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 3qc9_1_D DATA FIRST_RESID 31 DATA SEQUENCE RDRKYLARLK LPPLSKCEAL RESLDLGFEG MCLEQPIGKR LFQQFLRTHE DATA SEQUENCE QHGPALQLWK DIEDYDTADD ALRPQKAQAL RAAYLEPQAQ LFCSFLDAET DATA SEQUENCE VARARAGAGD GLFQPLLRAV LAHLGQAPFQ EFLDSLYFLR FLQWKWLEAQ DATA SEQUENCE PMGEDWFLDF RVLGRGGFGE VFACQMKATG KLYACKKLNK KRLKKRKGYQ DATA SEQUENCE GAMVEKKILA KVHSRFIVSL AYAFETKTDL CLVMTIMNGG DIRYHIYNVD DATA SEQUENCE EDNPGFQEPR AIFYTAQIVS GLEHLHQRNI IYRDLKPENV LLDDDGNVRI DATA SEQUENCE SDLGLAVELK AGQTKTKGYA GTPGFMAPEL LLGEEYDFSV DYFALGVTLY DATA SEQUENCE EMIAARGPFR ARGEKVENKE LKQRVLEQAV TYPDKFSPAS KDFCEALLQK DATA SEQUENCE DPEKRLGFRD GSCDGLRTHP LFRDISWRQL EAGMLTPPFV PDXXXXXXXX DATA SEQUENCE XXXXXXXXXV KGVAFEKADT EFFQEFASGT CPIPWQEEMI ETGVFGDLNV DATA SEQUENCE WRP 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 31 R HA 0.000 nan 4.340 nan 0.000 0.208 31 R C 0.000 176.297 176.300 -0.006 0.000 0.893 31 R CA 0.000 56.093 56.100 -0.011 0.000 0.921 31 R CB 0.000 30.302 30.300 0.003 0.000 0.687 32 D N 3.820 124.217 120.400 -0.004 0.000 2.382 32 D HA 0.014 4.657 4.640 0.005 0.000 0.259 32 D C 0.922 177.231 176.300 0.014 0.000 1.224 32 D CA 0.241 54.248 54.000 0.012 0.000 0.894 32 D CB 1.006 41.831 40.800 0.041 0.000 1.127 32 D HN 0.567 nan 8.370 nan 0.000 0.487 33 R N 4.229 124.724 120.500 -0.009 0.000 2.092 33 R HA -0.118 4.225 4.340 0.005 0.000 0.231 33 R C 2.010 178.273 176.300 -0.061 0.000 1.119 33 R CA 0.942 57.028 56.100 -0.024 0.000 0.970 33 R CB 0.068 30.352 30.300 -0.027 0.000 0.864 33 R HN 0.405 nan 8.270 nan 0.000 0.440 34 K N -0.357 119.985 120.400 -0.096 0.000 2.074 34 K HA -0.220 4.103 4.320 0.005 0.000 0.209 34 K C 1.520 177.912 176.600 -0.346 0.000 1.048 34 K CA 1.718 57.877 56.287 -0.215 0.000 0.926 34 K CB -0.184 32.159 32.500 -0.261 0.000 0.713 34 K HN 0.263 nan 8.250 nan 0.000 0.444 35 Y N 0.278 120.422 120.300 -0.260 0.000 2.314 35 Y HA -0.128 4.426 4.550 0.005 0.000 0.294 35 Y C 2.079 177.829 175.900 -0.250 0.000 1.119 35 Y CA 0.515 58.356 58.100 -0.432 0.000 1.179 35 Y CB -0.139 37.945 38.460 -0.626 0.000 1.025 35 Y HN 0.060 nan 8.280 nan 0.000 0.541 36 L N 0.648 121.877 121.223 0.010 0.000 2.051 36 L HA -0.246 4.098 4.340 0.005 0.000 0.214 36 L C 2.205 179.103 176.870 0.047 0.000 1.076 36 L CA 2.144 57.017 54.840 0.055 0.000 0.758 36 L CB -1.099 40.983 42.059 0.039 0.000 0.890 36 L HN 0.159 nan 8.230 nan 0.000 0.433 37 A N -1.076 121.732 122.820 -0.019 0.000 2.216 37 A HA -0.104 4.220 4.320 0.005 0.000 0.214 37 A C 2.181 179.767 177.584 0.003 0.000 1.160 37 A CA 0.905 52.929 52.037 -0.020 0.000 0.725 37 A CB -0.556 18.407 19.000 -0.062 0.000 0.784 37 A HN 0.543 nan 8.150 nan 0.000 0.472 38 R N -0.744 119.768 120.500 0.019 0.000 2.310 38 R HA 0.225 4.568 4.340 0.005 0.000 0.202 38 R C -0.529 175.929 176.300 0.264 0.000 0.933 38 R CA 0.075 56.243 56.100 0.113 0.000 1.054 38 R CB -0.044 30.314 30.300 0.096 0.000 0.985 38 R HN 0.388 nan 8.270 nan 0.000 0.489 39 L N 2.223 123.597 121.223 0.252 0.000 2.314 39 L HA 0.332 4.676 4.340 0.005 0.000 0.275 39 L C -0.305 176.656 176.870 0.150 0.000 1.068 39 L CA -0.251 54.760 54.840 0.285 0.000 0.894 39 L CB 0.493 42.755 42.059 0.339 0.000 1.275 39 L HN -0.231 nan 8.230 nan 0.000 0.432 40 K N 4.059 124.534 120.400 0.124 0.000 2.513 40 K HA 0.492 4.815 4.320 0.005 0.000 0.251 40 K C -0.664 175.924 176.600 -0.020 0.000 0.939 40 K CA -0.698 55.599 56.287 0.017 0.000 0.793 40 K CB 3.077 35.585 32.500 0.014 0.000 1.241 40 K HN 0.390 nan 8.250 nan 0.000 0.431 41 L N 4.696 125.818 121.223 -0.169 0.000 2.485 41 L HA 0.116 4.460 4.340 0.005 0.000 0.275 41 L C -1.489 175.230 176.870 -0.252 0.000 1.207 41 L CA -1.110 53.581 54.840 -0.248 0.000 0.855 41 L CB -0.025 41.816 42.059 -0.362 0.000 1.114 41 L HN 0.330 nan 8.230 nan 0.000 0.485 42 P HA 0.329 nan 4.420 nan 0.000 0.278 42 P C -2.661 174.365 177.300 -0.456 0.000 1.258 42 P CA -1.881 60.825 63.100 -0.657 0.000 0.811 42 P CB 0.087 30.895 31.700 -1.486 0.000 1.063 43 P HA 0.033 nan 4.420 nan 0.000 0.266 43 P C 1.175 178.299 177.300 -0.293 0.000 1.195 43 P CA -0.145 62.786 63.100 -0.282 0.000 0.768 43 P CB 0.154 31.713 31.700 -0.235 0.000 0.838 44 L N 2.729 123.832 121.223 -0.199 0.000 2.129 44 L HA -0.216 4.127 4.340 0.005 0.000 0.212 44 L C 2.326 179.107 176.870 -0.149 0.000 1.087 44 L CA 2.344 57.088 54.840 -0.159 0.000 0.757 44 L CB -2.090 39.912 42.059 -0.095 0.000 0.896 44 L HN 0.465 nan 8.230 nan 0.000 0.434 45 S N -0.964 114.652 115.700 -0.140 0.000 2.399 45 S HA -0.221 4.252 4.470 0.005 0.000 0.231 45 S C 1.881 176.408 174.600 -0.121 0.000 1.022 45 S CA 0.949 59.086 58.200 -0.104 0.000 0.983 45 S CB -0.407 62.743 63.200 -0.084 0.000 0.803 45 S HN 0.454 nan 8.310 nan 0.000 0.480 46 K N -0.017 120.253 120.400 -0.216 0.000 2.515 46 K HA 0.099 4.423 4.320 0.005 0.000 0.196 46 K C 0.990 177.482 176.600 -0.180 0.000 1.038 46 K CA 0.878 57.017 56.287 -0.245 0.000 0.967 46 K CB -0.338 31.846 32.500 -0.527 0.000 0.780 46 K HN 0.492 nan 8.250 nan 0.000 0.483 47 C N 0.306 119.511 119.300 -0.159 0.000 2.855 47 C HA 0.161 4.625 4.460 0.005 0.000 0.279 47 C C 1.685 176.681 174.990 0.010 0.000 1.270 47 C CA -0.535 58.457 59.018 -0.043 0.000 1.702 47 C CB -0.586 27.101 27.740 -0.088 0.000 1.949 47 C HN 0.445 nan 8.230 nan 0.000 0.618 48 E N 2.112 122.313 120.200 0.002 0.000 2.072 48 E HA -0.112 4.241 4.350 0.005 0.000 0.191 48 E C 2.370 178.999 176.600 0.048 0.000 0.985 48 E CA 1.424 57.838 56.400 0.024 0.000 0.801 48 E CB -0.083 29.624 29.700 0.012 0.000 0.750 48 E HN 0.654 nan 8.360 nan 0.000 0.452 49 A N 1.614 124.467 122.820 0.054 0.000 1.858 49 A HA -0.148 4.175 4.320 0.005 0.000 0.216 49 A C 2.165 179.791 177.584 0.069 0.000 1.190 49 A CA 1.359 53.432 52.037 0.060 0.000 0.617 49 A CB -0.838 18.200 19.000 0.063 0.000 0.827 49 A HN 0.389 nan 8.150 nan 0.000 0.443 50 L N -1.767 119.508 121.223 0.086 0.000 2.650 50 L HA 0.175 4.518 4.340 0.005 0.000 0.235 50 L C 1.830 178.758 176.870 0.097 0.000 1.149 50 L CA 1.013 55.902 54.840 0.082 0.000 0.887 50 L CB -0.261 41.847 42.059 0.083 0.000 1.021 50 L HN 0.414 nan 8.230 nan 0.000 0.441 51 R N -0.201 120.359 120.500 0.100 0.000 2.299 51 R HA -0.041 4.303 4.340 0.005 0.000 0.197 51 R C 1.285 177.668 176.300 0.139 0.000 0.971 51 R CA 0.706 56.890 56.100 0.139 0.000 1.030 51 R CB 0.298 30.675 30.300 0.129 0.000 0.932 51 R HN 0.423 nan 8.270 nan 0.000 0.477 52 E N -0.653 119.607 120.200 0.100 0.000 2.206 52 E HA 0.006 4.359 4.350 0.005 0.000 0.195 52 E C 1.187 177.835 176.600 0.080 0.000 0.935 52 E CA 0.951 57.401 56.400 0.084 0.000 0.875 52 E CB 0.576 30.312 29.700 0.061 0.000 0.841 52 E HN 0.232 nan 8.360 nan 0.000 0.477 53 S N 0.379 116.122 115.700 0.072 0.000 2.881 53 S HA 0.132 4.605 4.470 0.005 0.000 0.228 53 S C 0.422 175.066 174.600 0.074 0.000 0.965 53 S CA 0.062 58.297 58.200 0.058 0.000 0.998 53 S CB -0.385 62.838 63.200 0.039 0.000 0.795 53 S HN 0.018 nan 8.310 nan 0.000 0.518 54 L N 1.230 122.518 121.223 0.109 0.000 2.365 54 L HA 0.469 4.812 4.340 0.005 0.000 0.273 54 L C -0.555 176.408 176.870 0.156 0.000 1.000 54 L CA -0.857 54.070 54.840 0.146 0.000 0.819 54 L CB 1.880 44.065 42.059 0.209 0.000 1.284 54 L HN 0.091 nan 8.230 nan 0.000 0.418 55 D N 1.839 122.326 120.400 0.145 0.000 2.358 55 D HA 0.129 4.772 4.640 0.005 0.000 0.258 55 D C 1.023 177.431 176.300 0.179 0.000 1.223 55 D CA -0.029 54.048 54.000 0.128 0.000 0.886 55 D CB 0.971 41.823 40.800 0.086 0.000 1.120 55 D HN 0.397 nan 8.370 nan 0.000 0.482 56 L N 3.313 124.638 121.223 0.171 0.000 2.291 56 L HA 0.136 4.479 4.340 0.005 0.000 0.214 56 L C 1.598 178.614 176.870 0.243 0.000 1.120 56 L CA 0.143 55.115 54.840 0.219 0.000 0.799 56 L CB -0.595 41.550 42.059 0.144 0.000 0.925 56 L HN 0.543 nan 8.230 nan 0.000 0.446 57 G N -0.382 108.492 108.800 0.123 0.000 2.163 57 G HA2 -0.243 3.721 3.960 0.005 0.000 0.239 57 G HA3 -0.243 3.721 3.960 0.005 0.000 0.239 57 G C 0.466 175.288 174.900 -0.131 0.000 1.148 57 G CA -0.059 45.058 45.100 0.030 0.000 0.880 57 G HN 0.141 nan 8.290 nan 0.000 0.466 58 F N 2.179 121.799 119.950 -0.550 0.000 2.026 58 F HA -0.181 4.349 4.527 0.005 0.000 0.296 58 F C 2.648 178.014 175.800 -0.722 0.000 1.133 58 F CA 2.491 59.778 58.000 -1.187 0.000 1.188 58 F CB -0.419 37.755 39.000 -1.376 0.000 0.968 58 F HN 0.725 nan 8.300 nan 0.000 0.476 59 E N -0.418 119.266 120.200 -0.860 0.000 2.153 59 E HA -0.078 4.275 4.350 0.005 0.000 0.194 59 E C 2.405 178.687 176.600 -0.530 0.000 0.988 59 E CA 1.146 57.042 56.400 -0.841 0.000 0.811 59 E CB -1.277 28.157 29.700 -0.443 0.000 0.746 59 E HN 0.485 nan 8.360 nan 0.000 0.466 60 G N 1.741 110.330 108.800 -0.351 0.000 2.440 60 G HA2 -0.289 3.674 3.960 0.005 0.000 0.218 60 G HA3 -0.289 3.674 3.960 0.005 0.000 0.218 60 G C 1.676 176.454 174.900 -0.203 0.000 1.154 60 G CA 1.373 46.348 45.100 -0.210 0.000 0.767 60 G HN 0.481 nan 8.290 nan 0.000 0.552 61 M N -1.714 117.719 119.600 -0.278 0.000 2.571 61 M HA 0.295 4.778 4.480 0.005 0.000 0.259 61 M C 1.823 177.883 176.300 -0.399 0.000 1.205 61 M CA 0.664 55.820 55.300 -0.241 0.000 1.138 61 M CB 0.375 32.875 32.600 -0.167 0.000 1.329 61 M HN 0.019 nan 8.290 nan 0.000 0.503 62 C N 0.270 119.203 119.300 -0.612 0.000 2.865 62 C HA 0.292 4.755 4.460 0.005 0.000 0.280 62 C C 2.137 176.871 174.990 -0.426 0.000 1.255 62 C CA -0.154 58.488 59.018 -0.627 0.000 1.705 62 C CB -0.163 26.951 27.740 -1.043 0.000 2.080 62 C HN 0.549 nan 8.230 nan 0.000 0.591 63 L N 0.478 121.393 121.223 -0.514 0.000 2.349 63 L HA 0.186 4.529 4.340 0.005 0.000 0.200 63 L C 2.240 179.001 176.870 -0.181 0.000 1.064 63 L CA 1.613 56.283 54.840 -0.283 0.000 0.821 63 L CB -1.101 40.718 42.059 -0.399 0.000 1.027 63 L HN 0.235 nan 8.230 nan 0.000 0.476 64 E N -0.552 119.516 120.200 -0.219 0.000 2.122 64 E HA -0.023 4.330 4.350 0.005 0.000 0.190 64 E C 0.356 176.868 176.600 -0.147 0.000 0.977 64 E CA 0.225 56.523 56.400 -0.171 0.000 0.820 64 E CB 0.164 29.759 29.700 -0.175 0.000 0.770 64 E HN 0.455 nan 8.360 nan 0.000 0.462 65 Q N 1.201 120.933 119.800 -0.112 0.000 2.337 65 Q HA 0.086 4.429 4.340 0.005 0.000 0.255 65 Q C -2.022 173.950 176.000 -0.047 0.000 0.997 65 Q CA -1.734 54.047 55.803 -0.036 0.000 0.925 65 Q CB 1.193 29.998 28.738 0.112 0.000 1.212 65 Q HN -0.012 nan 8.270 nan 0.000 0.436 66 P HA -0.235 nan 4.420 nan 0.000 0.216 66 P C 0.916 178.102 177.300 -0.190 0.000 1.154 66 P CA 1.456 64.468 63.100 -0.146 0.000 0.865 66 P CB 0.241 31.835 31.700 -0.177 0.000 0.789 67 I N -1.471 119.000 120.570 -0.164 0.000 2.353 67 I HA -0.105 4.068 4.170 0.005 0.000 0.248 67 I C 2.447 178.612 176.117 0.080 0.000 1.119 67 I CA 1.460 62.617 61.300 -0.239 0.000 1.417 67 I CB -1.048 36.791 38.000 -0.269 0.000 1.078 67 I HN 0.009 nan 8.210 nan 0.000 0.421 68 G N 0.926 109.863 108.800 0.229 0.000 2.440 68 G HA2 -0.314 3.649 3.960 0.005 0.000 0.218 68 G HA3 -0.314 3.649 3.960 0.005 0.000 0.218 68 G C 1.706 176.597 174.900 -0.015 0.000 1.154 68 G CA 0.894 45.997 45.100 0.004 0.000 0.767 68 G HN 0.298 nan 8.290 nan 0.000 0.552 69 K N 0.046 120.424 120.400 -0.035 0.000 2.057 69 K HA -0.100 4.223 4.320 0.005 0.000 0.207 69 K C 2.591 179.202 176.600 0.019 0.000 1.049 69 K CA 1.246 57.543 56.287 0.017 0.000 0.931 69 K CB -0.112 32.370 32.500 -0.030 0.000 0.714 69 K HN 0.165 nan 8.250 nan 0.000 0.440 70 R N 0.778 121.253 120.500 -0.043 0.000 2.075 70 R HA -0.004 4.339 4.340 0.005 0.000 0.232 70 R C 2.136 178.524 176.300 0.146 0.000 1.126 70 R CA 1.333 57.410 56.100 -0.039 0.000 0.963 70 R CB -0.368 29.802 30.300 -0.217 0.000 0.858 70 R HN 0.235 nan 8.270 nan 0.000 0.435 71 L N -0.618 120.777 121.223 0.286 0.000 2.217 71 L HA -0.063 4.280 4.340 0.005 0.000 0.211 71 L C 1.906 179.078 176.870 0.503 0.000 1.107 71 L CA 0.675 55.831 54.840 0.527 0.000 0.783 71 L CB -0.310 42.186 42.059 0.728 0.000 0.919 71 L HN 0.211 nan 8.230 nan 0.000 0.442 72 F N 0.455 120.445 119.950 0.067 0.000 2.335 72 F HA -0.092 4.439 4.527 0.005 0.000 0.296 72 F C 2.455 178.277 175.800 0.037 0.000 1.091 72 F CA 1.106 58.990 58.000 -0.193 0.000 1.399 72 F CB -0.103 38.570 39.000 -0.546 0.000 1.067 72 F HN -0.014 nan 8.300 nan 0.000 0.520 73 Q N -0.061 119.682 119.800 -0.095 0.000 2.167 73 Q HA -0.200 4.143 4.340 0.005 0.000 0.202 73 Q C 2.203 178.107 176.000 -0.161 0.000 0.970 73 Q CA 1.580 57.255 55.803 -0.213 0.000 0.855 73 Q CB -0.161 28.432 28.738 -0.241 0.000 0.911 73 Q HN 0.571 nan 8.270 nan 0.000 0.438 74 Q N -0.205 119.555 119.800 -0.066 0.000 2.020 74 Q HA -0.198 4.146 4.340 0.005 0.000 0.202 74 Q C 1.906 177.667 176.000 -0.399 0.000 0.982 74 Q CA 1.478 57.224 55.803 -0.095 0.000 0.838 74 Q CB -0.290 28.534 28.738 0.143 0.000 0.899 74 Q HN 0.337 nan 8.270 nan 0.000 0.423 75 F N 1.703 121.132 119.950 -0.868 0.000 2.045 75 F HA -0.320 4.210 4.527 0.006 0.000 0.297 75 F C 1.892 177.470 175.800 -0.370 0.000 1.114 75 F CA 1.682 59.179 58.000 -0.837 0.000 1.207 75 F CB -0.470 38.322 39.000 -0.347 0.000 0.964 75 F HN -0.010 nan 8.300 nan 0.000 0.486 76 L N -0.079 120.909 121.223 -0.393 0.000 2.043 76 L HA -0.268 4.075 4.340 0.005 0.000 0.212 76 L C 2.625 179.367 176.870 -0.214 0.000 1.075 76 L CA 1.898 56.525 54.840 -0.356 0.000 0.752 76 L CB -0.766 41.114 42.059 -0.297 0.000 0.891 76 L HN 0.189 nan 8.230 nan 0.000 0.432 77 R N 0.657 121.054 120.500 -0.172 0.000 2.148 77 R HA -0.119 4.224 4.340 0.005 0.000 0.227 77 R C 1.905 178.162 176.300 -0.072 0.000 1.103 77 R CA 1.772 57.818 56.100 -0.090 0.000 0.983 77 R CB -0.609 29.653 30.300 -0.063 0.000 0.874 77 R HN 0.453 nan 8.270 nan 0.000 0.451 78 T N -2.601 111.905 114.554 -0.081 0.000 3.163 78 T HA 0.159 4.512 4.350 0.005 0.000 0.252 78 T C -0.553 174.067 174.700 -0.133 0.000 1.056 78 T CA -0.378 61.690 62.100 -0.053 0.000 0.947 78 T CB -0.296 68.580 68.868 0.013 0.000 1.016 78 T HN 0.146 nan 8.240 nan 0.000 0.554 79 H N 1.148 120.032 119.070 -0.310 0.000 2.860 79 H HA 0.423 4.982 4.556 0.005 0.000 0.312 79 H C 0.754 175.940 175.328 -0.237 0.000 0.995 79 H CA -1.003 54.855 56.048 -0.316 0.000 1.311 79 H CB 1.176 30.637 29.762 -0.501 0.000 1.478 79 H HN 0.206 nan 8.280 nan 0.000 0.508 80 E N 2.092 122.221 120.200 -0.118 0.000 2.095 80 E HA -0.378 3.975 4.350 0.005 0.000 0.212 80 E C 1.181 177.736 176.600 -0.075 0.000 1.044 80 E CA 2.184 58.537 56.400 -0.078 0.000 0.857 80 E CB 0.055 29.711 29.700 -0.073 0.000 0.764 80 E HN 0.648 nan 8.360 nan 0.000 0.462 81 Q N 0.119 119.825 119.800 -0.156 0.000 2.118 81 Q HA -0.216 4.127 4.340 0.005 0.000 0.211 81 Q C 1.992 177.944 176.000 -0.081 0.000 0.998 81 Q CA 1.946 57.644 55.803 -0.176 0.000 0.872 81 Q CB -0.446 28.081 28.738 -0.351 0.000 0.925 81 Q HN 0.449 nan 8.270 nan 0.000 0.414 82 H N -0.679 118.396 119.070 0.007 0.000 2.551 82 H HA 0.206 4.765 4.556 0.005 0.000 0.266 82 H C 2.032 177.366 175.328 0.009 0.000 0.977 82 H CA 0.674 56.716 56.048 -0.010 0.000 1.163 82 H CB -0.512 29.196 29.762 -0.090 0.000 1.381 82 H HN 0.434 nan 8.280 nan 0.000 0.581 83 G N 2.517 111.379 108.800 0.104 0.000 2.574 83 G HA2 -0.266 3.697 3.960 0.005 0.000 0.220 83 G HA3 -0.266 3.697 3.960 0.005 0.000 0.220 83 G C -0.596 174.386 174.900 0.137 0.000 1.173 83 G CA 0.683 45.837 45.100 0.089 0.000 0.772 83 G HN 0.380 nan 8.290 nan 0.000 0.585 84 P HA -0.035 nan 4.420 nan 0.000 0.215 84 P C 2.254 179.673 177.300 0.199 0.000 1.157 84 P CA 2.121 65.368 63.100 0.245 0.000 0.868 84 P CB -0.239 31.618 31.700 0.261 0.000 0.788 85 A N -0.461 122.497 122.820 0.231 0.000 1.877 85 A HA -0.192 4.131 4.320 0.005 0.000 0.216 85 A C 2.182 179.865 177.584 0.165 0.000 1.186 85 A CA 1.721 53.887 52.037 0.215 0.000 0.620 85 A CB -1.755 17.284 19.000 0.066 0.000 0.822 85 A HN 0.179 nan 8.150 nan 0.000 0.443 86 L N -0.625 120.686 121.223 0.146 0.000 2.013 86 L HA -0.229 4.114 4.340 0.005 0.000 0.212 86 L C 2.353 179.268 176.870 0.074 0.000 1.073 86 L CA 2.426 57.353 54.840 0.145 0.000 0.753 86 L CB -0.640 41.443 42.059 0.040 0.000 0.890 86 L HN 0.343 nan 8.230 nan 0.000 0.432 87 Q N -0.673 119.152 119.800 0.043 0.000 2.124 87 Q HA -0.161 4.183 4.340 0.005 0.000 0.202 87 Q C 2.246 178.109 176.000 -0.227 0.000 0.977 87 Q CA 1.734 57.545 55.803 0.014 0.000 0.850 87 Q CB -0.772 28.091 28.738 0.209 0.000 0.901 87 Q HN 0.516 nan 8.270 nan 0.000 0.429 88 L N -0.020 120.886 121.223 -0.529 0.000 1.976 88 L HA -0.158 4.185 4.340 0.005 0.000 0.209 88 L C 1.985 178.741 176.870 -0.191 0.000 1.071 88 L CA 1.869 56.246 54.840 -0.772 0.000 0.746 88 L CB -1.102 40.590 42.059 -0.611 0.000 0.890 88 L HN 0.327 nan 8.230 nan 0.000 0.432 89 W N 1.225 122.404 121.300 -0.200 0.000 2.289 89 W HA -0.330 4.333 4.660 0.005 0.000 0.331 89 W C 2.604 179.076 176.519 -0.078 0.000 1.283 89 W CA 2.717 60.008 57.345 -0.091 0.000 1.252 89 W CB -0.863 28.575 29.460 -0.037 0.000 1.153 89 W HN 0.198 nan 8.180 nan 0.000 0.467 90 K N -0.631 119.747 120.400 -0.036 0.000 2.063 90 K HA -0.219 4.105 4.320 0.005 0.000 0.208 90 K C 1.637 178.213 176.600 -0.039 0.000 1.048 90 K CA 1.986 58.182 56.287 -0.150 0.000 0.928 90 K CB -0.577 31.834 32.500 -0.149 0.000 0.713 90 K HN 0.036 nan 8.250 nan 0.000 0.442 91 D N 0.695 121.079 120.400 -0.026 0.000 2.144 91 D HA -0.112 4.532 4.640 0.005 0.000 0.199 91 D C 1.783 178.112 176.300 0.048 0.000 0.984 91 D CA 0.898 54.907 54.000 0.016 0.000 0.834 91 D CB -0.087 40.726 40.800 0.021 0.000 0.955 91 D HN 0.185 nan 8.370 nan 0.000 0.465 92 I N 0.847 121.439 120.570 0.037 0.000 2.202 92 I HA -0.217 3.956 4.170 0.005 0.000 0.242 92 I C 2.128 178.372 176.117 0.211 0.000 1.091 92 I CA 1.086 62.456 61.300 0.118 0.000 1.368 92 I CB -0.239 37.836 38.000 0.125 0.000 1.058 92 I HN 0.004 nan 8.210 nan 0.000 0.410 93 E N 0.529 120.826 120.200 0.162 0.000 2.153 93 E HA -0.289 4.064 4.350 0.005 0.000 0.194 93 E C 1.613 178.277 176.600 0.106 0.000 0.988 93 E CA 1.608 58.085 56.400 0.129 0.000 0.811 93 E CB -0.192 29.545 29.700 0.062 0.000 0.746 93 E HN 0.482 nan 8.360 nan 0.000 0.466 94 D N 0.011 120.469 120.400 0.096 0.000 2.144 94 D HA -0.216 4.427 4.640 0.005 0.000 0.199 94 D C 1.797 178.183 176.300 0.144 0.000 0.984 94 D CA 0.834 54.889 54.000 0.091 0.000 0.834 94 D CB -0.101 40.746 40.800 0.078 0.000 0.955 94 D HN 0.185 nan 8.370 nan 0.000 0.465 95 Y N 0.808 121.161 120.300 0.087 0.000 2.242 95 Y HA -0.083 4.470 4.550 0.005 0.000 0.291 95 Y C 1.338 177.314 175.900 0.126 0.000 1.137 95 Y CA 1.542 59.721 58.100 0.132 0.000 1.181 95 Y CB -0.140 38.452 38.460 0.219 0.000 0.989 95 Y HN -0.082 nan 8.280 nan 0.000 0.527 96 D N -1.045 119.454 120.400 0.166 0.000 2.378 96 D HA -0.043 4.601 4.640 0.005 0.000 0.227 96 D C 1.039 177.346 176.300 0.011 0.000 1.012 96 D CA 1.157 55.207 54.000 0.083 0.000 0.905 96 D CB 0.098 40.995 40.800 0.161 0.000 0.895 96 D HN 0.310 nan 8.370 nan 0.000 0.532 97 T N -0.799 113.753 114.554 -0.004 0.000 3.087 97 T HA 0.347 4.700 4.350 0.005 0.000 0.283 97 T C 0.434 175.118 174.700 -0.026 0.000 0.956 97 T CA -0.291 61.806 62.100 -0.004 0.000 0.894 97 T CB 0.873 69.750 68.868 0.014 0.000 1.160 97 T HN 0.068 nan 8.240 nan 0.000 0.532 98 A N 1.320 124.101 122.820 -0.065 0.000 2.322 98 A HA 0.466 4.790 4.320 0.005 0.000 0.269 98 A C -0.029 177.514 177.584 -0.069 0.000 1.094 98 A CA -0.434 51.569 52.037 -0.058 0.000 0.807 98 A CB 0.224 19.187 19.000 -0.063 0.000 1.047 98 A HN 0.213 nan 8.150 nan 0.000 0.487 99 D N 0.837 121.215 120.400 -0.037 0.000 2.472 99 D HA -0.023 4.621 4.640 0.005 0.000 0.237 99 D C 0.476 176.750 176.300 -0.044 0.000 1.141 99 D CA 0.177 54.158 54.000 -0.032 0.000 0.875 99 D CB 0.779 41.570 40.800 -0.015 0.000 1.192 99 D HN 0.511 nan 8.370 nan 0.000 0.450 100 D N 1.906 122.282 120.400 -0.041 0.000 2.190 100 D HA -0.181 4.462 4.640 0.005 0.000 0.200 100 D C 1.750 178.040 176.300 -0.015 0.000 0.992 100 D CA 1.009 54.986 54.000 -0.039 0.000 0.854 100 D CB 0.167 40.953 40.800 -0.023 0.000 0.936 100 D HN 0.488 nan 8.370 nan 0.000 0.462 101 A N 0.146 122.962 122.820 -0.006 0.000 1.933 101 A HA -0.132 4.191 4.320 0.005 0.000 0.218 101 A C 2.159 179.756 177.584 0.021 0.000 1.175 101 A CA 0.960 53.002 52.037 0.008 0.000 0.628 101 A CB -0.418 18.585 19.000 0.006 0.000 0.814 101 A HN 0.219 nan 8.150 nan 0.000 0.444 102 L N -0.951 120.284 121.223 0.019 0.000 2.592 102 L HA 0.122 4.465 4.340 0.005 0.000 0.227 102 L C 2.348 179.266 176.870 0.080 0.000 1.127 102 L CA 0.220 55.086 54.840 0.044 0.000 0.884 102 L CB -0.109 41.973 42.059 0.038 0.000 1.065 102 L HN 0.268 nan 8.230 nan 0.000 0.457 103 R N 0.328 120.861 120.500 0.055 0.000 2.070 103 R HA -0.133 4.210 4.340 0.005 0.000 0.233 103 R C -0.361 176.134 176.300 0.324 0.000 1.137 103 R CA 1.449 57.626 56.100 0.127 0.000 0.945 103 R CB -1.745 28.529 30.300 -0.044 0.000 0.845 103 R HN 0.289 nan 8.270 nan 0.000 0.430 104 P HA -0.245 nan 4.420 nan 0.000 0.216 104 P C 1.147 178.549 177.300 0.170 0.000 1.157 104 P CA 1.717 64.921 63.100 0.174 0.000 0.880 104 P CB -0.106 31.656 31.700 0.104 0.000 0.791 105 Q N -0.292 119.594 119.800 0.142 0.000 2.123 105 Q HA -0.066 4.277 4.340 0.005 0.000 0.199 105 Q C 1.949 178.034 176.000 0.142 0.000 0.966 105 Q CA 1.147 57.020 55.803 0.116 0.000 0.845 105 Q CB -0.776 28.012 28.738 0.084 0.000 0.907 105 Q HN 0.142 nan 8.270 nan 0.000 0.439 106 K N 0.838 121.358 120.400 0.200 0.000 2.152 106 K HA -0.094 4.229 4.320 0.005 0.000 0.206 106 K C 2.194 178.922 176.600 0.214 0.000 1.048 106 K CA 1.242 57.669 56.287 0.233 0.000 0.933 106 K CB -0.234 32.474 32.500 0.346 0.000 0.721 106 K HN 0.354 nan 8.250 nan 0.000 0.447 107 A N 1.238 124.219 122.820 0.268 0.000 1.929 107 A HA -0.213 4.110 4.320 0.005 0.000 0.216 107 A C 2.130 179.811 177.584 0.162 0.000 1.176 107 A CA 1.234 53.404 52.037 0.222 0.000 0.628 107 A CB -0.405 18.744 19.000 0.248 0.000 0.816 107 A HN 0.339 nan 8.150 nan 0.000 0.444 108 Q N -0.324 119.554 119.800 0.131 0.000 1.948 108 Q HA -0.160 4.184 4.340 0.005 0.000 0.205 108 Q C 2.237 178.267 176.000 0.050 0.000 0.992 108 Q CA 1.946 57.800 55.803 0.084 0.000 0.849 108 Q CB -0.428 28.354 28.738 0.072 0.000 0.918 108 Q HN 0.549 nan 8.270 nan 0.000 0.421 109 A N 0.821 123.668 122.820 0.044 0.000 1.997 109 A HA -0.225 4.098 4.320 0.005 0.000 0.221 109 A C 2.056 179.631 177.584 -0.015 0.000 1.172 109 A CA 1.625 53.668 52.037 0.010 0.000 0.645 109 A CB -0.870 18.144 19.000 0.025 0.000 0.813 109 A HN 0.586 nan 8.150 nan 0.000 0.454 110 L N -1.263 119.964 121.223 0.006 0.000 2.072 110 L HA -0.121 4.222 4.340 0.005 0.000 0.205 110 L C 2.726 179.598 176.870 0.003 0.000 1.079 110 L CA 1.380 56.221 54.840 0.002 0.000 0.752 110 L CB -0.213 41.711 42.059 -0.226 0.000 0.906 110 L HN 0.332 nan 8.230 nan 0.000 0.436 111 R N -0.396 120.100 120.500 -0.006 0.000 2.092 111 R HA -0.077 4.266 4.340 0.005 0.000 0.231 111 R C 2.331 178.639 176.300 0.014 0.000 1.119 111 R CA 1.193 57.312 56.100 0.032 0.000 0.970 111 R CB -0.519 29.826 30.300 0.077 0.000 0.864 111 R HN 0.454 nan 8.270 nan 0.000 0.440 112 A N 1.006 123.817 122.820 -0.015 0.000 1.933 112 A HA -0.090 4.233 4.320 0.005 0.000 0.218 112 A C 2.218 179.735 177.584 -0.111 0.000 1.175 112 A CA 1.776 53.788 52.037 -0.042 0.000 0.628 112 A CB -0.450 18.526 19.000 -0.040 0.000 0.814 112 A HN 0.397 nan 8.150 nan 0.000 0.444 113 A N -2.783 119.893 122.820 -0.240 0.000 2.095 113 A HA 0.340 4.664 4.320 0.005 0.000 0.212 113 A C 1.502 178.643 177.584 -0.739 0.000 1.162 113 A CA 0.969 52.669 52.037 -0.561 0.000 0.753 113 A CB -0.165 18.318 19.000 -0.861 0.000 0.840 113 A HN 0.603 nan 8.150 nan 0.000 0.468 114 Y N -2.359 117.936 120.300 -0.007 0.000 2.476 114 Y HA 0.373 4.926 4.550 0.006 0.000 0.261 114 Y C 1.389 177.264 175.900 -0.041 0.000 1.077 114 Y CA -0.159 57.916 58.100 -0.041 0.000 1.240 114 Y CB 0.554 38.946 38.460 -0.113 0.000 1.317 114 Y HN 0.102 nan 8.280 nan 0.000 0.540 115 L N -0.451 120.864 121.223 0.154 0.000 2.717 115 L HA 0.225 4.568 4.340 0.005 0.000 0.239 115 L C 0.117 177.159 176.870 0.285 0.000 1.086 115 L CA 0.206 55.146 54.840 0.166 0.000 0.897 115 L CB 0.430 42.539 42.059 0.085 0.000 1.214 115 L HN -0.029 nan 8.230 nan 0.000 0.508 116 E N 1.787 122.104 120.200 0.195 0.000 2.290 116 E HA 0.047 4.400 4.350 0.005 0.000 0.277 116 E C -1.741 174.857 176.600 -0.003 0.000 1.035 116 E CA -1.652 54.800 56.400 0.086 0.000 0.873 116 E CB 0.879 30.587 29.700 0.013 0.000 1.029 116 E HN -0.029 nan 8.360 nan 0.000 0.419 117 P HA -0.177 nan 4.420 nan 0.000 0.228 117 P C 0.814 177.714 177.300 -0.668 0.000 1.151 117 P CA 0.954 63.339 63.100 -1.192 0.000 0.770 117 P CB 0.283 31.518 31.700 -0.775 0.000 0.786 118 Q N 0.344 119.966 119.800 -0.297 0.000 1.916 118 Q HA -0.035 4.308 4.340 0.005 0.000 0.203 118 Q C 1.236 177.177 176.000 -0.099 0.000 0.983 118 Q CA 0.931 56.635 55.803 -0.166 0.000 0.846 118 Q CB -1.507 27.171 28.738 -0.100 0.000 0.909 118 Q HN 0.140 nan 8.270 nan 0.000 0.427 119 A N 1.573 124.367 122.820 -0.045 0.000 2.632 119 A HA -0.191 4.132 4.320 0.005 0.000 0.229 119 A C 1.226 178.829 177.584 0.031 0.000 1.047 119 A CA 0.590 52.620 52.037 -0.013 0.000 0.754 119 A CB 0.029 19.012 19.000 -0.028 0.000 0.969 119 A HN 0.413 nan 8.150 nan 0.000 0.509 120 Q N 0.677 120.481 119.800 0.008 0.000 2.077 120 Q HA -0.156 4.187 4.340 0.005 0.000 0.206 120 Q C 1.100 177.149 176.000 0.081 0.000 0.989 120 Q CA 1.915 57.738 55.803 0.033 0.000 0.853 120 Q CB -0.266 28.479 28.738 0.010 0.000 0.907 120 Q HN 0.771 nan 8.270 nan 0.000 0.418 121 L N 0.789 122.042 121.223 0.050 0.000 2.672 121 L HA 0.148 4.492 4.340 0.005 0.000 0.236 121 L C 0.145 177.138 176.870 0.204 0.000 1.186 121 L CA -0.805 54.105 54.840 0.118 0.000 0.977 121 L CB -0.366 41.719 42.059 0.044 0.000 1.203 121 L HN 0.145 nan 8.230 nan 0.000 0.448 122 F N 0.577 120.548 119.950 0.035 0.000 2.602 122 F HA -0.058 4.473 4.527 0.006 0.000 0.367 122 F C 0.548 176.375 175.800 0.046 0.000 1.126 122 F CA -0.334 57.682 58.000 0.028 0.000 1.321 122 F CB 0.432 39.426 39.000 -0.010 0.000 1.094 122 F HN -0.038 nan 8.300 nan 0.000 0.594 123 C N 6.542 125.283 119.300 -0.932 0.000 2.125 123 C HA 0.182 4.646 4.460 0.005 0.000 0.355 123 C C 1.558 175.860 174.990 -1.146 0.000 1.047 123 C CA 0.039 58.554 59.018 -0.839 0.000 1.501 123 C CB -1.250 25.948 27.740 -0.904 0.000 1.783 123 C HN 0.963 nan 8.230 nan 0.000 0.455 124 S N 1.340 116.716 115.700 -0.540 0.000 2.469 124 S HA -0.194 4.279 4.470 0.005 0.000 0.238 124 S C 1.169 175.653 174.600 -0.194 0.000 0.998 124 S CA 1.011 59.098 58.200 -0.189 0.000 0.957 124 S CB -0.567 62.723 63.200 0.151 0.000 0.764 124 S HN 0.825 nan 8.310 nan 0.000 0.514 125 F N 0.882 120.671 119.950 -0.268 0.000 2.710 125 F HA 0.452 4.982 4.527 0.006 0.000 0.298 125 F C 0.449 176.092 175.800 -0.262 0.000 1.137 125 F CA -0.709 57.105 58.000 -0.310 0.000 1.444 125 F CB -0.550 38.016 39.000 -0.724 0.000 1.111 125 F HN 0.007 nan 8.300 nan 0.000 0.580 126 L N 3.453 124.196 121.223 -0.801 0.000 2.325 126 L HA 0.168 4.511 4.340 0.005 0.000 0.284 126 L C -0.261 176.462 176.870 -0.245 0.000 1.089 126 L CA -0.692 53.836 54.840 -0.519 0.000 0.836 126 L CB 0.041 41.718 42.059 -0.637 0.000 1.184 126 L HN 0.238 nan 8.230 nan 0.000 0.444 127 D N 2.222 122.551 120.400 -0.119 0.000 2.488 127 D HA 0.103 4.746 4.640 0.005 0.000 0.238 127 D C 1.145 177.418 176.300 -0.046 0.000 1.138 127 D CA 0.076 54.044 54.000 -0.052 0.000 0.873 127 D CB 1.256 42.044 40.800 -0.020 0.000 1.183 127 D HN 0.536 nan 8.370 nan 0.000 0.458 128 A N 2.246 125.059 122.820 -0.012 0.000 1.986 128 A HA -0.316 4.007 4.320 0.005 0.000 0.220 128 A C 2.032 179.616 177.584 0.001 0.000 1.171 128 A CA 1.730 53.771 52.037 0.007 0.000 0.640 128 A CB -0.832 18.183 19.000 0.025 0.000 0.811 128 A HN 0.850 nan 8.150 nan 0.000 0.451 129 E N -0.798 119.400 120.200 -0.002 0.000 2.118 129 E HA -0.179 4.175 4.350 0.005 0.000 0.195 129 E C 1.898 178.495 176.600 -0.004 0.000 0.992 129 E CA 1.683 58.082 56.400 -0.001 0.000 0.804 129 E CB -0.140 29.560 29.700 -0.000 0.000 0.741 129 E HN 0.574 nan 8.360 nan 0.000 0.458 130 T N 0.378 114.923 114.554 -0.016 0.000 2.777 130 T HA -0.088 4.265 4.350 0.005 0.000 0.266 130 T C 1.943 176.632 174.700 -0.017 0.000 1.040 130 T CA 1.167 63.255 62.100 -0.020 0.000 1.141 130 T CB -0.064 68.780 68.868 -0.040 0.000 0.868 130 T HN 0.032 nan 8.240 nan 0.000 0.444 131 V N 1.892 121.787 119.914 -0.031 0.000 2.407 131 V HA -0.175 3.948 4.120 0.005 0.000 0.248 131 V C 2.864 178.971 176.094 0.021 0.000 1.055 131 V CA 1.627 63.918 62.300 -0.015 0.000 1.049 131 V CB -1.301 30.517 31.823 -0.008 0.000 0.662 131 V HN 0.507 nan 8.190 nan 0.000 0.455 132 A N 0.233 123.064 122.820 0.018 0.000 1.851 132 A HA -0.264 4.059 4.320 0.005 0.000 0.216 132 A C 2.408 180.005 177.584 0.022 0.000 1.195 132 A CA 2.149 54.199 52.037 0.021 0.000 0.622 132 A CB -0.582 18.427 19.000 0.014 0.000 0.831 132 A HN 0.488 nan 8.150 nan 0.000 0.444 133 R N -0.756 119.753 120.500 0.016 0.000 2.083 133 R HA -0.150 4.194 4.340 0.005 0.000 0.237 133 R C 2.464 178.778 176.300 0.024 0.000 1.137 133 R CA 1.370 57.478 56.100 0.012 0.000 0.951 133 R CB -0.554 29.751 30.300 0.007 0.000 0.851 133 R HN 0.533 nan 8.270 nan 0.000 0.434 134 A N 0.773 123.625 122.820 0.055 0.000 2.019 134 A HA -0.180 4.143 4.320 0.005 0.000 0.219 134 A C 2.099 179.772 177.584 0.147 0.000 1.164 134 A CA 1.332 53.447 52.037 0.131 0.000 0.644 134 A CB -0.312 18.786 19.000 0.163 0.000 0.805 134 A HN 0.119 nan 8.150 nan 0.000 0.449 135 R N -0.182 120.372 120.500 0.090 0.000 2.092 135 R HA 0.103 4.447 4.340 0.005 0.000 0.231 135 R C 0.900 177.230 176.300 0.051 0.000 1.119 135 R CA 1.130 57.278 56.100 0.080 0.000 0.970 135 R CB -0.347 29.987 30.300 0.056 0.000 0.864 135 R HN 0.375 nan 8.270 nan 0.000 0.440 136 A N 0.365 123.198 122.820 0.022 0.000 2.478 136 A HA 0.536 4.860 4.320 0.005 0.000 0.327 136 A C 0.018 177.581 177.584 -0.034 0.000 1.431 136 A CA -0.322 51.715 52.037 -0.000 0.000 1.014 136 A CB 0.324 19.324 19.000 -0.000 0.000 1.143 136 A HN 0.318 nan 8.150 nan 0.000 0.532 137 G N 1.681 110.451 108.800 -0.050 0.000 2.358 137 G HA2 0.501 4.464 3.960 0.005 0.000 0.273 137 G HA3 0.501 4.464 3.960 0.005 0.000 0.273 137 G C 0.613 175.460 174.900 -0.089 0.000 1.215 137 G CA 0.406 45.435 45.100 -0.118 0.000 0.910 137 G HN 1.052 nan 8.290 nan 0.000 0.467 138 A N 2.986 125.742 122.820 -0.108 0.000 3.720 138 A HA 0.877 5.200 4.320 0.005 0.000 0.157 138 A C 1.374 178.928 177.584 -0.050 0.000 1.736 138 A CA 0.733 52.732 52.037 -0.064 0.000 1.289 138 A CB -0.436 18.531 19.000 -0.055 0.000 1.598 138 A HN 1.122 nan 8.150 nan 0.000 0.692 139 G N -1.559 107.222 108.800 -0.032 0.000 3.247 139 G HA2 0.456 4.420 3.960 0.005 0.000 0.163 139 G HA3 0.456 4.420 3.960 0.005 0.000 0.163 139 G C -1.189 173.720 174.900 0.015 0.000 1.206 139 G CA -0.201 44.899 45.100 -0.001 0.000 0.918 139 G HN 0.450 nan 8.290 nan 0.000 0.625 140 D N 0.662 121.081 120.400 0.031 0.000 2.434 140 D HA 0.416 5.059 4.640 0.005 0.000 0.252 140 D C 1.087 177.413 176.300 0.042 0.000 1.185 140 D CA 1.755 55.784 54.000 0.048 0.000 0.886 140 D CB 0.837 41.670 40.800 0.054 0.000 1.148 140 D HN 0.956 nan 8.370 nan 0.000 0.483 141 G N 2.016 110.855 108.800 0.064 0.000 2.148 141 G HA2 -0.270 3.693 3.960 0.005 0.000 0.203 141 G HA3 -0.270 3.693 3.960 0.005 0.000 0.203 141 G C 0.908 175.812 174.900 0.007 0.000 0.993 141 G CA 0.200 45.331 45.100 0.051 0.000 0.661 141 G HN 0.472 nan 8.290 nan 0.000 0.518 142 L N 0.199 121.397 121.223 -0.042 0.000 1.956 142 L HA 0.194 4.537 4.340 0.005 0.000 0.216 142 L C 2.098 178.752 176.870 -0.359 0.000 1.073 142 L CA 2.507 57.168 54.840 -0.299 0.000 0.762 142 L CB -0.821 40.900 42.059 -0.562 0.000 0.889 142 L HN 0.292 nan 8.230 nan 0.000 0.433 143 F N -0.940 119.021 119.950 0.018 0.000 2.660 143 F HA 0.146 4.676 4.527 0.005 0.000 0.297 143 F C 2.026 177.841 175.800 0.024 0.000 1.132 143 F CA -0.431 57.558 58.000 -0.018 0.000 1.372 143 F CB -0.184 38.768 39.000 -0.080 0.000 1.003 143 F HN 0.175 nan 8.300 nan 0.000 0.524 144 Q N 1.316 121.205 119.800 0.148 0.000 2.050 144 Q HA -0.113 4.230 4.340 0.005 0.000 0.202 144 Q C -0.309 175.740 176.000 0.081 0.000 0.980 144 Q CA 1.576 57.447 55.803 0.112 0.000 0.840 144 Q CB -1.623 27.162 28.738 0.077 0.000 0.898 144 Q HN 0.285 nan 8.270 nan 0.000 0.424 145 P HA -0.096 nan 4.420 nan 0.000 0.225 145 P C 1.558 178.887 177.300 0.047 0.000 1.156 145 P CA 0.635 63.761 63.100 0.042 0.000 0.787 145 P CB -0.007 31.710 31.700 0.027 0.000 0.802 146 L N 0.213 121.486 121.223 0.083 0.000 1.994 146 L HA -0.111 4.232 4.340 0.005 0.000 0.208 146 L C 2.363 179.256 176.870 0.037 0.000 1.071 146 L CA 1.653 56.532 54.840 0.065 0.000 0.745 146 L CB -1.781 40.350 42.059 0.121 0.000 0.892 146 L HN -0.146 nan 8.230 nan 0.000 0.431 147 L N -0.358 120.901 121.223 0.059 0.000 2.079 147 L HA -0.205 4.138 4.340 0.005 0.000 0.210 147 L C 2.657 179.513 176.870 -0.024 0.000 1.081 147 L CA 1.702 56.555 54.840 0.022 0.000 0.752 147 L CB -0.629 41.471 42.059 0.068 0.000 0.896 147 L HN 0.261 nan 8.230 nan 0.000 0.433 148 R N -1.043 119.457 120.500 0.000 0.000 2.115 148 R HA -0.061 4.283 4.340 0.005 0.000 0.230 148 R C 2.196 178.491 176.300 -0.008 0.000 1.111 148 R CA 1.108 57.200 56.100 -0.014 0.000 0.976 148 R CB -0.349 29.952 30.300 0.001 0.000 0.870 148 R HN 0.549 nan 8.270 nan 0.000 0.445 149 A N 0.101 122.929 122.820 0.014 0.000 1.929 149 A HA -0.057 4.266 4.320 0.005 0.000 0.216 149 A C 2.196 179.845 177.584 0.108 0.000 1.176 149 A CA 0.926 52.989 52.037 0.044 0.000 0.628 149 A CB -0.226 18.790 19.000 0.026 0.000 0.816 149 A HN 0.114 nan 8.150 nan 0.000 0.444 150 V N 0.384 120.353 119.914 0.092 0.000 2.295 150 V HA -0.248 3.876 4.120 0.005 0.000 0.246 150 V C 2.522 178.591 176.094 -0.042 0.000 1.049 150 V CA 1.904 64.289 62.300 0.141 0.000 1.024 150 V CB -0.811 31.038 31.823 0.043 0.000 0.648 150 V HN 0.557 nan 8.190 nan 0.000 0.447 151 L N 0.064 121.193 121.223 -0.157 0.000 2.141 151 L HA -0.084 4.260 4.340 0.005 0.000 0.209 151 L C 2.731 179.530 176.870 -0.117 0.000 1.094 151 L CA 1.323 56.034 54.840 -0.215 0.000 0.763 151 L CB -0.829 41.090 42.059 -0.233 0.000 0.908 151 L HN 0.368 nan 8.230 nan 0.000 0.437 152 A N -0.374 122.408 122.820 -0.062 0.000 1.972 152 A HA -0.284 4.040 4.320 0.005 0.000 0.219 152 A C 2.103 179.625 177.584 -0.103 0.000 1.169 152 A CA 1.896 53.894 52.037 -0.064 0.000 0.635 152 A CB -0.706 18.289 19.000 -0.008 0.000 0.810 152 A HN 0.508 nan 8.150 nan 0.000 0.446 153 H N -0.007 118.964 119.070 -0.165 0.000 2.299 153 H HA 0.050 4.610 4.556 0.006 0.000 0.302 153 H C 1.676 176.787 175.328 -0.362 0.000 1.078 153 H CA 1.875 57.778 56.048 -0.242 0.000 1.323 153 H CB -0.357 29.199 29.762 -0.343 0.000 1.381 153 H HN 0.329 nan 8.280 nan 0.000 0.498 154 L N -0.358 120.567 121.223 -0.496 0.000 2.191 154 L HA -0.067 4.276 4.340 0.005 0.000 0.212 154 L C 2.584 178.952 176.870 -0.837 0.000 1.103 154 L CA 1.037 55.556 54.840 -0.536 0.000 0.769 154 L CB -0.530 41.408 42.059 -0.201 0.000 0.908 154 L HN 0.492 nan 8.230 nan 0.000 0.438 155 G N -1.458 106.654 108.800 -1.146 0.000 2.679 155 G HA2 -0.092 3.871 3.960 0.005 0.000 0.212 155 G HA3 -0.092 3.871 3.960 0.005 0.000 0.212 155 G C 1.308 175.798 174.900 -0.683 0.000 1.137 155 G CA 0.079 44.196 45.100 -1.639 0.000 0.787 155 G HN 0.205 nan 8.290 nan 0.000 0.534 156 Q N 0.347 119.867 119.800 -0.467 0.000 2.986 156 Q HA 0.426 4.769 4.340 0.005 0.000 0.310 156 Q C 2.732 178.614 176.000 -0.198 0.000 1.148 156 Q CA 0.535 56.184 55.803 -0.257 0.000 0.373 156 Q CB -1.096 27.519 28.738 -0.205 0.000 5.539 156 Q HN 0.118 nan 8.270 nan 0.000 0.325 157 A N 1.653 124.364 122.820 -0.181 0.000 1.883 157 A HA -0.126 4.197 4.320 0.005 0.000 0.217 157 A C -0.542 176.984 177.584 -0.096 0.000 1.186 157 A CA 1.866 53.842 52.037 -0.103 0.000 0.624 157 A CB -1.818 17.160 19.000 -0.036 0.000 0.822 157 A HN 0.369 nan 8.150 nan 0.000 0.444 158 P HA -0.170 nan 4.420 nan 0.000 0.215 158 P C 1.445 178.776 177.300 0.051 0.000 1.153 158 P CA 1.157 64.147 63.100 -0.182 0.000 0.853 158 P CB -0.150 31.252 31.700 -0.497 0.000 0.788 159 F N 0.624 120.448 119.950 -0.210 0.000 2.146 159 F HA -0.148 4.382 4.527 0.005 0.000 0.298 159 F C 2.242 177.956 175.800 -0.144 0.000 1.096 159 F CA 1.504 59.364 58.000 -0.233 0.000 1.275 159 F CB -0.972 37.684 39.000 -0.574 0.000 1.008 159 F HN -0.194 nan 8.300 nan 0.000 0.480 160 Q N 0.786 120.400 119.800 -0.310 0.000 2.124 160 Q HA -0.173 4.170 4.340 0.005 0.000 0.202 160 Q C 2.080 177.905 176.000 -0.292 0.000 0.977 160 Q CA 2.024 57.603 55.803 -0.373 0.000 0.850 160 Q CB -0.262 28.359 28.738 -0.194 0.000 0.901 160 Q HN 0.594 nan 8.270 nan 0.000 0.429 161 E N -1.003 119.104 120.200 -0.156 0.000 2.028 161 E HA -0.172 4.181 4.350 0.005 0.000 0.191 161 E C 1.648 178.046 176.600 -0.337 0.000 0.988 161 E CA 0.965 57.321 56.400 -0.073 0.000 0.799 161 E CB -0.341 29.508 29.700 0.247 0.000 0.755 161 E HN 0.364 nan 8.360 nan 0.000 0.447 162 F N 1.913 121.320 119.950 -0.905 0.000 2.085 162 F HA -0.279 4.251 4.527 0.005 0.000 0.299 162 F C 1.855 177.370 175.800 -0.475 0.000 1.096 162 F CA 1.552 58.939 58.000 -1.023 0.000 1.227 162 F CB -0.212 38.450 39.000 -0.564 0.000 0.983 162 F HN -0.065 nan 8.300 nan 0.000 0.482 163 L N -0.488 120.353 121.223 -0.637 0.000 2.265 163 L HA -0.166 4.178 4.340 0.005 0.000 0.215 163 L C 1.223 177.799 176.870 -0.490 0.000 1.117 163 L CA 1.277 55.606 54.840 -0.852 0.000 0.782 163 L CB -0.659 40.845 42.059 -0.925 0.000 0.914 163 L HN 0.097 nan 8.230 nan 0.000 0.441 164 D N -0.513 119.702 120.400 -0.309 0.000 2.388 164 D HA 0.058 4.701 4.640 0.005 0.000 0.221 164 D C 0.696 176.977 176.300 -0.031 0.000 1.133 164 D CA 0.071 53.995 54.000 -0.128 0.000 0.831 164 D CB 0.383 41.136 40.800 -0.078 0.000 0.962 164 D HN 0.212 nan 8.370 nan 0.000 0.502 165 S N -1.493 114.166 115.700 -0.068 0.000 2.726 165 S HA 0.382 4.856 4.470 0.005 0.000 0.308 165 S C 1.241 175.887 174.600 0.076 0.000 1.115 165 S CA -0.711 57.545 58.200 0.093 0.000 0.965 165 S CB 1.133 64.481 63.200 0.247 0.000 1.145 165 S HN 0.018 nan 8.310 nan 0.000 0.532 166 L N -0.074 121.210 121.223 0.102 0.000 2.179 166 L HA 0.012 4.356 4.340 0.005 0.000 0.208 166 L C 2.089 178.937 176.870 -0.036 0.000 1.096 166 L CA 0.993 55.825 54.840 -0.014 0.000 0.779 166 L CB -0.689 41.296 42.059 -0.124 0.000 0.922 166 L HN 0.749 nan 8.230 nan 0.000 0.443 167 Y N -0.761 119.601 120.300 0.103 0.000 2.151 167 Y HA -0.347 4.206 4.550 0.006 0.000 0.284 167 Y C 2.450 178.373 175.900 0.037 0.000 1.166 167 Y CA 1.985 60.196 58.100 0.185 0.000 1.163 167 Y CB -0.673 38.020 38.460 0.388 0.000 0.974 167 Y HN 0.091 nan 8.280 nan 0.000 0.511 168 F N 0.231 119.913 119.950 -0.448 0.000 2.134 168 F HA -0.191 4.340 4.527 0.006 0.000 0.299 168 F C 1.870 177.695 175.800 0.042 0.000 1.097 168 F CA 1.293 59.016 58.000 -0.462 0.000 1.264 168 F CB -0.538 38.014 39.000 -0.747 0.000 1.001 168 F HN -0.067 nan 8.300 nan 0.000 0.479 169 L N -0.097 121.047 121.223 -0.132 0.000 2.131 169 L HA -0.197 4.146 4.340 0.005 0.000 0.210 169 L C 2.550 179.385 176.870 -0.059 0.000 1.092 169 L CA 1.380 56.130 54.840 -0.150 0.000 0.759 169 L CB -0.700 41.342 42.059 -0.027 0.000 0.903 169 L HN 0.124 nan 8.230 nan 0.000 0.435 170 R N 0.440 120.989 120.500 0.082 0.000 2.092 170 R HA -0.202 4.141 4.340 0.005 0.000 0.231 170 R C 2.171 178.697 176.300 0.376 0.000 1.119 170 R CA 1.434 57.662 56.100 0.214 0.000 0.970 170 R CB -0.763 29.738 30.300 0.334 0.000 0.864 170 R HN 0.240 nan 8.270 nan 0.000 0.440 171 F N 0.357 120.452 119.950 0.241 0.000 2.171 171 F HA -0.073 4.458 4.527 0.007 0.000 0.300 171 F C 1.457 177.358 175.800 0.168 0.000 1.090 171 F CA 1.386 59.571 58.000 0.308 0.000 1.293 171 F CB -0.079 39.100 39.000 0.299 0.000 1.013 171 F HN 0.022 nan 8.300 nan 0.000 0.486 172 L N -0.193 120.967 121.223 -0.106 0.000 2.141 172 L HA -0.197 4.147 4.340 0.005 0.000 0.209 172 L C 2.450 179.291 176.870 -0.050 0.000 1.094 172 L CA 1.155 55.890 54.840 -0.175 0.000 0.763 172 L CB -0.786 41.139 42.059 -0.225 0.000 0.908 172 L HN 0.228 nan 8.230 nan 0.000 0.437 173 Q N -0.872 118.915 119.800 -0.022 0.000 2.050 173 Q HA -0.224 4.119 4.340 0.005 0.000 0.202 173 Q C 2.124 178.169 176.000 0.075 0.000 0.980 173 Q CA 1.972 57.751 55.803 -0.039 0.000 0.840 173 Q CB -0.280 28.360 28.738 -0.162 0.000 0.898 173 Q HN 0.507 nan 8.270 nan 0.000 0.424 174 W N 1.448 122.808 121.300 0.100 0.000 2.358 174 W HA -0.154 4.510 4.660 0.006 0.000 0.303 174 W C 2.200 178.769 176.519 0.083 0.000 1.208 174 W CA 0.511 57.968 57.345 0.188 0.000 1.274 174 W CB 0.090 29.687 29.460 0.229 0.000 1.138 174 W HN -0.018 nan 8.180 nan 0.000 0.515 175 K N -0.923 119.520 120.400 0.071 0.000 2.280 175 K HA -0.202 4.122 4.320 0.005 0.000 0.202 175 K C 1.493 178.076 176.600 -0.027 0.000 1.047 175 K CA 1.250 57.477 56.287 -0.100 0.000 0.942 175 K CB -0.939 31.379 32.500 -0.304 0.000 0.739 175 K HN 0.412 nan 8.250 nan 0.000 0.457 176 W N 0.621 121.856 121.300 -0.108 0.000 2.481 176 W HA -0.066 4.595 4.660 0.002 0.000 0.293 176 W C 1.736 178.182 176.519 -0.121 0.000 1.201 176 W CA 0.295 57.573 57.345 -0.111 0.000 1.328 176 W CB -0.153 29.249 29.460 -0.095 0.000 1.112 176 W HN -0.011 nan 8.180 nan 0.000 0.546 177 L N 1.402 122.731 121.223 0.176 0.000 2.141 177 L HA -0.109 4.235 4.340 0.005 0.000 0.209 177 L C 2.349 178.973 176.870 -0.411 0.000 1.094 177 L CA 2.420 57.267 54.840 0.011 0.000 0.763 177 L CB -1.052 41.225 42.059 0.363 0.000 0.908 177 L HN 0.221 nan 8.230 nan 0.000 0.437 178 E N -0.615 119.226 120.200 -0.597 0.000 2.150 178 E HA -0.188 4.165 4.350 0.005 0.000 0.193 178 E C 1.820 177.900 176.600 -0.866 0.000 0.985 178 E CA 0.956 56.564 56.400 -1.319 0.000 0.814 178 E CB -0.038 29.142 29.700 -0.867 0.000 0.752 178 E HN 0.569 nan 8.360 nan 0.000 0.466 179 A N 0.627 123.078 122.820 -0.615 0.000 2.218 179 A HA 0.035 4.359 4.320 0.005 0.000 0.209 179 A C 0.775 178.030 177.584 -0.549 0.000 1.168 179 A CA -0.108 51.623 52.037 -0.511 0.000 0.804 179 A CB 0.113 18.868 19.000 -0.408 0.000 0.834 179 A HN 0.141 nan 8.150 nan 0.000 0.482 180 Q N 1.019 120.422 119.800 -0.663 0.000 2.394 180 Q HA 0.223 4.567 4.340 0.005 0.000 0.248 180 Q C -2.410 173.332 176.000 -0.429 0.000 0.992 180 Q CA -2.019 53.442 55.803 -0.571 0.000 0.888 180 Q CB -0.055 28.332 28.738 -0.584 0.000 1.257 180 Q HN 0.260 nan 8.270 nan 0.000 0.462 181 P HA 0.060 nan 4.420 nan 0.000 0.266 181 P C -0.755 176.277 177.300 -0.447 0.000 1.215 181 P CA 0.479 63.419 63.100 -0.266 0.000 0.763 181 P CB 0.273 31.896 31.700 -0.128 0.000 0.806 182 M N 2.989 122.224 119.600 -0.608 0.000 1.956 182 M HA 0.367 4.850 4.480 0.005 0.000 0.256 182 M C 0.546 176.498 176.300 -0.579 0.000 0.869 182 M CA -0.239 54.329 55.300 -1.220 0.000 0.886 182 M CB 2.146 33.942 32.600 -1.341 0.000 1.739 182 M HN 0.370 nan 8.290 nan 0.000 0.381 183 G N 1.070 109.611 108.800 -0.432 0.000 3.099 183 G HA2 0.302 4.266 3.960 0.005 0.000 0.151 183 G HA3 0.302 4.266 3.960 0.005 0.000 0.151 183 G C 0.606 175.040 174.900 -0.778 0.000 1.265 183 G CA -0.109 44.579 45.100 -0.687 0.000 0.981 183 G HN 0.731 nan 8.290 nan 0.000 0.601 184 E N 0.390 120.070 120.200 -0.866 0.000 2.085 184 E HA -0.194 4.159 4.350 0.005 0.000 0.194 184 E C 1.486 178.055 176.600 -0.051 0.000 0.994 184 E CA 1.859 58.019 56.400 -0.401 0.000 0.801 184 E CB -0.422 29.218 29.700 -0.099 0.000 0.743 184 E HN 0.500 nan 8.360 nan 0.000 0.453 185 D N -0.003 120.384 120.400 -0.021 0.000 2.351 185 D HA -0.185 4.459 4.640 0.005 0.000 0.216 185 D C 0.821 176.941 176.300 -0.299 0.000 0.968 185 D CA 0.518 54.502 54.000 -0.027 0.000 0.899 185 D CB -0.436 40.418 40.800 0.089 0.000 0.907 185 D HN 0.411 nan 8.370 nan 0.000 0.514 186 W N 0.189 121.179 121.300 -0.517 0.000 3.256 186 W HA 0.277 4.938 4.660 0.002 0.000 0.269 186 W C -0.121 175.758 176.519 -1.067 0.000 1.310 186 W CA -0.245 56.522 57.345 -0.962 0.000 1.673 186 W CB -0.092 28.819 29.460 -0.915 0.000 1.115 186 W HN -0.219 nan 8.180 nan 0.000 0.686 187 F N 0.351 120.210 119.950 -0.152 0.000 2.569 187 F HA 0.389 4.919 4.527 0.005 0.000 0.312 187 F C -0.662 175.120 175.800 -0.029 0.000 1.109 187 F CA -1.370 56.603 58.000 -0.045 0.000 0.919 187 F CB 1.316 40.340 39.000 0.040 0.000 1.211 187 F HN -0.527 nan 8.300 nan 0.000 0.446 188 L N 4.146 125.499 121.223 0.218 0.000 2.295 188 L HA 0.521 4.865 4.340 0.005 0.000 0.281 188 L C -0.754 176.283 176.870 0.278 0.000 1.018 188 L CA -0.361 54.581 54.840 0.169 0.000 0.841 188 L CB 0.195 42.322 42.059 0.114 0.000 1.218 188 L HN 0.406 nan 8.230 nan 0.000 0.424 189 D N 4.605 125.083 120.400 0.131 0.000 2.382 189 D HA 0.199 4.843 4.640 0.005 0.000 0.245 189 D C 0.234 176.659 176.300 0.209 0.000 1.120 189 D CA 0.607 54.636 54.000 0.048 0.000 0.890 189 D CB 0.778 41.379 40.800 -0.331 0.000 1.201 189 D HN 0.551 nan 8.370 nan 0.000 0.433 190 F N -0.649 119.372 119.950 0.117 0.000 3.051 190 F HA 0.353 4.883 4.527 0.005 0.000 0.341 190 F C -0.157 175.725 175.800 0.136 0.000 1.227 190 F CA -0.840 57.224 58.000 0.107 0.000 1.030 190 F CB 0.343 39.390 39.000 0.078 0.000 1.381 190 F HN 0.237 nan 8.300 nan 0.000 0.507 191 R N 0.879 121.322 120.500 -0.096 0.000 3.197 191 R HA 0.471 4.814 4.340 0.005 0.000 0.261 191 R C -2.253 174.032 176.300 -0.025 0.000 1.015 191 R CA -0.608 55.473 56.100 -0.032 0.000 0.949 191 R CB 1.701 31.949 30.300 -0.087 0.000 1.256 191 R HN -0.013 nan 8.270 nan 0.000 0.514 192 V N 5.637 125.519 119.914 -0.053 0.000 2.498 192 V HA 0.230 4.353 4.120 0.005 0.000 0.279 192 V C 1.110 177.094 176.094 -0.183 0.000 1.048 192 V CA -0.153 62.010 62.300 -0.230 0.000 0.967 192 V CB 1.456 33.122 31.823 -0.261 0.000 0.988 192 V HN 0.705 nan 8.190 nan 0.000 0.473 193 L N 3.860 124.956 121.223 -0.211 0.000 2.513 193 L HA 0.519 4.863 4.340 0.005 0.000 0.222 193 L C 0.979 177.771 176.870 -0.131 0.000 1.096 193 L CA 0.740 55.498 54.840 -0.137 0.000 0.857 193 L CB 0.252 42.249 42.059 -0.104 0.000 1.026 193 L HN 0.871 nan 8.230 nan 0.000 0.469 194 G N -0.214 108.484 108.800 -0.171 0.000 2.325 194 G HA2 0.252 4.216 3.960 0.005 0.000 0.297 194 G HA3 0.252 4.216 3.960 0.005 0.000 0.297 194 G C -1.947 172.857 174.900 -0.160 0.000 1.448 194 G CA -0.796 44.223 45.100 -0.134 0.000 0.838 194 G HN -0.106 nan 8.290 nan 0.000 0.579 195 R N -0.353 120.080 120.500 -0.112 0.000 2.670 195 R HA 0.755 5.099 4.340 0.005 0.000 0.289 195 R C -0.063 176.192 176.300 -0.075 0.000 0.965 195 R CA -0.099 55.937 56.100 -0.107 0.000 0.899 195 R CB 1.932 32.178 30.300 -0.089 0.000 1.173 195 R HN 1.161 nan 8.270 nan 0.000 0.456 196 G N 0.034 108.793 108.800 -0.068 0.000 2.642 196 G HA2 0.380 4.343 3.960 0.005 0.000 0.293 196 G HA3 0.380 4.343 3.960 0.005 0.000 0.293 196 G C 0.498 175.340 174.900 -0.097 0.000 1.341 196 G CA -0.371 44.697 45.100 -0.054 0.000 0.916 196 G HN 0.683 nan 8.290 nan 0.000 0.474 197 G N -0.418 108.280 108.800 -0.170 0.000 2.545 197 G HA2 -0.228 3.735 3.960 0.005 0.000 0.222 197 G HA3 -0.228 3.735 3.960 0.005 0.000 0.222 197 G C 0.940 175.468 174.900 -0.620 0.000 1.126 197 G CA 1.208 46.036 45.100 -0.452 0.000 0.754 197 G HN 0.412 nan 8.290 nan 0.000 0.583 198 F N 0.446 120.405 119.950 0.014 0.000 2.683 198 F HA 0.506 5.037 4.527 0.006 0.000 0.306 198 F C 1.119 176.930 175.800 0.019 0.000 1.102 198 F CA 0.236 58.248 58.000 0.020 0.000 1.244 198 F CB 1.277 40.294 39.000 0.028 0.000 1.029 198 F HN 0.411 nan 8.300 nan 0.000 0.545 199 G N -0.024 108.843 108.800 0.111 0.000 2.336 199 G HA2 0.158 4.121 3.960 0.005 0.000 0.300 199 G HA3 0.158 4.121 3.960 0.005 0.000 0.300 199 G C -1.497 173.408 174.900 0.009 0.000 1.375 199 G CA -1.088 44.063 45.100 0.085 0.000 0.885 199 G HN -0.014 nan 8.290 nan 0.000 0.599 200 E N -1.512 118.665 120.200 -0.038 0.000 2.312 200 E HA 0.581 4.934 4.350 0.005 0.000 0.259 200 E C -0.480 175.934 176.600 -0.309 0.000 1.122 200 E CA -0.658 55.580 56.400 -0.270 0.000 0.922 200 E CB 2.002 31.372 29.700 -0.549 0.000 1.109 200 E HN 0.292 nan 8.360 nan 0.000 0.442 201 V N 2.262 121.914 119.914 -0.438 0.000 2.487 201 V HA 0.341 4.464 4.120 0.005 0.000 0.298 201 V C -1.066 174.759 176.094 -0.448 0.000 1.028 201 V CA -0.602 61.538 62.300 -0.267 0.000 0.860 201 V CB 0.573 32.320 31.823 -0.126 0.000 0.991 201 V HN 0.445 nan 8.190 nan 0.000 0.427 202 F N 2.367 122.279 119.950 -0.063 0.000 2.480 202 F HA 0.760 5.291 4.527 0.007 0.000 0.329 202 F C 0.668 176.376 175.800 -0.153 0.000 1.091 202 F CA -0.814 57.119 58.000 -0.112 0.000 0.972 202 F CB 1.591 40.537 39.000 -0.091 0.000 1.150 202 F HN 0.538 nan 8.300 nan 0.000 0.467 203 A N 2.032 124.781 122.820 -0.118 0.000 2.450 203 A HA 0.540 4.863 4.320 0.005 0.000 0.255 203 A C -0.193 177.119 177.584 -0.453 0.000 1.096 203 A CA -0.304 51.560 52.037 -0.288 0.000 0.778 203 A CB -0.511 18.198 19.000 -0.485 0.000 1.031 203 A HN 1.060 nan 8.150 nan 0.000 0.494 204 C N 1.342 120.636 119.300 -0.009 0.000 3.171 204 C HA 0.838 5.301 4.460 0.005 0.000 0.308 204 C C -0.755 174.573 174.990 0.564 0.000 1.334 204 C CA -0.749 58.444 59.018 0.291 0.000 1.473 204 C CB 0.961 28.854 27.740 0.255 0.000 1.866 204 C HN 0.995 nan 8.230 nan 0.000 0.465 205 Q N 1.675 121.816 119.800 0.568 0.000 2.337 205 Q HA 0.493 4.837 4.340 0.005 0.000 0.266 205 Q C -0.820 175.397 176.000 0.361 0.000 1.023 205 Q CA -0.631 55.416 55.803 0.408 0.000 0.829 205 Q CB 1.621 30.484 28.738 0.209 0.000 1.306 205 Q HN 0.898 nan 8.270 nan 0.000 0.449 206 M N 4.508 124.317 119.600 0.348 0.000 2.156 206 M HA 0.124 4.607 4.480 0.005 0.000 0.345 206 M C -0.019 176.267 176.300 -0.023 0.000 1.398 206 M CA 0.649 56.000 55.300 0.086 0.000 1.148 206 M CB 0.499 33.289 32.600 0.316 0.000 1.663 206 M HN 0.792 nan 8.290 nan 0.000 0.464 207 K N 3.426 123.694 120.400 -0.221 0.000 2.063 207 K HA -0.151 4.172 4.320 0.005 0.000 0.208 207 K C 1.768 178.325 176.600 -0.071 0.000 1.048 207 K CA 1.835 57.996 56.287 -0.210 0.000 0.928 207 K CB -0.071 32.110 32.500 -0.531 0.000 0.713 207 K HN 0.835 nan 8.250 nan 0.000 0.442 208 A N 0.914 123.725 122.820 -0.015 0.000 1.865 208 A HA -0.212 4.111 4.320 0.005 0.000 0.217 208 A C 2.314 179.965 177.584 0.112 0.000 1.191 208 A CA 2.574 54.675 52.037 0.108 0.000 0.623 208 A CB -1.084 18.102 19.000 0.310 0.000 0.826 208 A HN 0.513 nan 8.150 nan 0.000 0.444 209 T N -5.224 109.410 114.554 0.133 0.000 3.040 209 T HA 0.397 4.750 4.350 0.005 0.000 0.252 209 T C 1.489 176.232 174.700 0.072 0.000 1.064 209 T CA 1.186 63.352 62.100 0.111 0.000 1.110 209 T CB 0.105 69.052 68.868 0.133 0.000 0.921 209 T HN 1.868 nan 8.240 nan 0.000 0.480 210 G N 1.634 110.476 108.800 0.070 0.000 2.148 210 G HA2 -0.290 3.674 3.960 0.005 0.000 0.254 210 G HA3 -0.290 3.674 3.960 0.005 0.000 0.254 210 G C -0.032 174.897 174.900 0.049 0.000 0.981 210 G CA 0.396 45.523 45.100 0.044 0.000 0.670 210 G HN 0.894 nan 8.290 nan 0.000 0.528 211 K N 0.396 120.837 120.400 0.068 0.000 2.382 211 K HA 0.497 4.820 4.320 0.005 0.000 0.275 211 K C 0.676 177.265 176.600 -0.018 0.000 1.009 211 K CA -0.532 55.744 56.287 -0.019 0.000 0.970 211 K CB 0.142 32.592 32.500 -0.084 0.000 0.934 211 K HN 0.211 nan 8.250 nan 0.000 0.479 212 L N 5.396 126.567 121.223 -0.086 0.000 2.276 212 L HA 0.297 4.640 4.340 0.005 0.000 0.286 212 L C -0.565 176.236 176.870 -0.115 0.000 1.061 212 L CA -0.473 54.390 54.840 0.039 0.000 0.807 212 L CB 0.365 42.491 42.059 0.112 0.000 1.177 212 L HN 0.705 nan 8.230 nan 0.000 0.429 213 Y N 1.002 121.433 120.300 0.218 0.000 2.698 213 Y HA 0.682 5.235 4.550 0.006 0.000 0.332 213 Y C 0.096 176.055 175.900 0.098 0.000 1.119 213 Y CA -1.022 57.175 58.100 0.163 0.000 1.109 213 Y CB 1.979 40.559 38.460 0.199 0.000 1.308 213 Y HN 0.517 nan 8.280 nan 0.000 0.499 214 A N 0.506 123.489 122.820 0.272 0.000 2.303 214 A HA 0.554 4.877 4.320 0.005 0.000 0.320 214 A C -1.427 176.205 177.584 0.081 0.000 1.192 214 A CA -0.496 51.620 52.037 0.130 0.000 0.821 214 A CB 0.481 19.532 19.000 0.085 0.000 1.188 214 A HN 0.775 nan 8.150 nan 0.000 0.492 215 C N 3.826 123.170 119.300 0.073 0.000 2.271 215 C HA 0.610 5.073 4.460 0.005 0.000 0.323 215 C C 0.118 175.154 174.990 0.076 0.000 1.245 215 C CA -0.704 58.323 59.018 0.015 0.000 1.548 215 C CB -0.437 27.303 27.740 -0.000 0.000 2.214 215 C HN 0.863 nan 8.230 nan 0.000 0.477 216 K N 4.873 125.279 120.400 0.009 0.000 2.234 216 K HA 0.438 4.761 4.320 0.005 0.000 0.277 216 K C -0.507 176.116 176.600 0.037 0.000 1.038 216 K CA -0.234 56.074 56.287 0.034 0.000 0.888 216 K CB 0.468 32.983 32.500 0.025 0.000 1.091 216 K HN 0.591 nan 8.250 nan 0.000 0.467 217 K N 3.735 124.193 120.400 0.096 0.000 2.156 217 K HA 0.390 4.713 4.320 0.005 0.000 0.271 217 K C -0.783 175.867 176.600 0.083 0.000 0.995 217 K CA -0.335 56.006 56.287 0.089 0.000 0.890 217 K CB 1.170 33.782 32.500 0.188 0.000 1.073 217 K HN 0.470 nan 8.250 nan 0.000 0.454 218 L N 3.229 124.469 121.223 0.027 0.000 2.401 218 L HA 0.323 4.667 4.340 0.005 0.000 0.263 218 L C -0.054 176.810 176.870 -0.011 0.000 1.004 218 L CA -0.917 53.945 54.840 0.037 0.000 0.881 218 L CB 1.058 43.065 42.059 -0.087 0.000 1.219 218 L HN 0.682 nan 8.230 nan 0.000 0.441 219 N N 2.866 121.614 118.700 0.079 0.000 2.217 219 N HA -0.118 4.626 4.740 0.005 0.000 0.268 219 N C 0.760 176.296 175.510 0.044 0.000 1.290 219 N CA 0.645 53.739 53.050 0.072 0.000 0.831 219 N CB 1.035 39.602 38.487 0.134 0.000 1.057 219 N HN 0.598 nan 8.380 nan 0.000 0.481 220 K N 3.579 123.980 120.400 0.003 0.000 2.057 220 K HA -0.111 4.212 4.320 0.005 0.000 0.206 220 K C 1.747 178.560 176.600 0.356 0.000 1.050 220 K CA 1.386 57.682 56.287 0.015 0.000 0.935 220 K CB 0.148 32.486 32.500 -0.270 0.000 0.715 220 K HN 0.548 nan 8.250 nan 0.000 0.439 221 K N 0.343 120.960 120.400 0.362 0.000 2.001 221 K HA -0.094 4.229 4.320 0.005 0.000 0.208 221 K C 2.157 178.873 176.600 0.193 0.000 1.048 221 K CA 1.306 57.769 56.287 0.292 0.000 0.932 221 K CB -0.066 32.516 32.500 0.136 0.000 0.715 221 K HN 0.062 nan 8.250 nan 0.000 0.437 222 R N 0.930 121.541 120.500 0.185 0.000 2.096 222 R HA -0.141 4.202 4.340 0.005 0.000 0.240 222 R C 2.427 178.849 176.300 0.203 0.000 1.139 222 R CA 1.293 57.530 56.100 0.227 0.000 0.952 222 R CB -0.642 29.860 30.300 0.336 0.000 0.854 222 R HN 0.207 nan 8.270 nan 0.000 0.436 223 L N 1.120 122.367 121.223 0.039 0.000 2.051 223 L HA -0.286 4.057 4.340 0.005 0.000 0.214 223 L C 2.697 179.458 176.870 -0.182 0.000 1.076 223 L CA 1.738 56.414 54.840 -0.273 0.000 0.758 223 L CB -0.347 41.628 42.059 -0.139 0.000 0.890 223 L HN 0.274 nan 8.230 nan 0.000 0.433 224 K N 0.079 120.474 120.400 -0.010 0.000 2.001 224 K HA -0.237 4.086 4.320 0.005 0.000 0.208 224 K C 2.197 178.701 176.600 -0.160 0.000 1.048 224 K CA 1.393 57.559 56.287 -0.203 0.000 0.932 224 K CB -0.014 32.563 32.500 0.128 0.000 0.715 224 K HN 0.113 nan 8.250 nan 0.000 0.437 225 K N 0.412 120.798 120.400 -0.023 0.000 2.113 225 K HA -0.137 4.186 4.320 0.005 0.000 0.208 225 K C 1.536 178.128 176.600 -0.014 0.000 1.047 225 K CA 1.443 57.723 56.287 -0.012 0.000 0.928 225 K CB 0.102 32.620 32.500 0.030 0.000 0.716 225 K HN 0.093 nan 8.250 nan 0.000 0.446 226 R N 0.321 120.837 120.500 0.026 0.000 2.466 226 R HA 0.077 4.420 4.340 0.005 0.000 0.279 226 R C -0.434 175.864 176.300 -0.005 0.000 0.976 226 R CA -0.061 56.078 56.100 0.066 0.000 1.081 226 R CB 0.619 31.064 30.300 0.242 0.000 1.215 226 R HN 0.021 nan 8.270 nan 0.000 0.546 227 K N -0.308 120.003 120.400 -0.149 0.000 3.077 227 K HA -0.154 4.169 4.320 0.005 0.000 0.264 227 K C 0.532 177.025 176.600 -0.178 0.000 1.008 227 K CA 0.947 57.100 56.287 -0.223 0.000 0.740 227 K CB -2.171 30.256 32.500 -0.122 0.000 1.273 227 K HN 0.552 nan 8.250 nan 0.000 0.477 228 G N -0.992 107.674 108.800 -0.225 0.000 3.434 228 G HA2 0.103 4.067 3.960 0.005 0.000 0.258 228 G HA3 0.103 4.067 3.960 0.005 0.000 0.258 228 G C 1.147 176.004 174.900 -0.071 0.000 1.128 228 G CA -0.363 44.665 45.100 -0.120 0.000 0.792 228 G HN 0.443 nan 8.290 nan 0.000 0.539 229 Y N 1.203 121.328 120.300 -0.293 0.000 2.145 229 Y HA -0.285 4.268 4.550 0.006 0.000 0.286 229 Y C 3.225 179.089 175.900 -0.059 0.000 1.145 229 Y CA 1.179 59.008 58.100 -0.452 0.000 1.148 229 Y CB 0.125 37.969 38.460 -1.026 0.000 0.981 229 Y HN 0.304 nan 8.280 nan 0.000 0.507 230 Q N 0.250 120.133 119.800 0.137 0.000 2.061 230 Q HA -0.145 4.198 4.340 0.005 0.000 0.204 230 Q C 2.377 178.486 176.000 0.182 0.000 0.984 230 Q CA 1.620 57.523 55.803 0.166 0.000 0.846 230 Q CB -1.440 27.361 28.738 0.105 0.000 0.902 230 Q HN 0.466 nan 8.270 nan 0.000 0.421 231 G N 1.419 110.310 108.800 0.151 0.000 2.421 231 G HA2 -0.155 3.809 3.960 0.005 0.000 0.216 231 G HA3 -0.155 3.809 3.960 0.005 0.000 0.216 231 G C 1.712 176.729 174.900 0.195 0.000 1.171 231 G CA 1.734 46.930 45.100 0.160 0.000 0.775 231 G HN 0.573 nan 8.290 nan 0.000 0.543 232 A N 0.122 123.068 122.820 0.211 0.000 1.940 232 A HA -0.043 4.280 4.320 0.005 0.000 0.219 232 A C 2.329 180.161 177.584 0.414 0.000 1.176 232 A CA 2.390 54.584 52.037 0.262 0.000 0.631 232 A CB -0.344 18.752 19.000 0.160 0.000 0.814 232 A HN 0.435 nan 8.150 nan 0.000 0.446 233 M N -0.425 119.430 119.600 0.425 0.000 2.160 233 M HA -0.012 4.471 4.480 0.005 0.000 0.264 233 M C 1.856 178.267 176.300 0.184 0.000 1.073 233 M CA 1.624 57.142 55.300 0.363 0.000 1.142 233 M CB -0.513 32.322 32.600 0.391 0.000 1.358 233 M HN 0.075 nan 8.290 nan 0.000 0.422 234 V N 0.678 120.695 119.914 0.171 0.000 2.380 234 V HA -0.307 3.816 4.120 0.005 0.000 0.251 234 V C 2.408 178.552 176.094 0.083 0.000 1.063 234 V CA 2.369 64.736 62.300 0.112 0.000 1.055 234 V CB -1.081 30.813 31.823 0.119 0.000 0.657 234 V HN 0.640 nan 8.190 nan 0.000 0.455 235 E N 0.091 120.357 120.200 0.111 0.000 2.046 235 E HA -0.229 4.124 4.350 0.005 0.000 0.190 235 E C 2.414 179.020 176.600 0.011 0.000 0.982 235 E CA 1.103 57.548 56.400 0.076 0.000 0.800 235 E CB -0.119 29.651 29.700 0.117 0.000 0.756 235 E HN 0.484 nan 8.360 nan 0.000 0.449 236 K N 0.918 121.317 120.400 -0.002 0.000 2.032 236 K HA -0.197 4.126 4.320 0.005 0.000 0.209 236 K C 2.041 178.533 176.600 -0.179 0.000 1.048 236 K CA 1.500 57.677 56.287 -0.184 0.000 0.927 236 K CB 0.004 32.186 32.500 -0.529 0.000 0.712 236 K HN 0.019 nan 8.250 nan 0.000 0.441 237 K N 0.369 120.697 120.400 -0.120 0.000 2.057 237 K HA -0.085 4.238 4.320 0.005 0.000 0.207 237 K C 2.157 178.702 176.600 -0.090 0.000 1.049 237 K CA 1.095 57.320 56.287 -0.102 0.000 0.931 237 K CB -0.076 32.390 32.500 -0.056 0.000 0.714 237 K HN 0.148 nan 8.250 nan 0.000 0.440 238 I N 1.418 121.948 120.570 -0.065 0.000 2.179 238 I HA -0.245 3.928 4.170 0.005 0.000 0.242 238 I C 2.223 178.266 176.117 -0.124 0.000 1.088 238 I CA 1.500 62.754 61.300 -0.076 0.000 1.357 238 I CB -0.947 37.025 38.000 -0.047 0.000 1.051 238 I HN 0.194 nan 8.210 nan 0.000 0.409 239 L N 0.368 121.520 121.223 -0.117 0.000 2.275 239 L HA -0.118 4.226 4.340 0.005 0.000 0.215 239 L C 2.640 179.412 176.870 -0.164 0.000 1.119 239 L CA 0.897 55.657 54.840 -0.133 0.000 0.790 239 L CB -0.550 41.448 42.059 -0.101 0.000 0.919 239 L HN 0.199 nan 8.230 nan 0.000 0.443 240 A N 1.063 123.783 122.820 -0.166 0.000 1.878 240 A HA -0.130 4.193 4.320 0.005 0.000 0.213 240 A C 2.190 179.662 177.584 -0.186 0.000 1.192 240 A CA 1.007 52.952 52.037 -0.153 0.000 0.619 240 A CB -0.159 18.751 19.000 -0.150 0.000 0.837 240 A HN 0.430 nan 8.150 nan 0.000 0.446 241 K N -0.703 119.571 120.400 -0.210 0.000 2.444 241 K HA 0.280 4.604 4.320 0.005 0.000 0.193 241 K C -0.526 175.791 176.600 -0.471 0.000 1.024 241 K CA 0.186 56.338 56.287 -0.226 0.000 1.077 241 K CB 0.108 32.544 32.500 -0.107 0.000 0.833 241 K HN 0.150 nan 8.250 nan 0.000 0.517 242 V N 2.479 122.029 119.914 -0.606 0.000 2.495 242 V HA 0.212 4.336 4.120 0.005 0.000 0.298 242 V C -1.386 174.254 176.094 -0.756 0.000 1.031 242 V CA -0.877 61.076 62.300 -0.579 0.000 0.871 242 V CB 1.322 32.978 31.823 -0.278 0.000 0.988 242 V HN 0.351 nan 8.190 nan 0.000 0.432 243 H N 2.113 121.107 119.070 -0.128 0.000 2.854 243 H HA 0.622 5.181 4.556 0.005 0.000 0.275 243 H C -0.277 174.914 175.328 -0.228 0.000 1.198 243 H CA -0.145 55.816 56.048 -0.145 0.000 1.489 243 H CB 1.387 31.079 29.762 -0.116 0.000 1.519 243 H HN 0.544 nan 8.280 nan 0.000 0.503 244 S N 1.495 117.090 115.700 -0.175 0.000 2.548 244 S HA 0.278 4.752 4.470 0.005 0.000 0.286 244 S C 0.964 175.423 174.600 -0.234 0.000 1.098 244 S CA -1.123 56.907 58.200 -0.282 0.000 0.930 244 S CB 1.127 64.156 63.200 -0.286 0.000 1.070 244 S HN 0.858 nan 8.310 nan 0.000 0.480 245 R N 1.594 121.860 120.500 -0.391 0.000 2.339 245 R HA 0.163 4.507 4.340 0.005 0.000 0.199 245 R C -0.048 175.861 176.300 -0.652 0.000 1.018 245 R CA 1.200 56.976 56.100 -0.540 0.000 1.036 245 R CB -0.486 29.413 30.300 -0.668 0.000 0.899 245 R HN 0.527 nan 8.270 nan 0.000 0.473 246 F N 0.280 120.234 119.950 0.006 0.000 2.706 246 F HA 0.395 4.926 4.527 0.006 0.000 0.308 246 F C 0.273 176.058 175.800 -0.024 0.000 1.095 246 F CA -0.876 57.132 58.000 0.013 0.000 1.244 246 F CB 0.505 39.535 39.000 0.049 0.000 1.063 246 F HN -0.114 nan 8.300 nan 0.000 0.582 247 I N 1.742 122.346 120.570 0.057 0.000 2.437 247 I HA 0.269 4.442 4.170 0.005 0.000 0.298 247 I C 0.352 176.448 176.117 -0.034 0.000 0.984 247 I CA -1.650 59.635 61.300 -0.024 0.000 1.214 247 I CB 1.160 39.110 38.000 -0.083 0.000 1.365 247 I HN -0.231 nan 8.210 nan 0.000 0.469 248 V N 2.510 122.407 119.914 -0.028 0.000 2.872 248 V HA 0.328 4.451 4.120 0.005 0.000 0.307 248 V C 0.488 176.567 176.094 -0.025 0.000 1.072 248 V CA -0.276 62.019 62.300 -0.010 0.000 1.148 248 V CB 0.936 32.763 31.823 0.006 0.000 0.954 248 V HN 0.824 nan 8.190 nan 0.000 0.490 249 S N 3.267 118.969 115.700 0.003 0.000 2.454 249 S HA 0.615 5.088 4.470 0.005 0.000 0.306 249 S C -0.725 173.877 174.600 0.004 0.000 1.100 249 S CA -0.697 57.501 58.200 -0.002 0.000 1.087 249 S CB 1.105 64.320 63.200 0.026 0.000 1.019 249 S HN 0.913 nan 8.310 nan 0.000 0.480 250 L N 5.452 126.649 121.223 -0.043 0.000 2.319 250 L HA 0.615 4.959 4.340 0.005 0.000 0.280 250 L C 0.767 177.577 176.870 -0.099 0.000 1.099 250 L CA 0.462 55.255 54.840 -0.079 0.000 0.828 250 L CB 0.792 42.778 42.059 -0.122 0.000 1.150 250 L HN 0.817 nan 8.230 nan 0.000 0.442 251 A N 4.368 127.094 122.820 -0.157 0.000 1.963 251 A HA 0.284 4.607 4.320 0.005 0.000 0.207 251 A C -0.260 177.008 177.584 -0.526 0.000 1.243 251 A CA 0.549 52.393 52.037 -0.322 0.000 0.728 251 A CB 0.005 18.757 19.000 -0.414 0.000 0.895 251 A HN 0.628 nan 8.150 nan 0.000 0.467 252 Y N -2.084 118.107 120.300 -0.182 0.000 2.562 252 Y HA 0.651 5.205 4.550 0.005 0.000 0.345 252 Y C -0.221 175.548 175.900 -0.218 0.000 1.045 252 Y CA -0.826 57.205 58.100 -0.115 0.000 1.028 252 Y CB 1.986 40.462 38.460 0.026 0.000 1.297 252 Y HN 0.195 nan 8.280 nan 0.000 0.463 253 A N 2.918 125.730 122.820 -0.013 0.000 2.530 253 A HA 0.756 5.079 4.320 0.005 0.000 0.279 253 A C -1.481 176.075 177.584 -0.046 0.000 1.109 253 A CA -0.520 51.389 52.037 -0.213 0.000 0.763 253 A CB -0.104 18.673 19.000 -0.372 0.000 1.257 253 A HN 0.668 nan 8.150 nan 0.000 0.424 254 F N 0.500 120.444 119.950 -0.010 0.000 2.849 254 F HA 0.917 5.448 4.527 0.007 0.000 0.341 254 F C -0.281 175.541 175.800 0.037 0.000 1.185 254 F CA -1.043 56.963 58.000 0.011 0.000 1.007 254 F CB 0.959 39.960 39.000 0.002 0.000 1.454 254 F HN 0.546 nan 8.300 nan 0.000 0.518 255 E N -0.179 120.259 120.200 0.396 0.000 2.317 255 E HA 0.629 4.983 4.350 0.005 0.000 0.270 255 E C -1.373 175.344 176.600 0.195 0.000 0.885 255 E CA -0.941 55.557 56.400 0.164 0.000 0.760 255 E CB 2.393 32.096 29.700 0.005 0.000 1.227 255 E HN 0.854 nan 8.360 nan 0.000 0.434 256 T N -0.491 114.115 114.554 0.086 0.000 2.841 256 T HA 0.354 4.707 4.350 0.005 0.000 0.276 256 T C 0.843 175.542 174.700 -0.002 0.000 1.003 256 T CA -0.770 61.371 62.100 0.067 0.000 0.995 256 T CB 1.304 70.225 68.868 0.088 0.000 1.260 256 T HN 0.378 nan 8.240 nan 0.000 0.581 257 K N 0.403 120.815 120.400 0.020 0.000 2.074 257 K HA -0.069 4.254 4.320 0.005 0.000 0.209 257 K C 2.290 178.898 176.600 0.014 0.000 1.048 257 K CA 2.494 58.796 56.287 0.026 0.000 0.926 257 K CB -0.738 31.791 32.500 0.047 0.000 0.713 257 K HN 0.855 nan 8.250 nan 0.000 0.444 258 T N -2.321 112.239 114.554 0.009 0.000 3.023 258 T HA 0.159 4.512 4.350 0.005 0.000 0.249 258 T C 0.135 174.809 174.700 -0.044 0.000 1.050 258 T CA -0.204 61.908 62.100 0.019 0.000 1.088 258 T CB 0.299 69.195 68.868 0.048 0.000 0.946 258 T HN -0.080 nan 8.240 nan 0.000 0.480 259 D N 0.900 121.252 120.400 -0.080 0.000 2.527 259 D HA 0.497 5.140 4.640 0.005 0.000 0.233 259 D C -0.670 175.502 176.300 -0.214 0.000 1.063 259 D CA -0.649 53.280 54.000 -0.118 0.000 0.880 259 D CB 2.454 43.238 40.800 -0.027 0.000 1.457 259 D HN 0.151 nan 8.370 nan 0.000 0.475 260 L N 0.431 121.479 121.223 -0.291 0.000 2.399 260 L HA 0.485 4.828 4.340 0.005 0.000 0.266 260 L C -0.220 176.549 176.870 -0.167 0.000 1.114 260 L CA -0.551 54.115 54.840 -0.289 0.000 0.804 260 L CB 1.167 42.833 42.059 -0.655 0.000 1.146 260 L HN 0.292 nan 8.230 nan 0.000 0.451 261 C N 2.843 122.023 119.300 -0.200 0.000 2.626 261 C HA 0.600 5.063 4.460 0.005 0.000 0.310 261 C C -0.234 174.516 174.990 -0.399 0.000 1.191 261 C CA -0.742 58.021 59.018 -0.424 0.000 1.517 261 C CB 1.643 28.785 27.740 -0.997 0.000 2.102 261 C HN 0.577 nan 8.230 nan 0.000 0.479 262 L N 3.266 124.328 121.223 -0.269 0.000 2.372 262 L HA 0.529 4.872 4.340 0.005 0.000 0.273 262 L C -0.704 176.027 176.870 -0.232 0.000 0.989 262 L CA -0.424 54.283 54.840 -0.221 0.000 0.841 262 L CB 1.409 43.424 42.059 -0.073 0.000 1.225 262 L HN 0.396 nan 8.230 nan 0.000 0.414 263 V N 5.245 124.989 119.914 -0.285 0.000 2.383 263 V HA 0.519 4.642 4.120 0.005 0.000 0.275 263 V C 0.263 176.261 176.094 -0.161 0.000 1.036 263 V CA -0.252 61.887 62.300 -0.267 0.000 0.889 263 V CB 1.286 32.838 31.823 -0.451 0.000 0.985 263 V HN 0.833 nan 8.190 nan 0.000 0.459 264 M N 2.154 121.740 119.600 -0.024 0.000 2.683 264 M HA 0.604 5.087 4.480 0.005 0.000 0.274 264 M C -0.254 176.202 176.300 0.260 0.000 1.272 264 M CA -0.722 54.618 55.300 0.067 0.000 0.833 264 M CB 1.870 34.483 32.600 0.021 0.000 1.708 264 M HN 0.300 nan 8.290 nan 0.000 0.463 265 T N 2.117 116.810 114.554 0.232 0.000 2.830 265 T HA 0.073 4.427 4.350 0.005 0.000 0.282 265 T C -0.124 174.669 174.700 0.156 0.000 1.024 265 T CA 0.318 62.539 62.100 0.202 0.000 1.144 265 T CB -0.359 68.570 68.868 0.101 0.000 1.035 265 T HN 0.542 nan 8.240 nan 0.000 0.507 266 I N 3.946 124.595 120.570 0.132 0.000 2.395 266 I HA 0.294 4.468 4.170 0.005 0.000 0.289 266 I C -0.182 175.971 176.117 0.061 0.000 1.023 266 I CA -0.579 60.776 61.300 0.092 0.000 1.350 266 I CB 0.427 38.478 38.000 0.085 0.000 1.409 266 I HN 0.482 nan 8.210 nan 0.000 0.507 267 M N 7.763 127.394 119.600 0.050 0.000 1.999 267 M HA 0.227 4.710 4.480 0.005 0.000 0.299 267 M C 0.013 176.337 176.300 0.039 0.000 0.900 267 M CA -0.114 55.213 55.300 0.046 0.000 0.904 267 M CB 0.708 33.334 32.600 0.045 0.000 1.477 267 M HN 0.626 nan 8.290 nan 0.000 0.403 268 N N 1.259 119.986 118.700 0.046 0.000 2.299 268 N HA 0.078 4.821 4.740 0.005 0.000 0.187 268 N C 1.072 176.612 175.510 0.049 0.000 1.099 268 N CA 0.295 53.368 53.050 0.039 0.000 0.867 268 N CB 0.810 39.325 38.487 0.047 0.000 0.974 268 N HN 0.839 nan 8.380 nan 0.000 0.477 269 G N -0.018 108.832 108.800 0.083 0.000 3.448 269 G HA2 0.395 4.359 3.960 0.005 0.000 0.261 269 G HA3 0.395 4.359 3.960 0.005 0.000 0.261 269 G C 0.585 175.615 174.900 0.217 0.000 1.173 269 G CA 0.242 45.436 45.100 0.156 0.000 0.835 269 G HN 0.385 nan 8.290 nan 0.000 0.534 270 G N 0.708 109.549 108.800 0.070 0.000 2.846 270 G HA2 0.035 3.999 3.960 0.005 0.000 0.660 270 G HA3 0.035 3.999 3.960 0.005 0.000 0.660 270 G C -0.329 174.660 174.900 0.147 0.000 1.464 270 G CA -0.143 44.960 45.100 0.005 0.000 0.891 270 G HN 0.780 nan 8.290 nan 0.000 0.552 271 D N -0.721 119.762 120.400 0.140 0.000 2.387 271 D HA 0.574 5.217 4.640 0.005 0.000 0.255 271 D C 1.764 178.219 176.300 0.259 0.000 1.081 271 D CA -0.999 53.096 54.000 0.159 0.000 0.994 271 D CB 0.515 41.379 40.800 0.106 0.000 1.127 271 D HN 0.245 nan 8.370 nan 0.000 0.513 272 I N 0.076 120.744 120.570 0.163 0.000 2.264 272 I HA -0.231 3.942 4.170 0.005 0.000 0.248 272 I C 2.337 178.592 176.117 0.230 0.000 1.111 272 I CA 1.457 62.881 61.300 0.207 0.000 1.382 272 I CB -1.060 37.011 38.000 0.119 0.000 1.060 272 I HN 0.612 nan 8.210 nan 0.000 0.418 273 R N 1.003 121.611 120.500 0.179 0.000 2.075 273 R HA -0.238 4.105 4.340 0.005 0.000 0.232 273 R C 2.501 178.927 176.300 0.211 0.000 1.126 273 R CA 1.602 57.810 56.100 0.179 0.000 0.963 273 R CB -1.585 28.835 30.300 0.200 0.000 0.858 273 R HN 0.313 nan 8.270 nan 0.000 0.435 274 Y N 0.955 121.314 120.300 0.098 0.000 2.114 274 Y HA -0.314 4.239 4.550 0.006 0.000 0.282 274 Y C 2.085 177.979 175.900 -0.011 0.000 1.165 274 Y CA 2.350 60.465 58.100 0.026 0.000 1.148 274 Y CB -0.332 38.086 38.460 -0.070 0.000 0.972 274 Y HN 0.254 nan 8.280 nan 0.000 0.504 275 H N -0.255 118.973 119.070 0.263 0.000 2.491 275 H HA -0.087 4.472 4.556 0.005 0.000 0.290 275 H C 2.334 177.724 175.328 0.103 0.000 1.050 275 H CA 1.714 57.886 56.048 0.207 0.000 1.309 275 H CB -0.042 29.873 29.762 0.255 0.000 1.392 275 H HN 0.458 nan 8.280 nan 0.000 0.554 276 I N -0.394 120.131 120.570 -0.076 0.000 2.233 276 I HA -0.278 3.896 4.170 0.005 0.000 0.243 276 I C 1.589 177.382 176.117 -0.541 0.000 1.093 276 I CA 1.429 62.360 61.300 -0.615 0.000 1.380 276 I CB -0.149 37.262 38.000 -0.983 0.000 1.067 276 I HN 0.153 nan 8.210 nan 0.000 0.413 277 Y N -0.883 119.312 120.300 -0.174 0.000 2.522 277 Y HA 0.118 4.671 4.550 0.005 0.000 0.277 277 Y C 1.939 177.703 175.900 -0.226 0.000 1.104 277 Y CA 0.307 58.305 58.100 -0.170 0.000 1.260 277 Y CB -0.083 38.294 38.460 -0.139 0.000 1.151 277 Y HN 0.060 nan 8.280 nan 0.000 0.539 278 N N -0.920 117.614 118.700 -0.277 0.000 2.325 278 N HA 0.013 4.756 4.740 0.005 0.000 0.182 278 N C 1.272 176.541 175.510 -0.401 0.000 1.088 278 N CA 0.182 52.943 53.050 -0.482 0.000 0.879 278 N CB 0.502 38.375 38.487 -1.024 0.000 0.983 278 N HN -0.006 nan 8.380 nan 0.000 0.471 279 V N 0.230 119.980 119.914 -0.274 0.000 2.341 279 V HA -0.043 4.080 4.120 0.005 0.000 0.240 279 V C 0.816 176.918 176.094 0.012 0.000 1.035 279 V CA 1.224 63.496 62.300 -0.048 0.000 1.033 279 V CB 0.030 31.913 31.823 0.100 0.000 0.678 279 V HN 0.218 nan 8.190 nan 0.000 0.464 280 D N -0.133 120.276 120.400 0.014 0.000 2.889 280 D HA 0.111 4.754 4.640 0.005 0.000 0.243 280 D C 1.297 177.600 176.300 0.004 0.000 1.270 280 D CA 0.004 54.020 54.000 0.026 0.000 0.838 280 D CB 0.342 41.167 40.800 0.042 0.000 1.040 280 D HN 0.442 nan 8.370 nan 0.000 0.480 281 E N 0.188 120.384 120.200 -0.006 0.000 2.330 281 E HA -0.290 4.064 4.350 0.005 0.000 0.239 281 E C 0.665 177.271 176.600 0.010 0.000 1.097 281 E CA 2.041 58.440 56.400 -0.002 0.000 1.031 281 E CB 0.081 29.779 29.700 -0.004 0.000 0.885 281 E HN 0.365 nan 8.360 nan 0.000 0.479 282 D N -0.905 119.501 120.400 0.009 0.000 2.333 282 D HA 0.006 4.649 4.640 0.005 0.000 0.208 282 D C 0.072 176.375 176.300 0.005 0.000 0.984 282 D CA 0.385 54.391 54.000 0.009 0.000 0.873 282 D CB 0.258 41.063 40.800 0.009 0.000 0.935 282 D HN -0.015 nan 8.370 nan 0.000 0.521 283 N N 0.795 119.496 118.700 0.002 0.000 2.818 283 N HA 0.224 4.967 4.740 0.005 0.000 0.301 283 N C -2.695 172.800 175.510 -0.026 0.000 1.821 283 N CA -1.311 51.734 53.050 -0.008 0.000 0.930 283 N CB 1.039 39.525 38.487 -0.001 0.000 1.263 283 N HN -0.025 nan 8.380 nan 0.000 0.487 284 P HA 0.396 nan 4.420 nan 0.000 0.271 284 P C 0.395 177.585 177.300 -0.183 0.000 1.216 284 P CA 0.240 63.275 63.100 -0.108 0.000 0.771 284 P CB 0.924 32.592 31.700 -0.055 0.000 0.864 285 G N 1.413 110.051 108.800 -0.270 0.000 2.353 285 G HA2 0.103 4.067 3.960 0.005 0.000 0.424 285 G HA3 0.103 4.067 3.960 0.005 0.000 0.424 285 G C -1.693 173.150 174.900 -0.095 0.000 1.320 285 G CA -0.956 43.941 45.100 -0.337 0.000 0.995 285 G HN 0.321 nan 8.290 nan 0.000 0.580 286 F N 0.755 120.621 119.950 -0.140 0.000 2.495 286 F HA 0.437 4.967 4.527 0.005 0.000 0.327 286 F C 0.791 176.518 175.800 -0.123 0.000 1.103 286 F CA -1.246 56.689 58.000 -0.108 0.000 0.949 286 F CB 2.008 40.967 39.000 -0.068 0.000 1.142 286 F HN 0.219 nan 8.300 nan 0.000 0.457 287 Q N 2.891 122.747 119.800 0.093 0.000 2.330 287 Q HA -0.031 4.313 4.340 0.005 0.000 0.279 287 Q C 1.150 177.142 176.000 -0.013 0.000 1.024 287 Q CA 0.351 56.154 55.803 0.000 0.000 0.900 287 Q CB 0.835 29.559 28.738 -0.023 0.000 1.221 287 Q HN 0.764 nan 8.270 nan 0.000 0.396 288 E N 3.203 123.380 120.200 -0.040 0.000 2.113 288 E HA -0.251 4.102 4.350 0.005 0.000 0.210 288 E C -0.884 175.694 176.600 -0.036 0.000 1.040 288 E CA 1.861 58.238 56.400 -0.038 0.000 0.847 288 E CB -0.969 28.703 29.700 -0.046 0.000 0.755 288 E HN 0.534 nan 8.360 nan 0.000 0.459 289 P HA -0.193 nan 4.420 nan 0.000 0.214 289 P C 1.448 178.679 177.300 -0.115 0.000 1.163 289 P CA 1.458 64.516 63.100 -0.070 0.000 0.889 289 P CB -0.210 31.439 31.700 -0.085 0.000 0.790 290 R N -0.130 120.250 120.500 -0.200 0.000 2.080 290 R HA -0.170 4.174 4.340 0.005 0.000 0.236 290 R C 2.146 178.188 176.300 -0.429 0.000 1.137 290 R CA 2.025 57.872 56.100 -0.422 0.000 0.943 290 R CB -1.037 28.957 30.300 -0.511 0.000 0.846 290 R HN 0.067 nan 8.270 nan 0.000 0.431 291 A N 0.906 123.661 122.820 -0.109 0.000 1.940 291 A HA -0.161 4.163 4.320 0.005 0.000 0.219 291 A C 2.169 179.831 177.584 0.130 0.000 1.176 291 A CA 1.536 53.662 52.037 0.149 0.000 0.631 291 A CB -0.496 18.638 19.000 0.224 0.000 0.814 291 A HN 0.408 nan 8.150 nan 0.000 0.446 292 I N -2.198 118.409 120.570 0.063 0.000 2.252 292 I HA -0.191 3.982 4.170 0.005 0.000 0.245 292 I C 2.308 178.494 176.117 0.116 0.000 1.102 292 I CA 1.342 62.706 61.300 0.107 0.000 1.385 292 I CB -0.361 37.671 38.000 0.053 0.000 1.064 292 I HN 0.438 nan 8.210 nan 0.000 0.414 293 F N 1.496 121.362 119.950 -0.141 0.000 2.065 293 F HA -0.343 4.187 4.527 0.005 0.000 0.298 293 F C 2.406 178.178 175.800 -0.046 0.000 1.112 293 F CA 1.889 59.781 58.000 -0.181 0.000 1.212 293 F CB -0.518 38.293 39.000 -0.315 0.000 0.975 293 F HN -0.010 nan 8.300 nan 0.000 0.476 294 Y N 0.744 121.129 120.300 0.142 0.000 2.128 294 Y HA -0.218 4.335 4.550 0.006 0.000 0.284 294 Y C 2.784 178.700 175.900 0.028 0.000 1.154 294 Y CA 1.547 59.688 58.100 0.068 0.000 1.149 294 Y CB -1.788 36.771 38.460 0.165 0.000 0.976 294 Y HN 0.048 nan 8.280 nan 0.000 0.505 295 T N 0.335 115.060 114.554 0.284 0.000 2.653 295 T HA -0.294 4.059 4.350 0.005 0.000 0.268 295 T C 2.227 177.030 174.700 0.172 0.000 1.035 295 T CA 1.802 64.080 62.100 0.296 0.000 1.154 295 T CB -0.805 68.307 68.868 0.407 0.000 0.862 295 T HN 0.444 nan 8.240 nan 0.000 0.441 296 A N 1.421 124.250 122.820 0.015 0.000 1.858 296 A HA -0.195 4.128 4.320 0.005 0.000 0.216 296 A C 2.349 179.745 177.584 -0.313 0.000 1.190 296 A CA 1.716 53.599 52.037 -0.257 0.000 0.617 296 A CB -0.744 17.872 19.000 -0.641 0.000 0.827 296 A HN 0.577 nan 8.150 nan 0.000 0.443 297 Q N -0.606 118.929 119.800 -0.441 0.000 2.061 297 Q HA -0.166 4.177 4.340 0.005 0.000 0.204 297 Q C 2.137 177.835 176.000 -0.502 0.000 0.984 297 Q CA 1.698 57.103 55.803 -0.663 0.000 0.846 297 Q CB -0.393 28.127 28.738 -0.363 0.000 0.902 297 Q HN 0.742 nan 8.270 nan 0.000 0.421 298 I N 0.135 120.616 120.570 -0.148 0.000 2.163 298 I HA -0.283 3.890 4.170 0.005 0.000 0.243 298 I C 2.311 178.399 176.117 -0.048 0.000 1.085 298 I CA 0.872 62.154 61.300 -0.031 0.000 1.347 298 I CB -0.342 37.716 38.000 0.096 0.000 1.044 298 I HN 0.036 nan 8.210 nan 0.000 0.408 299 V N 0.237 120.150 119.914 -0.002 0.000 2.380 299 V HA -0.323 3.801 4.120 0.005 0.000 0.251 299 V C 2.490 178.528 176.094 -0.093 0.000 1.063 299 V CA 2.300 64.627 62.300 0.046 0.000 1.055 299 V CB -0.504 31.383 31.823 0.107 0.000 0.657 299 V HN 0.413 nan 8.190 nan 0.000 0.455 300 S N 0.097 115.649 115.700 -0.247 0.000 2.387 300 S HA -0.068 4.405 4.470 0.005 0.000 0.226 300 S C 2.079 176.591 174.600 -0.146 0.000 1.026 300 S CA 1.071 59.090 58.200 -0.301 0.000 0.972 300 S CB -0.516 62.341 63.200 -0.571 0.000 0.814 300 S HN 0.697 nan 8.310 nan 0.000 0.477 301 G N 2.019 110.765 108.800 -0.091 0.000 2.440 301 G HA2 -0.171 3.792 3.960 0.005 0.000 0.218 301 G HA3 -0.171 3.792 3.960 0.005 0.000 0.218 301 G C 1.314 176.139 174.900 -0.125 0.000 1.154 301 G CA 0.721 45.843 45.100 0.037 0.000 0.767 301 G HN 0.428 nan 8.290 nan 0.000 0.552 302 L N -0.139 120.951 121.223 -0.222 0.000 2.027 302 L HA -0.013 4.330 4.340 0.005 0.000 0.206 302 L C 2.744 179.206 176.870 -0.680 0.000 1.074 302 L CA 1.419 55.950 54.840 -0.514 0.000 0.745 302 L CB -0.533 41.257 42.059 -0.449 0.000 0.898 302 L HN 0.318 nan 8.230 nan 0.000 0.433 303 E N -0.413 119.580 120.200 -0.345 0.000 2.097 303 E HA -0.275 4.078 4.350 0.005 0.000 0.196 303 E C 2.198 178.617 176.600 -0.302 0.000 1.000 303 E CA 1.435 57.690 56.400 -0.242 0.000 0.804 303 E CB 0.057 29.659 29.700 -0.164 0.000 0.740 303 E HN 0.507 nan 8.360 nan 0.000 0.454 304 H N 0.342 119.327 119.070 -0.142 0.000 2.293 304 H HA -0.118 4.441 4.556 0.006 0.000 0.300 304 H C 2.440 177.658 175.328 -0.184 0.000 1.082 304 H CA 1.358 57.342 56.048 -0.106 0.000 1.308 304 H CB -0.453 29.282 29.762 -0.045 0.000 1.375 304 H HN 0.238 nan 8.280 nan 0.000 0.495 305 L N -0.000 121.127 121.223 -0.160 0.000 2.012 305 L HA -0.236 4.107 4.340 0.005 0.000 0.210 305 L C 2.485 179.232 176.870 -0.205 0.000 1.073 305 L CA 1.585 56.313 54.840 -0.187 0.000 0.748 305 L CB -0.628 41.288 42.059 -0.238 0.000 0.891 305 L HN 0.421 nan 8.230 nan 0.000 0.431 306 H N -1.287 117.490 119.070 -0.489 0.000 2.428 306 H HA -0.128 4.431 4.556 0.005 0.000 0.296 306 H C 2.263 177.076 175.328 -0.858 0.000 1.062 306 H CA 0.594 55.950 56.048 -1.152 0.000 1.350 306 H CB 0.115 28.604 29.762 -2.122 0.000 1.403 306 H HN 0.398 nan 8.280 nan 0.000 0.533 307 Q N 0.434 120.047 119.800 -0.312 0.000 2.291 307 Q HA -0.062 4.281 4.340 0.005 0.000 0.206 307 Q C 1.147 177.156 176.000 0.014 0.000 0.976 307 Q CA 0.730 56.525 55.803 -0.013 0.000 0.875 307 Q CB 0.357 29.149 28.738 0.090 0.000 0.927 307 Q HN 0.338 nan 8.270 nan 0.000 0.450 308 R N 0.603 121.095 120.500 -0.012 0.000 2.466 308 R HA 0.133 4.476 4.340 0.005 0.000 0.279 308 R C -0.270 176.076 176.300 0.076 0.000 0.976 308 R CA -0.126 55.993 56.100 0.032 0.000 1.081 308 R CB -0.079 30.228 30.300 0.011 0.000 1.215 308 R HN 0.246 nan 8.270 nan 0.000 0.546 309 N N 1.252 120.021 118.700 0.115 0.000 2.727 309 N HA -0.196 4.547 4.740 0.005 0.000 0.249 309 N C -0.569 175.128 175.510 0.312 0.000 1.048 309 N CA 0.912 54.152 53.050 0.317 0.000 0.714 309 N CB -1.074 37.562 38.487 0.249 0.000 0.959 309 N HN 0.362 nan 8.380 nan 0.000 0.544 310 I N 0.967 121.709 120.570 0.286 0.000 2.412 310 I HA 0.410 4.584 4.170 0.005 0.000 0.296 310 I C 0.717 177.083 176.117 0.415 0.000 0.987 310 I CA -0.717 60.733 61.300 0.251 0.000 1.180 310 I CB 1.523 39.591 38.000 0.113 0.000 1.340 310 I HN -0.086 nan 8.210 nan 0.000 0.455 311 I N 5.564 126.328 120.570 0.324 0.000 2.339 311 I HA 0.112 4.285 4.170 0.005 0.000 0.290 311 I C 0.490 176.799 176.117 0.320 0.000 0.994 311 I CA -0.571 60.941 61.300 0.353 0.000 1.191 311 I CB 1.453 39.590 38.000 0.228 0.000 1.343 311 I HN 0.618 nan 8.210 nan 0.000 0.458 312 Y N 6.643 127.039 120.300 0.161 0.000 2.089 312 Y HA -0.188 4.365 4.550 0.005 0.000 0.282 312 Y C 1.839 177.775 175.900 0.059 0.000 1.139 312 Y CA 1.432 59.578 58.100 0.077 0.000 1.123 312 Y CB -0.092 38.389 38.460 0.035 0.000 0.980 312 Y HN 0.633 nan 8.280 nan 0.000 0.493 313 R N -0.785 119.766 120.500 0.086 0.000 3.922 313 R HA -0.225 4.119 4.340 0.005 0.000 0.447 313 R C -0.274 175.865 176.300 -0.268 0.000 1.035 313 R CA 1.244 57.298 56.100 -0.075 0.000 1.289 313 R CB -1.597 28.714 30.300 0.018 0.000 1.906 313 R HN 0.375 nan 8.270 nan 0.000 0.540 314 D N -0.321 119.676 120.400 -0.671 0.000 2.822 314 D HA 0.120 4.763 4.640 0.005 0.000 0.327 314 D C -0.924 174.731 176.300 -1.075 0.000 1.577 314 D CA -0.394 53.191 54.000 -0.693 0.000 0.785 314 D CB 0.385 40.960 40.800 -0.374 0.000 1.199 314 D HN 0.091 nan 8.370 nan 0.000 0.443 315 L N 2.102 122.664 121.223 -1.101 0.000 2.410 315 L HA 0.394 4.737 4.340 0.005 0.000 0.273 315 L C -0.272 176.304 176.870 -0.490 0.000 1.152 315 L CA 0.679 55.131 54.840 -0.647 0.000 0.855 315 L CB 0.049 41.991 42.059 -0.196 0.000 1.129 315 L HN 0.169 nan 8.230 nan 0.000 0.463 316 K N 2.490 122.669 120.400 -0.369 0.000 2.660 316 K HA 0.378 4.701 4.320 0.005 0.000 0.285 316 K C -2.856 173.639 176.600 -0.176 0.000 0.997 316 K CA -1.366 54.610 56.287 -0.518 0.000 0.861 316 K CB 0.510 32.352 32.500 -1.095 0.000 1.469 316 K HN 0.083 nan 8.250 nan 0.000 0.395 317 P HA -0.281 nan 4.420 nan 0.000 0.216 317 P C 0.674 178.000 177.300 0.045 0.000 1.154 317 P CA 1.676 64.807 63.100 0.052 0.000 0.865 317 P CB 0.058 31.828 31.700 0.116 0.000 0.789 318 E N -1.544 118.663 120.200 0.012 0.000 2.418 318 E HA -0.092 4.261 4.350 0.005 0.000 0.197 318 E C 0.911 177.525 176.600 0.024 0.000 1.026 318 E CA 0.845 57.265 56.400 0.034 0.000 0.862 318 E CB -0.932 28.782 29.700 0.023 0.000 0.799 318 E HN 0.305 nan 8.360 nan 0.000 0.518 319 N N 0.384 119.089 118.700 0.008 0.000 2.254 319 N HA 0.078 4.822 4.740 0.005 0.000 0.190 319 N C -0.486 175.073 175.510 0.082 0.000 1.107 319 N CA 0.068 53.148 53.050 0.050 0.000 0.869 319 N CB 1.173 39.697 38.487 0.063 0.000 0.983 319 N HN -0.061 nan 8.380 nan 0.000 0.487 320 V N 2.736 122.687 119.914 0.062 0.000 2.364 320 V HA 0.351 4.474 4.120 0.005 0.000 0.272 320 V C 0.107 176.218 176.094 0.029 0.000 1.036 320 V CA -0.549 61.783 62.300 0.052 0.000 0.880 320 V CB 1.088 32.936 31.823 0.041 0.000 0.991 320 V HN 0.009 nan 8.190 nan 0.000 0.460 321 L N 5.511 126.754 121.223 0.032 0.000 2.344 321 L HA 0.614 4.958 4.340 0.005 0.000 0.272 321 L C -0.399 176.483 176.870 0.020 0.000 1.035 321 L CA -0.677 54.183 54.840 0.033 0.000 0.807 321 L CB 1.536 43.620 42.059 0.040 0.000 1.237 321 L HN 0.343 nan 8.230 nan 0.000 0.442 322 L N 1.610 122.854 121.223 0.034 0.000 2.295 322 L HA 0.327 4.670 4.340 0.005 0.000 0.285 322 L C -0.409 176.505 176.870 0.074 0.000 1.035 322 L CA -0.765 54.103 54.840 0.045 0.000 0.806 322 L CB 1.724 43.809 42.059 0.043 0.000 1.214 322 L HN 0.674 nan 8.230 nan 0.000 0.426 323 D N 0.304 120.753 120.400 0.081 0.000 2.478 323 D HA 0.062 4.705 4.640 0.005 0.000 0.269 323 D C 0.413 176.760 176.300 0.078 0.000 1.232 323 D CA -0.502 53.541 54.000 0.071 0.000 1.059 323 D CB 0.662 41.498 40.800 0.059 0.000 1.104 323 D HN 0.441 nan 8.370 nan 0.000 0.566 324 D N -1.063 119.374 120.400 0.061 0.000 2.228 324 D HA -0.130 4.513 4.640 0.005 0.000 0.203 324 D C 0.784 177.113 176.300 0.048 0.000 0.988 324 D CA 1.246 55.278 54.000 0.055 0.000 0.864 324 D CB -0.028 40.795 40.800 0.039 0.000 0.928 324 D HN 0.377 nan 8.370 nan 0.000 0.469 325 D N -1.172 119.259 120.400 0.053 0.000 2.333 325 D HA 0.124 4.767 4.640 0.005 0.000 0.208 325 D C 1.643 177.983 176.300 0.066 0.000 0.984 325 D CA 0.943 54.968 54.000 0.042 0.000 0.873 325 D CB 0.614 41.442 40.800 0.046 0.000 0.935 325 D HN 0.313 nan 8.370 nan 0.000 0.521 326 G N 0.981 109.851 108.800 0.117 0.000 2.148 326 G HA2 -0.215 3.748 3.960 0.005 0.000 0.203 326 G HA3 -0.215 3.748 3.960 0.005 0.000 0.203 326 G C 0.153 175.217 174.900 0.273 0.000 0.993 326 G CA -0.484 44.727 45.100 0.185 0.000 0.661 326 G HN 0.137 nan 8.290 nan 0.000 0.518 327 N N -0.558 118.284 118.700 0.237 0.000 2.463 327 N HA 0.605 5.348 4.740 0.005 0.000 0.270 327 N C -0.321 175.320 175.510 0.218 0.000 1.205 327 N CA -0.165 53.066 53.050 0.303 0.000 0.974 327 N CB 2.062 40.692 38.487 0.238 0.000 1.197 327 N HN 0.118 nan 8.380 nan 0.000 0.504 328 V N 1.264 121.325 119.914 0.245 0.000 2.656 328 V HA 0.477 4.601 4.120 0.005 0.000 0.307 328 V C -0.480 175.730 176.094 0.193 0.000 1.051 328 V CA -0.577 61.814 62.300 0.151 0.000 0.893 328 V CB 1.787 33.660 31.823 0.084 0.000 0.999 328 V HN 0.569 nan 8.190 nan 0.000 0.426 329 R N 4.304 124.875 120.500 0.118 0.000 2.744 329 R HA 0.610 4.953 4.340 0.005 0.000 0.279 329 R C -0.574 175.769 176.300 0.072 0.000 0.977 329 R CA -0.781 55.390 56.100 0.119 0.000 0.906 329 R CB 2.496 32.837 30.300 0.069 0.000 1.197 329 R HN 0.823 nan 8.270 nan 0.000 0.463 330 I N -0.254 120.345 120.570 0.049 0.000 2.720 330 I HA 0.490 4.663 4.170 0.005 0.000 0.287 330 I C -0.122 175.973 176.117 -0.036 0.000 1.090 330 I CA 0.158 61.460 61.300 0.004 0.000 1.384 330 I CB 1.412 39.358 38.000 -0.090 0.000 1.420 330 I HN 0.720 nan 8.210 nan 0.000 0.575 331 S N 2.673 118.380 115.700 0.013 0.000 2.656 331 S HA 0.440 4.913 4.470 0.005 0.000 0.273 331 S C -0.806 173.851 174.600 0.094 0.000 1.168 331 S CA -0.662 57.550 58.200 0.019 0.000 0.817 331 S CB 1.544 64.767 63.200 0.038 0.000 1.146 331 S HN 1.043 nan 8.310 nan 0.000 0.475 332 D N -0.486 119.965 120.400 0.086 0.000 4.669 332 D HA -0.110 4.533 4.640 0.005 0.000 0.240 332 D C -0.917 175.504 176.300 0.202 0.000 1.111 332 D CA 0.365 54.442 54.000 0.129 0.000 1.179 332 D CB -1.047 39.827 40.800 0.123 0.000 0.750 332 D HN 0.622 nan 8.370 nan 0.000 0.360 333 L N 2.570 123.885 121.223 0.152 0.000 3.358 333 L HA 0.367 4.710 4.340 0.005 0.000 0.301 333 L C 2.245 179.210 176.870 0.159 0.000 1.276 333 L CA 0.398 55.342 54.840 0.173 0.000 1.028 333 L CB 0.884 42.980 42.059 0.062 0.000 1.421 333 L HN 0.483 nan 8.230 nan 0.000 0.604 334 G N -0.113 108.780 108.800 0.155 0.000 2.479 334 G HA2 -0.171 3.792 3.960 0.005 0.000 0.220 334 G HA3 -0.171 3.792 3.960 0.005 0.000 0.220 334 G C 1.265 176.249 174.900 0.140 0.000 1.115 334 G CA 0.689 45.880 45.100 0.152 0.000 0.757 334 G HN 0.348 nan 8.290 nan 0.000 0.560 335 L N 0.389 121.694 121.223 0.137 0.000 2.607 335 L HA 0.378 4.721 4.340 0.005 0.000 0.228 335 L C 1.803 178.754 176.870 0.134 0.000 1.123 335 L CA -0.424 54.484 54.840 0.113 0.000 0.890 335 L CB 0.011 42.108 42.059 0.064 0.000 1.103 335 L HN 0.208 nan 8.230 nan 0.000 0.468 336 A N 0.348 123.270 122.820 0.170 0.000 2.429 336 A HA 0.367 4.691 4.320 0.005 0.000 0.242 336 A C -0.332 177.335 177.584 0.139 0.000 1.088 336 A CA 0.131 52.277 52.037 0.182 0.000 0.784 336 A CB 0.797 19.899 19.000 0.170 0.000 1.038 336 A HN -0.012 nan 8.150 nan 0.000 0.501 337 V N 0.597 120.594 119.914 0.137 0.000 2.841 337 V HA 0.474 4.597 4.120 0.005 0.000 0.310 337 V C -0.901 175.251 176.094 0.097 0.000 1.090 337 V CA -0.676 61.685 62.300 0.103 0.000 0.930 337 V CB 2.025 33.899 31.823 0.086 0.000 1.014 337 V HN 0.983 nan 8.190 nan 0.000 0.425 338 E N 6.355 126.599 120.200 0.074 0.000 2.146 338 E HA 0.422 4.776 4.350 0.005 0.000 0.282 338 E C -0.905 175.726 176.600 0.053 0.000 0.989 338 E CA -0.530 55.913 56.400 0.071 0.000 0.799 338 E CB 1.838 31.571 29.700 0.055 0.000 1.088 338 E HN 0.580 nan 8.360 nan 0.000 0.397 339 L N 3.823 125.082 121.223 0.061 0.000 2.433 339 L HA 0.097 4.440 4.340 0.005 0.000 0.275 339 L C 0.398 177.290 176.870 0.038 0.000 1.128 339 L CA -0.294 54.562 54.840 0.027 0.000 0.875 339 L CB -0.117 41.952 42.059 0.017 0.000 1.171 339 L HN 0.308 nan 8.230 nan 0.000 0.463 340 K N 2.771 123.183 120.400 0.020 0.000 2.518 340 K HA 0.108 4.431 4.320 0.005 0.000 0.276 340 K C 0.346 176.963 176.600 0.028 0.000 0.974 340 K CA 0.039 56.339 56.287 0.022 0.000 0.986 340 K CB 0.349 32.856 32.500 0.012 0.000 0.901 340 K HN 0.664 nan 8.250 nan 0.000 0.497 341 A N 1.965 124.804 122.820 0.032 0.000 2.567 341 A HA 0.366 4.690 4.320 0.005 0.000 0.240 341 A C 1.497 179.099 177.584 0.031 0.000 1.053 341 A CA 0.768 52.828 52.037 0.038 0.000 0.755 341 A CB -0.872 18.148 19.000 0.034 0.000 0.978 341 A HN 0.947 nan 8.150 nan 0.000 0.507 342 G N 0.669 109.492 108.800 0.038 0.000 2.284 342 G HA2 -0.285 3.679 3.960 0.005 0.000 0.247 342 G HA3 -0.285 3.679 3.960 0.005 0.000 0.247 342 G C 0.506 175.419 174.900 0.021 0.000 1.012 342 G CA 0.607 45.725 45.100 0.030 0.000 0.618 342 G HN 1.223 nan 8.290 nan 0.000 0.521 343 Q N 1.195 121.003 119.800 0.014 0.000 2.304 343 Q HA 0.519 4.862 4.340 0.005 0.000 0.260 343 Q C 1.528 177.517 176.000 -0.018 0.000 0.965 343 Q CA 0.758 56.554 55.803 -0.011 0.000 0.898 343 Q CB 0.673 29.397 28.738 -0.024 0.000 1.196 343 Q HN 0.499 nan 8.270 nan 0.000 0.402 344 T N 0.395 114.922 114.554 -0.045 0.000 2.969 344 T HA 0.325 4.679 4.350 0.005 0.000 0.250 344 T C 0.186 174.787 174.700 -0.165 0.000 1.021 344 T CA -0.064 61.998 62.100 -0.064 0.000 1.003 344 T CB 0.527 69.384 68.868 -0.018 0.000 1.040 344 T HN 0.426 nan 8.240 nan 0.000 0.492 345 K N 0.133 120.433 120.400 -0.166 0.000 2.480 345 K HA 0.706 5.029 4.320 0.005 0.000 0.258 345 K C -1.347 175.090 176.600 -0.272 0.000 0.990 345 K CA -0.687 55.459 56.287 -0.235 0.000 0.857 345 K CB 2.563 34.958 32.500 -0.176 0.000 1.384 345 K HN 0.024 nan 8.250 nan 0.000 0.446 346 T N 0.210 114.501 114.554 -0.438 0.000 2.816 346 T HA 0.485 4.839 4.350 0.005 0.000 0.299 346 T C -1.726 172.561 174.700 -0.688 0.000 1.230 346 T CA -0.734 61.089 62.100 -0.461 0.000 1.007 346 T CB 1.287 69.917 68.868 -0.395 0.000 1.289 346 T HN 0.466 nan 8.240 nan 0.000 0.508 347 K N 0.313 120.470 120.400 -0.405 0.000 2.400 347 K HA 0.777 5.101 4.320 0.005 0.000 0.246 347 K C -0.722 175.859 176.600 -0.033 0.000 0.995 347 K CA -1.108 55.036 56.287 -0.239 0.000 0.840 347 K CB 2.151 34.598 32.500 -0.089 0.000 1.293 347 K HN 1.028 nan 8.250 nan 0.000 0.445 348 G N 1.108 110.007 108.800 0.166 0.000 2.760 348 G HA2 -0.090 3.873 3.960 0.005 0.000 0.540 348 G HA3 -0.090 3.873 3.960 0.005 0.000 0.540 348 G C -1.980 173.079 174.900 0.265 0.000 1.476 348 G CA -1.045 44.173 45.100 0.198 0.000 0.949 348 G HN 0.523 nan 8.290 nan 0.000 0.633 349 Y N 1.864 122.217 120.300 0.088 0.000 2.496 349 Y HA 0.508 5.061 4.550 0.005 0.000 0.334 349 Y C 0.439 176.361 175.900 0.037 0.000 1.080 349 Y CA 1.121 59.247 58.100 0.042 0.000 1.355 349 Y CB 0.675 39.145 38.460 0.016 0.000 1.193 349 Y HN 1.401 nan 8.280 nan 0.000 0.523 350 A N 4.428 127.124 122.820 -0.207 0.000 2.547 350 A HA 0.723 5.047 4.320 0.005 0.000 0.298 350 A C -0.406 177.042 177.584 -0.225 0.000 1.062 350 A CA 0.054 52.030 52.037 -0.101 0.000 0.748 350 A CB 0.753 19.769 19.000 0.027 0.000 1.288 350 A HN 1.577 nan 8.150 nan 0.000 0.396 351 G N -0.178 108.531 108.800 -0.151 0.000 2.340 351 G HA2 0.516 4.479 3.960 0.005 0.000 0.282 351 G HA3 0.516 4.479 3.960 0.005 0.000 0.282 351 G C -0.713 174.139 174.900 -0.079 0.000 1.312 351 G CA -0.010 45.008 45.100 -0.137 0.000 0.942 351 G HN 1.270 nan 8.290 nan 0.000 0.495 352 T N 2.905 117.438 114.554 -0.035 0.000 2.767 352 T HA 0.607 4.960 4.350 0.005 0.000 0.284 352 T C -2.548 172.235 174.700 0.137 0.000 0.973 352 T CA -0.741 61.393 62.100 0.057 0.000 0.996 352 T CB 1.724 70.621 68.868 0.049 0.000 0.927 352 T HN 0.370 nan 8.240 nan 0.000 0.456 353 P HA 0.191 nan 4.420 nan 0.000 0.260 353 P C 1.010 178.367 177.300 0.095 0.000 1.185 353 P CA 1.037 64.181 63.100 0.072 0.000 0.763 353 P CB 0.151 31.893 31.700 0.070 0.000 0.776 354 G N 1.677 110.478 108.800 0.002 0.000 2.179 354 G HA2 -0.279 3.684 3.960 0.005 0.000 0.220 354 G HA3 -0.279 3.684 3.960 0.005 0.000 0.220 354 G C 0.422 175.128 174.900 -0.324 0.000 0.990 354 G CA -0.298 44.731 45.100 -0.119 0.000 0.646 354 G HN 0.467 nan 8.290 nan 0.000 0.517 355 F N 0.135 120.130 119.950 0.076 0.000 2.876 355 F HA 0.508 5.039 4.527 0.006 0.000 0.344 355 F C 1.517 177.384 175.800 0.111 0.000 1.029 355 F CA -0.337 57.728 58.000 0.107 0.000 1.154 355 F CB 0.292 39.303 39.000 0.019 0.000 1.040 355 F HN 0.036 nan 8.300 nan 0.000 0.576 356 M N 1.367 121.031 119.600 0.107 0.000 2.228 356 M HA 0.372 4.856 4.480 0.005 0.000 0.351 356 M C 0.334 176.510 176.300 -0.206 0.000 1.233 356 M CA -0.273 54.968 55.300 -0.098 0.000 1.129 356 M CB 0.699 33.141 32.600 -0.264 0.000 1.604 356 M HN 0.082 nan 8.290 nan 0.000 0.457 357 A N 4.903 127.506 122.820 -0.361 0.000 2.322 357 A HA 0.462 4.786 4.320 0.005 0.000 0.269 357 A C -1.796 175.404 177.584 -0.640 0.000 1.094 357 A CA -1.564 49.959 52.037 -0.858 0.000 0.807 357 A CB -0.057 18.565 19.000 -0.629 0.000 1.047 357 A HN 0.604 nan 8.150 nan 0.000 0.487 358 P HA -0.268 nan 4.420 nan 0.000 0.218 358 P C 0.858 178.008 177.300 -0.249 0.000 1.165 358 P CA 2.224 65.088 63.100 -0.393 0.000 0.922 358 P CB 0.035 31.532 31.700 -0.339 0.000 0.794 359 E N -0.678 119.396 120.200 -0.210 0.000 2.130 359 E HA -0.192 4.162 4.350 0.005 0.000 0.196 359 E C 2.056 178.612 176.600 -0.074 0.000 0.998 359 E CA 0.943 57.287 56.400 -0.094 0.000 0.806 359 E CB -1.312 28.372 29.700 -0.026 0.000 0.738 359 E HN 0.241 nan 8.360 nan 0.000 0.459 360 L N 0.058 121.154 121.223 -0.212 0.000 2.072 360 L HA -0.085 4.258 4.340 0.005 0.000 0.205 360 L C 2.040 178.835 176.870 -0.124 0.000 1.079 360 L CA 1.117 55.802 54.840 -0.259 0.000 0.752 360 L CB -0.025 41.692 42.059 -0.570 0.000 0.906 360 L HN 0.140 nan 8.230 nan 0.000 0.436 361 L N -0.583 120.546 121.223 -0.157 0.000 2.056 361 L HA -0.211 4.133 4.340 0.005 0.000 0.207 361 L C 2.184 179.046 176.870 -0.013 0.000 1.078 361 L CA 1.033 55.833 54.840 -0.067 0.000 0.749 361 L CB -0.484 41.502 42.059 -0.123 0.000 0.901 361 L HN 0.275 nan 8.230 nan 0.000 0.433 362 L N 0.257 121.455 121.223 -0.041 0.000 2.675 362 L HA 0.015 4.359 4.340 0.005 0.000 0.238 362 L C 1.487 178.365 176.870 0.014 0.000 1.155 362 L CA 0.517 55.346 54.840 -0.019 0.000 0.881 362 L CB -0.982 41.057 42.059 -0.033 0.000 1.008 362 L HN 0.546 nan 8.230 nan 0.000 0.443 363 G N 0.009 108.836 108.800 0.044 0.000 2.166 363 G HA2 -0.292 3.672 3.960 0.005 0.000 0.260 363 G HA3 -0.292 3.672 3.960 0.005 0.000 0.260 363 G C 0.261 175.201 174.900 0.066 0.000 0.986 363 G CA 0.289 45.431 45.100 0.070 0.000 0.683 363 G HN 0.488 nan 8.290 nan 0.000 0.527 364 E N 0.453 120.692 120.200 0.066 0.000 2.405 364 E HA 0.429 4.782 4.350 0.005 0.000 0.253 364 E C 0.729 177.381 176.600 0.087 0.000 1.257 364 E CA -0.015 56.419 56.400 0.057 0.000 0.960 364 E CB 0.322 30.046 29.700 0.039 0.000 1.077 364 E HN 0.700 nan 8.360 nan 0.000 0.512 365 E N 0.635 120.842 120.200 0.012 0.000 2.249 365 E HA 0.292 4.646 4.350 0.005 0.000 0.280 365 E C -1.099 175.466 176.600 -0.057 0.000 1.016 365 E CA -0.587 55.753 56.400 -0.100 0.000 0.830 365 E CB 0.588 30.208 29.700 -0.132 0.000 1.081 365 E HN 0.413 nan 8.360 nan 0.000 0.395 366 Y N 0.029 120.283 120.300 -0.077 0.000 2.633 366 Y HA 0.653 5.206 4.550 0.005 0.000 0.339 366 Y C -0.513 175.297 175.900 -0.150 0.000 1.045 366 Y CA -1.463 56.581 58.100 -0.093 0.000 1.098 366 Y CB 1.037 39.446 38.460 -0.084 0.000 1.296 366 Y HN 0.400 nan 8.280 nan 0.000 0.494 367 D N -0.282 120.155 120.400 0.061 0.000 2.589 367 D HA 0.319 4.962 4.640 0.005 0.000 0.268 367 D C 0.585 176.761 176.300 -0.205 0.000 1.182 367 D CA -0.850 53.049 54.000 -0.169 0.000 1.087 367 D CB 0.590 41.377 40.800 -0.023 0.000 1.186 367 D HN 0.557 nan 8.370 nan 0.000 0.620 368 F N 0.207 120.135 119.950 -0.037 0.000 2.451 368 F HA -0.099 4.431 4.527 0.005 0.000 0.299 368 F C 2.490 178.265 175.800 -0.042 0.000 1.101 368 F CA 0.619 58.443 58.000 -0.293 0.000 1.436 368 F CB -0.432 38.020 39.000 -0.913 0.000 1.074 368 F HN 0.149 nan 8.300 nan 0.000 0.553 369 S N -0.003 115.862 115.700 0.274 0.000 2.392 369 S HA -0.237 4.236 4.470 0.005 0.000 0.232 369 S C 2.098 176.870 174.600 0.288 0.000 1.041 369 S CA 1.338 59.756 58.200 0.362 0.000 1.026 369 S CB -1.334 61.996 63.200 0.217 0.000 0.845 369 S HN 0.221 nan 8.310 nan 0.000 0.465 370 V N 3.106 123.106 119.914 0.143 0.000 2.277 370 V HA -0.297 3.826 4.120 0.005 0.000 0.253 370 V C 2.495 178.658 176.094 0.116 0.000 1.067 370 V CA 2.546 64.874 62.300 0.048 0.000 1.047 370 V CB -0.894 30.861 31.823 -0.113 0.000 0.649 370 V HN 0.497 nan 8.190 nan 0.000 0.447 371 D N -1.632 118.815 120.400 0.078 0.000 2.178 371 D HA -0.167 4.476 4.640 0.005 0.000 0.201 371 D C 1.968 178.243 176.300 -0.042 0.000 0.980 371 D CA 1.452 55.457 54.000 0.008 0.000 0.842 371 D CB -0.240 40.592 40.800 0.054 0.000 0.948 371 D HN 0.642 nan 8.370 nan 0.000 0.472 372 Y N -0.598 119.848 120.300 0.244 0.000 2.314 372 Y HA -0.090 4.463 4.550 0.006 0.000 0.293 372 Y C 2.137 178.134 175.900 0.162 0.000 1.129 372 Y CA 0.280 58.499 58.100 0.198 0.000 1.201 372 Y CB -0.320 38.249 38.460 0.182 0.000 0.999 372 Y HN -0.082 nan 8.280 nan 0.000 0.541 373 F N 0.527 120.580 119.950 0.173 0.000 2.134 373 F HA -0.193 4.337 4.527 0.005 0.000 0.299 373 F C 2.314 178.188 175.800 0.124 0.000 1.097 373 F CA 1.205 59.272 58.000 0.112 0.000 1.264 373 F CB -0.467 38.572 39.000 0.064 0.000 1.001 373 F HN -0.022 nan 8.300 nan 0.000 0.479 374 A N 0.274 123.240 122.820 0.242 0.000 1.933 374 A HA -0.154 4.169 4.320 0.005 0.000 0.218 374 A C 2.087 179.774 177.584 0.172 0.000 1.175 374 A CA 1.574 53.750 52.037 0.232 0.000 0.628 374 A CB -1.251 17.857 19.000 0.181 0.000 0.814 374 A HN 0.491 nan 8.150 nan 0.000 0.444 375 L N 0.361 121.664 121.223 0.133 0.000 2.013 375 L HA -0.115 4.228 4.340 0.005 0.000 0.212 375 L C 2.380 179.332 176.870 0.137 0.000 1.073 375 L CA 2.562 57.499 54.840 0.162 0.000 0.753 375 L CB -1.211 40.973 42.059 0.208 0.000 0.890 375 L HN 0.303 nan 8.230 nan 0.000 0.432 376 G N -1.138 107.672 108.800 0.015 0.000 2.446 376 G HA2 -0.219 3.745 3.960 0.005 0.000 0.217 376 G HA3 -0.219 3.745 3.960 0.005 0.000 0.217 376 G C 1.533 176.410 174.900 -0.038 0.000 1.168 376 G CA 1.183 46.242 45.100 -0.067 0.000 0.771 376 G HN 0.371 nan 8.290 nan 0.000 0.551 377 V N 0.903 120.730 119.914 -0.146 0.000 2.469 377 V HA -0.183 3.940 4.120 0.005 0.000 0.251 377 V C 3.070 179.257 176.094 0.155 0.000 1.064 377 V CA 2.282 64.503 62.300 -0.132 0.000 1.066 377 V CB -0.895 30.771 31.823 -0.261 0.000 0.667 377 V HN 0.381 nan 8.190 nan 0.000 0.461 378 T N 0.409 115.126 114.554 0.271 0.000 2.732 378 T HA -0.102 4.251 4.350 0.005 0.000 0.261 378 T C 1.905 176.765 174.700 0.268 0.000 1.040 378 T CA 1.564 63.856 62.100 0.319 0.000 1.145 378 T CB -0.308 68.719 68.868 0.265 0.000 0.866 378 T HN 0.313 nan 8.240 nan 0.000 0.427 379 L N 0.653 122.042 121.223 0.277 0.000 2.012 379 L HA -0.063 4.280 4.340 0.005 0.000 0.210 379 L C 2.074 179.117 176.870 0.289 0.000 1.073 379 L CA 1.761 56.778 54.840 0.296 0.000 0.748 379 L CB -1.180 41.094 42.059 0.359 0.000 0.891 379 L HN 0.342 nan 8.230 nan 0.000 0.431 380 Y N 0.597 121.019 120.300 0.204 0.000 2.081 380 Y HA -0.339 4.214 4.550 0.005 0.000 0.280 380 Y C 2.738 178.724 175.900 0.144 0.000 1.163 380 Y CA 2.422 60.678 58.100 0.261 0.000 1.135 380 Y CB -0.160 38.355 38.460 0.092 0.000 0.970 380 Y HN 0.477 nan 8.280 nan 0.000 0.498 381 E N -0.277 120.103 120.200 0.300 0.000 2.110 381 E HA -0.247 4.107 4.350 0.005 0.000 0.193 381 E C 2.182 178.725 176.600 -0.095 0.000 0.988 381 E CA 1.396 57.884 56.400 0.147 0.000 0.804 381 E CB -0.229 29.594 29.700 0.205 0.000 0.745 381 E HN 0.561 nan 8.360 nan 0.000 0.458 382 M N -0.049 119.505 119.600 -0.076 0.000 2.279 382 M HA -0.127 4.357 4.480 0.005 0.000 0.264 382 M C 1.812 177.911 176.300 -0.336 0.000 1.062 382 M CA 1.163 56.305 55.300 -0.263 0.000 1.099 382 M CB 0.096 32.733 32.600 0.063 0.000 1.394 382 M HN 0.247 nan 8.290 nan 0.000 0.426 383 I N -1.418 118.988 120.570 -0.274 0.000 2.927 383 I HA -0.013 4.160 4.170 0.005 0.000 0.268 383 I C 2.131 177.945 176.117 -0.503 0.000 1.153 383 I CA 0.434 61.477 61.300 -0.428 0.000 1.459 383 I CB -0.059 37.541 38.000 -0.667 0.000 1.149 383 I HN 0.116 nan 8.210 nan 0.000 0.443 384 A N 0.530 123.080 122.820 -0.450 0.000 2.220 384 A HA 0.505 4.828 4.320 0.005 0.000 0.211 384 A C 1.571 179.050 177.584 -0.176 0.000 1.176 384 A CA 0.535 52.376 52.037 -0.327 0.000 0.834 384 A CB -0.113 18.679 19.000 -0.346 0.000 0.868 384 A HN 0.390 nan 8.150 nan 0.000 0.488 385 A N -0.220 122.464 122.820 -0.227 0.000 2.704 385 A HA -0.173 4.150 4.320 0.005 0.000 0.299 385 A C 0.461 178.143 177.584 0.164 0.000 1.507 385 A CA 1.635 53.554 52.037 -0.197 0.000 0.776 385 A CB -2.059 16.800 19.000 -0.234 0.000 1.027 385 A HN 1.484 nan 8.150 nan 0.000 0.475 386 R N -2.099 118.497 120.500 0.161 0.000 2.712 386 R HA 0.610 4.954 4.340 0.005 0.000 0.272 386 R C 0.154 176.590 176.300 0.228 0.000 1.032 386 R CA -0.483 55.740 56.100 0.205 0.000 0.874 386 R CB 0.195 30.580 30.300 0.141 0.000 1.256 386 R HN 1.096 nan 8.270 nan 0.000 0.468 387 G N 0.640 109.516 108.800 0.126 0.000 2.539 387 G HA2 0.417 4.380 3.960 0.005 0.000 0.258 387 G HA3 0.417 4.380 3.960 0.005 0.000 0.258 387 G C -1.937 172.864 174.900 -0.166 0.000 1.202 387 G CA -1.557 43.537 45.100 -0.009 0.000 0.851 387 G HN 0.459 nan 8.290 nan 0.000 0.556 388 P HA 0.115 nan 4.420 nan 0.000 0.231 388 P C 0.690 177.433 177.300 -0.928 0.000 1.168 388 P CA 0.766 63.126 63.100 -1.232 0.000 0.779 388 P CB 0.187 30.677 31.700 -2.017 0.000 0.844 389 F N -0.560 119.244 119.950 -0.243 0.000 2.706 389 F HA 0.257 4.787 4.527 0.005 0.000 0.308 389 F C 1.394 177.131 175.800 -0.105 0.000 1.095 389 F CA -0.463 57.438 58.000 -0.166 0.000 1.244 389 F CB 0.602 39.508 39.000 -0.156 0.000 1.063 389 F HN -0.219 nan 8.300 nan 0.000 0.582 390 R N 0.273 120.795 120.500 0.036 0.000 2.764 390 R HA 0.830 5.174 4.340 0.005 0.000 0.270 390 R C -1.075 175.228 176.300 0.005 0.000 1.014 390 R CA -0.930 55.184 56.100 0.023 0.000 0.904 390 R CB 1.163 31.480 30.300 0.030 0.000 1.236 390 R HN -0.119 nan 8.270 nan 0.000 0.466 391 A N 1.100 123.924 122.820 0.006 0.000 2.257 391 A HA 0.420 4.743 4.320 0.005 0.000 0.289 391 A C -0.062 177.525 177.584 0.004 0.000 1.095 391 A CA -0.696 51.345 52.037 0.007 0.000 0.836 391 A CB 0.455 19.457 19.000 0.004 0.000 1.111 391 A HN 0.713 nan 8.150 nan 0.000 0.497 392 R N -0.295 120.208 120.500 0.005 0.000 2.480 392 R HA 0.311 4.654 4.340 0.005 0.000 0.303 392 R C 1.275 177.565 176.300 -0.016 0.000 0.985 392 R CA 1.533 57.628 56.100 -0.008 0.000 1.051 392 R CB -0.350 29.947 30.300 -0.005 0.000 0.935 392 R HN 1.610 nan 8.270 nan 0.000 0.410 393 G N 3.051 111.835 108.800 -0.027 0.000 2.253 393 G HA2 -0.365 3.598 3.960 0.005 0.000 0.251 393 G HA3 -0.365 3.598 3.960 0.005 0.000 0.251 393 G C 0.069 174.960 174.900 -0.016 0.000 0.998 393 G CA 0.397 45.481 45.100 -0.026 0.000 0.621 393 G HN 0.698 nan 8.290 nan 0.000 0.524 394 E N 1.713 121.907 120.200 -0.010 0.000 2.498 394 E HA 0.331 4.684 4.350 0.005 0.000 0.252 394 E C 0.068 176.667 176.600 -0.003 0.000 1.025 394 E CA 0.213 56.610 56.400 -0.004 0.000 0.938 394 E CB 0.145 29.845 29.700 0.001 0.000 0.947 394 E HN 0.370 nan 8.360 nan 0.000 0.478 395 K N 4.625 125.022 120.400 -0.004 0.000 2.413 395 K HA 0.331 4.654 4.320 0.005 0.000 0.257 395 K C -0.528 176.071 176.600 -0.002 0.000 0.946 395 K CA -0.822 55.463 56.287 -0.002 0.000 0.823 395 K CB 1.781 34.278 32.500 -0.005 0.000 1.109 395 K HN 0.421 nan 8.250 nan 0.000 0.427 396 V N -1.001 118.913 119.914 -0.000 0.000 3.158 396 V HA 0.474 4.597 4.120 0.005 0.000 0.315 396 V C -0.098 175.994 176.094 -0.004 0.000 1.148 396 V CA -1.139 61.159 62.300 -0.003 0.000 1.042 396 V CB 1.613 33.434 31.823 -0.003 0.000 1.101 396 V HN 0.806 nan 8.190 nan 0.000 0.448 397 E N 1.066 121.262 120.200 -0.007 0.000 2.390 397 E HA 0.247 4.600 4.350 0.005 0.000 0.261 397 E C 0.116 176.711 176.600 -0.008 0.000 1.076 397 E CA -0.467 55.929 56.400 -0.008 0.000 0.905 397 E CB 0.381 30.074 29.700 -0.012 0.000 0.984 397 E HN 0.592 nan 8.360 nan 0.000 0.427 398 N N 2.361 121.060 118.700 -0.003 0.000 2.037 398 N HA -0.226 4.517 4.740 0.005 0.000 0.196 398 N C 1.322 176.827 175.510 -0.008 0.000 1.034 398 N CA 1.551 54.604 53.050 0.005 0.000 0.861 398 N CB -0.306 38.191 38.487 0.016 0.000 1.039 398 N HN 0.495 nan 8.380 nan 0.000 0.427 399 K N 0.749 121.139 120.400 -0.016 0.000 2.107 399 K HA -0.212 4.111 4.320 0.005 0.000 0.211 399 K C 1.992 178.575 176.600 -0.029 0.000 1.049 399 K CA 1.432 57.705 56.287 -0.023 0.000 0.927 399 K CB -0.123 32.362 32.500 -0.025 0.000 0.714 399 K HN 0.406 nan 8.250 nan 0.000 0.452 400 E N 0.516 120.700 120.200 -0.026 0.000 2.076 400 E HA -0.143 4.210 4.350 0.005 0.000 0.190 400 E C 2.033 178.607 176.600 -0.043 0.000 0.979 400 E CA 0.327 56.709 56.400 -0.029 0.000 0.807 400 E CB 0.060 29.748 29.700 -0.019 0.000 0.761 400 E HN 0.077 nan 8.360 nan 0.000 0.454 401 L N 2.054 123.251 121.223 -0.043 0.000 2.042 401 L HA -0.206 4.138 4.340 0.005 0.000 0.210 401 L C 2.284 179.074 176.870 -0.132 0.000 1.076 401 L CA 2.020 56.817 54.840 -0.072 0.000 0.749 401 L CB -0.589 41.439 42.059 -0.050 0.000 0.893 401 L HN 0.036 nan 8.230 nan 0.000 0.432 402 K N -1.255 119.086 120.400 -0.099 0.000 2.020 402 K HA -0.260 4.063 4.320 0.005 0.000 0.212 402 K C 2.111 178.628 176.600 -0.138 0.000 1.050 402 K CA 1.884 58.102 56.287 -0.116 0.000 0.929 402 K CB -0.179 32.287 32.500 -0.055 0.000 0.714 402 K HN 0.359 nan 8.250 nan 0.000 0.443 403 Q N 0.591 120.334 119.800 -0.095 0.000 2.096 403 Q HA -0.174 4.169 4.340 0.005 0.000 0.204 403 Q C 2.184 178.125 176.000 -0.098 0.000 0.982 403 Q CA 1.604 57.358 55.803 -0.082 0.000 0.850 403 Q CB -0.269 28.439 28.738 -0.051 0.000 0.901 403 Q HN 0.408 nan 8.270 nan 0.000 0.422 404 R N -0.277 120.158 120.500 -0.108 0.000 2.080 404 R HA -0.101 4.242 4.340 0.005 0.000 0.236 404 R C 2.438 178.599 176.300 -0.232 0.000 1.137 404 R CA 1.542 57.586 56.100 -0.094 0.000 0.943 404 R CB -0.722 29.557 30.300 -0.035 0.000 0.846 404 R HN 0.089 nan 8.270 nan 0.000 0.431 405 V N 1.849 121.451 119.914 -0.520 0.000 2.332 405 V HA -0.234 3.889 4.120 0.005 0.000 0.248 405 V C 2.393 178.291 176.094 -0.328 0.000 1.055 405 V CA 1.698 63.539 62.300 -0.764 0.000 1.038 405 V CB -0.436 30.956 31.823 -0.719 0.000 0.651 405 V HN 0.286 nan 8.190 nan 0.000 0.450 406 L N 0.045 121.129 121.223 -0.230 0.000 2.093 406 L HA -0.134 4.209 4.340 0.005 0.000 0.208 406 L C 2.364 179.188 176.870 -0.076 0.000 1.085 406 L CA 2.118 56.870 54.840 -0.147 0.000 0.755 406 L CB -0.311 41.676 42.059 -0.119 0.000 0.904 406 L HN 0.602 nan 8.230 nan 0.000 0.435 407 E N -1.228 118.941 120.200 -0.053 0.000 2.639 407 E HA 0.007 4.360 4.350 0.005 0.000 0.225 407 E C 0.801 177.411 176.600 0.016 0.000 0.921 407 E CA -0.321 56.070 56.400 -0.015 0.000 1.184 407 E CB 0.155 29.843 29.700 -0.020 0.000 1.160 407 E HN 0.302 nan 8.360 nan 0.000 0.547 408 Q N 1.951 121.772 119.800 0.035 0.000 2.304 408 Q HA 0.411 4.755 4.340 0.005 0.000 0.260 408 Q C -0.742 175.323 176.000 0.108 0.000 0.965 408 Q CA -0.210 55.639 55.803 0.075 0.000 0.898 408 Q CB 1.101 29.907 28.738 0.113 0.000 1.196 408 Q HN 0.281 nan 8.270 nan 0.000 0.402 409 A N 4.112 126.965 122.820 0.056 0.000 2.328 409 A HA 0.416 4.739 4.320 0.005 0.000 0.284 409 A C -0.359 177.204 177.584 -0.035 0.000 1.160 409 A CA -0.659 51.402 52.037 0.039 0.000 0.818 409 A CB 0.768 19.788 19.000 0.032 0.000 1.087 409 A HN 0.662 nan 8.150 nan 0.000 0.504 410 V N 2.106 121.955 119.914 -0.109 0.000 2.811 410 V HA 0.246 4.370 4.120 0.005 0.000 0.302 410 V C 0.929 176.765 176.094 -0.430 0.000 1.063 410 V CA 0.205 62.265 62.300 -0.400 0.000 1.088 410 V CB 1.324 32.755 31.823 -0.654 0.000 0.982 410 V HN 0.910 nan 8.190 nan 0.000 0.485 411 T N 3.666 117.906 114.554 -0.524 0.000 2.779 411 T HA 0.558 4.911 4.350 0.005 0.000 0.280 411 T C -1.105 173.330 174.700 -0.442 0.000 0.987 411 T CA -0.074 61.827 62.100 -0.332 0.000 0.966 411 T CB 0.388 69.170 68.868 -0.143 0.000 0.933 411 T HN 0.447 nan 8.240 nan 0.000 0.442 412 Y N 4.858 125.101 120.300 -0.095 0.000 2.402 412 Y HA 0.342 4.895 4.550 0.005 0.000 0.332 412 Y C -1.477 174.404 175.900 -0.032 0.000 0.960 412 Y CA -2.247 55.706 58.100 -0.246 0.000 1.228 412 Y CB 0.529 38.692 38.460 -0.495 0.000 1.120 412 Y HN 0.517 nan 8.280 nan 0.000 0.491 413 P HA -0.019 nan 4.420 nan 0.000 0.286 413 P C -0.025 177.437 177.300 0.271 0.000 1.278 413 P CA 0.147 63.380 63.100 0.221 0.000 0.785 413 P CB 1.260 33.072 31.700 0.188 0.000 1.269 414 D N -1.081 119.414 120.400 0.158 0.000 2.249 414 D HA -0.028 4.616 4.640 0.005 0.000 0.205 414 D C 1.746 178.101 176.300 0.090 0.000 0.962 414 D CA 0.862 54.932 54.000 0.117 0.000 0.860 414 D CB -0.263 40.574 40.800 0.061 0.000 0.955 414 D HN 0.371 nan 8.370 nan 0.000 0.505 415 K N -0.165 120.252 120.400 0.029 0.000 2.228 415 K HA -0.115 4.209 4.320 0.005 0.000 0.205 415 K C 0.346 176.833 176.600 -0.189 0.000 1.045 415 K CA 0.593 56.804 56.287 -0.126 0.000 0.931 415 K CB -0.100 32.239 32.500 -0.268 0.000 0.727 415 K HN 0.093 nan 8.250 nan 0.000 0.458 416 F N 0.493 120.427 119.950 -0.026 0.000 2.418 416 F HA 0.030 4.560 4.527 0.005 0.000 0.341 416 F C 1.092 176.883 175.800 -0.015 0.000 1.120 416 F CA -0.606 57.384 58.000 -0.017 0.000 1.232 416 F CB 0.877 39.885 39.000 0.013 0.000 1.175 416 F HN -0.117 nan 8.300 nan 0.000 0.569 417 S N 2.349 118.145 115.700 0.160 0.000 2.651 417 S HA 0.454 4.928 4.470 0.005 0.000 0.291 417 S C -2.078 172.573 174.600 0.084 0.000 1.141 417 S CA -1.447 56.804 58.200 0.085 0.000 1.027 417 S CB 1.887 65.110 63.200 0.038 0.000 1.043 417 S HN 0.298 nan 8.310 nan 0.000 0.530 418 P HA -0.196 nan 4.420 nan 0.000 0.217 418 P C 1.596 178.918 177.300 0.036 0.000 1.158 418 P CA 2.483 65.596 63.100 0.022 0.000 0.887 418 P CB -0.278 31.430 31.700 0.012 0.000 0.792 419 A N -0.850 122.001 122.820 0.051 0.000 1.845 419 A HA -0.206 4.117 4.320 0.005 0.000 0.215 419 A C 2.395 180.046 177.584 0.112 0.000 1.195 419 A CA 2.467 54.557 52.037 0.089 0.000 0.616 419 A CB -1.601 17.422 19.000 0.038 0.000 0.832 419 A HN 0.142 nan 8.150 nan 0.000 0.443 420 S N -0.247 115.512 115.700 0.100 0.000 2.377 420 S HA -0.280 4.194 4.470 0.005 0.000 0.224 420 S C 2.047 176.746 174.600 0.165 0.000 1.042 420 S CA 1.975 60.285 58.200 0.184 0.000 1.086 420 S CB -0.431 62.945 63.200 0.294 0.000 0.995 420 S HN 0.685 nan 8.310 nan 0.000 0.428 421 K N 1.010 121.439 120.400 0.050 0.000 2.059 421 K HA -0.264 4.060 4.320 0.005 0.000 0.212 421 K C 1.873 178.260 176.600 -0.354 0.000 1.050 421 K CA 2.162 58.223 56.287 -0.377 0.000 0.927 421 K CB -0.375 31.898 32.500 -0.379 0.000 0.714 421 K HN 0.318 nan 8.250 nan 0.000 0.447 422 D N -0.659 119.679 120.400 -0.103 0.000 2.144 422 D HA -0.181 4.463 4.640 0.005 0.000 0.200 422 D C 1.766 178.093 176.300 0.045 0.000 0.978 422 D CA 0.925 54.920 54.000 -0.008 0.000 0.833 422 D CB -0.132 40.742 40.800 0.122 0.000 0.961 422 D HN 0.278 nan 8.370 nan 0.000 0.470 423 F N 0.734 120.584 119.950 -0.166 0.000 2.075 423 F HA -0.165 4.365 4.527 0.005 0.000 0.297 423 F C 2.299 178.012 175.800 -0.145 0.000 1.113 423 F CA 1.063 58.845 58.000 -0.363 0.000 1.218 423 F CB -0.802 37.900 39.000 -0.497 0.000 0.984 423 F HN 0.118 nan 8.300 nan 0.000 0.472 424 C N 0.578 119.832 119.300 -0.078 0.000 2.403 424 C HA -0.203 4.260 4.460 0.005 0.000 0.277 424 C C 2.684 177.630 174.990 -0.073 0.000 1.248 424 C CA 1.437 60.420 59.018 -0.057 0.000 1.762 424 C CB -1.294 26.560 27.740 0.190 0.000 2.014 424 C HN 0.532 nan 8.230 nan 0.000 0.486 425 E N 0.615 120.738 120.200 -0.129 0.000 2.110 425 E HA -0.155 4.199 4.350 0.005 0.000 0.193 425 E C 2.298 178.876 176.600 -0.037 0.000 0.988 425 E CA 1.346 57.711 56.400 -0.057 0.000 0.804 425 E CB -0.205 29.426 29.700 -0.115 0.000 0.745 425 E HN 0.704 nan 8.360 nan 0.000 0.458 426 A N 0.553 123.319 122.820 -0.089 0.000 2.016 426 A HA -0.041 4.283 4.320 0.005 0.000 0.217 426 A C 2.045 179.571 177.584 -0.097 0.000 1.162 426 A CA 0.671 52.666 52.037 -0.070 0.000 0.662 426 A CB -0.199 18.768 19.000 -0.055 0.000 0.812 426 A HN 0.112 nan 8.150 nan 0.000 0.450 427 L N -1.106 119.999 121.223 -0.197 0.000 2.209 427 L HA 0.085 4.428 4.340 0.005 0.000 0.207 427 L C 1.880 178.758 176.870 0.013 0.000 1.094 427 L CA 0.510 55.273 54.840 -0.128 0.000 0.790 427 L CB -0.200 41.694 42.059 -0.275 0.000 0.932 427 L HN 0.294 nan 8.230 nan 0.000 0.447 428 L N -0.604 120.607 121.223 -0.019 0.000 2.591 428 L HA 0.045 4.389 4.340 0.005 0.000 0.228 428 L C 0.664 177.706 176.870 0.287 0.000 1.133 428 L CA -0.341 54.530 54.840 0.052 0.000 0.880 428 L CB -0.124 41.892 42.059 -0.071 0.000 1.033 428 L HN 0.171 nan 8.230 nan 0.000 0.450 429 Q N 1.485 121.395 119.800 0.183 0.000 2.687 429 Q HA -0.140 4.203 4.340 0.005 0.000 0.341 429 Q C 1.132 177.241 176.000 0.181 0.000 1.074 429 Q CA 0.648 56.543 55.803 0.153 0.000 1.115 429 Q CB 0.532 29.329 28.738 0.098 0.000 0.996 429 Q HN 0.033 nan 8.270 nan 0.000 0.397 430 K N 2.224 122.700 120.400 0.127 0.000 2.103 430 K HA -0.128 4.196 4.320 0.005 0.000 0.207 430 K C 0.044 176.640 176.600 -0.007 0.000 1.048 430 K CA 1.021 57.335 56.287 0.046 0.000 0.930 430 K CB 0.028 32.542 32.500 0.023 0.000 0.716 430 K HN 0.601 nan 8.250 nan 0.000 0.444 431 D N 1.135 121.548 120.400 0.022 0.000 2.359 431 D HA 0.081 4.724 4.640 0.005 0.000 0.230 431 D C -1.685 174.633 176.300 0.030 0.000 1.118 431 D CA -2.529 51.477 54.000 0.011 0.000 0.844 431 D CB 1.477 42.285 40.800 0.013 0.000 1.059 431 D HN -0.157 nan 8.370 nan 0.000 0.493 432 P HA -0.170 nan 4.420 nan 0.000 0.219 432 P C 0.901 178.234 177.300 0.054 0.000 1.146 432 P CA 0.789 63.922 63.100 0.055 0.000 0.808 432 P CB 0.519 32.248 31.700 0.049 0.000 0.779 433 E N 0.234 120.457 120.200 0.037 0.000 2.265 433 E HA -0.119 4.234 4.350 0.005 0.000 0.196 433 E C 1.439 178.057 176.600 0.031 0.000 0.996 433 E CA 1.090 57.509 56.400 0.032 0.000 0.832 433 E CB -0.304 29.409 29.700 0.022 0.000 0.756 433 E HN 0.304 nan 8.360 nan 0.000 0.491 434 K N -0.415 120.006 120.400 0.035 0.000 2.387 434 K HA 0.173 4.496 4.320 0.005 0.000 0.203 434 K C 0.212 176.836 176.600 0.040 0.000 1.030 434 K CA -0.257 56.050 56.287 0.033 0.000 1.099 434 K CB 0.954 33.473 32.500 0.032 0.000 0.863 434 K HN -0.129 nan 8.250 nan 0.000 0.529 435 R N 2.204 122.735 120.500 0.051 0.000 2.229 435 R HA 0.137 4.480 4.340 0.005 0.000 0.328 435 R C -0.398 175.916 176.300 0.022 0.000 1.009 435 R CA -0.670 55.466 56.100 0.060 0.000 0.864 435 R CB 0.544 30.913 30.300 0.115 0.000 1.085 435 R HN -0.056 nan 8.270 nan 0.000 0.453 436 L N 4.703 125.922 121.223 -0.006 0.000 2.653 436 L HA 0.078 4.421 4.340 0.005 0.000 0.288 436 L C 0.274 177.043 176.870 -0.168 0.000 1.243 436 L CA 1.726 56.535 54.840 -0.051 0.000 0.906 436 L CB 0.520 42.550 42.059 -0.048 0.000 1.154 436 L HN 0.919 nan 8.230 nan 0.000 0.498 437 G N 3.891 112.513 108.800 -0.296 0.000 3.218 437 G HA2 0.135 4.099 3.960 0.005 0.000 0.143 437 G HA3 0.135 4.099 3.960 0.005 0.000 0.143 437 G C -1.278 173.272 174.900 -0.583 0.000 1.220 437 G CA -0.198 44.408 45.100 -0.823 0.000 1.382 437 G HN 0.480 nan 8.290 nan 0.000 0.682 438 F N 3.021 122.724 119.950 -0.412 0.000 2.366 438 F HA 0.769 5.300 4.527 0.006 0.000 0.366 438 F C -0.273 175.514 175.800 -0.021 0.000 1.096 438 F CA -1.034 56.903 58.000 -0.104 0.000 1.060 438 F CB 0.894 39.987 39.000 0.155 0.000 1.282 438 F HN 0.050 nan 8.300 nan 0.000 0.450 439 R N 3.611 123.879 120.500 -0.388 0.000 2.637 439 R HA 0.330 4.673 4.340 0.005 0.000 0.291 439 R C -0.911 175.126 176.300 -0.438 0.000 0.963 439 R CA -0.925 54.989 56.100 -0.310 0.000 0.901 439 R CB 1.046 31.249 30.300 -0.161 0.000 1.160 439 R HN 0.708 nan 8.270 nan 0.000 0.457 440 D N 1.114 121.327 120.400 -0.311 0.000 2.812 440 D HA -0.142 4.501 4.640 0.005 0.000 0.237 440 D C 0.802 176.897 176.300 -0.342 0.000 1.162 440 D CA 1.488 55.341 54.000 -0.244 0.000 0.740 440 D CB -1.053 39.646 40.800 -0.168 0.000 1.000 440 D HN 0.981 nan 8.370 nan 0.000 0.416 441 G N -0.286 108.260 108.800 -0.424 0.000 2.269 441 G HA2 -0.174 3.789 3.960 0.005 0.000 0.277 441 G HA3 -0.174 3.789 3.960 0.005 0.000 0.277 441 G C 0.412 175.081 174.900 -0.385 0.000 1.008 441 G CA 1.449 46.369 45.100 -0.300 0.000 0.774 441 G HN 1.615 nan 8.290 nan 0.000 0.511 442 S N -3.299 111.899 115.700 -0.836 0.000 2.661 442 S HA 0.491 4.964 4.470 0.005 0.000 0.268 442 S C 0.157 174.552 174.600 -0.342 0.000 1.162 442 S CA 0.006 57.990 58.200 -0.361 0.000 0.817 442 S CB 1.141 64.228 63.200 -0.189 0.000 1.141 442 S HN 0.686 nan 8.310 nan 0.000 0.477 443 C N 1.470 120.727 119.300 -0.072 0.000 2.668 443 C HA 0.417 4.880 4.460 0.005 0.000 0.301 443 C C 1.478 176.356 174.990 -0.188 0.000 1.351 443 C CA -0.410 58.570 59.018 -0.063 0.000 1.757 443 C CB -1.801 25.962 27.740 0.037 0.000 2.179 443 C HN 0.821 nan 8.230 nan 0.000 0.586 444 D N 1.955 122.227 120.400 -0.212 0.000 2.104 444 D HA -0.110 4.533 4.640 0.005 0.000 0.194 444 D C 2.285 178.486 176.300 -0.164 0.000 0.994 444 D CA 2.012 55.874 54.000 -0.229 0.000 0.830 444 D CB -0.462 40.231 40.800 -0.178 0.000 0.959 444 D HN 0.551 nan 8.370 nan 0.000 0.452 445 G N 1.077 109.805 108.800 -0.119 0.000 2.469 445 G HA2 -0.261 3.703 3.960 0.005 0.000 0.219 445 G HA3 -0.261 3.703 3.960 0.005 0.000 0.219 445 G C 1.726 176.634 174.900 0.012 0.000 1.150 445 G CA 0.719 45.786 45.100 -0.056 0.000 0.763 445 G HN 0.309 nan 8.290 nan 0.000 0.561 446 L N -0.184 121.045 121.223 0.011 0.000 2.072 446 L HA 0.102 4.446 4.340 0.005 0.000 0.205 446 L C 3.087 180.099 176.870 0.236 0.000 1.079 446 L CA 1.006 55.946 54.840 0.167 0.000 0.752 446 L CB -0.173 41.981 42.059 0.159 0.000 0.906 446 L HN 0.110 nan 8.230 nan 0.000 0.436 447 R N -1.033 119.397 120.500 -0.118 0.000 2.170 447 R HA -0.175 4.168 4.340 0.005 0.000 0.242 447 R C 2.075 178.492 176.300 0.194 0.000 1.145 447 R CA 1.709 57.598 56.100 -0.351 0.000 0.984 447 R CB -0.740 28.768 30.300 -1.320 0.000 0.869 447 R HN 0.377 nan 8.270 nan 0.000 0.455 448 T N -0.062 114.565 114.554 0.123 0.000 2.737 448 T HA -0.195 4.158 4.350 0.005 0.000 0.269 448 T C 0.810 175.650 174.700 0.232 0.000 1.040 448 T CA 0.841 63.033 62.100 0.154 0.000 1.142 448 T CB -0.391 68.522 68.868 0.075 0.000 0.861 448 T HN 0.323 nan 8.240 nan 0.000 0.456 449 H N 1.747 120.938 119.070 0.202 0.000 3.115 449 H HA -0.044 4.516 4.556 0.006 0.000 0.324 449 H C -1.798 173.524 175.328 -0.009 0.000 1.007 449 H CA -1.023 55.069 56.048 0.073 0.000 1.385 449 H CB 0.924 30.689 29.762 0.005 0.000 1.351 449 H HN 0.031 nan 8.280 nan 0.000 0.592 450 P HA -0.178 nan 4.420 nan 0.000 0.221 450 P C 1.583 178.863 177.300 -0.034 0.000 1.141 450 P CA 0.691 63.720 63.100 -0.119 0.000 0.794 450 P CB 0.103 31.660 31.700 -0.238 0.000 0.764 451 L N -1.983 119.230 121.223 -0.017 0.000 2.217 451 L HA 0.053 4.396 4.340 0.005 0.000 0.211 451 L C 1.346 178.012 176.870 -0.341 0.000 1.107 451 L CA 1.486 56.130 54.840 -0.327 0.000 0.783 451 L CB -0.892 40.676 42.059 -0.819 0.000 0.919 451 L HN -0.116 nan 8.230 nan 0.000 0.442 452 F N -1.078 118.892 119.950 0.033 0.000 2.713 452 F HA 0.252 4.782 4.527 0.006 0.000 0.294 452 F C 1.995 177.812 175.800 0.028 0.000 1.152 452 F CA -0.394 57.620 58.000 0.025 0.000 1.385 452 F CB -0.226 38.941 39.000 0.278 0.000 0.981 452 F HN -0.042 nan 8.300 nan 0.000 0.514 453 R N 0.964 121.538 120.500 0.124 0.000 2.105 453 R HA -0.149 4.194 4.340 0.005 0.000 0.239 453 R C 0.493 176.821 176.300 0.047 0.000 1.135 453 R CA 1.633 57.781 56.100 0.080 0.000 0.967 453 R CB -0.113 30.204 30.300 0.029 0.000 0.861 453 R HN 0.269 nan 8.270 nan 0.000 0.442 454 D N -0.085 120.324 120.400 0.015 0.000 2.368 454 D HA 0.119 4.762 4.640 0.005 0.000 0.218 454 D C -0.084 176.175 176.300 -0.067 0.000 1.112 454 D CA -0.045 53.944 54.000 -0.019 0.000 0.834 454 D CB 0.532 41.320 40.800 -0.021 0.000 0.953 454 D HN 0.056 nan 8.370 nan 0.000 0.505 455 I N 1.381 121.872 120.570 -0.131 0.000 2.304 455 I HA 0.049 4.222 4.170 0.005 0.000 0.291 455 I C 0.624 176.495 176.117 -0.410 0.000 1.018 455 I CA -0.450 60.639 61.300 -0.352 0.000 1.260 455 I CB 1.274 38.865 38.000 -0.682 0.000 1.390 455 I HN -0.232 nan 8.210 nan 0.000 0.475 456 S N 6.174 121.716 115.700 -0.265 0.000 2.416 456 S HA 0.101 4.575 4.470 0.005 0.000 0.302 456 S C 0.868 175.367 174.600 -0.167 0.000 1.120 456 S CA -0.416 57.698 58.200 -0.144 0.000 1.067 456 S CB 0.001 63.169 63.200 -0.053 0.000 1.057 456 S HN 0.500 nan 8.310 nan 0.000 0.518 457 W N 4.277 125.562 121.300 -0.026 0.000 2.363 457 W HA -0.060 4.603 4.660 0.005 0.000 0.296 457 W C 2.554 179.065 176.519 -0.013 0.000 1.212 457 W CA 0.837 58.151 57.345 -0.051 0.000 1.260 457 W CB -0.161 29.257 29.460 -0.070 0.000 1.131 457 W HN 0.632 nan 8.180 nan 0.000 0.530 458 R N 0.762 121.381 120.500 0.198 0.000 2.080 458 R HA -0.240 4.104 4.340 0.005 0.000 0.236 458 R C 2.031 178.390 176.300 0.097 0.000 1.137 458 R CA 2.234 58.411 56.100 0.129 0.000 0.943 458 R CB -0.550 29.796 30.300 0.077 0.000 0.846 458 R HN 0.265 nan 8.270 nan 0.000 0.431 459 Q N 0.078 119.912 119.800 0.057 0.000 2.167 459 Q HA -0.156 4.187 4.340 0.005 0.000 0.202 459 Q C 2.209 178.251 176.000 0.071 0.000 0.970 459 Q CA 1.161 56.991 55.803 0.045 0.000 0.855 459 Q CB -0.079 28.671 28.738 0.019 0.000 0.911 459 Q HN 0.296 nan 8.270 nan 0.000 0.438 460 L N 1.094 122.346 121.223 0.048 0.000 2.005 460 L HA -0.175 4.168 4.340 0.005 0.000 0.207 460 L C 2.002 179.017 176.870 0.241 0.000 1.072 460 L CA 1.776 56.652 54.840 0.059 0.000 0.744 460 L CB -0.154 41.818 42.059 -0.145 0.000 0.895 460 L HN 0.038 nan 8.230 nan 0.000 0.433 461 E N -0.515 119.841 120.200 0.261 0.000 2.209 461 E HA -0.140 4.213 4.350 0.005 0.000 0.196 461 E C 1.591 178.332 176.600 0.235 0.000 0.993 461 E CA 1.136 57.743 56.400 0.346 0.000 0.819 461 E CB -0.144 29.717 29.700 0.269 0.000 0.745 461 E HN 0.587 nan 8.360 nan 0.000 0.477 462 A N -0.868 122.042 122.820 0.151 0.000 2.423 462 A HA 0.438 4.761 4.320 0.005 0.000 0.246 462 A C 1.394 179.006 177.584 0.048 0.000 1.278 462 A CA 0.408 52.490 52.037 0.077 0.000 0.903 462 A CB -0.367 18.671 19.000 0.062 0.000 0.997 462 A HN 0.234 nan 8.150 nan 0.000 0.510 463 G N 0.487 109.335 108.800 0.079 0.000 2.258 463 G HA2 -0.349 3.614 3.960 0.005 0.000 0.274 463 G HA3 -0.349 3.614 3.960 0.005 0.000 0.274 463 G C 0.649 175.592 174.900 0.071 0.000 1.021 463 G CA 1.030 46.168 45.100 0.063 0.000 0.798 463 G HN 1.283 nan 8.290 nan 0.000 0.507 464 M N -1.725 117.921 119.600 0.076 0.000 2.346 464 M HA 0.576 5.059 4.480 0.005 0.000 0.280 464 M C 0.511 176.850 176.300 0.065 0.000 1.075 464 M CA -0.227 55.106 55.300 0.055 0.000 0.989 464 M CB 0.445 33.065 32.600 0.033 0.000 1.447 464 M HN 0.061 nan 8.290 nan 0.000 0.511 465 L N 1.605 122.895 121.223 0.112 0.000 2.399 465 L HA 0.370 4.713 4.340 0.005 0.000 0.266 465 L C 0.020 176.953 176.870 0.105 0.000 1.114 465 L CA -0.423 54.493 54.840 0.126 0.000 0.804 465 L CB 1.653 43.851 42.059 0.232 0.000 1.146 465 L HN 0.163 nan 8.230 nan 0.000 0.451 466 T N 2.891 117.451 114.554 0.009 0.000 2.727 466 T HA 0.240 4.593 4.350 0.005 0.000 0.295 466 T C -2.254 172.288 174.700 -0.262 0.000 0.915 466 T CA -0.992 61.062 62.100 -0.077 0.000 1.066 466 T CB 0.588 69.402 68.868 -0.091 0.000 0.891 466 T HN 0.298 nan 8.240 nan 0.000 0.516 467 P HA 0.124 nan 4.420 nan 0.000 0.266 467 P C -1.570 175.381 177.300 -0.582 0.000 1.195 467 P CA -1.341 61.350 63.100 -0.682 0.000 0.768 467 P CB 0.231 31.827 31.700 -0.174 0.000 0.838 468 P HA -0.027 nan 4.420 nan 0.000 0.230 468 P C -0.236 176.956 177.300 -0.181 0.000 1.158 468 P CA 1.043 63.881 63.100 -0.438 0.000 0.769 468 P CB 0.148 31.546 31.700 -0.502 0.000 0.807 469 F N -0.169 119.597 119.950 -0.307 0.000 2.604 469 F HA 0.417 4.947 4.527 0.005 0.000 0.316 469 F C -1.765 173.961 175.800 -0.123 0.000 1.136 469 F CA -1.040 56.845 58.000 -0.191 0.000 0.989 469 F CB 1.750 40.627 39.000 -0.204 0.000 1.258 469 F HN -0.470 nan 8.300 nan 0.000 0.451 470 V N 6.931 126.455 119.914 -0.649 0.000 2.444 470 V HA 0.454 4.577 4.120 0.005 0.000 0.294 470 V C -2.032 173.727 176.094 -0.558 0.000 1.022 470 V CA -1.577 60.491 62.300 -0.387 0.000 0.850 470 V CB 1.272 32.946 31.823 -0.249 0.000 0.992 470 V HN 0.668 nan 8.190 nan 0.000 0.426 471 P HA 0.248 nan 4.420 nan 0.000 0.280 471 P C -0.609 176.685 177.300 -0.011 0.000 1.278 471 P CA -0.159 62.984 63.100 0.071 0.000 0.787 471 P CB 0.631 32.470 31.700 0.233 0.000 1.163 491 K N 1.902 122.297 120.400 -0.008 0.000 2.159 491 K HA 0.684 5.007 4.320 0.005 0.000 0.266 491 K C 0.529 177.107 176.600 -0.035 0.000 0.975 491 K CA -0.033 56.243 56.287 -0.019 0.000 0.865 491 K CB 1.486 33.978 32.500 -0.013 0.000 1.087 491 K HN 1.736 nan 8.250 nan 0.000 0.446 492 G N 0.945 109.716 108.800 -0.048 0.000 2.272 492 G HA2 -0.217 3.746 3.960 0.005 0.000 0.280 492 G HA3 -0.217 3.746 3.960 0.005 0.000 0.280 492 G C -0.269 174.579 174.900 -0.087 0.000 1.067 492 G CA -0.208 44.857 45.100 -0.059 0.000 0.902 492 G HN 0.353 nan 8.290 nan 0.000 0.500 493 V N 0.128 119.959 119.914 -0.137 0.000 2.435 493 V HA 0.813 4.936 4.120 0.005 0.000 0.290 493 V C 0.600 176.500 176.094 -0.323 0.000 1.030 493 V CA -0.105 62.070 62.300 -0.209 0.000 0.881 493 V CB 1.739 33.422 31.823 -0.234 0.000 0.983 493 V HN 1.193 nan 8.190 nan 0.000 0.445 494 A N 5.078 127.746 122.820 -0.252 0.000 2.318 494 A HA 0.812 5.135 4.320 0.005 0.000 0.324 494 A C -0.841 176.655 177.584 -0.145 0.000 1.170 494 A CA -0.465 51.444 52.037 -0.214 0.000 0.810 494 A CB 0.603 19.557 19.000 -0.077 0.000 1.198 494 A HN 0.695 nan 8.150 nan 0.000 0.484 495 F N 2.239 122.230 119.950 0.068 0.000 2.411 495 F HA 0.319 4.849 4.527 0.004 0.000 0.355 495 F C 0.853 176.678 175.800 0.041 0.000 1.117 495 F CA -0.333 57.713 58.000 0.076 0.000 1.139 495 F CB 1.132 40.213 39.000 0.136 0.000 1.120 495 F HN 0.579 nan 8.300 nan 0.000 0.493 496 E N 2.364 122.697 120.200 0.222 0.000 2.601 496 E HA 0.143 4.496 4.350 0.005 0.000 0.250 496 E C 1.105 177.745 176.600 0.066 0.000 1.099 496 E CA -0.633 55.834 56.400 0.112 0.000 0.968 496 E CB 0.480 30.222 29.700 0.070 0.000 1.290 496 E HN 0.466 nan 8.360 nan 0.000 0.505 497 K N 0.471 120.893 120.400 0.037 0.000 2.009 497 K HA -0.170 4.154 4.320 0.005 0.000 0.210 497 K C 1.752 178.340 176.600 -0.021 0.000 1.049 497 K CA 1.758 58.052 56.287 0.011 0.000 0.929 497 K CB -0.300 32.208 32.500 0.013 0.000 0.714 497 K HN 0.398 nan 8.250 nan 0.000 0.440 498 A N 1.435 124.247 122.820 -0.013 0.000 1.972 498 A HA -0.190 4.134 4.320 0.005 0.000 0.219 498 A C 1.641 179.163 177.584 -0.104 0.000 1.169 498 A CA 1.978 53.999 52.037 -0.026 0.000 0.635 498 A CB -0.492 18.513 19.000 0.007 0.000 0.810 498 A HN 0.466 nan 8.150 nan 0.000 0.446 499 D N -0.622 119.693 120.400 -0.142 0.000 2.097 499 D HA -0.084 4.559 4.640 0.005 0.000 0.197 499 D C 2.002 177.802 176.300 -0.833 0.000 0.984 499 D CA 1.874 55.603 54.000 -0.452 0.000 0.826 499 D CB -0.689 39.987 40.800 -0.207 0.000 0.973 499 D HN 0.368 nan 8.370 nan 0.000 0.460 500 T N 0.933 115.256 114.554 -0.385 0.000 2.746 500 T HA -0.128 4.225 4.350 0.005 0.000 0.267 500 T C 1.850 176.452 174.700 -0.162 0.000 1.039 500 T CA 1.178 63.146 62.100 -0.219 0.000 1.142 500 T CB -0.158 68.686 68.868 -0.041 0.000 0.866 500 T HN 0.170 nan 8.240 nan 0.000 0.444 501 E N 0.221 120.345 120.200 -0.127 0.000 2.049 501 E HA -0.141 4.212 4.350 0.005 0.000 0.198 501 E C 1.738 178.280 176.600 -0.098 0.000 1.007 501 E CA 1.295 57.649 56.400 -0.076 0.000 0.809 501 E CB -0.310 29.366 29.700 -0.040 0.000 0.749 501 E HN 0.476 nan 8.360 nan 0.000 0.450 502 F N 0.504 120.259 119.950 -0.325 0.000 2.043 502 F HA -0.276 4.254 4.527 0.005 0.000 0.297 502 F C 1.771 177.458 175.800 -0.189 0.000 1.121 502 F CA 1.762 59.544 58.000 -0.362 0.000 1.199 502 F CB -0.604 37.959 39.000 -0.729 0.000 0.968 502 F HN 0.039 nan 8.300 nan 0.000 0.478 503 F N 0.421 120.222 119.950 -0.250 0.000 2.063 503 F HA -0.370 4.159 4.527 0.004 0.000 0.298 503 F C 2.656 178.338 175.800 -0.195 0.000 1.109 503 F CA 1.468 59.299 58.000 -0.283 0.000 1.212 503 F CB -1.012 37.867 39.000 -0.203 0.000 0.973 503 F HN 0.097 nan 8.300 nan 0.000 0.480 504 Q N 0.037 119.861 119.800 0.041 0.000 2.096 504 Q HA -0.258 4.085 4.340 0.005 0.000 0.204 504 Q C 2.113 178.081 176.000 -0.052 0.000 0.982 504 Q CA 1.716 57.520 55.803 0.001 0.000 0.850 504 Q CB -0.332 28.401 28.738 -0.008 0.000 0.901 504 Q HN 0.465 nan 8.270 nan 0.000 0.422 505 E N -0.329 119.804 120.200 -0.112 0.000 2.268 505 E HA -0.181 4.172 4.350 0.005 0.000 0.195 505 E C 1.478 177.971 176.600 -0.178 0.000 0.995 505 E CA 0.509 56.825 56.400 -0.140 0.000 0.836 505 E CB 0.059 29.672 29.700 -0.147 0.000 0.763 505 E HN 0.296 nan 8.360 nan 0.000 0.491 506 F N 0.911 120.623 119.950 -0.397 0.000 2.147 506 F HA 0.185 4.715 4.527 0.004 0.000 0.291 506 F C 1.184 176.846 175.800 -0.230 0.000 1.093 506 F CA 0.834 58.595 58.000 -0.398 0.000 1.263 506 F CB -0.084 38.579 39.000 -0.562 0.000 1.036 506 F HN -0.102 nan 8.300 nan 0.000 0.481 507 A N 0.677 123.536 122.820 0.064 0.000 2.981 507 A HA 0.220 4.544 4.320 0.005 0.000 0.280 507 A C 1.115 178.665 177.584 -0.057 0.000 1.797 507 A CA 0.549 52.600 52.037 0.024 0.000 1.456 507 A CB -1.392 17.678 19.000 0.117 0.000 1.057 507 A HN 0.461 nan 8.150 nan 0.000 0.602 508 S N 0.897 116.507 115.700 -0.150 0.000 2.605 508 S HA 0.453 4.926 4.470 0.005 0.000 0.217 508 S C 1.170 175.703 174.600 -0.112 0.000 0.958 508 S CA 0.548 58.666 58.200 -0.137 0.000 0.919 508 S CB -0.601 62.489 63.200 -0.184 0.000 0.780 508 S HN 2.229 nan 8.310 nan 0.000 0.507 509 G N 1.062 109.823 108.800 -0.065 0.000 2.512 509 G HA2 -0.202 3.762 3.960 0.005 0.000 0.240 509 G HA3 -0.202 3.762 3.960 0.005 0.000 0.240 509 G C -0.255 174.607 174.900 -0.063 0.000 1.246 509 G CA -0.297 44.780 45.100 -0.039 0.000 0.919 509 G HN 0.583 nan 8.290 nan 0.000 0.577 510 T N 0.493 114.960 114.554 -0.145 0.000 2.897 510 T HA 0.445 4.799 4.350 0.005 0.000 0.294 510 T C 0.285 174.823 174.700 -0.270 0.000 1.004 510 T CA 0.396 62.333 62.100 -0.273 0.000 1.106 510 T CB 0.942 69.550 68.868 -0.432 0.000 0.949 510 T HN 0.819 nan 8.240 nan 0.000 0.520 511 C N 6.422 125.549 119.300 -0.288 0.000 2.225 511 C HA 0.274 4.738 4.460 0.005 0.000 0.328 511 C C -0.848 174.092 174.990 -0.084 0.000 1.187 511 C CA -1.450 57.472 59.018 -0.159 0.000 1.665 511 C CB 0.235 27.899 27.740 -0.127 0.000 2.253 511 C HN 0.747 nan 8.230 nan 0.000 0.497 512 P HA -0.211 nan 4.420 nan 0.000 0.214 512 P C 1.444 178.775 177.300 0.052 0.000 1.164 512 P CA 1.737 64.841 63.100 0.006 0.000 0.942 512 P CB 0.093 31.787 31.700 -0.009 0.000 0.791 513 I N -0.685 119.865 120.570 -0.033 0.000 2.118 513 I HA -0.206 3.967 4.170 0.005 0.000 0.241 513 I C -0.678 175.431 176.117 -0.014 0.000 1.070 513 I CA 2.538 63.792 61.300 -0.077 0.000 1.327 513 I CB -2.215 35.631 38.000 -0.257 0.000 1.034 513 I HN 0.120 nan 8.210 nan 0.000 0.405 514 P HA -0.183 nan 4.420 nan 0.000 0.218 514 P C 1.459 178.813 177.300 0.091 0.000 1.149 514 P CA 1.225 64.355 63.100 0.050 0.000 0.817 514 P CB -0.169 31.558 31.700 0.045 0.000 0.785 515 W N 0.948 122.183 121.300 -0.109 0.000 2.381 515 W HA -0.136 4.528 4.660 0.006 0.000 0.301 515 W C 2.210 178.721 176.519 -0.012 0.000 1.205 515 W CA 1.524 58.828 57.345 -0.068 0.000 1.285 515 W CB -0.639 28.742 29.460 -0.132 0.000 1.133 515 W HN -0.043 nan 8.180 nan 0.000 0.521 516 Q N -0.098 119.751 119.800 0.082 0.000 2.119 516 Q HA -0.208 4.135 4.340 0.005 0.000 0.201 516 Q C 1.972 177.828 176.000 -0.241 0.000 0.972 516 Q CA 1.793 57.510 55.803 -0.144 0.000 0.847 516 Q CB -0.478 28.229 28.738 -0.052 0.000 0.903 516 Q HN 0.428 nan 8.270 nan 0.000 0.433 517 E N 1.140 121.258 120.200 -0.137 0.000 2.049 517 E HA -0.255 4.098 4.350 0.005 0.000 0.198 517 E C 1.996 178.519 176.600 -0.127 0.000 1.007 517 E CA 1.251 57.577 56.400 -0.124 0.000 0.809 517 E CB -0.034 29.629 29.700 -0.061 0.000 0.749 517 E HN 0.337 nan 8.360 nan 0.000 0.450 518 E N 0.133 120.277 120.200 -0.094 0.000 2.038 518 E HA -0.244 4.109 4.350 0.005 0.000 0.195 518 E C 2.087 178.588 176.600 -0.165 0.000 1.000 518 E CA 1.217 57.575 56.400 -0.069 0.000 0.803 518 E CB 0.060 29.796 29.700 0.061 0.000 0.750 518 E HN 0.137 nan 8.360 nan 0.000 0.448 519 M N 0.420 119.806 119.600 -0.358 0.000 2.106 519 M HA -0.198 4.285 4.480 0.005 0.000 0.259 519 M C 2.336 178.547 176.300 -0.149 0.000 1.068 519 M CA 1.402 56.508 55.300 -0.324 0.000 1.100 519 M CB -0.864 31.393 32.600 -0.572 0.000 1.351 519 M HN 0.262 nan 8.290 nan 0.000 0.404 520 I N -0.638 119.806 120.570 -0.210 0.000 2.193 520 I HA -0.253 3.920 4.170 0.005 0.000 0.240 520 I C 2.178 178.253 176.117 -0.070 0.000 1.084 520 I CA 1.086 62.295 61.300 -0.152 0.000 1.365 520 I CB -0.385 37.450 38.000 -0.275 0.000 1.064 520 I HN 0.312 nan 8.210 nan 0.000 0.410 521 E N -0.099 120.053 120.200 -0.079 0.000 2.118 521 E HA -0.236 4.117 4.350 0.005 0.000 0.195 521 E C 1.959 178.545 176.600 -0.023 0.000 0.992 521 E CA 1.682 58.053 56.400 -0.049 0.000 0.804 521 E CB -0.113 29.555 29.700 -0.053 0.000 0.741 521 E HN 0.274 nan 8.360 nan 0.000 0.458 522 T N -1.774 112.769 114.554 -0.019 0.000 3.148 522 T HA 0.122 4.475 4.350 0.005 0.000 0.253 522 T C 1.262 175.979 174.700 0.029 0.000 1.134 522 T CA 0.916 63.019 62.100 0.005 0.000 1.051 522 T CB -0.104 68.771 68.868 0.012 0.000 0.959 522 T HN 0.425 nan 8.240 nan 0.000 0.525 523 G N 0.060 108.884 108.800 0.041 0.000 2.241 523 G HA2 -0.303 3.660 3.960 0.005 0.000 0.244 523 G HA3 -0.303 3.660 3.960 0.005 0.000 0.244 523 G C 1.137 176.102 174.900 0.109 0.000 0.998 523 G CA 0.462 45.604 45.100 0.070 0.000 0.621 523 G HN 0.467 nan 8.290 nan 0.000 0.519 524 V N 0.641 120.623 119.914 0.114 0.000 2.392 524 V HA -0.118 4.005 4.120 0.005 0.000 0.249 524 V C 2.204 178.464 176.094 0.275 0.000 1.059 524 V CA 2.703 65.104 62.300 0.168 0.000 1.051 524 V CB -0.630 31.291 31.823 0.163 0.000 0.658 524 V HN 0.538 nan 8.190 nan 0.000 0.455 525 F N 1.666 121.667 119.950 0.084 0.000 2.113 525 F HA 0.007 4.537 4.527 0.005 0.000 0.297 525 F C 2.254 178.172 175.800 0.195 0.000 1.103 525 F CA 1.697 59.748 58.000 0.084 0.000 1.248 525 F CB -0.901 37.919 39.000 -0.300 0.000 0.999 525 F HN 0.150 nan 8.300 nan 0.000 0.475 526 G N 0.137 109.077 108.800 0.232 0.000 2.513 526 G HA2 -0.335 3.628 3.960 0.005 0.000 0.219 526 G HA3 -0.335 3.628 3.960 0.005 0.000 0.219 526 G C 1.332 176.262 174.900 0.050 0.000 1.160 526 G CA 1.373 46.548 45.100 0.125 0.000 0.767 526 G HN 0.372 nan 8.290 nan 0.000 0.571 527 D N 0.363 120.810 120.400 0.080 0.000 2.084 527 D HA -0.028 4.615 4.640 0.005 0.000 0.196 527 D C 2.578 178.905 176.300 0.044 0.000 0.985 527 D CA 0.397 54.434 54.000 0.062 0.000 0.826 527 D CB -0.386 40.456 40.800 0.070 0.000 0.978 527 D HN 0.224 nan 8.370 nan 0.000 0.456 528 L N 0.518 121.789 121.223 0.080 0.000 2.465 528 L HA -0.068 4.275 4.340 0.005 0.000 0.224 528 L C 1.585 178.444 176.870 -0.018 0.000 1.145 528 L CA 0.693 55.546 54.840 0.023 0.000 0.834 528 L CB -0.345 41.718 42.059 0.007 0.000 0.944 528 L HN 0.003 nan 8.230 nan 0.000 0.451 529 N N -0.499 118.181 118.700 -0.034 0.000 2.392 529 N HA -0.044 4.699 4.740 0.005 0.000 0.177 529 N C 0.584 176.123 175.510 0.048 0.000 1.066 529 N CA -0.040 52.978 53.050 -0.053 0.000 0.895 529 N CB 0.503 38.746 38.487 -0.406 0.000 0.988 529 N HN -0.005 nan 8.380 nan 0.000 0.457 530 V N 0.935 120.878 119.914 0.048 0.000 2.843 530 V HA -0.143 3.980 4.120 0.005 0.000 0.305 530 V C 0.963 177.146 176.094 0.149 0.000 1.120 530 V CA 0.607 62.968 62.300 0.101 0.000 1.254 530 V CB 0.516 32.375 31.823 0.059 0.000 0.901 530 V HN 0.452 nan 8.190 nan 0.000 0.503 531 W N 7.114 128.419 121.300 0.009 0.000 2.726 531 W HA 0.209 4.872 4.660 0.006 0.000 0.285 531 W C 0.935 177.452 176.519 -0.003 0.000 1.110 531 W CA 0.661 58.005 57.345 -0.001 0.000 1.579 531 W CB 0.230 29.697 29.460 0.011 0.000 1.118 531 W HN 0.697 nan 8.180 nan 0.000 0.556 532 R N 2.127 122.735 120.500 0.179 0.000 2.476 532 R HA 0.511 4.854 4.340 0.005 0.000 0.305 532 R C -2.696 173.639 176.300 0.058 0.000 0.965 532 R CA -1.239 54.889 56.100 0.045 0.000 0.867 532 R CB 1.060 31.446 30.300 0.144 0.000 1.176 532 R HN -0.187 nan 8.270 nan 0.000 0.447 533 P HA 0.000 nan 4.420 nan 0.000 0.216 533 P CA 0.000 63.108 63.100 0.014 0.000 0.800 533 P CB 0.000 31.693 31.700 -0.012 0.000 0.726