.079 32.806 31.823 -0.159 0.000 1.021 307 V HN 0.687 nan 8.190 nan 0.000 0.440 308 E N 4.352 124.432 120.200 -0.199 0.000 2.194 308 E HA 0.384 4.734 4.350 -0.000 0.000 0.284 308 E C -1.115 175.232 176.600 -0.422 0.000 1.035 308 E CA -0.274 55.993 56.400 -0.222 0.000 0.836 308 E CB 1.093 30.746 29.700 -0.077 0.000 1.070 308 E HN 0.506 nan 8.360 nan 0.000 0.401 309 F N 3.460 123.229 119.950 -0.303 0.000 2.390 309 F HA 0.189 4.716 4.527 -0.000 0.000 0.361 309 F C 0.732 176.267 175.800 -0.442 0.000 1.124 309 F CA -0.301 57.535 58.000 -0.274 0.000 1.149 309 F CB 0.505 39.392 39.000 -0.190 0.000 1.160 309 F HN 0.391 nan 8.300 nan 0.000 0.501 310 H N 0.840 119.830 119.070 -0.133 0.000 2.573 310 H HA 0.177 4.733 4.556 -0.000 0.000 0.351 310 H C 1.066 176.369 175.328 -0.041 0.000 1.163 310 H CA -0.032 55.916 56.048 -0.167 0.000 1.205 310 H CB 2.026 31.503 29.762 -0.475 0.000 1.605 310 H HN 0.582 nan 8.280 nan 0.000 0.525 311 S N 0.747 116.534 115.700 0.144 0.000 2.374 311 S HA -0.208 4.262 4.470 -0.000 0.000 0.227 311 S C 0.987 175.689 174.600 0.170 0.000 1.037 311 S CA 1.860 60.155 58.200 0.157 0.000 1.024 311 S CB -0.079 63.290 63.200 0.282 0.000 0.861 311 S HN 0.803 nan 8.310 nan 0.000 0.456 312 D N 0.593 121.151 120.400 0.262 0.000 2.469 312 D HA 0.091 4.730 4.640 -0.000 0.000 0.213 312 D C 0.580 177.082 176.300 0.336 0.000 1.135 312 D CA -0.121 54.032 54.000 0.255 0.000 0.834 312 D CB -0.104 40.822 40.800 0.209 0.000 1.009 312 D HN 0.742 nan 8.370 nan 0.000 0.507 313 H N -2.198 116.953 119.070 0.135 0.000 2.902 313 H HA 0.518 5.074 4.556 -0.000 0.000 0.297 313 H C -1.498 173.921 175.328 0.152 0.000 1.406 313 H CA -0.974 55.150 56.048 0.126 0.000 1.134 313 H CB 0.680 30.487 29.762 0.075 0.000 1.833 313 H HN -0.247 nan 8.280 nan 0.000 0.527 314 M N 1.155 120.820 119.600 0.108 0.000 2.393 314 M HA 0.361 4.841 4.480 -0.000 0.000 0.316 314 M C -0.613 175.773 176.300 0.143 0.000 1.087 314 M CA -0.790 54.505 55.300 -0.008 0.000 0.937 314 M CB 1.721 34.288 32.600 -0.054 0.000 1.668 314 M HN 0.689 nan 8.290 nan 0.000 0.438 315 K N 3.799 124.221 120.400 0.037 0.000 2.527 315 K HA 0.576 4.896 4.320 -0.000 0.000 0.240 315 K C -1.565 175.064 176.600 0.050 0.000 0.989 315 K CA 0.039 56.393 56.287 0.111 0.000 0.985 315 K CB 0.220 32.804 32.500 0.141 0.000 1.221 315 K HN 0.695 nan 8.250 nan 0.000 0.458 316 I N 5.822 126.469 120.570 0.129 0.000 2.307 316 I HA 0.289 4.459 4.170 -0.000 0.000 0.287 316 I C 0.643 176.810 176.117 0.082 0.000 1.054 316 I CA -0.607 60.742 61.300 0.082 0.000 1.218 316 I CB 0.790 38.879 38.000 0.148 0.000 1.398 316 I HN 0.781 nan 8.210 nan 0.000 0.475 317 R N 3.636 124.163 120.500 0.044 0.000 3.442 317 R HA -0.301 4.039 4.340 -0.000 0.000 0.216 317 R C 0.912 177.241 176.300 0.048 0.000 0.747 317 R CA 2.193 58.317 56.100 0.040 0.000 1.290 317 R CB -0.977 29.344 30.300 0.035 0.000 0.787 317 R HN 0.615 nan 8.270 nan 0.000 0.625 318 N N -0.455 118.270 118.700 0.042 0.000 2.257 318 N HA 0.391 5.131 4.740 -0.000 0.000 0.200 318 N C -0.906 174.611 175.510 0.011 0.000 1.163 318 N CA 0.669 53.737 53.050 0.029 0.000 0.891 318 N CB 1.122 39.618 38.487 0.015 0.000 1.067 318 N HN 0.491 nan 8.380 nan 0.000 0.497 319 A N 0.186 123.011 122.820 0.008 0.000 2.354 319 A HA 0.582 4.902 4.320 -0.000 0.000 0.269 319 A C -0.078 177.469 177.584 -0.061 0.000 1.109 319 A CA 0.218 52.204 52.037 -0.086 0.000 0.800 319 A CB 0.337 19.252 19.000 -0.141 0.000 1.045 319 A HN 0.044 nan 8.150 nan 0.000 0.489 320 T N 2.362 116.814 114.554 -0.171 0.000 2.809 320 T HA 0.507 4.857 4.350 -0.000 0.000 0.284 320 T C -1.110 173.499 174.700 -0.152 0.000 0.992 320 T CA 0.092 62.181 62.100 -0.019 0.000 0.957 320 T CB 0.067 68.960 68.868 0.041 0.000 0.942 320 T HN 0.334 nan 8.240 nan 0.000 0.439 321 F N 6.036 126.027 119.950 0.069 0.000 2.309 321 F HA 0.310 4.837 4.527 0.000 0.000 0.366 321 F C -1.733 174.127 175.800 0.101 0.000 1.104 321 F CA -2.733 55.303 58.000 0.060 0.000 1.179 321 F CB 0.551 39.572 39.000 0.036 0.000 1.437 321 F HN 0.259 nan 8.300 nan 0.000 0.528 322 P HA 0.131 nan 4.420 nan 0.000 0.269 322 P C 0.866 178.259 177.300 0.156 0.000 1.209 322 P CA 0.716 63.899 63.100 0.139 0.000 0.776 322 P CB 1.467 33.188 31.700 0.036 0.000 0.876 323 G N 1.656 110.549 108.800 0.156 0.000 2.284 323 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.261 323 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.261 323 G C 0.127 175.130 174.900 0.172 0.000 0.997 323 G CA 0.150 45.338 45.100 0.146 0.000 0.621 323 G HN 0.529 nan 8.290 nan 0.000 0.534 324 V N 2.789 122.819 119.914 0.193 0.000 2.287 324 V HA 0.283 4.403 4.120 -0.000 0.000 0.246 324 V C 0.937 177.128 176.094 0.161 0.000 1.165 324 V CA 0.124 62.527 62.300 0.172 0.000 1.088 324 V CB 0.422 32.333 31.823 0.148 0.000 1.242 324 V HN 0.521 nan 8.190 nan 0.000 0.497 325 Q N 3.688 123.590 119.800 0.169 0.000 2.330 325 Q HA 0.077 4.417 4.340 -0.000 0.000 0.279 325 Q C 1.519 177.561 176.000 0.070 0.000 1.024 325 Q CA 0.158 56.028 55.803 0.111 0.000 0.900 325 Q CB 0.859 29.637 28.738 0.066 0.000 1.221 325 Q HN 0.835 nan 8.270 nan 0.000 0.396 326 M N 2.045 121.683 119.600 0.064 0.000 2.065 326 M HA -0.248 4.232 4.480 -0.000 0.000 0.259 326 M C 1.801 178.099 176.300 -0.005 0.000 1.069 326 M CA 1.846 57.224 55.300 0.129 0.000 1.110 326 M CB -0.378 32.325 32.600 0.171 0.000 1.328 326 M HN 0.558 nan 8.290 nan 0.000 0.405 327 K N 0.204 120.493 120.400 -0.184 0.000 2.077 327 K HA -0.192 4.128 4.320 -0.000 0.000 0.213 327 K C 1.588 178.078 176.600 -0.183 0.000 1.051 327 K CA 2.369 58.487 56.287 -0.281 0.000 0.929 327 K CB -0.321 31.886 32.500 -0.488 0.000 0.715 327 K HN 0.445 nan 8.250 nan 0.000 0.451 328 F N 0.149 120.129 119.950 0.050 0.000 2.367 328 F HA -0.057 4.470 4.527 -0.000 0.000 0.298 328 F C 2.204 178.030 175.800 0.043 0.000 1.094 328 F CA 0.304 58.328 58.000 0.040 0.000 1.409 328 F CB -0.635 38.392 39.000 0.045 0.000 1.064 328 F HN -0.156 nan 8.300 nan 0.000 0.528 329 V N -0.522 119.515 119.914 0.204 0.000 2.407 329 V HA -0.186 3.934 4.120 -0.000 0.000 0.245 329 V C 2.407 178.587 176.094 0.143 0.000 1.041 329 V CA 0.842 63.245 62.300 0.171 0.000 1.040 329 V CB -0.543 31.391 31.823 0.185 0.000 0.671 329 V HN 0.165 nan 8.190 nan 0.000 0.455 330 L N 0.010 121.283 121.223 0.084 0.000 2.043 330 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 330 L C 2.462 179.308 176.870 -0.040 0.000 1.075 330 L CA 1.957 56.746 54.840 -0.085 0.000 0.752 330 L CB -0.922 41.003 42.059 -0.223 0.000 0.891 330 L HN 0.415 nan 8.230 nan 0.000 0.432 331 Q N -1.204 118.609 119.800 0.021 0.000 1.990 331 Q HA -0.186 4.154 4.340 -0.000 0.000 0.200 331 Q C 2.070 178.090 176.000 0.033 0.000 0.980 331 Q CA 1.298 57.120 55.803 0.033 0.000 0.832 331 Q CB -0.171 28.620 28.738 0.089 0.000 0.897 331 Q HN 0.277 nan 8.270 nan 0.000 0.427 332 K N 0.875 121.311 120.400 0.060 0.000 2.218 332 K HA -0.151 4.169 4.320 -0.000 0.000 0.205 332 K C 1.968 178.586 176.600 0.029 0.000 1.046 332 K CA 0.735 57.048 56.287 0.044 0.000 0.933 332 K CB -0.492 32.040 32.500 0.053 0.000 0.728 332 K HN 0.254 nan 8.250 nan 0.000 0.454 333 L N 0.901 122.144 121.223 0.034 0.000 1.988 333 L HA -0.119 4.220 4.340 -0.000 0.000 0.207 333 L C 2.132 178.999 176.870 -0.005 0.000 1.071 333 L CA 1.428 56.285 54.840 0.028 0.000 0.744 333 L CB -0.861 41.232 42.059 0.056 0.000 0.893 333 L HN 0.089 nan 8.230 nan 0.000 0.433 334 L N 0.003 121.208 121.223 -0.029 0.000 2.189 334 L HA -0.242 4.098 4.340 -0.000 0.000 0.214 334 L C 2.421 179.272 176.870 -0.032 0.000 1.097 334 L CA 1.725 56.536 54.840 -0.049 0.000 0.764 334 L CB -0.825 41.197 42.059 -0.062 0.000 0.900 334 L HN 0.297 nan 8.230 nan 0.000 0.436 335 T N -1.032 113.514 114.554 -0.014 0.000 2.951 335 T HA -0.007 4.343 4.350 -0.000 0.000 0.268 335 T C 1.658 176.354 174.700 -0.006 0.000 1.073 335 T CA 1.183 63.278 62.100 -0.008 0.000 1.134 335 T CB 0.018 68.887 68.868 0.001 0.000 0.884 335 T HN 0.452 nan 8.240 nan 0.000 0.479 336 A N -0.258 122.561 122.820 -0.002 0.000 2.343 336 A HA 0.449 4.769 4.320 -0.000 0.000 0.223 336 A C 1.920 179.504 177.584 0.001 0.000 1.214 336 A CA -0.225 51.813 52.037 0.002 0.000 0.900 336 A CB -0.239 18.765 19.000 0.007 0.000 0.942 336 A HN 0.472 nan 8.150 nan 0.000 0.507 337 I N -0.594 119.972 120.570 -0.008 0.000 2.500 337 I HA -0.129 4.041 4.170 -0.000 0.000 0.252 337 I C 2.692 178.797 176.117 -0.019 0.000 1.142 337 I CA 0.892 62.185 61.300 -0.011 0.000 1.451 337 I CB -0.092 37.888 38.000 -0.034 0.000 1.093 337 I HN 0.383 nan 8.210 nan 0.000 0.430 338 A N 0.608 123.411 122.820 -0.027 0.000 1.899 338 A HA -0.420 3.900 4.320 -0.000 0.000 0.230 338 A C 2.097 179.676 177.584 -0.008 0.000 1.593 338 A CA 2.784 54.805 52.037 -0.026 0.000 0.728 338 A CB -1.273 17.716 19.000 -0.018 0.000 0.848 338 A HN 0.510 nan 8.150 nan 0.000 0.490 339 D N -0.910 119.492 120.400 0.004 0.000 2.144 339 D HA 0.024 4.664 4.640 -0.000 0.000 0.200 339 D C 2.060 178.377 176.300 0.029 0.000 0.978 339 D CA 1.285 55.294 54.000 0.015 0.000 0.833 339 D CB -0.176 40.633 40.800 0.015 0.000 0.961 339 D HN 0.436 nan 8.370 nan 0.000 0.470 340 A N 0.135 122.974 122.820 0.033 0.000 2.239 340 A HA 0.176 4.496 4.320 -0.000 0.000 0.209 340 A C 1.689 179.322 177.584 0.082 0.000 1.171 340 A CA 1.229 53.298 52.037 0.053 0.000 0.768 340 A CB -0.015 19.017 19.000 0.052 0.000 0.790 340 A HN 0.215 nan 8.150 nan 0.000 0.478 341 A N -1.013 121.845 122.820 0.064 0.000 2.538 341 A HA 0.330 4.649 4.320 -0.000 0.000 0.269 341 A C 1.564 179.211 177.584 0.104 0.000 1.231 341 A CA 0.484 52.575 52.037 0.091 0.000 0.948 341 A CB -0.144 18.836 19.000 -0.033 0.000 1.110 341 A HN 0.409 nan 8.150 nan 0.000 0.529 342 K N 0.406 120.854 120.400 0.079 0.000 1.991 342 K HA -0.125 4.195 4.320 -0.000 0.000 0.212 342 K C 1.373 178.026 176.600 0.089 0.000 1.049 342 K CA 1.735 58.062 56.287 0.067 0.000 0.932 342 K CB -0.344 32.183 32.500 0.045 0.000 0.717 342 K HN 0.369 nan 8.250 nan 0.000 0.441 343 G N 0.382 109.240 108.800 0.095 0.000 3.562 343 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.279 343 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.279 343 G C -0.529 174.436 174.900 0.109 0.000 1.314 343 G CA -0.457 44.691 45.100 0.079 0.000 1.189 343 G HN 0.324 nan 8.290 nan 0.000 0.562 344 Y N 1.653 121.991 120.300 0.065 0.000 2.411 344 Y HA 0.351 4.901 4.550 -0.000 0.000 0.333 344 Y C 0.576 176.522 175.900 0.076 0.000 1.186 344 Y CA -1.194 56.965 58.100 0.099 0.000 1.381 344 Y CB 0.866 39.432 38.460 0.176 0.000 1.273 344 Y HN 0.197 nan 8.280 nan 0.000 0.546 345 K N 6.317 126.165 120.400 -0.920 0.000 2.257 345 K HA 0.424 4.744 4.320 -0.000 0.000 0.270 345 K C -2.948 173.037 176.600 -1.025 0.000 1.098 345 K CA -1.859 54.001 56.287 -0.712 0.000 0.943 345 K CB 0.749 33.029 32.500 -0.367 0.000 1.316 345 K HN 0.328 nan 8.250 nan 0.000 0.447 346 P HA -0.146 nan 4.420 nan 0.000 0.225 346 P C -0.491 176.783 177.300 -0.042 0.000 1.054 346 P CA 0.097 63.121 63.100 -0.127 0.000 1.244 346 P CB -0.056 31.655 31.700 0.018 0.000 1.310 347 V N 2.656 122.596 119.914 0.044 0.000 2.814 347 V HA 0.046 4.166 4.120 -0.000 0.000 0.307 347 V C 1.213 177.356 176.094 0.082 0.000 1.089 347 V CA -0.044 62.297 62.300 0.069 0.000 1.212 347 V CB -0.133 31.776 31.823 0.143 0.000 0.912 347 V HN 0.505 nan 8.190 nan 0.000 0.497 348 A N 4.823 127.673 122.820 0.050 0.000 2.445 348 A HA 0.510 4.830 4.320 -0.000 0.000 0.242 348 A C -0.200 177.424 177.584 0.065 0.000 1.075 348 A CA -0.068 51.997 52.037 0.046 0.000 0.777 348 A CB 0.551 19.568 19.000 0.029 0.000 1.013 348 A HN 0.705 nan 8.150 nan 0.000 0.493 349 V N 3.127 123.068 119.914 0.045 0.000 2.864 349 V HA 0.459 4.579 4.120 -0.000 0.000 0.314 349 V C -2.059 174.048 176.094 0.022 0.000 1.073 349 V CA -1.524 60.795 62.300 0.031 0.000 0.956 349 V CB 1.816 33.610 31.823 -0.048 0.000 1.023 349 V HN 0.938 nan 8.190 nan 0.000 0.435 350 P HA 0.328 nan 4.420 nan 0.000 0.268 350 P C -0.869 176.426 177.300 -0.009 0.000 1.208 350 P CA 0.008 63.121 63.100 0.022 0.000 0.777 350 P CB 0.441 32.169 31.700 0.047 0.000 0.875 351 A N 2.446 125.266 122.820 0.000 0.000 2.293 351 A HA 0.421 4.741 4.320 -0.000 0.000 0.302 351 A C 0.470 178.056 177.584 0.003 0.000 1.119 351 A CA -0.613 51.426 52.037 0.003 0.000 0.823 351 A CB 0.445 19.450 19.000 0.008 0.000 1.097 351 A HN 0.402 nan 8.150 nan 0.000 0.491 352 R N 0.313 120.823 120.500 0.017 0.000 2.905 352 R HA 0.190 4.530 4.340 -0.000 0.000 0.273 352 R C -0.241 176.067 176.300 0.014 0.000 1.033 352 R CA 0.351 56.466 56.100 0.026 0.000 1.182 352 R CB -0.289 30.039 30.300 0.046 0.000 1.097 352 R HN 0.706 nan 8.270 nan 0.000 0.504 353 T N 3.130 117.691 114.554 0.012 0.000 2.767 353 T HA 0.282 4.632 4.350 -0.000 0.000 0.288 353 T C -2.099 172.603 174.700 0.003 0.000 0.963 353 T CA -1.208 60.894 62.100 0.002 0.000 1.019 353 T CB 1.101 69.964 68.868 -0.007 0.000 0.923 353 T HN 0.260 nan 8.240 nan 0.000 0.468 354 P HA 0.282 nan 4.420 nan 0.000 0.263 354 P C -0.665 176.633 177.300 -0.003 0.000 1.195 354 P CA -0.331 62.773 63.100 0.006 0.000 0.762 354 P CB 0.233 31.939 31.700 0.010 0.000 0.799 355 A N 4.146 126.963 122.820 -0.005 0.000 2.491 355 A HA 0.069 4.389 4.320 -0.000 0.000 0.261 355 A C 0.560 178.136 177.584 -0.013 0.000 1.101 355 A CA -0.413 51.608 52.037 -0.027 0.000 0.772 355 A CB -0.477 18.512 19.000 -0.017 0.000 1.043 355 A HN 0.603 nan 8.150 nan 0.000 0.501 356 N N 0.486 119.162 118.700 -0.040 0.000 1.862 356 N HA -0.077 4.663 4.740 -0.000 0.000 0.319 356 N C 0.257 175.825 175.510 0.097 0.000 1.216 356 N CA 1.412 54.488 53.050 0.043 0.000 0.806 356 N CB 0.206 38.721 38.487 0.047 0.000 1.023 356 N HN 0.855 nan 8.380 nan 0.000 0.495 357 A N 1.474 124.364 122.820 0.117 0.000 2.289 357 A HA 0.563 4.883 4.320 -0.000 0.000 0.298 357 A C 0.514 178.170 177.584 0.121 0.000 1.208 357 A CA -0.363 51.732 52.037 0.097 0.000 0.845 357 A CB 0.322 19.363 19.000 0.068 0.000 1.125 357 A HN 0.838 nan 8.150 nan 0.000 0.517 358 A N 2.180 125.064 122.820 0.108 0.000 2.494 358 A HA 0.245 4.565 4.320 -0.000 0.000 0.291 358 A C 0.547 178.175 177.584 0.074 0.000 0.951 358 A CA 1.019 53.116 52.037 0.101 0.000 1.099 358 A CB -1.447 17.595 19.000 0.070 0.000 0.783 358 A HN 2.051 nan 8.150 nan 0.000 0.433 359 V N 2.199 122.155 119.914 0.071 0.000 2.513 359 V HA 0.711 4.831 4.120 -0.000 0.000 0.299 359 V C -2.019 174.047 176.094 -0.046 0.000 1.035 359 V CA -2.531 59.762 62.300 -0.012 0.000 0.889 359 V CB 1.276 33.044 31.823 -0.092 0.000 0.988 359 V HN 0.782 nan 8.190 nan 0.000 0.440 360 P HA -0.032 nan 4.420 nan 0.000 0.257 360 P C 1.085 178.339 177.300 -0.076 0.000 1.162 360 P CA 0.874 63.944 63.100 -0.050 0.000 0.762 360 P CB 0.773 32.444 31.700 -0.048 0.000 0.753 361 A N 4.242 127.035 122.820 -0.046 0.000 2.054 361 A HA -0.245 4.075 4.320 -0.000 0.000 0.223 361 A C 1.930 179.472 177.584 -0.070 0.000 1.169 361 A CA 2.276 54.286 52.037 -0.046 0.000 0.655 361 A CB -1.170 17.821 19.000 -0.014 0.000 0.812 361 A HN 0.661 nan 8.150 nan 0.000 0.462 362 S N -0.684 114.974 115.700 -0.070 0.000 2.634 362 S HA 0.176 4.646 4.470 -0.000 0.000 0.221 362 S C 0.674 175.215 174.600 -0.100 0.000 0.952 362 S CA 0.340 58.498 58.200 -0.071 0.000 0.930 362 S CB -1.084 62.088 63.200 -0.047 0.000 0.780 362 S HN 0.731 nan 8.310 nan 0.000 0.498 363 T N 0.985 115.449 114.554 -0.150 0.000 2.884 363 T HA 0.428 4.778 4.350 -0.000 0.000 0.298 363 T C -3.082 171.487 174.700 -0.219 0.000 0.998 363 T CA -1.934 60.054 62.100 -0.186 0.000 1.124 363 T CB 0.393 69.109 68.868 -0.254 0.000 0.931 363 T HN -0.032 nan 8.240 nan 0.000 0.531 364 P HA 0.210 nan 4.420 nan 0.000 0.267 364 P C -0.116 177.071 177.300 -0.189 0.000 1.209 364 P CA -0.488 62.529 63.100 -0.139 0.000 0.763 364 P CB 0.303 31.951 31.700 -0.086 0.000 0.816 365 L N 4.512 125.634 121.223 -0.169 0.000 2.540 365 L HA 0.023 4.363 4.340 -0.000 0.000 0.276 365 L C 0.999 177.810 176.870 -0.099 0.000 1.212 365 L CA 1.090 55.825 54.840 -0.175 0.000 0.893 365 L CB 0.034 42.044 42.059 -0.080 0.000 1.138 365 L HN 0.230 nan 8.230 nan 0.000 0.491 366 K N 3.370 123.726 120.400 -0.074 0.000 2.426 366 K HA 0.262 4.582 4.320 -0.000 0.000 0.251 366 K C 0.235 176.836 176.600 0.002 0.000 0.941 366 K CA -0.769 55.511 56.287 -0.012 0.000 0.808 366 K CB 1.934 34.437 32.500 0.006 0.000 1.265 366 K HN 0.530 nan 8.250 nan 0.000 0.432 367 Q N 0.814 120.615 119.800 0.002 0.000 2.030 367 Q HA -0.250 4.090 4.340 -0.000 0.000 0.204 367 Q C 1.374 177.365 176.000 -0.015 0.000 0.986 367 Q CA 1.919 57.691 55.803 -0.052 0.000 0.843 367 Q CB 0.067 28.904 28.738 0.166 0.000 0.904 367 Q HN 0.524 nan 8.270 nan 0.000 0.420 368 E N 0.402 120.679 120.200 0.128 0.000 2.086 368 E HA -0.229 4.121 4.350 -0.000 0.000 0.200 368 E C 1.428 178.066 176.600 0.064 0.000 1.012 368 E CA 1.693 58.180 56.400 0.144 0.000 0.812 368 E CB -0.497 29.271 29.700 0.113 0.000 0.743 368 E HN 0.475 nan 8.360 nan 0.000 0.453 369 W N 0.225 121.449 121.300 -0.127 0.000 2.388 369 W HA -0.104 4.556 4.660 -0.000 0.000 0.294 369 W C 2.355 178.681 176.519 -0.322 0.000 1.212 369 W CA 2.139 59.375 57.345 -0.181 0.000 1.271 369 W CB -0.342 29.006 29.460 -0.185 0.000 1.126 369 W HN 0.158 nan 8.180 nan 0.000 0.535 370 M N -0.827 118.557 119.600 -0.359 0.000 2.099 370 M HA -0.155 4.325 4.480 -0.000 0.000 0.262 370 M C 1.866 177.654 176.300 -0.853 0.000 1.067 370 M CA 2.236 57.012 55.300 -0.874 0.000 1.124 370 M CB -0.738 31.298 32.600 -0.939 0.000 1.353 370 M HN 0.134 nan 8.290 nan 0.000 0.410 371 W N 0.612 121.702 121.300 -0.350 0.000 2.374 371 W HA -0.184 4.476 4.660 -0.000 0.000 0.288 371 W C 2.378 178.727 176.519 -0.284 0.000 1.218 371 W CA 0.971 58.135 57.345 -0.302 0.000 1.245 371 W CB -0.612 28.722 29.460 -0.211 0.000 1.126 371 W HN 0.420 nan 8.180 nan 0.000 0.545 372 N N 0.512 119.118 118.700 -0.157 0.000 2.207 372 N HA -0.184 4.556 4.740 -0.000 0.000 0.182 372 N C 1.735 177.060 175.510 -0.310 0.000 1.020 372 N CA 1.199 54.131 53.050 -0.196 0.000 0.858 372 N CB -0.124 38.231 38.487 -0.219 0.000 0.991 372 N HN 0.142 nan 8.380 nan 0.000 0.427 373 Q N 0.866 120.292 119.800 -0.623 0.000 2.230 373 Q HA -0.004 4.335 4.340 -0.000 0.000 0.202 373 Q C 1.934 177.807 176.000 -0.212 0.000 0.963 373 Q CA 0.503 55.923 55.803 -0.638 0.000 0.866 373 Q CB -0.319 27.550 28.738 -1.447 0.000 0.931 373 Q HN 0.328 nan 8.270 nan 0.000 0.452 374 L N -0.181 120.945 121.223 -0.162 0.000 2.013 374 L HA -0.071 4.269 4.340 -0.000 0.000 0.212 374 L C 2.016 178.986 176.870 0.166 0.000 1.073 374 L CA 2.503 57.416 54.840 0.121 0.000 0.753 374 L CB -1.345 40.740 42.059 0.044 0.000 0.890 374 L HN 0.325 nan 8.230 nan 0.000 0.432 375 G N -0.420 108.435 108.800 0.091 0.000 2.681 375 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.224 375 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.224 375 G C 1.518 176.484 174.900 0.110 0.000 1.100 375 G CA 1.341 46.508 45.100 0.110 0.000 0.743 375 G HN 0.527 nan 8.290 nan 0.000 0.612 376 N N -0.396 118.375 118.700 0.119 0.000 2.207 376 N HA -0.027 4.713 4.740 -0.000 0.000 0.182 376 N C 1.804 177.419 175.510 0.176 0.000 1.020 376 N CA 0.667 53.795 53.050 0.130 0.000 0.858 376 N CB -0.425 38.142 38.487 0.133 0.000 0.991 376 N HN 0.330 nan 8.380 nan 0.000 0.427 377 F N 2.242 122.253 119.950 0.101 0.000 2.216 377 F HA 0.051 4.578 4.527 -0.000 0.000 0.300 377 F C 0.702 176.527 175.800 0.041 0.000 1.085 377 F CA 0.389 58.440 58.000 0.085 0.000 1.326 377 F CB -0.280 38.787 39.000 0.111 0.000 1.027 377 F HN -0.108 nan 8.300 nan 0.000 0.497 378 L N 2.087 123.273 121.223 -0.061 0.000 2.485 378 L HA 0.078 4.418 4.340 -0.000 0.000 0.275 378 L C 0.196 176.946 176.870 -0.200 0.000 1.207 378 L CA 0.141 54.873 54.840 -0.180 0.000 0.855 378 L CB 0.439 42.474 42.059 -0.041 0.000 1.114 378 L HN 0.264 nan 8.230 nan 0.000 0.485 379 Q N 1.893 121.545 119.800 -0.247 0.000 2.433 379 Q HA 0.423 4.763 4.340 -0.000 0.000 0.279 379 Q C -1.113 174.801 176.000 -0.142 0.000 1.105 379 Q CA -1.042 54.654 55.803 -0.178 0.000 0.815 379 Q CB 1.811 30.427 28.738 -0.202 0.000 1.403 379 Q HN 0.458 nan 8.270 nan 0.000 0.435 380 E N 0.024 120.164 120.200 -0.099 0.000 2.415 380 E HA 0.254 4.604 4.350 -0.000 0.000 0.260 380 E C 0.358 176.908 176.600 -0.083 0.000 1.016 380 E CA 1.260 57.611 56.400 -0.082 0.000 0.924 380 E CB 0.334 30.001 29.700 -0.054 0.000 0.961 380 E HN 0.930 nan 8.360 nan 0.000 0.459 381 G N 3.564 112.313 108.800 -0.085 0.000 2.428 381 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.199 381 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.199 381 G C -0.061 174.793 174.900 -0.075 0.000 1.005 381 G CA -0.450 44.608 45.100 -0.069 0.000 0.671 381 G HN 0.550 nan 8.290 nan 0.000 0.485 382 D N 0.400 120.733 120.400 -0.112 0.000 2.443 382 D HA 0.373 5.013 4.640 -0.000 0.000 0.234 382 D C 0.338 176.586 176.300 -0.087 0.000 1.172 382 D CA 0.539 54.471 54.000 -0.113 0.000 0.878 382 D CB 1.566 42.264 40.800 -0.171 0.000 1.204 382 D HN 0.239 nan 8.370 nan 0.000 0.453 383 V N 2.344 122.239 119.914 -0.031 0.000 2.376 383 V HA 0.202 4.322 4.120 -0.000 0.000 0.287 383 V C -0.038 176.073 176.094 0.028 0.000 1.015 383 V CA -0.725 61.591 62.300 0.026 0.000 0.834 383 V CB 1.785 33.652 31.823 0.072 0.000 1.001 383 V HN 0.226 nan 8.190 nan 0.000 0.428 384 V N 6.848 126.757 119.914 -0.008 0.000 2.427 384 V HA 0.539 4.659 4.120 -0.000 0.000 0.286 384 V C -0.096 176.075 176.094 0.130 0.000 1.034 384 V CA -0.402 61.949 62.300 0.084 0.000 0.893 384 V CB 1.705 33.557 31.823 0.048 0.000 0.982 384 V HN 0.652 nan 8.190 nan 0.000 0.452 385 I N 3.899 124.582 120.570 0.187 0.000 2.436 385 I HA 0.773 4.943 4.170 -0.000 0.000 0.289 385 I C 0.072 176.316 176.117 0.211 0.000 1.010 385 I CA -0.591 60.798 61.300 0.150 0.000 1.098 385 I CB 1.930 39.980 38.000 0.083 0.000 1.266 385 I HN 0.672 nan 8.210 nan 0.000 0.434 386 A N 4.596 127.509 122.820 0.155 0.000 2.355 386 A HA 0.692 5.012 4.320 -0.000 0.000 0.317 386 A C -0.725 176.921 177.584 0.103 0.000 1.094 386 A CA -0.529 51.602 52.037 0.156 0.000 0.764 386 A CB 1.665 20.693 19.000 0.046 0.000 1.230 386 A HN 0.677 nan 8.150 nan 0.000 0.448 387 E N 0.977 121.248 120.200 0.118 0.000 2.266 387 E HA 0.462 4.812 4.350 -0.000 0.000 0.277 387 E C -0.048 176.558 176.600 0.010 0.000 1.018 387 E CA -0.018 56.426 56.400 0.074 0.000 0.840 387 E CB 0.793 30.543 29.700 0.083 0.000 1.082 387 E HN 0.552 nan 8.360 nan 0.000 0.395 388 T N 2.865 117.406 114.554 -0.023 0.000 2.933 388 T HA 0.462 4.812 4.350 -0.000 0.000 0.306 388 T C 0.313 174.966 174.700 -0.078 0.000 1.045 388 T CA 1.052 63.087 62.100 -0.109 0.000 1.143 388 T CB 0.014 68.819 68.868 -0.106 0.000 1.003 388 T HN 0.758 nan 8.240 nan 0.000 0.540 389 G N 2.509 111.237 108.800 -0.120 0.000 2.265 389 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.246 389 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.246 389 G C 0.978 175.939 174.900 0.102 0.000 1.299 389 G CA 0.401 45.519 45.100 0.030 0.000 1.117 389 G HN 0.829 nan 8.290 nan 0.000 0.485 390 T N -1.210 113.470 114.554 0.210 0.000 2.759 390 T HA -0.052 4.298 4.350 -0.000 0.000 0.269 390 T C 2.393 177.193 174.700 0.167 0.000 1.042 390 T CA 2.828 65.090 62.100 0.269 0.000 1.140 390 T CB -0.550 68.491 68.868 0.288 0.000 0.864 390 T HN 0.819 nan 8.240 nan 0.000 0.455 391 S N 2.293 118.089 115.700 0.161 0.000 2.351 391 S HA 0.028 4.498 4.470 -0.000 0.000 0.220 391 S C 2.720 177.143 174.600 -0.297 0.000 1.035 391 S CA 1.158 59.389 58.200 0.051 0.000 1.031 391 S CB -1.139 62.219 63.200 0.264 0.000 0.928 391 S HN 0.794 nan 8.310 nan 0.000 0.433 392 A N 1.048 123.738 122.820 -0.217 0.000 1.927 392 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 392 A C 1.884 179.235 177.584 -0.389 0.000 1.185 392 A CA 1.789 53.634 52.037 -0.319 0.000 0.639 392 A CB -0.966 17.803 19.000 -0.385 0.000 0.820 392 A HN 0.454 nan 8.150 nan 0.000 0.451 393 F N -0.198 119.610 119.950 -0.237 0.000 2.259 393 F HA 0.081 4.607 4.527 -0.000 0.000 0.298 393 F C 2.538 178.065 175.800 -0.454 0.000 1.088 393 F CA 0.756 58.588 58.000 -0.280 0.000 1.358 393 F CB -0.821 38.075 39.000 -0.173 0.000 1.040 393 F HN 0.273 nan 8.300 nan 0.000 0.505 394 G N -1.010 107.443 108.800 -0.579 0.000 2.683 394 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.213 394 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.213 394 G C 1.499 175.561 174.900 -1.397 0.000 1.142 394 G CA 0.130 44.486 45.100 -1.240 0.000 0.793 394 G HN 0.280 nan 8.290 nan 0.000 0.534 395 I N 1.090 120.993 120.570 -1.112 0.000 3.176 395 I HA 0.044 4.214 4.170 -0.000 0.000 0.275 395 I C 1.538 177.405 176.117 -0.417 0.000 1.298 395 I CA 0.333 61.233 61.300 -0.666 0.000 1.445 395 I CB -0.110 37.659 38.000 -0.386 0.000 1.075 395 I HN -0.021 nan 8.210 nan 0.000 0.482 396 N N 0.335 118.805 118.700 -0.383 0.000 2.446 396 N HA -0.044 4.696 4.740 -0.000 0.000 0.179 396 N C 1.067 176.435 175.510 -0.238 0.000 1.054 396 N CA 0.624 53.504 53.050 -0.283 0.000 0.905 396 N CB -0.007 38.355 38.487 -0.208 0.000 0.973 396 N HN 0.582 nan 8.380 nan 0.000 0.448 397 Q N -0.163 119.501 119.800 -0.226 0.000 2.280 397 Q HA 0.139 4.479 4.340 -0.000 0.000 0.202 397 Q C -0.296 175.653 176.000 -0.085 0.000 0.903 397 Q CA 0.250 55.976 55.803 -0.129 0.000 0.948 397 Q CB 0.440 29.126 28.738 -0.086 0.000 1.058 397 Q HN 0.031 nan 8.270 nan 0.000 0.493 398 T N 1.245 115.716 114.554 -0.138 0.000 2.795 398 T HA 0.221 4.571 4.350 -0.000 0.000 0.282 398 T C -0.033 174.582 174.700 -0.142 0.000 0.980 398 T CA -0.314 61.745 62.100 -0.068 0.000 1.012 398 T CB 1.544 70.432 68.868 0.032 0.000 0.936 398 T HN -0.070 nan 8.240 nan 0.000 0.457 399 T N 4.755 119.306 114.554 -0.004 0.000 2.729 399 T HA 0.334 4.684 4.350 -0.000 0.000 0.296 399 T C -0.221 174.591 174.700 0.188 0.000 0.928 399 T CA -0.353 61.771 62.100 0.041 0.000 1.045 399 T CB -0.242 68.665 68.868 0.064 0.000 0.902 399 T HN 0.248 nan 8.240 nan 0.000 0.500 400 F N 4.717 124.665 119.950 -0.003 0.000 2.427 400 F HA 0.371 4.898 4.527 -0.000 0.000 0.352 400 F C -1.701 174.076 175.800 -0.038 0.000 1.100 400 F CA -3.110 54.874 58.000 -0.027 0.000 1.191 400 F CB 0.367 39.335 39.000 -0.053 0.000 1.128 400 F HN 0.351 nan 8.300 nan 0.000 0.533 401 P HA -0.029 nan 4.420 nan 0.000 0.274 401 P C -0.086 177.226 177.300 0.021 0.000 1.264 401 P CA -0.378 62.747 63.100 0.043 0.000 0.795 401 P CB 0.471 32.163 31.700 -0.012 0.000 1.064 402 N N 2.559 121.259 118.700 -0.000 0.000 2.468 402 N HA -0.059 4.681 4.740 -0.000 0.000 0.265 402 N C 0.180 175.677 175.510 -0.021 0.000 1.199 402 N CA 0.713 53.759 53.050 -0.008 0.000 0.928 402 N CB -0.730 37.752 38.487 -0.008 0.000 1.059 402 N HN 0.476 nan 8.380 nan 0.000 0.467 403 N N 2.146 120.838 118.700 -0.013 0.000 2.806 403 N HA -0.154 4.586 4.740 -0.000 0.000 0.248 403 N C -1.368 174.119 175.510 -0.038 0.000 1.081 403 N CA 0.469 53.510 53.050 -0.014 0.000 0.680 403 N CB -0.784 37.690 38.487 -0.022 0.000 0.941 403 N HN 0.450 nan 8.380 nan 0.000 0.554 404 T N 1.807 116.322 114.554 -0.065 0.000 2.786 404 T HA 0.291 4.641 4.350 -0.000 0.000 0.283 404 T C -0.659 173.965 174.700 -0.127 0.000 0.992 404 T CA -0.278 61.695 62.100 -0.212 0.000 0.954 404 T CB 1.211 69.745 68.868 -0.557 0.000 0.934 404 T HN 0.222 nan 8.240 nan 0.000 0.440 405 Y N 1.943 122.128 120.300 -0.192 0.000 2.352 405 Y HA 0.633 5.183 4.550 -0.000 0.000 0.326 405 Y C 0.489 176.354 175.900 -0.059 0.000 1.166 405 Y CA -0.408 57.647 58.100 -0.075 0.000 1.182 405 Y CB 1.201 39.640 38.460 -0.036 0.000 1.216 405 Y HN 0.760 nan 8.280 nan 0.000 0.474 406 G N 4.667 113.188 108.800 -0.465 0.000 2.481 406 G HA2 0.632 4.592 3.960 -0.000 0.000 0.315 406 G HA3 0.632 4.592 3.960 -0.000 0.000 0.315 406 G C -1.763 172.968 174.900 -0.283 0.000 1.231 406 G CA -0.811 44.174 45.100 -0.191 0.000 0.968 406 G HN 0.605 nan 8.290 nan 0.000 0.482 407 I N 1.483 122.029 120.570 -0.040 0.000 2.448 407 I HA 0.301 4.471 4.170 -0.000 0.000 0.281 407 I C -0.510 175.662 176.117 0.092 0.000 1.027 407 I CA -0.490 60.837 61.300 0.045 0.000 1.111 407 I CB 1.964 40.040 38.000 0.127 0.000 1.236 407 I HN 0.262 nan 8.210 nan 0.000 0.452 408 S N 5.041 120.781 115.700 0.067 0.000 2.756 408 S HA 0.245 4.715 4.470 -0.000 0.000 0.303 408 S C -0.129 174.496 174.600 0.041 0.000 1.135 408 S CA -0.598 57.633 58.200 0.053 0.000 1.066 408 S CB 1.717 64.900 63.200 -0.028 0.000 1.008 408 S HN 0.584 nan 8.310 nan 0.000 0.482 409 Q N 3.154 122.994 119.800 0.066 0.000 3.151 409 Q HA 0.091 4.431 4.340 -0.000 0.000 0.277 409 Q C 0.991 176.936 176.000 -0.092 0.000 1.343 409 Q CA -0.158 55.596 55.803 -0.083 0.000 0.925 409 Q CB -0.468 28.095 28.738 -0.291 0.000 1.771 409 Q HN 0.676 nan 8.270 nan 0.000 0.514 410 V N 1.447 121.312 119.914 -0.081 0.000 2.282 410 V HA -0.307 3.813 4.120 -0.000 0.000 0.249 410 V C 1.808 177.816 176.094 -0.144 0.000 1.057 410 V CA 1.793 64.030 62.300 -0.105 0.000 1.032 410 V CB -0.490 31.287 31.823 -0.078 0.000 0.645 410 V HN 0.590 nan 8.190 nan 0.000 0.447 411 L N -0.834 120.313 121.223 -0.126 0.000 2.071 411 L HA -0.010 4.330 4.340 -0.000 0.000 0.201 411 L C 2.112 178.941 176.870 -0.069 0.000 1.076 411 L CA 1.874 56.622 54.840 -0.154 0.000 0.755 411 L CB -1.043 40.953 42.059 -0.105 0.000 0.915 411 L HN 0.509 nan 8.230 nan 0.000 0.445 412 W N 1.292 122.484 121.300 -0.180 0.000 2.381 412 W HA -0.024 4.635 4.660 -0.000 0.000 0.301 412 W C 1.088 177.514 176.519 -0.155 0.000 1.205 412 W CA 1.372 58.624 57.345 -0.154 0.000 1.285 412 W CB -0.178 29.182 29.460 -0.166 0.000 1.133 412 W HN 0.459 nan 8.180 nan 0.000 0.521 413 G N 1.931 110.629 108.800 -0.171 0.000 2.372 413 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.297 413 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.297 413 G C -0.155 174.576 174.900 -0.281 0.000 1.005 413 G CA 0.647 45.608 45.100 -0.232 0.000 1.173 413 G HN 0.361 nan 8.290 nan 0.000 0.511 414 S N 0.290 115.888 115.700 -0.171 0.000 2.423 414 S HA 0.592 5.062 4.470 -0.000 0.000 0.317 414 S C 0.976 175.578 174.600 0.003 0.000 1.065 414 S CA -0.552 57.610 58.200 -0.062 0.000 1.111 414 S CB 0.031 63.370 63.200 0.232 0.000 0.968 414 S HN 1.287 nan 8.310 nan 0.000 0.474 415 I N 2.852 123.403 120.570 -0.032 0.000 2.752 415 I HA 0.559 4.729 4.170 -0.000 0.000 0.287 415 I C 1.256 177.380 176.117 0.012 0.000 1.188 415 I CA 0.721 62.007 61.300 -0.024 0.000 1.427 415 I CB 0.039 37.994 38.000 -0.075 0.000 1.365 415 I HN 0.845 nan 8.210 nan 0.000 0.585 416 G N 4.793 113.582 108.800 -0.019 0.000 2.313 416 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.215 416 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.215 416 G C 0.505 175.235 174.900 -0.284 0.000 1.023 416 G CA 0.434 45.525 45.100 -0.015 0.000 0.626 416 G HN 0.901 nan 8.290 nan 0.000 0.503 417 F N 3.424 122.889 119.950 -0.808 0.000 2.111 417 F HA -0.173 4.354 4.527 -0.000 0.000 0.300 417 F C 2.761 178.205 175.800 -0.594 0.000 1.088 417 F CA 3.500 60.669 58.000 -1.386 0.000 1.243 417 F CB -0.694 37.853 39.000 -0.755 0.000 0.996 417 F HN 0.471 nan 8.300 nan 0.000 0.483 418 T N -3.078 111.106 114.554 -0.616 0.000 2.746 418 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 418 T C 1.926 176.416 174.700 -0.350 0.000 1.039 418 T CA 1.861 63.625 62.100 -0.560 0.000 1.142 418 T CB -1.380 67.364 68.868 -0.207 0.000 0.866 418 T HN 0.344 nan 8.240 nan 0.000 0.444 419 T N 1.365 115.803 114.554 -0.194 0.000 2.778 419 T HA 0.005 4.354 4.350 -0.000 0.000 0.269 419 T C 2.157 176.788 174.700 -0.115 0.000 1.050 419 T CA 1.459 63.503 62.100 -0.092 0.000 1.137 419 T CB -0.962 67.906 68.868 -0.001 0.000 0.860 419 T HN 0.667 nan 8.240 nan 0.000 0.468 420 G N 0.699 109.418 108.800 -0.135 0.000 2.395 420 G HA2 0.132 4.092 3.960 -0.000 0.000 0.214 420 G HA3 0.132 4.092 3.960 -0.000 0.000 0.214 420 G C 1.837 176.609 174.900 -0.213 0.000 1.177 420 G CA 0.637 45.689 45.100 -0.079 0.000 0.794 420 G HN 0.549 nan 8.290 nan 0.000 0.532 421 A N 0.553 123.130 122.820 -0.405 0.000 1.972 421 A HA -0.010 4.310 4.320 -0.000 0.000 0.219 421 A C 2.493 179.924 177.584 -0.255 0.000 1.169 421 A CA 2.417 54.205 52.037 -0.415 0.000 0.635 421 A CB -0.901 17.587 19.000 -0.853 0.000 0.810 421 A HN 0.298 nan 8.150 nan 0.000 0.446 422 T N 0.532 114.945 114.554 -0.236 0.000 2.652 422 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 422 T C 1.881 176.488 174.700 -0.154 0.000 1.039 422 T CA 1.379 63.396 62.100 -0.138 0.000 1.153 422 T CB -0.389 68.420 68.868 -0.098 0.000 0.863 422 T HN 0.344 nan 8.240 nan 0.000 0.428 423 L N 1.467 122.563 121.223 -0.213 0.000 2.017 423 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 423 L C 2.599 179.195 176.870 -0.458 0.000 1.073 423 L CA 2.425 57.044 54.840 -0.369 0.000 0.745 423 L CB -1.666 40.193 42.059 -0.332 0.000 0.894 423 L HN 0.408 nan 8.230 nan 0.000 0.432 424 G N -0.979 107.677 108.800 -0.240 0.000 2.432 424 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.219 424 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.219 424 G C 1.642 176.664 174.900 0.204 0.000 1.135 424 G CA 0.863 45.984 45.100 0.035 0.000 0.767 424 G HN 0.622 nan 8.290 nan 0.000 0.550 425 A N 1.091 123.929 122.820 0.030 0.000 1.897 425 A HA 0.433 4.753 4.320 -0.000 0.000 0.215 425 A C 2.758 180.371 177.584 0.047 0.000 1.181 425 A CA 1.833 53.892 52.037 0.036 0.000 0.620 425 A CB -0.681 18.325 19.000 0.010 0.000 0.821 425 A HN 0.698 nan 8.150 nan 0.000 0.443 426 A N -1.283 121.544 122.820 0.011 0.000 2.070 426 A HA 0.057 4.377 4.320 -0.000 0.000 0.220 426 A C 1.856 179.535 177.584 0.157 0.000 1.159 426 A CA 1.262 53.324 52.037 0.042 0.000 0.656 426 A CB -0.616 18.377 19.000 -0.011 0.000 0.800 426 A HN 0.406 nan 8.150 nan 0.000 0.453 427 F N 0.056 120.052 119.950 0.077 0.000 2.098 427 F HA -0.003 4.524 4.527 -0.000 0.000 0.294 427 F C 2.827 178.655 175.800 0.046 0.000 1.107 427 F CA 0.397 58.444 58.000 0.079 0.000 1.234 427 F CB -1.214 37.918 39.000 0.219 0.000 1.002 427 F HN 0.272 nan 8.300 nan 0.000 0.472 428 A N -0.057 122.879 122.820 0.194 0.000 1.902 428 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 428 A C 2.450 179.980 177.584 -0.089 0.000 1.181 428 A CA 1.876 53.796 52.037 -0.195 0.000 0.623 428 A CB -1.309 17.301 19.000 -0.651 0.000 0.818 428 A HN 0.306 nan 8.150 nan 0.000 0.443 429 A N -0.140 122.664 122.820 -0.026 0.000 1.849 429 A HA -0.281 4.039 4.320 -0.000 0.000 0.217 429 A C 2.007 179.595 177.584 0.006 0.000 1.202 429 A CA 2.126 54.154 52.037 -0.014 0.000 0.629 429 A CB -0.917 18.093 19.000 0.017 0.000 0.834 429 A HN 0.672 nan 8.150 nan 0.000 0.447 430 E N -0.122 120.109 120.200 0.051 0.000 2.095 430 E HA -0.315 4.035 4.350 -0.000 0.000 0.212 430 E C 1.889 178.501 176.600 0.019 0.000 1.044 430 E CA 2.032 58.465 56.400 0.054 0.000 0.857 430 E CB -0.287 29.474 29.700 0.102 0.000 0.764 430 E HN 0.773 nan 8.360 nan 0.000 0.462 431 E N -0.141 120.061 120.200 0.003 0.000 2.209 431 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 431 E C 2.224 178.809 176.600 -0.026 0.000 0.993 431 E CA 1.076 57.465 56.400 -0.019 0.000 0.819 431 E CB -0.086 29.598 29.700 -0.027 0.000 0.745 431 E HN 0.474 nan 8.360 nan 0.000 0.477 432 I N 0.248 120.797 120.570 -0.035 0.000 2.494 432 I HA -0.036 4.134 4.170 -0.000 0.000 0.250 432 I C 0.521 176.622 176.117 -0.026 0.000 1.112 432 I CA 0.518 61.793 61.300 -0.040 0.000 1.438 432 I CB 0.480 38.443 38.000 -0.061 0.000 1.111 432 I HN -0.018 nan 8.210 nan 0.000 0.431 433 D N -0.147 120.243 120.400 -0.016 0.000 2.688 433 D HA 0.103 4.743 4.640 -0.000 0.000 0.210 433 D C -2.194 174.109 176.300 0.005 0.000 1.333 433 D CA -1.409 52.586 54.000 -0.009 0.000 0.920 433 D CB 1.701 42.491 40.800 -0.016 0.000 1.554 433 D HN -0.178 nan 8.370 nan 0.000 0.579 434 P HA -0.098 nan 4.420 nan 0.000 0.222 434 P C 0.764 178.080 177.300 0.026 0.000 1.147 434 P CA 0.562 63.677 63.100 0.025 0.000 0.790 434 P CB 0.508 32.223 31.700 0.025 0.000 0.780 435 K N -0.092 120.317 120.400 0.015 0.000 2.404 435 K HA 0.105 4.425 4.320 -0.000 0.000 0.194 435 K C 0.884 177.488 176.600 0.008 0.000 1.023 435 K CA -0.151 56.144 56.287 0.013 0.000 1.094 435 K CB -0.002 32.501 32.500 0.005 0.000 0.841 435 K HN 0.202 nan 8.250 nan 0.000 0.523 436 K N 1.873 122.277 120.400 0.007 0.000 2.349 436 K HA 0.089 4.409 4.320 -0.000 0.000 0.288 436 K C -0.191 176.422 176.600 0.020 0.000 1.058 436 K CA -0.038 56.248 56.287 -0.002 0.000 0.953 436 K CB 0.547 33.042 32.500 -0.008 0.000 0.997 436 K HN -0.040 nan 8.250 nan 0.000 0.477 437 R N 1.934 122.440 120.500 0.010 0.000 2.500 437 R HA 0.353 4.692 4.340 -0.000 0.000 0.275 437 R C -0.712 175.620 176.300 0.054 0.000 1.051 437 R CA -0.764 55.367 56.100 0.052 0.000 1.088 437 R CB 1.341 31.639 30.300 -0.004 0.000 1.063 437 R HN 0.248 nan 8.270 nan 0.000 0.511 438 V N 4.205 124.194 119.914 0.125 0.000 2.482 438 V HA 0.337 4.457 4.120 -0.000 0.000 0.295 438 V C -0.664 175.551 176.094 0.201 0.000 1.026 438 V CA -0.715 61.657 62.300 0.121 0.000 0.856 438 V CB 1.505 33.385 31.823 0.096 0.000 1.001 438 V HN 0.517 nan 8.190 nan 0.000 0.424 439 I N 5.551 126.233 120.570 0.186 0.000 2.493 439 I HA 0.539 4.709 4.170 -0.000 0.000 0.298 439 I C -0.456 175.835 176.117 0.289 0.000 0.998 439 I CA -0.428 61.041 61.300 0.282 0.000 1.137 439 I CB 1.806 40.003 38.000 0.329 0.000 1.310 439 I HN 0.393 nan 8.210 nan 0.000 0.445 440 L N 5.971 127.356 121.223 0.269 0.000 2.410 440 L HA 0.577 4.917 4.340 -0.000 0.000 0.270 440 L C -1.868 175.106 176.870 0.173 0.000 0.983 440 L CA -0.394 54.588 54.840 0.237 0.000 0.822 440 L CB 1.640 43.777 42.059 0.129 0.000 1.285 440 L HN 0.394 nan 8.230 nan 0.000 0.409 441 F N 5.880 126.008 119.950 0.296 0.000 2.444 441 F HA 0.621 5.148 4.527 -0.000 0.000 0.342 441 F C 0.184 176.132 175.800 0.245 0.000 1.121 441 F CA -0.494 57.707 58.000 0.336 0.000 0.997 441 F CB 1.851 41.109 39.000 0.431 0.000 1.130 441 F HN 0.327 nan 8.300 nan 0.000 0.454 442 I N 1.961 122.720 120.570 0.314 0.000 2.722 442 I HA 0.631 4.801 4.170 -0.000 0.000 0.292 442 I C -0.170 176.050 176.117 0.172 0.000 1.267 442 I CA -0.524 60.901 61.300 0.208 0.000 1.036 442 I CB 1.679 39.751 38.000 0.120 0.000 1.281 442 I HN 0.622 nan 8.210 nan 0.000 0.423 443 G N 4.080 112.974 108.800 0.157 0.000 2.664 443 G HA2 0.053 4.013 3.960 -0.000 0.000 0.242 443 G HA3 0.053 4.013 3.960 -0.000 0.000 0.242 443 G C 0.696 175.643 174.900 0.078 0.000 1.225 443 G CA 0.354 45.536 45.100 0.137 0.000 0.849 443 G HN 0.845 nan 8.290 nan 0.000 0.581 444 D N 0.041 120.484 120.400 0.072 0.000 2.178 444 D HA -0.086 4.554 4.640 -0.000 0.000 0.202 444 D C 2.120 178.449 176.300 0.048 0.000 0.974 444 D CA 1.291 55.311 54.000 0.033 0.000 0.841 444 D CB -0.787 40.097 40.800 0.139 0.000 0.953 444 D HN 0.457 nan 8.370 nan 0.000 0.478 445 G N 0.601 109.481 108.800 0.133 0.000 2.414 445 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.215 445 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.215 445 G C 1.816 176.781 174.900 0.108 0.000 1.188 445 G CA 1.072 46.323 45.100 0.251 0.000 0.783 445 G HN 0.359 nan 8.290 nan 0.000 0.537 446 S N 0.476 116.202 115.700 0.043 0.000 2.419 446 S HA 0.006 4.476 4.470 -0.000 0.000 0.233 446 S C 2.154 176.782 174.600 0.048 0.000 1.016 446 S CA 0.446 58.654 58.200 0.013 0.000 0.974 446 S CB -0.209 62.994 63.200 0.005 0.000 0.786 446 S HN 0.285 nan 8.310 nan 0.000 0.492 447 L N 1.608 122.863 121.223 0.054 0.000 2.042 447 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 447 L C 2.592 179.561 176.870 0.164 0.000 1.076 447 L CA 1.488 56.391 54.840 0.106 0.000 0.749 447 L CB -0.512 41.616 42.059 0.116 0.000 0.893 447 L HN 0.426 nan 8.230 nan 0.000 0.432 448 Q N -0.649 119.172 119.800 0.034 0.000 2.197 448 Q HA -0.270 4.070 4.340 -0.000 0.000 0.207 448 Q C 2.103 178.235 176.000 0.220 0.000 0.984 448 Q CA 1.298 57.128 55.803 0.045 0.000 0.869 448 Q CB -0.198 28.352 28.738 -0.313 0.000 0.906 448 Q HN 0.416 nan 8.270 nan 0.000 0.426 449 L N -0.162 121.154 121.223 0.155 0.000 2.141 449 L HA -0.103 4.237 4.340 -0.000 0.000 0.209 449 L C 2.008 178.995 176.870 0.196 0.000 1.094 449 L CA 1.899 56.840 54.840 0.168 0.000 0.763 449 L CB -0.121 42.022 42.059 0.139 0.000 0.908 449 L HN 0.342 nan 8.230 nan 0.000 0.437 450 T N -6.684 107.989 114.554 0.198 0.000 3.403 450 T HA 0.086 4.436 4.350 -0.000 0.000 0.308 450 T C 1.344 176.144 174.700 0.166 0.000 0.952 450 T CA 0.372 62.583 62.100 0.185 0.000 0.970 450 T CB -0.427 68.569 68.868 0.212 0.000 1.189 450 T HN -0.133 nan 8.240 nan 0.000 0.528 451 V N 2.784 122.842 119.914 0.239 0.000 2.311 451 V HA -0.318 3.802 4.120 -0.000 0.000 0.256 451 V C 2.727 178.929 176.094 0.180 0.000 1.077 451 V CA 2.914 65.385 62.300 0.285 0.000 1.067 451 V CB -0.502 31.612 31.823 0.485 0.000 0.659 451 V HN 0.828 nan 8.190 nan 0.000 0.451 452 Q N -0.616 119.220 119.800 0.060 0.000 2.561 452 Q HA -0.236 4.104 4.340 -0.000 0.000 0.217 452 Q C 1.615 177.449 176.000 -0.276 0.000 0.980 452 Q CA 1.861 57.499 55.803 -0.276 0.000 0.927 452 Q CB -0.467 28.141 28.738 -0.217 0.000 0.980 452 Q HN 0.689 nan 8.270 nan 0.000 0.525 453 E N 0.945 121.088 120.200 -0.094 0.000 2.482 453 E HA 0.119 4.469 4.350 -0.000 0.000 0.196 453 E C 1.568 178.121 176.600 -0.077 0.000 1.047 453 E CA 0.127 56.481 56.400 -0.075 0.000 0.869 453 E CB -0.238 29.449 29.700 -0.021 0.000 0.836 453 E HN 0.497 nan 8.360 nan 0.000 0.520 454 I N -0.378 120.154 120.570 -0.063 0.000 2.493 454 I HA -0.241 3.929 4.170 -0.000 0.000 0.254 454 I C 2.279 178.376 176.117 -0.033 0.000 1.160 454 I CA 0.775 62.079 61.300 0.006 0.000 1.445 454 I CB -0.236 37.852 38.000 0.146 0.000 1.086 454 I HN 0.112 nan 8.210 nan 0.000 0.433 455 S N 0.705 116.276 115.700 -0.215 0.000 2.359 455 S HA -0.236 4.234 4.470 -0.000 0.000 0.222 455 S C 2.084 176.652 174.600 -0.054 0.000 1.038 455 S CA 2.530 60.594 58.200 -0.226 0.000 1.051 455 S CB -0.388 62.546 63.200 -0.442 0.000 0.944 455 S HN 0.450 nan 8.310 nan 0.000 0.433 456 T N 2.156 116.699 114.554 -0.018 0.000 2.881 456 T HA -0.021 4.329 4.350 -0.000 0.000 0.270 456 T C 1.794 176.623 174.700 0.216 0.000 1.068 456 T CA 1.444 63.622 62.100 0.130 0.000 1.131 456 T CB -0.278 68.676 68.868 0.143 0.000 0.871 456 T HN 0.402 nan 8.240 nan 0.000 0.479 457 M N 0.208 119.858 119.600 0.083 0.000 2.077 457 M HA 0.040 4.520 4.480 -0.000 0.000 0.261 457 M C 2.210 178.594 176.300 0.139 0.000 1.070 457 M CA 1.619 56.967 55.300 0.080 0.000 1.125 457 M CB -0.468 32.137 32.600 0.008 0.000 1.339 457 M HN 0.199 nan 8.290 nan 0.000 0.409 458 I N 0.289 120.911 120.570 0.086 0.000 2.163 458 I HA -0.342 3.828 4.170 -0.000 0.000 0.243 458 I C 2.638 178.793 176.117 0.063 0.000 1.085 458 I CA 1.540 62.883 61.300 0.071 0.000 1.347 458 I CB -0.592 37.437 38.000 0.048 0.000 1.044 458 I HN 0.353 nan 8.210 nan 0.000 0.408 459 R N 0.558 121.076 120.500 0.029 0.000 2.159 459 R HA -0.205 4.135 4.340 -0.000 0.000 0.237 459 R C 1.442 177.633 176.300 -0.182 0.000 1.131 459 R CA 1.758 57.793 56.100 -0.108 0.000 0.982 459 R CB -0.662 29.525 30.300 -0.189 0.000 0.868 459 R HN 0.405 nan 8.270 nan 0.000 0.453 460 W N 0.435 121.804 121.300 0.116 0.000 3.278 460 W HA 0.370 5.030 4.660 -0.000 0.000 0.308 460 W C 0.945 177.537 176.519 0.121 0.000 1.253 460 W CA 0.321 57.758 57.345 0.153 0.000 1.759 460 W CB 0.596 30.255 29.460 0.331 0.000 1.093 460 W HN 0.408 nan 8.180 nan 0.000 0.648 461 G N 1.303 110.241 108.800 0.231 0.000 2.203 461 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.263 461 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.263 461 G C 0.283 175.281 174.900 0.164 0.000 1.012 461 G CA -0.064 45.130 45.100 0.158 0.000 0.749 461 G HN 0.195 nan 8.290 nan 0.000 0.512 462 L N -1.014 120.331 121.223 0.203 0.000 2.482 462 L HA 0.307 4.647 4.340 -0.000 0.000 0.273 462 L C 1.033 177.945 176.870 0.070 0.000 1.228 462 L CA 0.449 55.380 54.840 0.153 0.000 0.827 462 L CB 0.411 42.555 42.059 0.141 0.000 1.099 462 L HN 0.182 nan 8.230 nan 0.000 0.494 463 K N 2.014 122.437 120.400 0.038 0.000 3.022 463 K HA 0.319 4.639 4.320 -0.000 0.000 0.178 463 K C -2.519 174.034 176.600 -0.077 0.000 1.089 463 K CA -1.290 54.975 56.287 -0.036 0.000 0.916 463 K CB 0.528 33.005 32.500 -0.039 0.000 1.159 463 K HN 0.337 nan 8.250 nan 0.000 0.592 464 P HA 0.140 nan 4.420 nan 0.000 0.281 464 P C -0.998 176.243 177.300 -0.099 0.000 1.281 464 P CA -0.520 62.589 63.100 0.016 0.000 0.811 464 P CB 0.736 32.457 31.700 0.035 0.000 1.154 465 Y N -0.035 120.247 120.300 -0.030 0.000 2.402 465 Y HA 0.356 4.906 4.550 -0.000 0.000 0.332 465 Y C 0.297 176.128 175.900 -0.114 0.000 0.960 465 Y CA -0.451 57.588 58.100 -0.102 0.000 1.228 465 Y CB 0.798 39.249 38.460 -0.015 0.000 1.120 465 Y HN 0.004 nan 8.280 nan 0.000 0.491 466 L N 5.179 126.353 121.223 -0.081 0.000 2.288 466 L HA 0.371 4.711 4.340 -0.000 0.000 0.283 466 L C -0.926 175.836 176.870 -0.181 0.000 1.072 466 L CA -0.310 54.488 54.840 -0.070 0.000 0.862 466 L CB -0.041 41.994 42.059 -0.039 0.000 1.245 466 L HN 0.479 nan 8.230 nan 0.000 0.432 467 F N 2.577 122.405 119.950 -0.203 0.000 2.413 467 F HA 0.289 4.816 4.527 -0.000 0.000 0.359 467 F C 0.353 176.079 175.800 -0.124 0.000 1.122 467 F CA -0.364 57.473 58.000 -0.271 0.000 1.160 467 F CB 1.260 39.743 39.000 -0.861 0.000 1.146 467 F HN 0.075 nan 8.300 nan 0.000 0.514 468 V N 5.810 125.779 119.914 0.091 0.000 2.370 468 V HA 0.262 4.382 4.120 -0.000 0.000 0.283 468 V C 0.082 176.241 176.094 0.108 0.000 1.023 468 V CA -0.841 61.486 62.300 0.045 0.000 0.857 468 V CB 1.494 33.242 31.823 -0.125 0.000 0.985 468 V HN 0.473 nan 8.190 nan 0.000 0.443 469 L N 4.917 126.230 121.223 0.150 0.000 2.302 469 L HA 0.378 4.718 4.340 -0.000 0.000 0.285 469 L C 0.553 177.499 176.870 0.127 0.000 1.090 469 L CA -0.140 54.806 54.840 0.176 0.000 0.866 469 L CB 0.118 42.320 42.059 0.239 0.000 1.244 469 L HN 0.575 nan 8.230 nan 0.000 0.435 470 N N 4.102 122.879 118.700 0.128 0.000 2.439 470 N HA 0.032 4.772 4.740 -0.000 0.000 0.243 470 N C -0.068 175.503 175.510 0.102 0.000 1.088 470 N CA -0.147 52.991 53.050 0.147 0.000 0.940 470 N CB 0.563 39.177 38.487 0.212 0.000 1.180 470 N HN 0.562 nan 8.380 nan 0.000 0.505 471 N N 1.954 120.700 118.700 0.077 0.000 2.351 471 N HA 0.054 4.794 4.740 -0.000 0.000 0.254 471 N C -0.608 174.885 175.510 -0.027 0.000 1.241 471 N CA -0.433 52.631 53.050 0.024 0.000 0.883 471 N CB -0.043 38.465 38.487 0.037 0.000 1.202 471 N HN 0.286 nan 8.380 nan 0.000 0.512 472 D N 0.438 120.835 120.400 -0.006 0.000 2.904 472 D HA -0.064 4.576 4.640 -0.000 0.000 0.231 472 D C 0.402 176.645 176.300 -0.095 0.000 1.185 472 D CA 2.062 56.032 54.000 -0.050 0.000 0.783 472 D CB -1.261 39.494 40.800 -0.075 0.000 0.961 472 D HN 0.876 nan 8.370 nan 0.000 0.409 473 G N 0.427 109.181 108.800 -0.077 0.000 2.408 473 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.682 473 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.682 473 G C -0.892 174.033 174.900 0.040 0.000 1.303 473 G CA -0.521 44.489 45.100 -0.150 0.000 0.966 473 G HN 0.167 nan 8.290 nan 0.000 0.560 474 Y N 2.002 122.310 120.300 0.014 0.000 2.570 474 Y HA 0.324 4.874 4.550 -0.000 0.000 0.336 474 Y C 2.350 178.293 175.900 0.073 0.000 1.284 474 Y CA -0.115 58.017 58.100 0.052 0.000 1.761 474 Y CB -0.585 37.922 38.460 0.077 0.000 1.724 474 Y HN 0.828 nan 8.280 nan 0.000 0.455 475 T N -1.649 113.026 114.554 0.202 0.000 2.746 475 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 475 T C 2.017 176.846 174.700 0.214 0.000 1.039 475 T CA 1.004 63.203 62.100 0.165 0.000 1.142 475 T CB -0.096 68.832 68.868 0.100 0.000 0.866 475 T HN 0.448 nan 8.240 nan 0.000 0.444 476 I N 1.858 122.557 120.570 0.215 0.000 2.194 476 I HA -0.154 4.016 4.170 -0.000 0.000 0.246 476 I C 2.390 178.636 176.117 0.215 0.000 1.093 476 I CA 1.752 63.186 61.300 0.224 0.000 1.355 476 I CB -0.776 37.370 38.000 0.244 0.000 1.046 476 I HN 0.369 nan 8.210 nan 0.000 0.413 477 E N 0.734 121.069 120.200 0.225 0.000 2.028 477 E HA -0.223 4.127 4.350 -0.000 0.000 0.191 477 E C 2.064 178.811 176.600 0.245 0.000 0.988 477 E CA 1.037 57.580 56.400 0.237 0.000 0.799 477 E CB -0.302 29.573 29.700 0.290 0.000 0.755 477 E HN 0.541 nan 8.360 nan 0.000 0.447 478 K N 0.469 121.017 120.400 0.247 0.000 2.286 478 K HA -0.148 4.172 4.320 -0.000 0.000 0.203 478 K C 1.918 178.641 176.600 0.204 0.000 1.045 478 K CA 0.606 57.035 56.287 0.236 0.000 0.935 478 K CB -0.040 32.649 32.500 0.315 0.000 0.737 478 K HN -0.016 nan 8.250 nan 0.000 0.460 479 L N 0.669 122.012 121.223 0.200 0.000 2.341 479 L HA 0.008 4.348 4.340 -0.000 0.000 0.214 479 L C 1.842 178.774 176.870 0.103 0.000 1.115 479 L CA 1.203 56.127 54.840 0.139 0.000 0.820 479 L CB -0.092 42.051 42.059 0.140 0.000 0.944 479 L HN 0.226 nan 8.230 nan 0.000 0.452 480 I N -4.886 115.768 120.570 0.141 0.000 4.035 480 I HA 0.186 4.356 4.170 -0.000 0.000 0.321 480 I C 0.189 176.438 176.117 0.220 0.000 1.289 480 I CA 0.150 61.535 61.300 0.140 0.000 1.236 480 I CB 0.428 38.508 38.000 0.133 0.000 1.076 480 I HN 0.072 nan 8.210 nan 0.000 0.418 481 H N 0.886 120.018 119.070 0.102 0.000 3.016 481 H HA 0.243 4.799 4.556 -0.000 0.000 0.289 481 H C -0.073 175.344 175.328 0.148 0.000 1.224 481 H CA 0.202 56.317 56.048 0.112 0.000 1.485 481 H CB 1.633 31.466 29.762 0.118 0.000 1.999 481 H HN 0.290 nan 8.280 nan 0.000 0.511 482 G N 4.992 113.625 108.800 -0.279 0.000 2.385 482 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.294 482 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.294 482 G C -2.107 172.763 174.900 -0.050 0.000 1.070 482 G CA 0.009 45.050 45.100 -0.098 0.000 1.172 482 G HN 0.463 nan 8.290 nan 0.000 0.516 483 P HA -0.051 nan 4.420 nan 0.000 0.216 483 P C 1.489 178.864 177.300 0.125 0.000 1.150 483 P CA 1.412 64.550 63.100 0.063 0.000 0.843 483 P CB 0.103 31.739 31.700 -0.107 0.000 0.787 484 K N -1.795 118.607 120.400 0.002 0.000 2.478 484 K HA 0.349 4.669 4.320 -0.000 0.000 0.205 484 K C 0.110 176.637 176.600 -0.122 0.000 1.033 484 K CA -0.281 55.999 56.287 -0.013 0.000 1.091 484 K CB -0.005 32.494 32.500 -0.002 0.000 0.844 484 K HN -0.036 nan 8.250 nan 0.000 0.507 485 A N 1.038 123.717 122.820 -0.236 0.000 2.520 485 A HA -0.023 4.297 4.320 -0.000 0.000 0.245 485 A C 1.224 178.508 177.584 -0.500 0.000 1.072 485 A CA -0.040 51.696 52.037 -0.501 0.000 0.761 485 A CB 0.334 18.709 19.000 -1.042 0.000 1.004 485 A HN 0.441 nan 8.150 nan 0.000 0.499 486 Q N 1.545 121.135 119.800 -0.350 0.000 2.181 486 Q HA -0.225 4.115 4.340 -0.000 0.000 0.205 486 Q C 1.155 177.062 176.000 -0.155 0.000 0.980 486 Q CA 2.405 58.097 55.803 -0.185 0.000 0.862 486 Q CB -0.306 28.395 28.738 -0.062 0.000 0.905 486 Q HN 1.050 nan 8.270 nan 0.000 0.429 487 Y N -1.664 118.647 120.300 0.018 0.000 2.616 487 Y HA 0.128 4.678 4.550 -0.000 0.000 0.296 487 Y C 0.966 176.874 175.900 0.013 0.000 1.154 487 Y CA 0.339 58.459 58.100 0.033 0.000 1.325 487 Y CB -0.241 38.268 38.460 0.082 0.000 1.007 487 Y HN 0.071 nan 8.280 nan 0.000 0.542 488 N N 0.280 118.891 118.700 -0.149 0.000 2.230 488 N HA 0.025 4.765 4.740 -0.000 0.000 0.202 488 N C -0.295 174.992 175.510 -0.373 0.000 1.119 488 N CA 0.245 53.227 53.050 -0.114 0.000 0.851 488 N CB 0.325 38.808 38.487 -0.006 0.000 0.990 488 N HN 0.424 nan 8.380 nan 0.000 0.497 489 E N 0.806 120.803 120.200 -0.339 0.000 2.222 489 E HA 0.471 4.821 4.350 -0.000 0.000 0.267 489 E C 0.438 176.823 176.600 -0.359 0.000 0.963 489 E CA -0.591 55.625 56.400 -0.307 0.000 0.837 489 E CB 2.305 31.896 29.700 -0.181 0.000 1.183 489 E HN 0.137 nan 8.360 nan 0.000 0.403 490 I N -2.118 118.275 120.570 -0.293 0.000 3.264 490 I HA 0.432 4.602 4.170 -0.000 0.000 0.315 490 I C -0.457 175.564 176.117 -0.159 0.000 1.154 490 I CA -1.434 59.713 61.300 -0.256 0.000 0.962 490 I CB 1.800 39.607 38.000 -0.321 0.000 1.265 490 I HN 0.117 nan 8.210 nan 0.000 0.463 491 Q N 1.939 121.658 119.800 -0.135 0.000 2.304 491 Q HA 0.451 4.791 4.340 -0.000 0.000 0.260 491 Q C -0.067 175.912 176.000 -0.035 0.000 0.965 491 Q CA 0.131 55.921 55.803 -0.021 0.000 0.898 491 Q CB 1.262 30.076 28.738 0.127 0.000 1.196 491 Q HN 0.879 nan 8.270 nan 0.000 0.402 492 G N 3.744 112.569 108.800 0.042 0.000 2.313 492 G HA2 0.213 4.173 3.960 -0.000 0.000 0.250 492 G HA3 0.213 4.173 3.960 -0.000 0.000 0.250 492 G C -1.210 173.839 174.900 0.248 0.000 1.281 492 G CA -0.380 44.750 45.100 0.050 0.000 0.917 492 G HN 0.511 nan 8.290 nan 0.000 0.501 493 W N 0.590 121.752 121.300 -0.231 0.000 2.689 493 W HA 0.357 5.017 4.660 -0.000 0.000 0.340 493 W C -0.277 176.012 176.519 -0.383 0.000 1.060 493 W CA -1.561 55.621 57.345 -0.271 0.000 1.218 493 W CB 1.749 31.073 29.460 -0.227 0.000 1.410 493 W HN 0.393 nan 8.180 nan 0.000 0.528 494 D N 1.511 121.878 120.400 -0.055 0.000 2.517 494 D HA 0.054 4.694 4.640 -0.000 0.000 0.220 494 D C 1.234 177.525 176.300 -0.015 0.000 1.158 494 D CA 0.215 54.173 54.000 -0.070 0.000 0.992 494 D CB -0.156 40.600 40.800 -0.074 0.000 1.058 494 D HN 0.492 nan 8.370 nan 0.000 0.516 495 H N 1.566 120.706 119.070 0.115 0.000 2.321 495 H HA -0.173 4.383 4.556 -0.000 0.000 0.295 495 H C 2.001 177.348 175.328 0.032 0.000 1.102 495 H CA 1.316 57.431 56.048 0.111 0.000 1.266 495 H CB 0.464 30.304 29.762 0.131 0.000 1.363 495 H HN 0.345 nan 8.280 nan 0.000 0.492 496 L N 0.232 121.542 121.223 0.145 0.000 2.017 496 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 496 L C 2.456 179.323 176.870 -0.006 0.000 1.073 496 L CA 1.435 56.315 54.840 0.066 0.000 0.745 496 L CB -0.601 41.493 42.059 0.058 0.000 0.894 496 L HN 0.359 nan 8.230 nan 0.000 0.432 497 S N -0.282 115.394 115.700 -0.039 0.000 2.723 497 S HA -0.090 4.380 4.470 -0.000 0.000 0.231 497 S C 1.684 176.149 174.600 -0.224 0.000 0.967 497 S CA 0.214 58.347 58.200 -0.111 0.000 0.958 497 S CB -0.348 62.789 63.200 -0.105 0.000 0.778 497 S HN 0.218 nan 8.310 nan 0.000 0.537 498 L N 1.039 122.139 121.223 -0.205 0.000 2.072 498 L HA 0.241 4.581 4.340 -0.000 0.000 0.205 498 L C 2.188 178.814 176.870 -0.407 0.000 1.079 498 L CA 1.324 55.965 54.840 -0.332 0.000 0.752 498 L CB -0.975 41.015 42.059 -0.114 0.000 0.906 498 L HN 0.396 nan 8.230 nan 0.000 0.436 499 L N 0.360 121.399 121.223 -0.307 0.000 1.994 499 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 499 L C -0.192 176.377 176.870 -0.500 0.000 1.071 499 L CA 1.654 56.267 54.840 -0.377 0.000 0.745 499 L CB -1.883 39.860 42.059 -0.526 0.000 0.892 499 L HN 0.240 nan 8.230 nan 0.000 0.431 500 P HA -0.155 nan 4.420 nan 0.000 0.215 500 P C 1.470 178.610 177.300 -0.268 0.000 1.153 500 P CA 1.655 64.495 63.100 -0.434 0.000 0.853 500 P CB -0.198 31.337 31.700 -0.275 0.000 0.788 501 T N -0.200 114.148 114.554 -0.344 0.000 2.759 501 T HA -0.119 4.231 4.350 -0.000 0.000 0.269 501 T C 0.991 175.554 174.700 -0.229 0.000 1.042 501 T CA 1.206 63.095 62.100 -0.351 0.000 1.140 501 T CB -0.727 67.803 68.868 -0.563 0.000 0.864 501 T HN 0.016 nan 8.240 nan 0.000 0.455 502 F N 0.969 120.847 119.950 -0.119 0.000 2.676 502 F HA 0.441 4.968 4.527 -0.000 0.000 0.300 502 F C 1.794 177.543 175.800 -0.085 0.000 1.160 502 F CA -1.003 56.944 58.000 -0.088 0.000 1.401 502 F CB -0.927 38.027 39.000 -0.075 0.000 1.037 502 F HN 0.271 nan 8.300 nan 0.000 0.522 503 G N 0.098 108.921 108.800 0.039 0.000 2.136 503 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.242 503 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.242 503 G C 0.483 175.374 174.900 -0.015 0.000 0.989 503 G CA -0.093 45.012 45.100 0.008 0.000 0.682 503 G HN 0.695 nan 8.290 nan 0.000 0.522 504 A N -0.364 122.404 122.820 -0.088 0.000 2.524 504 A HA 0.615 4.935 4.320 -0.000 0.000 0.250 504 A C 1.229 178.839 177.584 0.042 0.000 1.078 504 A CA 1.291 53.272 52.037 -0.092 0.000 0.761 504 A CB 0.337 19.131 19.000 -0.342 0.000 1.012 504 A HN 0.435 nan 8.150 nan 0.000 0.500 505 K N 0.588 121.076 120.400 0.148 0.000 2.306 505 K HA 0.029 4.349 4.320 -0.000 0.000 0.200 505 K C -0.338 176.401 176.600 0.232 0.000 1.083 505 K CA 0.554 56.954 56.287 0.188 0.000 0.959 505 K CB 0.382 32.934 32.500 0.087 0.000 0.994 505 K HN 0.774 nan 8.250 nan 0.000 0.492 506 D N 0.938 121.452 120.400 0.189 0.000 2.479 506 D HA 0.113 4.753 4.640 -0.000 0.000 0.247 506 D C -0.755 175.640 176.300 0.158 0.000 1.119 506 D CA -0.564 53.496 54.000 0.101 0.000 0.922 506 D CB 0.069 40.895 40.800 0.045 0.000 1.014 506 D HN 0.044 nan 8.370 nan 0.000 0.510 507 Y N 0.448 120.723 120.300 -0.042 0.000 3.224 507 Y HA 0.805 5.355 4.550 -0.000 0.000 0.301 507 Y C -0.771 175.082 175.900 -0.078 0.000 1.663 507 Y CA -1.412 56.652 58.100 -0.061 0.000 0.995 507 Y CB 0.699 39.124 38.460 -0.058 0.000 1.381 507 Y HN 0.112 nan 8.280 nan 0.000 0.643 508 E N 0.229 120.441 120.200 0.019 0.000 2.830 508 E HA 0.358 4.708 4.350 -0.000 0.000 0.333 508 E C -1.998 174.518 176.600 -0.140 0.000 0.974 508 E CA -0.501 55.796 56.400 -0.172 0.000 0.819 508 E CB 1.203 30.848 29.700 -0.091 0.000 1.293 508 E HN 0.903 nan 8.360 nan 0.000 0.419 509 T N 1.149 115.536 114.554 -0.280 0.000 2.856 509 T HA 0.651 5.001 4.350 -0.000 0.000 0.283 509 T C -0.526 173.862 174.700 -0.521 0.000 1.008 509 T CA -0.767 61.190 62.100 -0.239 0.000 0.997 509 T CB 1.474 70.333 68.868 -0.014 0.000 0.992 509 T HN 0.407 nan 8.240 nan 0.000 0.454 510 H N 0.988 120.058 119.070 -0.000 0.000 2.980 510 H HA 0.597 5.153 4.556 -0.000 0.000 0.367 510 H C -0.798 174.528 175.328 -0.004 0.000 1.206 510 H CA -0.845 55.189 56.048 -0.024 0.000 1.126 510 H CB 2.523 32.236 29.762 -0.081 0.000 1.838 510 H HN 0.688 nan 8.280 nan 0.000 0.552 511 R N 1.669 122.251 120.500 0.137 0.000 2.451 511 R HA 0.466 4.806 4.340 -0.000 0.000 0.307 511 R C -1.749 174.613 176.300 0.103 0.000 0.965 511 R CA -0.592 55.574 56.100 0.110 0.000 0.865 511 R CB 1.117 31.469 30.300 0.087 0.000 1.174 511 R HN 0.297 nan 8.270 nan 0.000 0.455 512 V N 4.595 124.590 119.914 0.135 0.000 2.370 512 V HA 0.499 4.619 4.120 -0.000 0.000 0.283 512 V C 0.394 176.572 176.094 0.140 0.000 1.023 512 V CA 0.044 62.435 62.300 0.152 0.000 0.857 512 V CB 1.147 33.131 31.823 0.267 0.000 0.985 512 V HN 1.035 nan 8.190 nan 0.000 0.443 513 A N 3.789 126.662 122.820 0.088 0.000 1.988 513 A HA 0.337 4.657 4.320 -0.000 0.000 0.198 513 A C 1.124 178.712 177.584 0.006 0.000 1.507 513 A CA 0.789 52.855 52.037 0.049 0.000 0.901 513 A CB 0.255 19.274 19.000 0.032 0.000 1.007 513 A HN 0.747 nan 8.150 nan 0.000 0.502 514 T N -3.436 111.115 114.554 -0.004 0.000 2.867 514 T HA 0.392 4.742 4.350 -0.000 0.000 0.282 514 T C 0.897 175.547 174.700 -0.083 0.000 1.000 514 T CA 0.530 62.591 62.100 -0.065 0.000 1.042 514 T CB 1.282 70.117 68.868 -0.056 0.000 0.973 514 T HN 0.098 nan 8.240 nan 0.000 0.465 515 T N 2.520 116.923 114.554 -0.252 0.000 2.714 515 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 515 T C 2.078 176.733 174.700 -0.075 0.000 1.036 515 T CA 2.595 64.440 62.100 -0.424 0.000 1.148 515 T CB -1.161 67.222 68.868 -0.810 0.000 0.856 515 T HN 0.884 nan 8.240 nan 0.000 0.462 516 G N 0.460 109.232 108.800 -0.047 0.000 2.404 516 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.215 516 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.215 516 G C 1.442 176.384 174.900 0.071 0.000 1.174 516 G CA 0.864 45.982 45.100 0.030 0.000 0.780 516 G HN 0.621 nan 8.290 nan 0.000 0.537 517 E N -0.638 119.594 120.200 0.054 0.000 2.130 517 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 517 E C 2.030 178.672 176.600 0.070 0.000 0.998 517 E CA 0.959 57.385 56.400 0.043 0.000 0.806 517 E CB -0.230 29.494 29.700 0.041 0.000 0.738 517 E HN 0.667 nan 8.360 nan 0.000 0.459 518 W N 2.385 123.676 121.300 -0.015 0.000 2.409 518 W HA -0.143 4.517 4.660 -0.000 0.000 0.299 518 W C 1.225 177.748 176.519 0.006 0.000 1.203 518 W CA 1.282 58.636 57.345 0.013 0.000 1.298 518 W CB -0.254 29.304 29.460 0.164 0.000 1.127 518 W HN 0.011 nan 8.180 nan 0.000 0.528 519 D N 0.536 121.175 120.400 0.397 0.000 2.087 519 D HA -0.230 4.410 4.640 -0.000 0.000 0.192 519 D C 2.048 178.378 176.300 0.051 0.000 0.993 519 D CA 2.017 56.179 54.000 0.271 0.000 0.828 519 D CB -0.493 40.466 40.800 0.265 0.000 0.968 519 D HN 0.158 nan 8.370 nan 0.000 0.448 520 K N 0.115 120.523 120.400 0.014 0.000 2.074 520 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 520 K C 2.179 178.683 176.600 -0.159 0.000 1.048 520 K CA 0.883 57.142 56.287 -0.047 0.000 0.926 520 K CB -0.204 32.272 32.500 -0.040 0.000 0.713 520 K HN 0.013 nan 8.250 nan 0.000 0.444 521 L N 0.754 121.792 121.223 -0.308 0.000 2.044 521 L HA -0.119 4.221 4.340 -0.000 0.000 0.205 521 L C 2.290 178.694 176.870 -0.776 0.000 1.075 521 L CA 2.391 56.847 54.840 -0.640 0.000 0.747 521 L CB -0.816 40.728 42.059 -0.858 0.000 0.903 521 L HN 0.372 nan 8.230 nan 0.000 0.435 522 T N -3.746 110.403 114.554 -0.674 0.000 3.035 522 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 522 T C 1.636 176.378 174.700 0.069 0.000 1.109 522 T CA 1.081 62.911 62.100 -0.450 0.000 1.119 522 T CB -0.342 68.143 68.868 -0.638 0.000 0.900 522 T HN 0.521 nan 8.240 nan 0.000 0.503 523 Q N 0.824 120.637 119.800 0.021 0.000 2.424 523 Q HA 0.166 4.506 4.340 -0.000 0.000 0.204 523 Q C 0.243 176.308 176.000 0.108 0.000 0.933 523 Q CA -0.073 55.795 55.803 0.108 0.000 0.929 523 Q CB 0.049 28.837 28.738 0.084 0.000 1.037 523 Q HN 0.602 nan 8.270 nan 0.000 0.511 524 D N 0.944 121.391 120.400 0.078 0.000 2.443 524 D HA -0.057 4.583 4.640 -0.000 0.000 0.239 524 D C 0.826 177.235 176.300 0.182 0.000 1.136 524 D CA 0.393 54.453 54.000 0.100 0.000 0.879 524 D CB 0.867 41.703 40.800 0.061 0.000 1.195 524 D HN -0.119 nan 8.370 nan 0.000 0.443 525 K N 1.368 121.849 120.400 0.136 0.000 2.228 525 K HA -0.057 4.263 4.320 -0.000 0.000 0.202 525 K C 1.579 178.265 176.600 0.144 0.000 1.051 525 K CA 0.478 56.845 56.287 0.132 0.000 0.960 525 K CB 0.187 32.739 32.500 0.086 0.000 0.743 525 K HN 0.346 nan 8.250 nan 0.000 0.458 526 S N 0.615 116.402 115.700 0.145 0.000 2.368 526 S HA -0.107 4.363 4.470 -0.000 0.000 0.224 526 S C 1.426 176.142 174.600 0.193 0.000 1.029 526 S CA 0.944 59.226 58.200 0.137 0.000 0.988 526 S CB -0.344 62.925 63.200 0.115 0.000 0.838 526 S HN 0.374 nan 8.310 nan 0.000 0.462 527 F N 3.386 123.395 119.950 0.099 0.000 2.161 527 F HA -0.077 4.450 4.527 -0.000 0.000 0.300 527 F C 1.779 177.775 175.800 0.326 0.000 1.089 527 F CA 1.087 59.178 58.000 0.153 0.000 1.282 527 F CB -0.410 38.616 39.000 0.044 0.000 1.010 527 F HN 0.125 nan 8.300 nan 0.000 0.485 528 N N 0.455 119.364 118.700 0.348 0.000 2.573 528 N HA -0.124 4.616 4.740 -0.000 0.000 0.187 528 N C -0.381 175.194 175.510 0.109 0.000 1.107 528 N CA 0.795 53.987 53.050 0.236 0.000 0.918 528 N CB -0.601 37.990 38.487 0.174 0.000 0.966 528 N HN 0.364 nan 8.380 nan 0.000 0.448 529 D N 0.673 121.143 120.400 0.115 0.000 2.349 529 D HA 0.055 4.695 4.640 -0.000 0.000 0.232 529 D C -0.220 176.128 176.300 0.081 0.000 1.071 529 D CA -0.689 53.359 54.000 0.080 0.000 0.832 529 D CB 0.356 41.191 40.800 0.058 0.000 1.086 529 D HN 0.055 nan 8.370 nan 0.000 0.504 530 N N 2.742 121.507 118.700 0.108 0.000 2.950 530 N HA -0.077 4.663 4.740 -0.000 0.000 0.313 530 N C 0.344 175.847 175.510 -0.013 0.000 1.213 530 N CA -0.039 53.050 53.050 0.065 0.000 1.184 530 N CB 0.184 38.758 38.487 0.146 0.000 1.454 530 N HN 0.276 nan 8.380 nan 0.000 0.532 531 S N 0.261 115.933 115.700 -0.046 0.000 2.439 531 S HA 0.031 4.501 4.470 -0.000 0.000 0.224 531 S C 0.433 175.006 174.600 -0.045 0.000 1.029 531 S CA 0.173 58.356 58.200 -0.028 0.000 0.946 531 S CB 0.009 63.201 63.200 -0.013 0.000 0.797 531 S HN 0.655 nan 8.310 nan 0.000 0.504 532 K N 0.029 120.368 120.400 -0.101 0.000 2.555 532 K HA 0.551 4.871 4.320 -0.000 0.000 0.279 532 K C -1.726 174.776 176.600 -0.163 0.000 0.986 532 K CA -1.148 55.089 56.287 -0.084 0.000 0.880 532 K CB 0.602 33.076 32.500 -0.044 0.000 1.474 532 K HN -0.019 nan 8.250 nan 0.000 0.433 533 I N 1.692 122.206 120.570 -0.093 0.000 2.683 533 I HA 0.104 4.274 4.170 -0.000 0.000 0.286 533 I C 0.191 176.227 176.117 -0.134 0.000 1.175 533 I CA 0.417 61.645 61.300 -0.120 0.000 1.429 533 I CB -0.190 37.793 38.000 -0.029 0.000 1.371 533 I HN 0.375 nan 8.210 nan 0.000 0.569 534 R N 5.997 126.350 120.500 -0.245 0.000 2.686 534 R HA 0.696 5.036 4.340 -0.000 0.000 0.283 534 R C -0.979 175.237 176.300 -0.141 0.000 0.978 534 R CA -0.956 55.038 56.100 -0.175 0.000 0.897 534 R CB 2.350 32.495 30.300 -0.258 0.000 1.192 534 R HN 0.593 nan 8.270 nan 0.000 0.457 535 M N 3.364 122.926 119.600 -0.064 0.000 2.243 535 M HA 0.442 4.922 4.480 -0.000 0.000 0.324 535 M C -1.604 174.655 176.300 -0.068 0.000 1.031 535 M CA -0.842 54.410 55.300 -0.080 0.000 0.949 535 M CB 1.243 33.830 32.600 -0.022 0.000 1.615 535 M HN 0.478 nan 8.290 nan 0.000 0.430 536 I N 3.895 124.356 120.570 -0.182 0.000 2.389 536 I HA 0.328 4.498 4.170 -0.000 0.000 0.288 536 I C -0.388 175.742 176.117 0.022 0.000 0.999 536 I CA -0.193 61.042 61.300 -0.108 0.000 1.129 536 I CB 1.884 39.643 38.000 -0.402 0.000 1.288 536 I HN 0.603 nan 8.210 nan 0.000 0.444 537 E N 5.966 126.226 120.200 0.099 0.000 2.092 537 E HA 0.436 4.786 4.350 -0.000 0.000 0.271 537 E C -1.360 175.350 176.600 0.183 0.000 0.919 537 E CA -0.559 55.924 56.400 0.138 0.000 0.760 537 E CB 1.178 30.970 29.700 0.154 0.000 1.106 537 E HN 0.407 nan 8.360 nan 0.000 0.408 538 V N 6.441 126.489 119.914 0.224 0.000 2.339 538 V HA 0.136 4.256 4.120 -0.000 0.000 0.261 538 V C 0.277 176.468 176.094 0.162 0.000 1.058 538 V CA -0.540 61.903 62.300 0.238 0.000 0.897 538 V CB 0.597 32.606 31.823 0.310 0.000 1.052 538 V HN 0.770 nan 8.190 nan 0.000 0.480 539 M N 6.710 126.387 119.600 0.129 0.000 2.307 539 M HA 0.384 4.864 4.480 -0.000 0.000 0.346 539 M C -0.516 175.823 176.300 0.064 0.000 1.552 539 M CA 0.596 55.951 55.300 0.091 0.000 1.116 539 M CB -0.338 32.304 32.600 0.071 0.000 1.889 539 M HN 0.391 nan 8.290 nan 0.000 0.460 540 L N 5.692 126.948 121.223 0.056 0.000 2.333 540 L HA 0.643 4.983 4.340 -0.000 0.000 0.263 540 L C -2.026 174.851 176.870 0.011 0.000 1.014 540 L CA -1.986 52.874 54.840 0.034 0.000 0.820 540 L CB 2.485 44.574 42.059 0.049 0.000 1.352 540 L HN 0.453 nan 8.230 nan 0.000 0.421 541 P HA 0.072 nan 4.420 nan 0.000 0.272 541 P C 0.826 178.080 177.300 -0.078 0.000 1.223 541 P CA -0.352 62.732 63.100 -0.026 0.000 0.784 541 P CB 1.346 33.048 31.700 0.003 0.000 0.923 542 V N 1.669 121.463 119.914 -0.200 0.000 2.231 542 V HA -0.268 3.852 4.120 -0.000 0.000 0.250 542 V C 1.823 177.613 176.094 -0.507 0.000 1.058 542 V CA 2.125 64.153 62.300 -0.453 0.000 1.022 542 V CB -1.268 30.062 31.823 -0.823 0.000 0.640 542 V HN 0.466 nan 8.190 nan 0.000 0.445 543 F N -0.214 119.758 119.950 0.037 0.000 2.732 543 F HA 0.291 4.818 4.527 -0.000 0.000 0.303 543 F C 0.747 176.576 175.800 0.048 0.000 1.110 543 F CA -0.947 57.077 58.000 0.041 0.000 1.355 543 F CB -0.547 38.468 39.000 0.024 0.000 1.081 543 F HN 0.150 nan 8.300 nan 0.000 0.565 544 D N 1.091 121.573 120.400 0.136 0.000 2.345 544 D HA 0.537 5.177 4.640 -0.000 0.000 0.247 544 D C -0.225 176.158 176.300 0.138 0.000 1.108 544 D CA 0.244 54.318 54.000 0.123 0.000 0.894 544 D CB 0.956 41.805 40.800 0.081 0.000 1.203 544 D HN 0.207 nan 8.370 nan 0.000 0.430 545 A N 3.234 126.138 122.820 0.140 0.000 2.566 545 A HA 0.554 4.874 4.320 -0.000 0.000 0.290 545 A C -2.780 174.891 177.584 0.145 0.000 1.071 545 A CA -1.311 50.826 52.037 0.166 0.000 0.658 545 A CB 0.553 19.642 19.000 0.149 0.000 1.285 545 A HN 0.479 nan 8.150 nan 0.000 0.427 546 P HA -0.009 nan 4.420 nan 0.000 0.258 546 P C 0.853 178.173 177.300 0.033 0.000 1.172 546 P CA 0.523 63.687 63.100 0.106 0.000 0.762 546 P CB 0.498 32.213 31.700 0.025 0.000 0.764 547 Q N 4.387 124.210 119.800 0.039 0.000 2.124 547 Q HA -0.383 3.957 4.340 -0.000 0.000 0.215 547 Q C 1.416 177.399 176.000 -0.029 0.000 1.015 547 Q CA 2.219 58.029 55.803 0.010 0.000 0.890 547 Q CB -0.296 28.450 28.738 0.013 0.000 0.966 547 Q HN 0.509 nan 8.270 nan 0.000 0.412 548 N N -0.085 118.581 118.700 -0.056 0.000 2.149 548 N HA -0.190 4.550 4.740 -0.000 0.000 0.188 548 N C 1.919 177.355 175.510 -0.123 0.000 1.019 548 N CA 1.141 54.135 53.050 -0.093 0.000 0.857 548 N CB -0.148 38.265 38.487 -0.123 0.000 0.997 548 N HN 0.219 nan 8.380 nan 0.000 0.426 549 L N 1.161 122.295 121.223 -0.149 0.000 2.027 549 L HA -0.034 4.306 4.340 -0.000 0.000 0.206 549 L C 1.983 178.782 176.870 -0.118 0.000 1.074 549 L CA 1.272 55.985 54.840 -0.211 0.000 0.745 549 L CB -0.629 41.271 42.059 -0.264 0.000 0.898 549 L HN -0.079 nan 8.230 nan 0.000 0.433 550 V N -0.556 119.326 119.914 -0.053 0.000 3.444 550 V HA -0.093 4.027 4.120 -0.000 0.000 0.271 550 V C 2.160 178.237 176.094 -0.028 0.000 1.188 550 V CA 1.101 63.391 62.300 -0.017 0.000 1.168 550 V CB -0.599 31.236 31.823 0.020 0.000 0.810 550 V HN 0.549 nan 8.190 nan 0.000 0.500 551 E N -0.900 119.272 120.200 -0.047 0.000 2.244 551 E HA 0.011 4.361 4.350 -0.000 0.000 0.196 551 E C 1.917 178.489 176.600 -0.047 0.000 0.939 551 E CA 0.345 56.719 56.400 -0.043 0.000 0.884 551 E CB 0.278 29.950 29.700 -0.047 0.000 0.850 551 E HN 0.535 nan 8.360 nan 0.000 0.481 552 Q N -0.493 119.270 119.800 -0.061 0.000 2.424 552 Q HA 0.176 4.516 4.340 -0.000 0.000 0.204 552 Q C 1.498 177.476 176.000 -0.037 0.000 0.933 552 Q CA 0.529 56.303 55.803 -0.049 0.000 0.929 552 Q CB 0.667 29.373 28.738 -0.054 0.000 1.037 552 Q HN 0.164 nan 8.270 nan 0.000 0.511 553 A N 0.296 123.091 122.820 -0.041 0.000 2.169 553 A HA -0.035 4.285 4.320 -0.000 0.000 0.212 553 A C 1.867 179.442 177.584 -0.015 0.000 1.153 553 A CA 0.670 52.695 52.037 -0.021 0.000 0.756 553 A CB 0.119 19.111 19.000 -0.014 0.000 0.813 553 A HN 0.112 nan 8.150 nan 0.000 0.471 554 K N -1.011 119.375 120.400 -0.023 0.000 2.242 554 K HA 0.155 4.475 4.320 -0.000 0.000 0.200 554 K C 1.331 177.917 176.600 -0.022 0.000 1.050 554 K CA 0.278 56.550 56.287 -0.025 0.000 0.981 554 K CB -0.072 32.410 32.500 -0.030 0.000 0.795 554 K HN 0.254 nan 8.250 nan 0.000 0.477 555 L N 1.337 122.547 121.223 -0.023 0.000 2.044 555 L HA -0.062 4.278 4.340 -0.000 0.000 0.205 555 L C 1.738 178.598 176.870 -0.016 0.000 1.075 555 L CA 1.504 56.331 54.840 -0.021 0.000 0.747 555 L CB -1.173 40.871 42.059 -0.024 0.000 0.903 555 L HN 0.252 nan 8.230 nan 0.000 0.435 556 T N 0.000 114.546 114.554 -0.014 0.000 3.816 556 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 556 T CA 0.000 62.095 62.100 -0.009 0.000 1.349 556 T CB 0.000 68.863 68.868 -0.009 0.000 0.612 556 T HN 0.000 nan 8.240 nan 0.000 0.658