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 1eqr_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRTEYCGQLR LSHVGQQVTL CGWVNRRRDL GSLIFIDMRD REGIVQVFFD DATA SEQUENCE PDRADALKLA SELRNEFCIQ VTGTVRARDE KNINRDMATG EIEVLASSLT DATA SEQUENCE IINRADVLPL DSNHVNTEEA RLKYRYLDLR RPEMAQRLKT RAKITSLVRR DATA SEQUENCE FMDDHGFLDI ETPMLTKATP EGARDYLVPS RVHKGKFYAL PQSPQLFKQL DATA SEQUENCE LMMSGFDRYY QIVKCFRDED LRADRQPEFT QIDVETSFMT APQVREVMEA DATA SEQUENCE LVRHLWLEVK GVDLGDFPVM TFAEAERRYG SDKPDLRNPM ELTDVADLLK DATA SEQUENCE SVEFAVFAGP ANDPKGRVAA LRVPGGASLT RKQIDEYGNF VKIYGAKGLA DATA SEQUENCE YIKVNERAKG LEGINSPVAK FLNAEIIEDI LDRTAAQDGD MIFFGADNKK DATA SEQUENCE IVADAMGALR LKVGKDLGLT DESKWAPLWV IDFPMFEDDG EGGLTAMHHP DATA SEQUENCE FTSPKDMTAA ELKAAPENAV ANAYDMVING YEVGGGSVRI HNGDMQQTVF DATA SEQUENCE GILGINEEEQ REKFGFLLDA LKYGTPPHAG LAFGLDRLTM LLTGTDNIRD DATA SEQUENCE VIAFPKTTAA ACLMTEAPSF ANPTALAELS IQVVKKAENN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.245 176.300 -0.092 0.000 1.140 1 M CA 0.000 55.259 55.300 -0.068 0.000 0.988 1 M CB 0.000 32.571 32.600 -0.049 0.000 1.302 2 R N -0.588 119.832 120.500 -0.134 0.000 2.615 2 R HA 0.585 4.928 4.340 0.005 0.000 0.270 2 R C 0.184 176.387 176.300 -0.162 0.000 1.081 2 R CA -0.376 55.619 56.100 -0.175 0.000 1.154 2 R CB 0.923 31.049 30.300 -0.289 0.000 1.063 2 R HN 0.378 nan 8.270 nan 0.000 0.519 3 T N -0.792 113.674 114.554 -0.146 0.000 2.990 3 T HA 0.145 4.498 4.350 0.005 0.000 0.250 3 T C -0.653 173.974 174.700 -0.121 0.000 1.041 3 T CA 0.364 62.401 62.100 -0.106 0.000 1.010 3 T CB 0.085 68.911 68.868 -0.069 0.000 1.003 3 T HN 0.696 nan 8.240 nan 0.000 0.499 4 E N -0.981 119.111 120.200 -0.179 0.000 2.429 4 E HA 0.432 4.785 4.350 0.005 0.000 0.280 4 E C -2.071 174.400 176.600 -0.215 0.000 1.068 4 E CA -0.702 55.604 56.400 -0.156 0.000 0.837 4 E CB 1.207 30.823 29.700 -0.141 0.000 1.357 4 E HN 0.098 nan 8.360 nan 0.000 0.455 5 Y N 0.908 121.188 120.300 -0.034 0.000 2.330 5 Y HA 0.191 4.744 4.550 0.004 0.000 0.336 5 Y C 1.171 177.061 175.900 -0.017 0.000 1.036 5 Y CA -0.588 57.509 58.100 -0.005 0.000 1.125 5 Y CB 0.883 39.354 38.460 0.017 0.000 1.194 5 Y HN 0.677 nan 8.280 nan 0.000 0.469 6 C N 1.913 121.304 119.300 0.151 0.000 2.304 6 C HA -0.316 4.147 4.460 0.005 0.000 0.269 6 C C 2.654 177.692 174.990 0.080 0.000 1.136 6 C CA 2.137 61.211 59.018 0.094 0.000 1.796 6 C CB -1.303 26.509 27.740 0.121 0.000 2.017 6 C HN 1.206 nan 8.230 nan 0.000 0.431 7 G N -1.223 107.639 108.800 0.104 0.000 2.882 7 G HA2 -0.051 3.912 3.960 0.005 0.000 0.206 7 G HA3 -0.051 3.912 3.960 0.005 0.000 0.206 7 G C 1.365 176.302 174.900 0.062 0.000 1.155 7 G CA 0.169 45.311 45.100 0.070 0.000 0.800 7 G HN 0.794 nan 8.290 nan 0.000 0.524 8 Q N -0.503 119.339 119.800 0.070 0.000 2.282 8 Q HA 0.273 4.616 4.340 0.005 0.000 0.206 8 Q C 0.365 176.412 176.000 0.078 0.000 0.878 8 Q CA -0.291 55.558 55.803 0.078 0.000 0.944 8 Q CB 0.606 29.406 28.738 0.104 0.000 1.100 8 Q HN 0.392 nan 8.270 nan 0.000 0.509 9 L N 1.839 123.068 121.223 0.010 0.000 2.426 9 L HA 0.189 4.532 4.340 0.005 0.000 0.271 9 L C 0.473 177.458 176.870 0.192 0.000 1.169 9 L CA 0.255 55.109 54.840 0.024 0.000 0.836 9 L CB 0.152 42.183 42.059 -0.046 0.000 1.112 9 L HN 0.004 nan 8.230 nan 0.000 0.465 10 R N 1.500 122.222 120.500 0.369 0.000 2.846 10 R HA 0.296 4.639 4.340 0.005 0.000 0.263 10 R C 0.454 176.831 176.300 0.127 0.000 1.080 10 R CA -0.950 55.258 56.100 0.180 0.000 0.961 10 R CB 0.611 30.983 30.300 0.120 0.000 1.231 10 R HN 0.305 nan 8.270 nan 0.000 0.465 11 L N 1.354 122.609 121.223 0.054 0.000 2.129 11 L HA -0.144 4.199 4.340 0.005 0.000 0.212 11 L C 2.032 178.904 176.870 0.002 0.000 1.087 11 L CA 2.187 57.044 54.840 0.029 0.000 0.757 11 L CB -1.214 40.851 42.059 0.011 0.000 0.896 11 L HN 0.766 nan 8.230 nan 0.000 0.434 12 S N -3.091 112.574 115.700 -0.058 0.000 2.603 12 S HA -0.105 4.368 4.470 0.005 0.000 0.229 12 S C 1.528 176.004 174.600 -0.206 0.000 0.972 12 S CA 0.453 58.569 58.200 -0.140 0.000 0.935 12 S CB -0.654 62.424 63.200 -0.204 0.000 0.769 12 S HN 0.587 nan 8.310 nan 0.000 0.536 13 H N 0.008 119.085 119.070 0.013 0.000 2.648 13 H HA 0.379 4.938 4.556 0.004 0.000 0.265 13 H C 0.141 175.476 175.328 0.010 0.000 0.961 13 H CA -0.143 55.913 56.048 0.013 0.000 1.185 13 H CB 0.438 30.210 29.762 0.016 0.000 1.449 13 H HN 0.201 nan 8.280 nan 0.000 0.523 14 V N 1.266 121.242 119.914 0.104 0.000 2.625 14 V HA -0.023 4.101 4.120 0.005 0.000 0.305 14 V C 1.539 177.663 176.094 0.050 0.000 1.055 14 V CA 1.679 64.018 62.300 0.065 0.000 1.209 14 V CB 0.069 31.916 31.823 0.040 0.000 0.877 14 V HN 0.852 nan 8.190 nan 0.000 0.489 15 G N 3.265 112.091 108.800 0.043 0.000 2.234 15 G HA2 -0.208 3.755 3.960 0.005 0.000 0.235 15 G HA3 -0.208 3.755 3.960 0.005 0.000 0.235 15 G C 0.152 175.072 174.900 0.034 0.000 0.997 15 G CA 0.097 45.216 45.100 0.031 0.000 0.623 15 G HN 0.674 nan 8.290 nan 0.000 0.514 16 Q N 0.791 120.622 119.800 0.052 0.000 2.267 16 Q HA 0.466 4.809 4.340 0.005 0.000 0.255 16 Q C 0.179 176.196 176.000 0.028 0.000 0.923 16 Q CA -0.175 55.659 55.803 0.052 0.000 0.925 16 Q CB 1.271 30.069 28.738 0.100 0.000 1.195 16 Q HN 0.532 nan 8.270 nan 0.000 0.417 17 Q N 1.930 121.738 119.800 0.013 0.000 2.259 17 Q HA 0.455 4.799 4.340 0.005 0.000 0.246 17 Q C -0.840 175.151 176.000 -0.014 0.000 0.920 17 Q CA -0.511 55.289 55.803 -0.005 0.000 0.895 17 Q CB 1.195 29.928 28.738 -0.008 0.000 1.220 17 Q HN 0.559 nan 8.270 nan 0.000 0.439 18 V N -0.289 119.606 119.914 -0.031 0.000 3.160 18 V HA 0.755 4.878 4.120 0.005 0.000 0.310 18 V C -0.883 175.179 176.094 -0.053 0.000 1.181 18 V CA -0.690 61.581 62.300 -0.049 0.000 1.047 18 V CB 2.292 34.070 31.823 -0.074 0.000 1.068 18 V HN 0.752 nan 8.190 nan 0.000 0.441 19 T N 3.148 117.663 114.554 -0.066 0.000 2.881 19 T HA 0.724 5.077 4.350 0.005 0.000 0.291 19 T C -0.754 173.892 174.700 -0.090 0.000 0.990 19 T CA -0.212 61.847 62.100 -0.067 0.000 0.976 19 T CB 0.839 69.669 68.868 -0.064 0.000 0.970 19 T HN 0.701 nan 8.240 nan 0.000 0.438 20 L N 2.267 123.443 121.223 -0.079 0.000 2.365 20 L HA 0.683 5.026 4.340 0.005 0.000 0.273 20 L C -0.575 176.242 176.870 -0.089 0.000 1.000 20 L CA -0.921 53.867 54.840 -0.087 0.000 0.819 20 L CB 1.838 43.866 42.059 -0.052 0.000 1.284 20 L HN 0.600 nan 8.230 nan 0.000 0.418 21 C N 2.255 121.484 119.300 -0.119 0.000 2.345 21 C HA 0.972 5.435 4.460 0.005 0.000 0.323 21 C C 0.740 175.625 174.990 -0.175 0.000 1.276 21 C CA -0.344 58.575 59.018 -0.165 0.000 1.543 21 C CB 0.368 28.003 27.740 -0.175 0.000 2.211 21 C HN 1.058 nan 8.230 nan 0.000 0.493 22 G N 1.863 110.478 108.800 -0.308 0.000 2.435 22 G HA2 0.529 4.492 3.960 0.005 0.000 0.296 22 G HA3 0.529 4.492 3.960 0.005 0.000 0.296 22 G C -1.945 172.708 174.900 -0.412 0.000 1.240 22 G CA -0.393 44.562 45.100 -0.241 0.000 0.872 22 G HN 0.613 nan 8.290 nan 0.000 0.480 23 W N -0.331 121.032 121.300 0.104 0.000 2.799 23 W HA 0.574 5.237 4.660 0.004 0.000 0.349 23 W C -0.520 176.075 176.519 0.127 0.000 1.100 23 W CA -0.695 56.723 57.345 0.122 0.000 1.174 23 W CB 2.027 31.555 29.460 0.112 0.000 1.427 23 W HN 0.298 nan 8.180 nan 0.000 0.547 24 V N 2.036 122.161 119.914 0.353 0.000 2.455 24 V HA -0.070 4.053 4.120 0.005 0.000 0.273 24 V C 0.599 176.832 176.094 0.232 0.000 1.045 24 V CA 0.332 62.779 62.300 0.245 0.000 0.976 24 V CB 0.839 32.772 31.823 0.182 0.000 0.993 24 V HN 0.574 nan 8.190 nan 0.000 0.475 25 N N 3.709 122.519 118.700 0.183 0.000 2.402 25 N HA 0.103 4.846 4.740 0.005 0.000 0.174 25 N C 0.595 176.168 175.510 0.105 0.000 1.027 25 N CA 0.390 53.524 53.050 0.140 0.000 0.891 25 N CB 0.401 38.958 38.487 0.117 0.000 1.016 25 N HN 0.756 nan 8.380 nan 0.000 0.439 26 R N -0.437 120.125 120.500 0.103 0.000 2.663 26 R HA 0.378 4.721 4.340 0.005 0.000 0.267 26 R C -1.825 174.532 176.300 0.095 0.000 1.038 26 R CA -0.752 55.396 56.100 0.081 0.000 0.886 26 R CB 1.204 31.541 30.300 0.062 0.000 1.249 26 R HN -0.033 nan 8.270 nan 0.000 0.463 27 R N 2.369 122.916 120.500 0.079 0.000 2.621 27 R HA 0.517 4.860 4.340 0.005 0.000 0.284 27 R C -1.269 175.090 176.300 0.099 0.000 0.998 27 R CA -0.810 55.348 56.100 0.097 0.000 0.895 27 R CB 1.618 31.943 30.300 0.042 0.000 1.195 27 R HN 0.571 nan 8.270 nan 0.000 0.450 28 R N 1.917 122.512 120.500 0.158 0.000 2.698 28 R HA 0.368 4.711 4.340 0.005 0.000 0.275 28 R C -1.517 174.920 176.300 0.228 0.000 1.001 28 R CA -0.899 55.292 56.100 0.153 0.000 0.896 28 R CB 2.075 32.446 30.300 0.119 0.000 1.218 28 R HN 0.648 nan 8.270 nan 0.000 0.462 29 D N 1.069 121.573 120.400 0.174 0.000 2.342 29 D HA 0.422 5.065 4.640 0.005 0.000 0.243 29 D C -0.711 175.707 176.300 0.196 0.000 1.019 29 D CA -0.429 53.684 54.000 0.188 0.000 0.864 29 D CB 2.035 42.898 40.800 0.105 0.000 1.315 29 D HN 0.171 nan 8.370 nan 0.000 0.468 30 L N 2.661 124.027 121.223 0.237 0.000 2.433 30 L HA 0.509 4.852 4.340 0.005 0.000 0.256 30 L C 0.816 177.777 176.870 0.152 0.000 1.063 30 L CA 0.006 54.969 54.840 0.205 0.000 0.922 30 L CB -0.203 42.040 42.059 0.308 0.000 1.238 30 L HN 0.678 nan 8.230 nan 0.000 0.466 31 G N 2.662 111.522 108.800 0.100 0.000 2.574 31 G HA2 -0.428 3.535 3.960 0.005 0.000 0.301 31 G HA3 -0.428 3.535 3.960 0.005 0.000 0.301 31 G C 0.717 175.655 174.900 0.064 0.000 1.166 31 G CA 0.668 45.811 45.100 0.072 0.000 0.971 31 G HN 0.953 nan 8.290 nan 0.000 0.542 32 S N 0.401 116.134 115.700 0.055 0.000 2.535 32 S HA 0.494 4.967 4.470 0.005 0.000 0.214 32 S C 1.091 175.708 174.600 0.030 0.000 0.980 32 S CA 0.501 58.718 58.200 0.028 0.000 0.907 32 S CB -0.045 63.159 63.200 0.006 0.000 0.790 32 S HN 0.731 nan 8.310 nan 0.000 0.510 33 L N 2.446 123.719 121.223 0.083 0.000 2.360 33 L HA 0.459 4.802 4.340 0.005 0.000 0.276 33 L C -0.329 176.618 176.870 0.129 0.000 1.121 33 L CA -0.209 54.694 54.840 0.105 0.000 0.845 33 L CB 0.529 42.780 42.059 0.321 0.000 1.143 33 L HN 0.235 nan 8.230 nan 0.000 0.452 34 I N 3.396 124.010 120.570 0.072 0.000 2.339 34 I HA 0.320 4.493 4.170 0.005 0.000 0.290 34 I C -0.581 175.663 176.117 0.212 0.000 0.994 34 I CA -0.268 61.125 61.300 0.156 0.000 1.191 34 I CB 1.266 39.331 38.000 0.108 0.000 1.343 34 I HN 0.338 nan 8.210 nan 0.000 0.458 35 F N 6.745 126.892 119.950 0.328 0.000 2.436 35 F HA 0.601 5.131 4.527 0.005 0.000 0.340 35 F C 0.071 175.987 175.800 0.194 0.000 1.113 35 F CA -0.471 57.683 58.000 0.256 0.000 1.022 35 F CB 1.475 40.525 39.000 0.084 0.000 1.128 35 F HN 0.227 nan 8.300 nan 0.000 0.466 36 I N 2.546 123.338 120.570 0.370 0.000 2.619 36 I HA 0.217 4.390 4.170 0.005 0.000 0.292 36 I C -1.219 175.018 176.117 0.200 0.000 1.100 36 I CA -0.760 60.699 61.300 0.265 0.000 1.043 36 I CB 1.978 40.162 38.000 0.308 0.000 1.239 36 I HN 0.375 nan 8.210 nan 0.000 0.420 37 D N 7.588 128.081 120.400 0.156 0.000 2.422 37 D HA 0.244 4.887 4.640 0.005 0.000 0.227 37 D C -0.265 176.117 176.300 0.138 0.000 1.190 37 D CA 0.107 54.181 54.000 0.122 0.000 0.905 37 D CB 0.961 41.817 40.800 0.094 0.000 1.034 37 D HN 0.327 nan 8.370 nan 0.000 0.507 38 M N 3.094 122.775 119.600 0.134 0.000 2.120 38 M HA 0.174 4.657 4.480 0.005 0.000 0.354 38 M C -0.074 176.322 176.300 0.161 0.000 1.287 38 M CA -0.312 55.079 55.300 0.151 0.000 1.103 38 M CB 0.804 33.476 32.600 0.120 0.000 1.623 38 M HN 0.102 nan 8.290 nan 0.000 0.471 39 R N 3.774 124.407 120.500 0.221 0.000 2.664 39 R HA 0.504 4.847 4.340 0.005 0.000 0.286 39 R C -1.552 174.970 176.300 0.370 0.000 0.967 39 R CA -0.451 55.793 56.100 0.240 0.000 0.933 39 R CB 1.280 31.701 30.300 0.202 0.000 1.146 39 R HN 0.847 nan 8.270 nan 0.000 0.468 40 D N 1.593 122.180 120.400 0.311 0.000 2.752 40 D HA 0.092 4.735 4.640 0.005 0.000 0.313 40 D C 0.344 176.787 176.300 0.238 0.000 1.225 40 D CA -0.793 53.451 54.000 0.407 0.000 0.976 40 D CB 0.444 41.495 40.800 0.419 0.000 1.443 40 D HN 0.535 nan 8.370 nan 0.000 0.515 41 R N -0.371 120.260 120.500 0.219 0.000 2.200 41 R HA -0.045 4.298 4.340 0.005 0.000 0.234 41 R C 0.881 177.165 176.300 -0.025 0.000 1.127 41 R CA 1.502 57.633 56.100 0.051 0.000 0.989 41 R CB -0.482 29.821 30.300 0.006 0.000 0.869 41 R HN 0.306 nan 8.270 nan 0.000 0.459 42 E N 0.245 120.440 120.200 -0.009 0.000 2.385 42 E HA 0.214 4.567 4.350 0.005 0.000 0.194 42 E C 0.711 177.320 176.600 0.013 0.000 1.013 42 E CA 0.948 57.323 56.400 -0.042 0.000 0.866 42 E CB 0.743 30.419 29.700 -0.041 0.000 0.832 42 E HN 0.548 nan 8.360 nan 0.000 0.500 43 G N 0.259 109.091 108.800 0.053 0.000 2.325 43 G HA2 0.015 3.978 3.960 0.005 0.000 0.285 43 G HA3 0.015 3.978 3.960 0.005 0.000 0.285 43 G C -1.144 173.802 174.900 0.077 0.000 1.303 43 G CA -0.757 44.373 45.100 0.049 0.000 0.970 43 G HN -0.005 nan 8.290 nan 0.000 0.490 44 I N 0.085 120.692 120.570 0.062 0.000 2.437 44 I HA 0.692 4.865 4.170 0.005 0.000 0.298 44 I C -0.121 176.034 176.117 0.063 0.000 0.984 44 I CA -1.125 60.219 61.300 0.073 0.000 1.214 44 I CB 1.495 39.534 38.000 0.065 0.000 1.365 44 I HN 0.482 nan 8.210 nan 0.000 0.469 45 V N 5.585 125.542 119.914 0.070 0.000 2.709 45 V HA 0.281 4.404 4.120 0.005 0.000 0.308 45 V C -0.493 175.639 176.094 0.063 0.000 1.062 45 V CA -0.442 61.892 62.300 0.056 0.000 0.901 45 V CB 2.155 34.005 31.823 0.044 0.000 1.003 45 V HN 0.908 nan 8.190 nan 0.000 0.425 46 Q N 4.182 124.019 119.800 0.061 0.000 2.288 46 Q HA 0.554 4.897 4.340 0.005 0.000 0.258 46 Q C -1.307 174.746 176.000 0.089 0.000 0.957 46 Q CA -0.079 55.778 55.803 0.090 0.000 0.919 46 Q CB 1.674 30.460 28.738 0.081 0.000 1.185 46 Q HN 0.735 nan 8.270 nan 0.000 0.408 47 V N 6.507 126.471 119.914 0.084 0.000 2.540 47 V HA 0.598 4.721 4.120 0.005 0.000 0.302 47 V C -1.706 174.342 176.094 -0.075 0.000 1.035 47 V CA -0.713 61.553 62.300 -0.058 0.000 0.873 47 V CB 1.463 33.185 31.823 -0.168 0.000 0.992 47 V HN 0.792 nan 8.190 nan 0.000 0.428 48 F N 7.474 127.178 119.950 -0.410 0.000 2.482 48 F HA 0.717 5.247 4.527 0.005 0.000 0.331 48 F C -1.196 174.205 175.800 -0.665 0.000 1.115 48 F CA -1.925 55.759 58.000 -0.525 0.000 0.955 48 F CB 1.689 40.464 39.000 -0.374 0.000 1.136 48 F HN 0.443 nan 8.300 nan 0.000 0.452 49 F N 4.956 124.574 119.950 -0.553 0.000 2.308 49 F HA 0.282 4.812 4.527 0.005 0.000 0.370 49 F C 0.092 175.372 175.800 -0.866 0.000 1.100 49 F CA -0.573 57.101 58.000 -0.544 0.000 1.108 49 F CB 0.767 39.596 39.000 -0.286 0.000 1.293 49 F HN 0.349 nan 8.300 nan 0.000 0.478 50 D N 4.539 124.463 120.400 -0.794 0.000 2.739 50 D HA 0.212 4.855 4.640 0.005 0.000 0.335 50 D C -2.567 173.539 176.300 -0.322 0.000 1.216 50 D CA -1.613 51.960 54.000 -0.712 0.000 0.808 50 D CB 0.659 40.796 40.800 -1.105 0.000 1.121 50 D HN 0.142 nan 8.370 nan 0.000 0.499 51 P HA 0.317 nan 4.420 nan 0.000 0.282 51 P C -0.380 176.867 177.300 -0.089 0.000 1.249 51 P CA -0.307 62.725 63.100 -0.114 0.000 0.806 51 P CB 1.465 33.120 31.700 -0.075 0.000 0.984 52 D N 2.076 122.438 120.400 -0.063 0.000 3.139 52 D HA 0.175 4.818 4.640 0.005 0.000 0.268 52 D C 0.416 176.696 176.300 -0.034 0.000 1.322 52 D CA 0.242 54.217 54.000 -0.043 0.000 0.940 52 D CB 0.209 40.990 40.800 -0.031 0.000 1.050 52 D HN 0.365 nan 8.370 nan 0.000 0.503 53 R N -0.341 120.136 120.500 -0.038 0.000 2.563 53 R HA 0.369 4.712 4.340 0.005 0.000 0.262 53 R C -0.466 175.813 176.300 -0.036 0.000 1.128 53 R CA -0.499 55.582 56.100 -0.032 0.000 0.969 53 R CB 0.860 31.142 30.300 -0.030 0.000 1.251 53 R HN -0.050 nan 8.270 nan 0.000 0.442 54 A N 2.729 125.531 122.820 -0.030 0.000 2.206 54 A HA -0.002 4.321 4.320 0.005 0.000 0.211 54 A C 0.550 178.113 177.584 -0.035 0.000 1.158 54 A CA 1.246 53.263 52.037 -0.033 0.000 0.761 54 A CB -0.210 18.774 19.000 -0.026 0.000 0.801 54 A HN 0.834 nan 8.150 nan 0.000 0.473 55 D N 0.723 121.105 120.400 -0.032 0.000 2.096 55 D HA 0.042 4.685 4.640 0.005 0.000 0.207 55 D C 2.314 178.592 176.300 -0.038 0.000 0.976 55 D CA 1.630 55.612 54.000 -0.031 0.000 0.875 55 D CB -0.668 40.117 40.800 -0.025 0.000 1.009 55 D HN 0.286 nan 8.370 nan 0.000 0.449 56 A N 1.288 124.087 122.820 -0.036 0.000 1.929 56 A HA -0.235 4.088 4.320 0.005 0.000 0.221 56 A C 2.074 179.625 177.584 -0.055 0.000 1.211 56 A CA 1.437 53.452 52.037 -0.038 0.000 0.657 56 A CB -1.010 17.972 19.000 -0.031 0.000 0.827 56 A HN 0.287 nan 8.150 nan 0.000 0.462 57 L N -0.480 120.704 121.223 -0.065 0.000 1.944 57 L HA -0.276 4.067 4.340 0.005 0.000 0.218 57 L C 2.117 178.910 176.870 -0.129 0.000 1.075 57 L CA 2.877 57.658 54.840 -0.098 0.000 0.767 57 L CB -1.325 40.683 42.059 -0.084 0.000 0.890 57 L HN 0.564 nan 8.230 nan 0.000 0.434 58 K N -0.899 119.444 120.400 -0.095 0.000 2.413 58 K HA -0.347 3.976 4.320 0.005 0.000 0.205 58 K C 1.835 178.363 176.600 -0.120 0.000 0.830 58 K CA 2.886 59.119 56.287 -0.090 0.000 0.991 58 K CB -1.117 31.345 32.500 -0.062 0.000 1.171 58 K HN 0.280 nan 8.250 nan 0.000 0.553 59 L N 0.164 121.310 121.223 -0.128 0.000 1.963 59 L HA -0.283 4.060 4.340 0.005 0.000 0.220 59 L C 2.602 179.326 176.870 -0.243 0.000 1.076 59 L CA 2.322 57.074 54.840 -0.147 0.000 0.772 59 L CB -1.086 40.890 42.059 -0.138 0.000 0.892 59 L HN 0.401 nan 8.230 nan 0.000 0.435 60 A N 0.015 122.592 122.820 -0.405 0.000 1.958 60 A HA -0.284 4.039 4.320 0.005 0.000 0.221 60 A C 2.448 179.797 177.584 -0.392 0.000 1.178 60 A CA 2.522 54.175 52.037 -0.640 0.000 0.642 60 A CB -1.174 17.212 19.000 -1.023 0.000 0.816 60 A HN 0.622 nan 8.150 nan 0.000 0.453 61 S N -0.581 114.968 115.700 -0.252 0.000 2.507 61 S HA -0.077 4.396 4.470 0.005 0.000 0.235 61 S C 1.385 175.886 174.600 -0.166 0.000 0.988 61 S CA 1.094 59.193 58.200 -0.168 0.000 0.944 61 S CB -0.233 62.901 63.200 -0.110 0.000 0.762 61 S HN 0.702 nan 8.310 nan 0.000 0.526 62 E N 0.842 120.928 120.200 -0.190 0.000 2.250 62 E HA 0.196 4.549 4.350 0.005 0.000 0.192 62 E C 0.191 176.551 176.600 -0.399 0.000 0.986 62 E CA -0.141 56.153 56.400 -0.176 0.000 0.849 62 E CB -0.095 29.566 29.700 -0.066 0.000 0.797 62 E HN 0.548 nan 8.360 nan 0.000 0.482 63 L N 2.112 123.050 121.223 -0.474 0.000 2.543 63 L HA -0.040 4.303 4.340 0.005 0.000 0.285 63 L C 0.646 177.000 176.870 -0.860 0.000 1.236 63 L CA 0.895 55.281 54.840 -0.758 0.000 0.871 63 L CB 0.009 41.844 42.059 -0.373 0.000 1.121 63 L HN -0.013 nan 8.230 nan 0.000 0.501 64 R N 1.540 121.238 120.500 -1.337 0.000 2.846 64 R HA 0.314 4.657 4.340 0.005 0.000 0.263 64 R C -0.851 175.392 176.300 -0.095 0.000 1.080 64 R CA -1.143 54.613 56.100 -0.572 0.000 0.961 64 R CB 0.984 31.058 30.300 -0.378 0.000 1.231 64 R HN 0.525 nan 8.270 nan 0.000 0.465 65 N N 2.464 121.218 118.700 0.090 0.000 2.411 65 N HA -0.054 4.689 4.740 0.005 0.000 0.265 65 N C -0.592 175.109 175.510 0.318 0.000 1.266 65 N CA 0.536 53.695 53.050 0.181 0.000 0.889 65 N CB 0.324 38.888 38.487 0.128 0.000 1.069 65 N HN 0.503 nan 8.380 nan 0.000 0.476 66 E N 0.497 120.900 120.200 0.338 0.000 3.547 66 E HA -0.202 4.151 4.350 0.005 0.000 0.309 66 E C -0.865 176.043 176.600 0.513 0.000 0.855 66 E CA 0.669 57.311 56.400 0.403 0.000 1.122 66 E CB -1.522 28.335 29.700 0.262 0.000 1.569 66 E HN 0.407 nan 8.360 nan 0.000 0.429 67 F N 0.490 120.558 119.950 0.198 0.000 2.484 67 F HA 0.139 4.669 4.527 0.005 0.000 0.360 67 F C 1.354 177.192 175.800 0.063 0.000 1.101 67 F CA -0.588 57.484 58.000 0.120 0.000 1.251 67 F CB 0.701 39.735 39.000 0.056 0.000 1.132 67 F HN 0.098 nan 8.300 nan 0.000 0.570 68 C N 8.011 127.329 119.300 0.030 0.000 2.246 68 C HA 0.752 5.215 4.460 0.005 0.000 0.329 68 C C -0.223 174.647 174.990 -0.200 0.000 1.221 68 C CA -0.531 58.285 59.018 -0.337 0.000 1.697 68 C CB -2.332 25.187 27.740 -0.369 0.000 2.312 68 C HN 0.608 nan 8.230 nan 0.000 0.509 69 I N 3.431 123.884 120.570 -0.196 0.000 3.042 69 I HA 0.667 4.840 4.170 0.005 0.000 0.310 69 I C -0.787 175.264 176.117 -0.111 0.000 1.117 69 I CA -0.795 60.453 61.300 -0.085 0.000 1.003 69 I CB 1.710 39.729 38.000 0.032 0.000 1.228 69 I HN 0.649 nan 8.210 nan 0.000 0.443 70 Q N 2.743 122.508 119.800 -0.060 0.000 2.333 70 Q HA 0.809 5.153 4.340 0.005 0.000 0.267 70 Q C -1.643 174.358 176.000 0.001 0.000 1.012 70 Q CA -0.831 54.939 55.803 -0.054 0.000 0.824 70 Q CB 2.282 30.982 28.738 -0.064 0.000 1.290 70 Q HN 1.020 nan 8.270 nan 0.000 0.449 71 V N 0.777 120.696 119.914 0.007 0.000 2.841 71 V HA 0.834 4.957 4.120 0.005 0.000 0.310 71 V C -1.079 175.010 176.094 -0.009 0.000 1.090 71 V CA -0.144 62.179 62.300 0.038 0.000 0.930 71 V CB 1.927 33.805 31.823 0.091 0.000 1.014 71 V HN 0.843 nan 8.190 nan 0.000 0.425 72 T N 2.659 117.207 114.554 -0.011 0.000 2.812 72 T HA 0.912 5.265 4.350 0.005 0.000 0.282 72 T C -0.007 174.669 174.700 -0.040 0.000 0.990 72 T CA 0.441 62.523 62.100 -0.031 0.000 0.960 72 T CB 0.709 69.560 68.868 -0.028 0.000 0.948 72 T HN 1.922 nan 8.240 nan 0.000 0.438 73 G N 2.084 110.852 108.800 -0.053 0.000 2.749 73 G HA2 0.662 4.625 3.960 0.005 0.000 0.300 73 G HA3 0.662 4.625 3.960 0.005 0.000 0.300 73 G C -1.126 173.748 174.900 -0.044 0.000 1.352 73 G CA -0.739 44.323 45.100 -0.063 0.000 0.789 73 G HN 0.798 nan 8.290 nan 0.000 0.509 74 T N 0.092 114.624 114.554 -0.037 0.000 2.855 74 T HA 0.563 4.916 4.350 0.005 0.000 0.281 74 T C -0.040 174.659 174.700 -0.002 0.000 1.007 74 T CA -0.323 61.768 62.100 -0.014 0.000 1.009 74 T CB 1.892 70.756 68.868 -0.006 0.000 0.983 74 T HN 0.396 nan 8.240 nan 0.000 0.455 75 V N 4.132 124.055 119.914 0.015 0.000 2.649 75 V HA 0.596 4.719 4.120 0.005 0.000 0.292 75 V C 0.439 176.558 176.094 0.042 0.000 1.055 75 V CA -0.304 62.016 62.300 0.034 0.000 1.023 75 V CB 0.637 32.497 31.823 0.063 0.000 0.992 75 V HN 0.917 nan 8.190 nan 0.000 0.480 76 R N 3.143 123.671 120.500 0.046 0.000 2.734 76 R HA 0.815 5.158 4.340 0.005 0.000 0.271 76 R C -0.919 175.407 176.300 0.044 0.000 1.021 76 R CA -0.822 55.305 56.100 0.045 0.000 0.893 76 R CB 1.686 32.014 30.300 0.048 0.000 1.244 76 R HN 0.675 nan 8.270 nan 0.000 0.464 77 A N 1.920 124.761 122.820 0.035 0.000 2.440 77 A HA 0.338 4.661 4.320 0.005 0.000 0.251 77 A C -0.129 177.468 177.584 0.022 0.000 1.089 77 A CA -0.399 51.654 52.037 0.026 0.000 0.779 77 A CB 0.211 19.223 19.000 0.019 0.000 1.022 77 A HN 0.641 nan 8.150 nan 0.000 0.492 78 R N 1.642 122.149 120.500 0.012 0.000 2.490 78 R HA 0.140 4.483 4.340 0.005 0.000 0.280 78 R C -0.641 175.652 176.300 -0.013 0.000 1.077 78 R CA -0.395 55.702 56.100 -0.005 0.000 1.065 78 R CB 0.481 30.768 30.300 -0.022 0.000 1.003 78 R HN 0.705 nan 8.270 nan 0.000 0.470 79 D N 3.738 124.125 120.400 -0.022 0.000 2.450 79 D HA -0.072 4.571 4.640 0.005 0.000 0.247 79 D C 0.924 177.207 176.300 -0.029 0.000 1.162 79 D CA 0.313 54.300 54.000 -0.021 0.000 0.879 79 D CB 0.799 41.584 40.800 -0.026 0.000 1.163 79 D HN 0.494 nan 8.370 nan 0.000 0.472 80 E N 3.040 123.229 120.200 -0.019 0.000 2.277 80 E HA -0.303 4.050 4.350 0.005 0.000 0.216 80 E C 1.613 178.196 176.600 -0.029 0.000 1.068 80 E CA 1.559 57.947 56.400 -0.020 0.000 0.866 80 E CB -0.299 29.392 29.700 -0.015 0.000 0.749 80 E HN 0.688 nan 8.360 nan 0.000 0.465 81 K N 0.150 120.529 120.400 -0.035 0.000 2.459 81 K HA 0.049 4.372 4.320 0.005 0.000 0.193 81 K C 0.959 177.524 176.600 -0.058 0.000 1.030 81 K CA 0.796 57.057 56.287 -0.042 0.000 1.026 81 K CB 0.207 32.682 32.500 -0.040 0.000 0.809 81 K HN -0.025 nan 8.250 nan 0.000 0.504 82 N N 0.879 119.538 118.700 -0.068 0.000 2.171 82 N HA 0.171 4.914 4.740 0.005 0.000 0.212 82 N C 0.014 175.477 175.510 -0.077 0.000 1.184 82 N CA -0.181 52.812 53.050 -0.094 0.000 0.888 82 N CB 0.686 39.091 38.487 -0.136 0.000 1.038 82 N HN 0.135 nan 8.380 nan 0.000 0.517 83 I N 2.000 122.539 120.570 -0.052 0.000 2.752 83 I HA -0.089 4.084 4.170 0.005 0.000 0.289 83 I C 0.592 176.686 176.117 -0.038 0.000 1.197 83 I CA 0.317 61.595 61.300 -0.037 0.000 1.432 83 I CB 0.233 38.219 38.000 -0.024 0.000 1.359 83 I HN -0.075 nan 8.210 nan 0.000 0.571 84 N N 6.387 125.067 118.700 -0.033 0.000 2.485 84 N HA 0.191 4.934 4.740 0.005 0.000 0.243 84 N C 0.799 176.297 175.510 -0.020 0.000 0.987 84 N CA -0.336 52.696 53.050 -0.031 0.000 0.940 84 N CB 0.918 39.385 38.487 -0.032 0.000 1.122 84 N HN 0.416 nan 8.380 nan 0.000 0.509 85 R N 1.399 121.887 120.500 -0.020 0.000 2.091 85 R HA -0.069 4.274 4.340 0.005 0.000 0.238 85 R C 0.274 176.567 176.300 -0.012 0.000 1.136 85 R CA 1.391 57.482 56.100 -0.015 0.000 0.959 85 R CB 0.134 30.424 30.300 -0.016 0.000 0.856 85 R HN 0.501 nan 8.270 nan 0.000 0.437 86 D N -0.257 120.134 120.400 -0.014 0.000 2.324 86 D HA 0.032 4.675 4.640 0.005 0.000 0.235 86 D C 0.019 176.313 176.300 -0.008 0.000 1.095 86 D CA 0.710 54.703 54.000 -0.012 0.000 0.871 86 D CB 0.188 40.980 40.800 -0.015 0.000 0.906 86 D HN 0.212 nan 8.370 nan 0.000 0.522 87 M N 0.023 119.619 119.600 -0.006 0.000 2.134 87 M HA 0.395 4.879 4.480 0.005 0.000 0.310 87 M C 0.946 177.249 176.300 0.006 0.000 0.966 87 M CA -0.637 54.663 55.300 0.000 0.000 0.922 87 M CB 2.527 35.127 32.600 0.000 0.000 1.537 87 M HN -0.150 nan 8.290 nan 0.000 0.424 88 A N 1.552 124.378 122.820 0.009 0.000 1.997 88 A HA -0.157 4.166 4.320 0.005 0.000 0.221 88 A C 1.815 179.414 177.584 0.025 0.000 1.172 88 A CA 2.598 54.643 52.037 0.015 0.000 0.645 88 A CB -0.863 18.146 19.000 0.016 0.000 0.813 88 A HN 0.873 nan 8.150 nan 0.000 0.454 89 T N -3.954 110.616 114.554 0.027 0.000 3.086 89 T HA 0.308 4.661 4.350 0.005 0.000 0.250 89 T C 1.535 176.249 174.700 0.025 0.000 1.074 89 T CA 0.808 62.928 62.100 0.035 0.000 0.988 89 T CB 0.016 68.907 68.868 0.039 0.000 0.988 89 T HN 0.428 nan 8.240 nan 0.000 0.530 90 G N 1.579 110.387 108.800 0.013 0.000 2.601 90 G HA2 -0.133 3.830 3.960 0.005 0.000 0.214 90 G HA3 -0.133 3.830 3.960 0.005 0.000 0.214 90 G C 1.120 176.019 174.900 -0.002 0.000 1.132 90 G CA 0.355 45.455 45.100 0.000 0.000 0.761 90 G HN 0.650 nan 8.290 nan 0.000 0.550 91 E N -0.874 119.332 120.200 0.009 0.000 2.498 91 E HA 0.253 4.606 4.350 0.005 0.000 0.203 91 E C -0.008 176.601 176.600 0.015 0.000 1.013 91 E CA -0.288 56.116 56.400 0.007 0.000 0.927 91 E CB 0.440 30.146 29.700 0.010 0.000 1.012 91 E HN 0.620 nan 8.360 nan 0.000 0.482 92 I N -2.032 118.552 120.570 0.023 0.000 3.191 92 I HA 0.454 4.627 4.170 0.005 0.000 0.313 92 I C -0.908 175.229 176.117 0.034 0.000 1.193 92 I CA -1.272 60.048 61.300 0.033 0.000 0.968 92 I CB 1.858 39.888 38.000 0.051 0.000 1.262 92 I HN -0.159 nan 8.210 nan 0.000 0.456 93 E N 0.910 121.137 120.200 0.045 0.000 2.449 93 E HA 0.808 5.161 4.350 0.005 0.000 0.278 93 E C -1.758 174.872 176.600 0.051 0.000 0.992 93 E CA -1.181 55.254 56.400 0.057 0.000 0.807 93 E CB 2.529 32.281 29.700 0.085 0.000 1.350 93 E HN 0.397 nan 8.360 nan 0.000 0.462 94 V N 1.504 121.441 119.914 0.038 0.000 2.487 94 V HA 0.287 4.410 4.120 0.005 0.000 0.298 94 V C -1.002 175.072 176.094 -0.034 0.000 1.028 94 V CA -0.872 61.425 62.300 -0.005 0.000 0.860 94 V CB 1.489 33.289 31.823 -0.039 0.000 0.991 94 V HN 0.601 nan 8.190 nan 0.000 0.427 95 L N 5.618 126.819 121.223 -0.036 0.000 2.255 95 L HA 0.760 5.103 4.340 0.005 0.000 0.289 95 L C 0.562 177.331 176.870 -0.168 0.000 1.046 95 L CA -0.050 54.736 54.840 -0.090 0.000 0.816 95 L CB 0.772 42.815 42.059 -0.028 0.000 1.197 95 L HN 0.751 nan 8.230 nan 0.000 0.427 96 A N 3.465 126.096 122.820 -0.315 0.000 2.450 96 A HA 0.477 4.800 4.320 0.005 0.000 0.255 96 A C 0.883 178.391 177.584 -0.126 0.000 1.096 96 A CA 0.363 52.238 52.037 -0.270 0.000 0.778 96 A CB 0.071 18.743 19.000 -0.547 0.000 1.031 96 A HN 0.956 nan 8.150 nan 0.000 0.494 97 S N 0.662 116.327 115.700 -0.059 0.000 2.540 97 S HA 0.402 4.875 4.470 0.005 0.000 0.222 97 S C 0.428 175.030 174.600 0.004 0.000 1.008 97 S CA 0.323 58.505 58.200 -0.029 0.000 0.939 97 S CB 0.143 63.324 63.200 -0.033 0.000 0.865 97 S HN 0.750 nan 8.310 nan 0.000 0.499 98 S N 0.664 116.381 115.700 0.028 0.000 2.543 98 S HA 0.727 5.200 4.470 0.005 0.000 0.271 98 S C -2.112 172.540 174.600 0.087 0.000 1.148 98 S CA -0.618 57.605 58.200 0.039 0.000 0.914 98 S CB 1.647 64.853 63.200 0.010 0.000 1.096 98 S HN 0.405 nan 8.310 nan 0.000 0.471 99 L N 3.620 124.887 121.223 0.073 0.000 2.436 99 L HA 0.825 5.168 4.340 0.005 0.000 0.268 99 L C -1.173 175.706 176.870 0.015 0.000 0.974 99 L CA 0.248 55.134 54.840 0.078 0.000 0.826 99 L CB 2.159 44.251 42.059 0.055 0.000 1.291 99 L HN 0.632 nan 8.230 nan 0.000 0.406 100 T N 6.283 120.844 114.554 0.012 0.000 2.949 100 T HA 0.529 4.882 4.350 0.005 0.000 0.300 100 T C -0.223 174.474 174.700 -0.006 0.000 0.988 100 T CA -0.136 61.959 62.100 -0.007 0.000 0.993 100 T CB 0.869 69.727 68.868 -0.017 0.000 0.984 100 T HN 0.458 nan 8.240 nan 0.000 0.442 101 I N 4.411 124.982 120.570 0.002 0.000 2.294 101 I HA 0.214 4.387 4.170 0.005 0.000 0.295 101 I C 1.216 177.326 176.117 -0.012 0.000 1.098 101 I CA -0.201 61.116 61.300 0.029 0.000 1.277 101 I CB 0.590 38.638 38.000 0.080 0.000 1.434 101 I HN 0.713 nan 8.210 nan 0.000 0.498 102 I N 4.868 125.410 120.570 -0.045 0.000 2.439 102 I HA -0.115 4.058 4.170 0.005 0.000 0.251 102 I C 0.438 176.512 176.117 -0.073 0.000 1.139 102 I CA 1.098 62.357 61.300 -0.069 0.000 1.438 102 I CB -0.090 37.845 38.000 -0.108 0.000 1.085 102 I HN 0.626 nan 8.210 nan 0.000 0.427 103 N N -0.803 117.841 118.700 -0.093 0.000 2.666 103 N HA 0.276 5.019 4.740 0.005 0.000 0.260 103 N C -0.576 174.772 175.510 -0.270 0.000 1.077 103 N CA -0.552 52.421 53.050 -0.129 0.000 1.026 103 N CB 1.314 39.753 38.487 -0.080 0.000 1.653 103 N HN -0.132 nan 8.380 nan 0.000 0.533 104 R N 0.945 121.196 120.500 -0.415 0.000 3.160 104 R HA 0.759 5.103 4.340 0.005 0.000 0.266 104 R C -0.468 175.408 176.300 -0.707 0.000 1.167 104 R CA 0.130 55.642 56.100 -0.979 0.000 1.124 104 R CB 0.295 30.181 30.300 -0.690 0.000 1.034 104 R HN 0.551 nan 8.270 nan 0.000 0.536 105 A N 0.465 122.847 122.820 -0.731 0.000 2.500 105 A HA 0.291 4.614 4.320 0.005 0.000 0.291 105 A C -1.494 176.059 177.584 -0.051 0.000 1.048 105 A CA -0.928 50.978 52.037 -0.220 0.000 0.791 105 A CB 0.921 19.901 19.000 -0.033 0.000 1.309 105 A HN 0.555 nan 8.150 nan 0.000 0.397 106 D N 0.465 120.863 120.400 -0.003 0.000 2.349 106 D HA 0.268 4.911 4.640 0.005 0.000 0.239 106 D C 0.700 177.043 176.300 0.071 0.000 1.315 106 D CA 0.159 54.182 54.000 0.037 0.000 0.937 106 D CB 0.510 41.329 40.800 0.032 0.000 1.133 106 D HN 0.299 nan 8.370 nan 0.000 0.489 107 V N 1.200 121.150 119.914 0.060 0.000 2.585 107 V HA 0.006 4.129 4.120 0.005 0.000 0.296 107 V C 0.587 176.690 176.094 0.016 0.000 1.035 107 V CA -0.237 62.093 62.300 0.051 0.000 1.084 107 V CB 0.148 31.990 31.823 0.032 0.000 0.953 107 V HN 0.231 nan 8.190 nan 0.000 0.483 108 L N 8.276 129.505 121.223 0.009 0.000 2.455 108 L HA 0.178 4.521 4.340 0.005 0.000 0.272 108 L C -0.698 176.090 176.870 -0.136 0.000 1.174 108 L CA -0.994 53.816 54.840 -0.049 0.000 0.869 108 L CB 0.505 42.547 42.059 -0.029 0.000 1.130 108 L HN 0.549 nan 8.230 nan 0.000 0.474 109 P HA -0.026 nan 4.420 nan 0.000 0.236 109 P C 0.041 177.097 177.300 -0.407 0.000 1.177 109 P CA 0.374 63.245 63.100 -0.382 0.000 0.773 109 P CB 0.463 31.769 31.700 -0.656 0.000 0.878 110 L N 1.432 122.443 121.223 -0.353 0.000 2.307 110 L HA 0.322 4.665 4.340 0.005 0.000 0.282 110 L C -0.131 176.666 176.870 -0.122 0.000 1.051 110 L CA -0.441 54.261 54.840 -0.230 0.000 0.804 110 L CB 0.711 42.653 42.059 -0.195 0.000 1.197 110 L HN -0.228 nan 8.230 nan 0.000 0.431 111 D N 2.164 122.514 120.400 -0.083 0.000 2.264 111 D HA 0.118 4.761 4.640 0.005 0.000 0.250 111 D C 0.603 176.996 176.300 0.155 0.000 1.113 111 D CA 0.047 54.050 54.000 0.005 0.000 0.871 111 D CB 1.848 42.569 40.800 -0.132 0.000 1.167 111 D HN 0.550 nan 8.370 nan 0.000 0.447 112 S N 2.153 117.983 115.700 0.216 0.000 2.341 112 S HA -0.114 4.359 4.470 0.005 0.000 0.216 112 S C 1.167 175.803 174.600 0.060 0.000 1.034 112 S CA 0.450 58.718 58.200 0.112 0.000 0.964 112 S CB 0.051 63.297 63.200 0.076 0.000 0.882 112 S HN 0.572 nan 8.310 nan 0.000 0.469 113 N N 0.768 119.443 118.700 -0.042 0.000 2.276 113 N HA 0.079 4.822 4.740 0.005 0.000 0.212 113 N C -0.614 174.643 175.510 -0.421 0.000 1.127 113 N CA -0.077 52.815 53.050 -0.263 0.000 0.834 113 N CB -0.194 38.091 38.487 -0.336 0.000 1.014 113 N HN 0.486 nan 8.380 nan 0.000 0.491 114 H N -1.240 117.823 119.070 -0.012 0.000 2.869 114 H HA 0.543 5.102 4.556 0.005 0.000 0.342 114 H C -0.399 174.922 175.328 -0.012 0.000 1.250 114 H CA -0.959 55.083 56.048 -0.011 0.000 1.217 114 H CB 0.975 30.730 29.762 -0.012 0.000 1.917 114 H HN -0.240 nan 8.280 nan 0.000 0.586 115 V N 1.942 121.935 119.914 0.131 0.000 2.465 115 V HA 0.243 4.366 4.120 0.005 0.000 0.279 115 V C -0.152 175.970 176.094 0.047 0.000 1.045 115 V CA -0.687 61.651 62.300 0.063 0.000 0.938 115 V CB 0.634 32.483 31.823 0.042 0.000 0.986 115 V HN 0.643 nan 8.190 nan 0.000 0.467 116 N N 2.090 120.807 118.700 0.030 0.000 2.321 116 N HA 0.388 5.131 4.740 0.005 0.000 0.299 116 N C -0.022 175.498 175.510 0.017 0.000 1.048 116 N CA -0.433 52.627 53.050 0.017 0.000 0.836 116 N CB 2.269 40.761 38.487 0.009 0.000 1.269 116 N HN 0.806 nan 8.380 nan 0.000 0.486 117 T N -2.095 112.471 114.554 0.020 0.000 2.926 117 T HA 0.023 4.376 4.350 0.005 0.000 0.307 117 T C 1.088 175.800 174.700 0.020 0.000 1.059 117 T CA -0.350 61.763 62.100 0.020 0.000 1.122 117 T CB 1.285 70.167 68.868 0.023 0.000 0.972 117 T HN 0.566 nan 8.240 nan 0.000 0.545 118 E N 0.200 120.409 120.200 0.015 0.000 2.472 118 E HA -0.158 4.195 4.350 0.005 0.000 0.200 118 E C 1.587 178.196 176.600 0.015 0.000 1.046 118 E CA 0.570 56.977 56.400 0.011 0.000 0.871 118 E CB 0.066 29.770 29.700 0.007 0.000 0.806 118 E HN 0.779 nan 8.360 nan 0.000 0.533 119 E N -0.054 120.159 120.200 0.021 0.000 2.076 119 E HA -0.036 4.317 4.350 0.005 0.000 0.190 119 E C 1.670 178.292 176.600 0.037 0.000 0.979 119 E CA 1.220 57.633 56.400 0.022 0.000 0.807 119 E CB -0.096 29.619 29.700 0.024 0.000 0.761 119 E HN 0.337 nan 8.360 nan 0.000 0.454 120 A N 0.384 123.243 122.820 0.065 0.000 1.898 120 A HA -0.073 4.250 4.320 0.005 0.000 0.214 120 A C 2.091 179.776 177.584 0.169 0.000 1.183 120 A CA 1.175 53.299 52.037 0.144 0.000 0.622 120 A CB -0.296 18.778 19.000 0.122 0.000 0.824 120 A HN 0.108 nan 8.150 nan 0.000 0.444 121 R N -0.418 120.126 120.500 0.074 0.000 2.081 121 R HA 0.002 4.345 4.340 0.005 0.000 0.235 121 R C 1.943 178.248 176.300 0.009 0.000 1.131 121 R CA 1.356 57.478 56.100 0.036 0.000 0.960 121 R CB -0.471 29.831 30.300 0.003 0.000 0.856 121 R HN 0.463 nan 8.270 nan 0.000 0.436 122 L N 0.717 121.943 121.223 0.005 0.000 2.141 122 L HA -0.146 4.197 4.340 0.005 0.000 0.209 122 L C 2.590 179.435 176.870 -0.042 0.000 1.094 122 L CA 1.200 56.035 54.840 -0.009 0.000 0.763 122 L CB -0.281 41.779 42.059 0.001 0.000 0.908 122 L HN 0.179 nan 8.230 nan 0.000 0.437 123 K N -0.099 120.248 120.400 -0.088 0.000 2.155 123 K HA -0.154 4.169 4.320 0.005 0.000 0.203 123 K C 0.408 176.713 176.600 -0.491 0.000 1.052 123 K CA 1.168 57.295 56.287 -0.267 0.000 0.948 123 K CB 0.122 32.421 32.500 -0.335 0.000 0.728 123 K HN 0.203 nan 8.250 nan 0.000 0.448 124 Y N 0.395 120.583 120.300 -0.187 0.000 2.764 124 Y HA 0.223 4.775 4.550 0.005 0.000 0.350 124 Y C 1.056 176.612 175.900 -0.574 0.000 0.982 124 Y CA -0.668 57.127 58.100 -0.508 0.000 1.431 124 Y CB 0.600 38.838 38.460 -0.370 0.000 1.326 124 Y HN -0.023 nan 8.280 nan 0.000 0.550 125 R N 0.893 121.250 120.500 -0.238 0.000 2.117 125 R HA -0.251 4.093 4.340 0.005 0.000 0.243 125 R C 1.495 177.747 176.300 -0.080 0.000 1.143 125 R CA 2.216 58.268 56.100 -0.080 0.000 0.968 125 R CB -0.882 29.488 30.300 0.117 0.000 0.863 125 R HN 0.648 nan 8.270 nan 0.000 0.444 126 Y N -2.453 117.938 120.300 0.152 0.000 2.574 126 Y HA 0.068 4.621 4.550 0.005 0.000 0.294 126 Y C 1.485 177.407 175.900 0.037 0.000 1.142 126 Y CA 0.096 58.264 58.100 0.113 0.000 1.314 126 Y CB -0.344 38.197 38.460 0.135 0.000 0.991 126 Y HN -0.025 nan 8.280 nan 0.000 0.555 127 L N 0.633 121.675 121.223 -0.302 0.000 2.221 127 L HA 0.034 4.377 4.340 0.005 0.000 0.202 127 L C 1.857 178.660 176.870 -0.112 0.000 1.074 127 L CA 1.369 56.120 54.840 -0.148 0.000 0.795 127 L CB -1.024 40.918 42.059 -0.196 0.000 0.960 127 L HN 0.248 nan 8.230 nan 0.000 0.458 128 D N -0.607 119.720 120.400 -0.121 0.000 2.144 128 D HA -0.182 4.461 4.640 0.005 0.000 0.199 128 D C 2.172 178.416 176.300 -0.093 0.000 0.984 128 D CA 1.039 54.986 54.000 -0.089 0.000 0.834 128 D CB 0.022 40.776 40.800 -0.077 0.000 0.955 128 D HN 0.259 nan 8.370 nan 0.000 0.465 129 L N -0.221 120.938 121.223 -0.106 0.000 2.549 129 L HA 0.022 4.365 4.340 0.005 0.000 0.229 129 L C 2.275 179.075 176.870 -0.116 0.000 1.158 129 L CA 0.410 55.178 54.840 -0.121 0.000 0.842 129 L CB -0.111 41.858 42.059 -0.150 0.000 0.952 129 L HN 0.015 nan 8.230 nan 0.000 0.452 130 R N -0.358 120.070 120.500 -0.120 0.000 2.153 130 R HA 0.031 4.374 4.340 0.005 0.000 0.218 130 R C 0.615 176.853 176.300 -0.103 0.000 1.072 130 R CA 0.017 56.024 56.100 -0.155 0.000 0.990 130 R CB 0.026 30.208 30.300 -0.196 0.000 0.889 130 R HN 0.259 nan 8.270 nan 0.000 0.452 131 R N 1.398 121.851 120.500 -0.077 0.000 2.504 131 R HA -0.050 4.293 4.340 0.005 0.000 0.291 131 R C -1.834 174.436 176.300 -0.050 0.000 0.974 131 R CA -0.890 55.179 56.100 -0.052 0.000 1.077 131 R CB 0.176 30.449 30.300 -0.046 0.000 0.926 131 R HN -0.013 nan 8.270 nan 0.000 0.407 132 P HA -0.246 nan 4.420 nan 0.000 0.217 132 P C 0.834 178.112 177.300 -0.037 0.000 1.148 132 P CA 1.164 64.247 63.100 -0.028 0.000 0.828 132 P CB 0.170 31.864 31.700 -0.009 0.000 0.783 133 E N -1.060 119.119 120.200 -0.035 0.000 2.110 133 E HA -0.174 4.179 4.350 0.005 0.000 0.193 133 E C 1.681 178.251 176.600 -0.051 0.000 0.988 133 E CA 1.166 57.543 56.400 -0.038 0.000 0.804 133 E CB -0.196 29.484 29.700 -0.032 0.000 0.745 133 E HN 0.078 nan 8.360 nan 0.000 0.458 134 M N 0.038 119.603 119.600 -0.058 0.000 2.160 134 M HA 0.011 4.494 4.480 0.005 0.000 0.264 134 M C 2.473 178.722 176.300 -0.084 0.000 1.073 134 M CA 1.138 56.394 55.300 -0.075 0.000 1.142 134 M CB -1.049 31.501 32.600 -0.084 0.000 1.358 134 M HN 0.147 nan 8.290 nan 0.000 0.422 135 A N 0.131 122.903 122.820 -0.079 0.000 1.865 135 A HA -0.254 4.069 4.320 0.005 0.000 0.217 135 A C 2.155 179.694 177.584 -0.075 0.000 1.191 135 A CA 2.157 54.146 52.037 -0.080 0.000 0.623 135 A CB -0.883 18.075 19.000 -0.070 0.000 0.826 135 A HN 0.463 nan 8.150 nan 0.000 0.444 136 Q N 0.024 119.784 119.800 -0.066 0.000 2.096 136 Q HA -0.213 4.130 4.340 0.005 0.000 0.208 136 Q C 2.164 178.118 176.000 -0.076 0.000 0.993 136 Q CA 2.274 58.037 55.803 -0.067 0.000 0.862 136 Q CB -0.367 28.336 28.738 -0.058 0.000 0.915 136 Q HN 0.700 nan 8.270 nan 0.000 0.416 137 R N -0.942 119.512 120.500 -0.077 0.000 2.105 137 R HA -0.132 4.211 4.340 0.005 0.000 0.239 137 R C 1.928 178.176 176.300 -0.088 0.000 1.135 137 R CA 1.243 57.293 56.100 -0.083 0.000 0.967 137 R CB -0.347 29.906 30.300 -0.079 0.000 0.861 137 R HN 0.231 nan 8.270 nan 0.000 0.442 138 L N 1.035 122.205 121.223 -0.089 0.000 2.313 138 L HA -0.032 4.312 4.340 0.005 0.000 0.214 138 L C 1.872 178.695 176.870 -0.077 0.000 1.119 138 L CA 1.535 56.322 54.840 -0.087 0.000 0.809 138 L CB -0.242 41.757 42.059 -0.100 0.000 0.933 138 L HN 0.028 nan 8.230 nan 0.000 0.449 139 K N -1.575 118.777 120.400 -0.079 0.000 2.116 139 K HA -0.033 4.290 4.320 0.005 0.000 0.203 139 K C 1.940 178.491 176.600 -0.081 0.000 1.052 139 K CA 1.254 57.495 56.287 -0.077 0.000 0.952 139 K CB -0.040 32.412 32.500 -0.081 0.000 0.729 139 K HN 0.188 nan 8.250 nan 0.000 0.446 140 T N 0.832 115.331 114.554 -0.092 0.000 2.821 140 T HA -0.102 4.251 4.350 0.005 0.000 0.267 140 T C 1.786 176.421 174.700 -0.108 0.000 1.046 140 T CA 0.931 62.966 62.100 -0.109 0.000 1.139 140 T CB -0.034 68.757 68.868 -0.127 0.000 0.871 140 T HN 0.217 nan 8.240 nan 0.000 0.454 141 R N 0.727 121.170 120.500 -0.095 0.000 2.105 141 R HA -0.077 4.266 4.340 0.005 0.000 0.239 141 R C 2.506 178.767 176.300 -0.065 0.000 1.135 141 R CA 1.468 57.519 56.100 -0.083 0.000 0.967 141 R CB -0.378 29.881 30.300 -0.070 0.000 0.861 141 R HN 0.369 nan 8.270 nan 0.000 0.442 142 A N 1.041 123.827 122.820 -0.057 0.000 1.930 142 A HA -0.163 4.160 4.320 0.005 0.000 0.217 142 A C 2.066 179.626 177.584 -0.040 0.000 1.175 142 A CA 1.306 53.319 52.037 -0.040 0.000 0.627 142 A CB -0.399 18.579 19.000 -0.037 0.000 0.815 142 A HN 0.258 nan 8.150 nan 0.000 0.443 143 K N -0.235 120.130 120.400 -0.059 0.000 2.155 143 K HA 0.005 4.328 4.320 0.005 0.000 0.203 143 K C 1.790 178.351 176.600 -0.065 0.000 1.052 143 K CA 1.057 57.309 56.287 -0.060 0.000 0.948 143 K CB -0.232 32.218 32.500 -0.082 0.000 0.728 143 K HN 0.547 nan 8.250 nan 0.000 0.448 144 I N 1.098 121.616 120.570 -0.087 0.000 2.202 144 I HA -0.244 3.929 4.170 0.005 0.000 0.242 144 I C 2.363 178.447 176.117 -0.055 0.000 1.091 144 I CA 1.707 62.948 61.300 -0.099 0.000 1.368 144 I CB -0.502 37.420 38.000 -0.130 0.000 1.058 144 I HN 0.288 nan 8.210 nan 0.000 0.410 145 T N -2.942 111.592 114.554 -0.034 0.000 2.951 145 T HA -0.115 4.238 4.350 0.005 0.000 0.268 145 T C 1.964 176.676 174.700 0.021 0.000 1.073 145 T CA 1.328 63.428 62.100 -0.001 0.000 1.134 145 T CB -0.230 68.642 68.868 0.008 0.000 0.884 145 T HN 0.185 nan 8.240 nan 0.000 0.479 146 S N 0.618 116.326 115.700 0.013 0.000 2.387 146 S HA 0.139 4.612 4.470 0.005 0.000 0.226 146 S C 1.917 176.549 174.600 0.053 0.000 1.026 146 S CA 0.540 58.760 58.200 0.032 0.000 0.972 146 S CB -0.531 62.680 63.200 0.019 0.000 0.814 146 S HN 0.549 nan 8.310 nan 0.000 0.477 147 L N 0.766 122.019 121.223 0.050 0.000 2.056 147 L HA -0.039 4.304 4.340 0.005 0.000 0.207 147 L C 2.425 179.357 176.870 0.104 0.000 1.078 147 L CA 0.815 55.728 54.840 0.121 0.000 0.749 147 L CB -0.572 41.545 42.059 0.097 0.000 0.901 147 L HN 0.208 nan 8.230 nan 0.000 0.433 148 V N -0.060 119.867 119.914 0.021 0.000 2.261 148 V HA -0.303 3.820 4.120 0.005 0.000 0.246 148 V C 2.645 178.721 176.094 -0.030 0.000 1.047 148 V CA 1.805 64.079 62.300 -0.043 0.000 1.015 148 V CB -0.601 31.191 31.823 -0.051 0.000 0.642 148 V HN 0.407 nan 8.190 nan 0.000 0.446 149 R N -0.314 120.210 120.500 0.041 0.000 2.094 149 R HA -0.193 4.150 4.340 0.005 0.000 0.239 149 R C 2.538 178.866 176.300 0.047 0.000 1.137 149 R CA 1.943 58.099 56.100 0.093 0.000 0.943 149 R CB -0.430 29.967 30.300 0.162 0.000 0.850 149 R HN 0.435 nan 8.270 nan 0.000 0.433 150 R N -0.478 120.062 120.500 0.067 0.000 2.096 150 R HA -0.154 4.189 4.340 0.005 0.000 0.235 150 R C 2.123 178.437 176.300 0.024 0.000 1.127 150 R CA 1.578 57.712 56.100 0.057 0.000 0.968 150 R CB -0.351 29.993 30.300 0.074 0.000 0.861 150 R HN 0.196 nan 8.270 nan 0.000 0.440 151 F N 0.721 120.577 119.950 -0.158 0.000 2.113 151 F HA -0.175 4.355 4.527 0.005 0.000 0.297 151 F C 2.020 177.698 175.800 -0.203 0.000 1.103 151 F CA 1.337 59.190 58.000 -0.244 0.000 1.248 151 F CB 0.007 38.738 39.000 -0.448 0.000 0.999 151 F HN -0.119 nan 8.300 nan 0.000 0.475 152 M N 0.363 119.905 119.600 -0.096 0.000 2.099 152 M HA -0.177 4.307 4.480 0.005 0.000 0.262 152 M C 1.794 178.041 176.300 -0.089 0.000 1.067 152 M CA 1.489 56.567 55.300 -0.369 0.000 1.124 152 M CB -1.480 30.360 32.600 -1.267 0.000 1.353 152 M HN 0.099 nan 8.290 nan 0.000 0.410 153 D N 0.665 121.040 120.400 -0.041 0.000 2.149 153 D HA -0.154 4.489 4.640 0.005 0.000 0.198 153 D C 1.583 177.925 176.300 0.070 0.000 0.990 153 D CA 1.322 55.389 54.000 0.111 0.000 0.839 153 D CB -0.395 40.480 40.800 0.124 0.000 0.948 153 D HN 0.384 nan 8.370 nan 0.000 0.460 154 D N -0.914 119.485 120.400 -0.002 0.000 2.149 154 D HA -0.087 4.556 4.640 0.005 0.000 0.201 154 D C 0.929 177.172 176.300 -0.095 0.000 0.972 154 D CA 0.867 54.831 54.000 -0.061 0.000 0.835 154 D CB -0.009 40.721 40.800 -0.118 0.000 0.966 154 D HN 0.287 nan 8.370 nan 0.000 0.476 155 H N -1.072 117.885 119.070 -0.189 0.000 2.645 155 H HA 0.359 4.918 4.556 0.005 0.000 0.300 155 H C 1.258 176.646 175.328 0.101 0.000 1.065 155 H CA 0.439 56.448 56.048 -0.065 0.000 1.173 155 H CB 0.003 29.704 29.762 -0.102 0.000 1.383 155 H HN 0.136 nan 8.280 nan 0.000 0.566 156 G N -0.174 108.709 108.800 0.138 0.000 2.153 156 G HA2 -0.302 3.661 3.960 0.005 0.000 0.252 156 G HA3 -0.302 3.661 3.960 0.005 0.000 0.252 156 G C -0.164 174.755 174.900 0.032 0.000 0.994 156 G CA -0.169 44.964 45.100 0.054 0.000 0.698 156 G HN 0.247 nan 8.290 nan 0.000 0.521 157 F N -0.513 119.506 119.950 0.115 0.000 2.396 157 F HA 0.675 5.204 4.527 0.004 0.000 0.343 157 F C 0.582 176.587 175.800 0.342 0.000 1.104 157 F CA -1.258 56.876 58.000 0.224 0.000 1.161 157 F CB 1.247 40.347 39.000 0.166 0.000 1.146 157 F HN -0.058 nan 8.300 nan 0.000 0.522 158 L N 3.257 124.739 121.223 0.432 0.000 2.289 158 L HA 0.273 4.616 4.340 0.005 0.000 0.285 158 L C -0.263 176.648 176.870 0.069 0.000 1.049 158 L CA -0.544 54.452 54.840 0.260 0.000 0.804 158 L CB 0.897 43.070 42.059 0.190 0.000 1.195 158 L HN 0.453 nan 8.230 nan 0.000 0.428 159 D N 5.093 125.414 120.400 -0.133 0.000 2.347 159 D HA 0.339 4.982 4.640 0.005 0.000 0.235 159 D C -0.826 175.337 176.300 -0.229 0.000 1.149 159 D CA 0.001 53.702 54.000 -0.499 0.000 0.850 159 D CB 0.289 40.834 40.800 -0.425 0.000 1.061 159 D HN 0.340 nan 8.370 nan 0.000 0.487 160 I N 3.386 123.851 120.570 -0.174 0.000 2.500 160 I HA 0.129 4.302 4.170 0.005 0.000 0.286 160 I C 0.218 176.322 176.117 -0.022 0.000 1.063 160 I CA -0.783 60.460 61.300 -0.096 0.000 1.062 160 I CB 1.845 39.771 38.000 -0.123 0.000 1.223 160 I HN 0.164 nan 8.210 nan 0.000 0.435 161 E N 4.280 124.433 120.200 -0.078 0.000 2.392 161 E HA 0.284 4.637 4.350 0.005 0.000 0.264 161 E C -0.145 176.393 176.600 -0.104 0.000 1.024 161 E CA -0.228 56.132 56.400 -0.068 0.000 0.903 161 E CB 0.778 30.426 29.700 -0.086 0.000 0.963 161 E HN 0.601 nan 8.360 nan 0.000 0.432 162 T N -0.743 113.751 114.554 -0.099 0.000 2.932 162 T HA 0.491 4.844 4.350 0.005 0.000 0.289 162 T C -2.415 172.132 174.700 -0.255 0.000 1.039 162 T CA -2.141 59.808 62.100 -0.252 0.000 1.024 162 T CB 1.422 70.211 68.868 -0.132 0.000 1.090 162 T HN 0.235 nan 8.240 nan 0.000 0.496 163 P HA 0.198 nan 4.420 nan 0.000 0.271 163 P C 0.404 177.657 177.300 -0.078 0.000 1.216 163 P CA -0.533 62.416 63.100 -0.253 0.000 0.776 163 P CB 0.712 32.217 31.700 -0.325 0.000 0.881 164 M N 1.278 120.844 119.600 -0.057 0.000 2.357 164 M HA 0.120 4.603 4.480 0.005 0.000 0.266 164 M C 0.937 177.215 176.300 -0.037 0.000 1.095 164 M CA 0.837 56.138 55.300 0.002 0.000 1.156 164 M CB -0.632 31.968 32.600 -0.000 0.000 1.365 164 M HN 0.307 nan 8.290 nan 0.000 0.447 165 L N 1.763 122.908 121.223 -0.130 0.000 2.325 165 L HA 0.196 4.539 4.340 0.005 0.000 0.284 165 L C 0.560 177.410 176.870 -0.034 0.000 1.089 165 L CA -0.377 54.336 54.840 -0.211 0.000 0.836 165 L CB 0.096 41.767 42.059 -0.648 0.000 1.184 165 L HN 0.254 nan 8.230 nan 0.000 0.444 166 T N -0.519 114.116 114.554 0.135 0.000 2.864 166 T HA 0.388 4.741 4.350 0.005 0.000 0.289 166 T C -0.317 174.525 174.700 0.238 0.000 1.082 166 T CA -1.132 61.100 62.100 0.221 0.000 1.009 166 T CB 1.710 70.736 68.868 0.263 0.000 1.234 166 T HN 0.223 nan 8.240 nan 0.000 0.526 167 K N 1.442 121.952 120.400 0.183 0.000 2.395 167 K HA 0.518 4.841 4.320 0.005 0.000 0.283 167 K C 0.401 177.071 176.600 0.117 0.000 1.068 167 K CA 0.103 56.466 56.287 0.127 0.000 1.039 167 K CB -0.705 31.847 32.500 0.087 0.000 0.924 167 K HN 0.859 nan 8.250 nan 0.000 0.468 168 A N 3.777 126.657 122.820 0.100 0.000 2.366 168 A HA 0.286 4.609 4.320 0.005 0.000 0.250 168 A C 0.420 178.026 177.584 0.037 0.000 1.099 168 A CA 0.548 52.627 52.037 0.072 0.000 0.794 168 A CB -0.088 18.951 19.000 0.066 0.000 1.056 168 A HN 0.990 nan 8.150 nan 0.000 0.499 169 T N 0.402 114.963 114.554 0.010 0.000 3.860 169 T HA -0.091 4.262 4.350 0.005 0.000 0.378 169 T C -1.157 173.540 174.700 -0.005 0.000 0.761 169 T CA 0.854 62.945 62.100 -0.014 0.000 2.004 169 T CB -0.907 67.943 68.868 -0.030 0.000 1.778 169 T HN 0.762 nan 8.240 nan 0.000 0.801 170 P HA 0.196 nan 4.420 nan 0.000 0.208 170 P C -0.178 177.161 177.300 0.065 0.000 1.131 170 P CA 0.743 63.878 63.100 0.059 0.000 0.906 170 P CB 0.459 32.220 31.700 0.101 0.000 0.764 171 E N -0.532 119.715 120.200 0.078 0.000 2.281 171 E HA 0.387 4.740 4.350 0.005 0.000 0.266 171 E C 0.264 176.904 176.600 0.067 0.000 0.893 171 E CA -0.572 55.885 56.400 0.096 0.000 0.798 171 E CB 1.034 30.820 29.700 0.143 0.000 1.245 171 E HN 0.330 nan 8.360 nan 0.000 0.410 172 G N 3.004 111.835 108.800 0.052 0.000 2.216 172 G HA2 -0.287 3.676 3.960 0.005 0.000 0.269 172 G HA3 -0.287 3.676 3.960 0.005 0.000 0.269 172 G C 0.910 175.815 174.900 0.007 0.000 0.981 172 G CA 0.891 46.011 45.100 0.033 0.000 0.658 172 G HN 1.889 nan 8.290 nan 0.000 0.539 173 A N -1.426 121.393 122.820 -0.001 0.000 2.745 173 A HA -0.218 4.105 4.320 0.005 0.000 0.296 173 A C 0.953 178.512 177.584 -0.041 0.000 1.500 173 A CA 2.484 54.505 52.037 -0.027 0.000 0.766 173 A CB -1.480 17.497 19.000 -0.038 0.000 1.030 173 A HN 1.716 nan 8.150 nan 0.000 0.489 174 R N 0.499 120.984 120.500 -0.025 0.000 3.194 174 R HA 0.350 4.693 4.340 0.005 0.000 0.306 174 R C -0.701 175.558 176.300 -0.069 0.000 1.347 174 R CA 0.276 56.348 56.100 -0.045 0.000 1.540 174 R CB 0.144 30.446 30.300 0.004 0.000 1.352 174 R HN 0.686 nan 8.270 nan 0.000 0.621 175 D N -0.069 120.247 120.400 -0.140 0.000 2.596 175 D HA 0.081 4.724 4.640 0.005 0.000 0.262 175 D C -0.940 175.179 176.300 -0.302 0.000 1.210 175 D CA -0.662 53.240 54.000 -0.164 0.000 0.873 175 D CB 0.729 41.538 40.800 0.016 0.000 1.408 175 D HN -0.027 nan 8.370 nan 0.000 0.441 176 Y N -0.023 120.270 120.300 -0.012 0.000 2.304 176 Y HA 0.365 4.918 4.550 0.005 0.000 0.328 176 Y C 0.452 176.338 175.900 -0.024 0.000 1.123 176 Y CA -0.434 57.642 58.100 -0.040 0.000 1.218 176 Y CB 1.145 39.535 38.460 -0.117 0.000 1.207 176 Y HN 0.049 nan 8.280 nan 0.000 0.495 177 L N 3.765 125.065 121.223 0.128 0.000 2.309 177 L HA 0.576 4.919 4.340 0.005 0.000 0.282 177 L C -0.832 176.208 176.870 0.284 0.000 1.036 177 L CA -1.083 53.850 54.840 0.154 0.000 0.806 177 L CB 1.420 43.449 42.059 -0.051 0.000 1.220 177 L HN 0.309 nan 8.230 nan 0.000 0.429 178 V N 4.280 124.416 119.914 0.369 0.000 2.326 178 V HA 0.303 4.426 4.120 0.005 0.000 0.281 178 V C -2.037 174.239 176.094 0.302 0.000 1.015 178 V CA -1.575 60.914 62.300 0.315 0.000 0.823 178 V CB 1.575 33.551 31.823 0.255 0.000 1.009 178 V HN 0.598 nan 8.190 nan 0.000 0.436 179 P HA 0.112 nan 4.420 nan 0.000 0.271 179 P C -0.305 176.834 177.300 -0.268 0.000 1.218 179 P CA 0.064 62.861 63.100 -0.505 0.000 0.780 179 P CB 1.241 32.725 31.700 -0.360 0.000 0.901 180 S N 1.987 117.447 115.700 -0.399 0.000 2.475 180 S HA 0.165 4.638 4.470 0.005 0.000 0.281 180 S C 1.311 175.842 174.600 -0.115 0.000 1.198 180 S CA -0.698 57.409 58.200 -0.155 0.000 1.063 180 S CB 0.148 63.231 63.200 -0.194 0.000 0.972 180 S HN 0.428 nan 8.310 nan 0.000 0.486 181 R N 3.596 124.075 120.500 -0.035 0.000 2.090 181 R HA 0.003 4.346 4.340 0.005 0.000 0.228 181 R C 1.408 177.669 176.300 -0.065 0.000 1.110 181 R CA 1.328 57.400 56.100 -0.046 0.000 0.973 181 R CB -0.312 29.977 30.300 -0.018 0.000 0.869 181 R HN 0.651 nan 8.270 nan 0.000 0.440 182 V N 0.251 120.134 119.914 -0.051 0.000 2.407 182 V HA -0.114 4.009 4.120 0.005 0.000 0.245 182 V C 0.842 176.721 176.094 -0.359 0.000 1.041 182 V CA 1.257 63.459 62.300 -0.163 0.000 1.040 182 V CB -0.363 31.397 31.823 -0.105 0.000 0.671 182 V HN 0.327 nan 8.190 nan 0.000 0.455 183 H N 2.000 121.010 119.070 -0.100 0.000 2.556 183 H HA 0.243 4.802 4.556 0.005 0.000 0.240 183 H C -0.299 174.933 175.328 -0.160 0.000 1.543 183 H CA -0.830 55.145 56.048 -0.123 0.000 1.287 183 H CB 0.225 29.896 29.762 -0.151 0.000 1.529 183 H HN 0.299 nan 8.280 nan 0.000 0.553 184 K N 0.715 121.063 120.400 -0.088 0.000 2.511 184 K HA -0.051 4.272 4.320 0.005 0.000 0.277 184 K C 1.402 177.952 176.600 -0.084 0.000 1.025 184 K CA 0.750 56.980 56.287 -0.096 0.000 1.112 184 K CB 0.006 32.464 32.500 -0.070 0.000 0.859 184 K HN 0.903 nan 8.250 nan 0.000 0.485 185 G N 1.562 110.285 108.800 -0.128 0.000 2.179 185 G HA2 -0.257 3.706 3.960 0.005 0.000 0.260 185 G HA3 -0.257 3.706 3.960 0.005 0.000 0.260 185 G C -0.125 174.753 174.900 -0.038 0.000 0.977 185 G CA 0.283 45.354 45.100 -0.049 0.000 0.641 185 G HN 0.481 nan 8.290 nan 0.000 0.533 186 K N -0.411 119.863 120.400 -0.209 0.000 2.166 186 K HA 0.847 5.170 4.320 0.005 0.000 0.245 186 K C -0.603 175.710 176.600 -0.477 0.000 0.967 186 K CA -0.544 55.649 56.287 -0.157 0.000 0.863 186 K CB 1.374 33.783 32.500 -0.151 0.000 1.107 186 K HN 0.099 nan 8.250 nan 0.000 0.436 187 F N -0.066 119.765 119.950 -0.198 0.000 2.613 187 F HA 0.423 4.953 4.527 0.005 0.000 0.314 187 F C -0.258 175.388 175.800 -0.256 0.000 1.075 187 F CA -0.849 57.037 58.000 -0.191 0.000 0.945 187 F CB 1.096 40.062 39.000 -0.057 0.000 1.310 187 F HN 0.337 nan 8.300 nan 0.000 0.467 188 Y N 0.206 120.621 120.300 0.193 0.000 2.654 188 Y HA 0.821 5.375 4.550 0.006 0.000 0.327 188 Y C -0.121 175.850 175.900 0.117 0.000 1.122 188 Y CA -1.392 56.770 58.100 0.104 0.000 1.227 188 Y CB 1.440 39.931 38.460 0.051 0.000 1.370 188 Y HN 0.645 nan 8.280 nan 0.000 0.528 189 A N 0.884 123.863 122.820 0.265 0.000 2.393 189 A HA 0.646 4.969 4.320 0.005 0.000 0.306 189 A C -1.486 176.159 177.584 0.101 0.000 1.050 189 A CA -0.776 51.356 52.037 0.158 0.000 0.724 189 A CB 0.844 19.917 19.000 0.123 0.000 1.248 189 A HN 0.704 nan 8.150 nan 0.000 0.424 190 L N 3.749 124.982 121.223 0.016 0.000 2.410 190 L HA 0.298 4.641 4.340 0.005 0.000 0.273 190 L C -1.770 175.139 176.870 0.066 0.000 1.152 190 L CA -1.473 53.272 54.840 -0.159 0.000 0.855 190 L CB 1.065 42.711 42.059 -0.688 0.000 1.129 190 L HN 0.529 nan 8.230 nan 0.000 0.463 191 P HA 0.036 nan 4.420 nan 0.000 0.271 191 P C -0.380 177.122 177.300 0.335 0.000 1.216 191 P CA -0.368 62.892 63.100 0.268 0.000 0.776 191 P CB 1.031 32.886 31.700 0.259 0.000 0.881 192 Q N 1.149 121.095 119.800 0.242 0.000 2.167 192 Q HA 0.007 4.350 4.340 0.005 0.000 0.202 192 Q C 0.890 176.960 176.000 0.117 0.000 0.970 192 Q CA 1.317 57.248 55.803 0.212 0.000 0.855 192 Q CB -0.185 28.671 28.738 0.195 0.000 0.911 192 Q HN 0.773 nan 8.270 nan 0.000 0.438 193 S N -2.153 113.629 115.700 0.137 0.000 2.688 193 S HA 0.229 4.702 4.470 0.005 0.000 0.266 193 S C -2.979 171.721 174.600 0.166 0.000 1.061 193 S CA -1.125 57.139 58.200 0.107 0.000 0.844 193 S CB 0.985 64.243 63.200 0.096 0.000 1.103 193 S HN -0.221 nan 8.310 nan 0.000 0.471 194 P HA 0.213 nan 4.420 nan 0.000 0.269 194 P C 0.986 178.389 177.300 0.172 0.000 1.601 194 P CA 0.229 63.481 63.100 0.254 0.000 0.831 194 P CB -0.304 31.550 31.700 0.257 0.000 1.688 195 Q N -0.178 119.696 119.800 0.124 0.000 2.007 195 Q HA -0.249 4.094 4.340 0.005 0.000 0.214 195 Q C 1.300 177.301 176.000 0.001 0.000 1.031 195 Q CA 1.929 57.767 55.803 0.059 0.000 0.886 195 Q CB -0.465 28.327 28.738 0.090 0.000 0.992 195 Q HN 0.206 nan 8.270 nan 0.000 0.415 196 L N -1.385 119.804 121.223 -0.057 0.000 2.307 196 L HA 0.014 4.357 4.340 0.005 0.000 0.211 196 L C 1.752 178.525 176.870 -0.162 0.000 1.099 196 L CA 1.064 55.814 54.840 -0.149 0.000 0.816 196 L CB -0.404 41.570 42.059 -0.142 0.000 0.952 196 L HN 0.206 nan 8.230 nan 0.000 0.455 197 F N 0.917 120.902 119.950 0.059 0.000 2.216 197 F HA -0.197 4.334 4.527 0.006 0.000 0.300 197 F C 2.331 178.022 175.800 -0.181 0.000 1.085 197 F CA 1.304 59.292 58.000 -0.020 0.000 1.326 197 F CB -0.730 38.248 39.000 -0.037 0.000 1.027 197 F HN 0.208 nan 8.300 nan 0.000 0.497 198 K N 0.212 120.540 120.400 -0.120 0.000 2.155 198 K HA -0.145 4.178 4.320 0.005 0.000 0.203 198 K C 1.669 178.165 176.600 -0.174 0.000 1.052 198 K CA 1.331 57.365 56.287 -0.423 0.000 0.948 198 K CB -0.574 31.642 32.500 -0.475 0.000 0.728 198 K HN 0.313 nan 8.250 nan 0.000 0.448 199 Q N 0.462 120.209 119.800 -0.088 0.000 2.123 199 Q HA -0.041 4.303 4.340 0.005 0.000 0.199 199 Q C 2.016 177.932 176.000 -0.140 0.000 0.966 199 Q CA 0.716 56.464 55.803 -0.092 0.000 0.845 199 Q CB -0.039 28.637 28.738 -0.104 0.000 0.907 199 Q HN 0.165 nan 8.270 nan 0.000 0.439 200 L N 0.511 121.700 121.223 -0.057 0.000 2.046 200 L HA -0.162 4.181 4.340 0.005 0.000 0.208 200 L C 2.027 178.931 176.870 0.058 0.000 1.077 200 L CA 1.582 56.436 54.840 0.024 0.000 0.747 200 L CB -0.541 41.614 42.059 0.159 0.000 0.896 200 L HN 0.217 nan 8.230 nan 0.000 0.432 201 L N -1.607 119.652 121.223 0.062 0.000 2.265 201 L HA -0.224 4.119 4.340 0.005 0.000 0.215 201 L C 2.297 179.289 176.870 0.204 0.000 1.117 201 L CA 0.609 55.556 54.840 0.178 0.000 0.782 201 L CB -0.459 41.602 42.059 0.004 0.000 0.914 201 L HN 0.306 nan 8.230 nan 0.000 0.441 202 M N -1.258 118.362 119.600 0.033 0.000 2.288 202 M HA -0.063 4.420 4.480 0.005 0.000 0.266 202 M C 2.265 178.514 176.300 -0.086 0.000 1.072 202 M CA 1.336 56.618 55.300 -0.030 0.000 1.132 202 M CB -0.568 31.939 32.600 -0.154 0.000 1.386 202 M HN 0.258 nan 8.290 nan 0.000 0.432 203 M N -0.564 118.974 119.600 -0.103 0.000 2.229 203 M HA -0.035 4.448 4.480 0.005 0.000 0.264 203 M C 1.774 178.071 176.300 -0.004 0.000 1.063 203 M CA 1.139 56.398 55.300 -0.068 0.000 1.114 203 M CB -1.493 31.084 32.600 -0.039 0.000 1.387 203 M HN 0.135 nan 8.290 nan 0.000 0.420 204 S N 0.135 115.859 115.700 0.040 0.000 2.607 204 S HA 0.231 4.704 4.470 0.005 0.000 0.224 204 S C 1.576 176.069 174.600 -0.178 0.000 0.969 204 S CA 0.718 58.922 58.200 0.007 0.000 0.927 204 S CB -0.359 62.950 63.200 0.182 0.000 0.772 204 S HN 0.775 nan 8.310 nan 0.000 0.533 205 G N 0.853 109.593 108.800 -0.100 0.000 2.205 205 G HA2 -0.278 3.685 3.960 0.005 0.000 0.261 205 G HA3 -0.278 3.685 3.960 0.005 0.000 0.261 205 G C 0.107 174.903 174.900 -0.172 0.000 0.980 205 G CA -0.230 44.792 45.100 -0.131 0.000 0.632 205 G HN 0.451 nan 8.290 nan 0.000 0.533 206 F N 0.809 120.791 119.950 0.054 0.000 2.589 206 F HA 0.419 4.949 4.527 0.005 0.000 0.352 206 F C 1.517 177.362 175.800 0.075 0.000 1.168 206 F CA 0.785 58.826 58.000 0.069 0.000 1.353 206 F CB 0.619 39.670 39.000 0.084 0.000 1.116 206 F HN 0.126 nan 8.300 nan 0.000 0.608 207 D N 0.031 120.560 120.400 0.214 0.000 2.422 207 D HA 0.133 4.776 4.640 0.005 0.000 0.218 207 D C -0.101 176.261 176.300 0.103 0.000 1.047 207 D CA 0.417 54.508 54.000 0.150 0.000 0.885 207 D CB 0.424 41.296 40.800 0.121 0.000 1.035 207 D HN 0.426 nan 8.370 nan 0.000 0.502 208 R N -0.094 120.455 120.500 0.082 0.000 2.533 208 R HA 0.318 4.661 4.340 0.005 0.000 0.288 208 R C -1.739 174.703 176.300 0.236 0.000 1.039 208 R CA -0.863 55.212 56.100 -0.040 0.000 0.909 208 R CB 1.797 31.719 30.300 -0.631 0.000 1.195 208 R HN 0.098 nan 8.270 nan 0.000 0.438 209 Y N 3.764 124.231 120.300 0.277 0.000 2.524 209 Y HA 0.650 5.203 4.550 0.005 0.000 0.344 209 Y C -1.536 174.693 175.900 0.548 0.000 1.012 209 Y CA -1.022 57.279 58.100 0.334 0.000 1.068 209 Y CB 1.535 40.103 38.460 0.181 0.000 1.249 209 Y HN 0.631 nan 8.280 nan 0.000 0.468 210 Y N 1.822 121.719 120.300 -0.671 0.000 2.656 210 Y HA 0.661 5.213 4.550 0.004 0.000 0.334 210 Y C -2.040 173.372 175.900 -0.814 0.000 1.179 210 Y CA -1.069 56.633 58.100 -0.665 0.000 1.050 210 Y CB 1.461 39.819 38.460 -0.170 0.000 1.308 210 Y HN 0.866 nan 8.280 nan 0.000 0.456 211 Q N 2.285 121.697 119.800 -0.647 0.000 2.503 211 Q HA 0.479 4.822 4.340 0.005 0.000 0.268 211 Q C -2.228 173.687 176.000 -0.143 0.000 0.982 211 Q CA -0.780 54.709 55.803 -0.524 0.000 0.907 211 Q CB 2.031 30.564 28.738 -0.343 0.000 1.467 211 Q HN 0.796 nan 8.270 nan 0.000 0.394 212 I N 3.918 124.436 120.570 -0.087 0.000 2.287 212 I HA 0.368 4.541 4.170 0.005 0.000 0.290 212 I C -0.344 175.760 176.117 -0.021 0.000 1.069 212 I CA -0.302 61.004 61.300 0.011 0.000 1.237 212 I CB 0.584 38.606 38.000 0.038 0.000 1.418 212 I HN 0.425 nan 8.210 nan 0.000 0.481 213 V N 7.443 127.350 119.914 -0.013 0.000 2.876 213 V HA 0.435 4.558 4.120 0.005 0.000 0.312 213 V C -0.063 175.973 176.094 -0.097 0.000 1.085 213 V CA -0.877 61.402 62.300 -0.034 0.000 0.945 213 V CB 2.864 34.688 31.823 0.003 0.000 1.017 213 V HN 0.658 nan 8.190 nan 0.000 0.428 214 K N 3.275 123.591 120.400 -0.139 0.000 2.237 214 K HA 0.577 4.900 4.320 0.005 0.000 0.270 214 K C -0.956 175.361 176.600 -0.470 0.000 1.015 214 K CA -0.222 55.868 56.287 -0.329 0.000 0.949 214 K CB 0.942 33.245 32.500 -0.327 0.000 0.976 214 K HN 0.763 nan 8.250 nan 0.000 0.472 215 C N 1.794 120.555 119.300 -0.898 0.000 2.994 215 C HA 0.619 5.082 4.460 0.005 0.000 0.304 215 C C -1.239 173.077 174.990 -1.125 0.000 1.273 215 C CA -0.985 57.492 59.018 -0.901 0.000 1.537 215 C CB 0.603 27.663 27.740 -1.133 0.000 2.001 215 C HN 0.664 nan 8.230 nan 0.000 0.471 216 F N 1.280 121.132 119.950 -0.163 0.000 2.556 216 F HA 0.705 5.234 4.527 0.005 0.000 0.314 216 F C 0.344 176.334 175.800 0.316 0.000 1.106 216 F CA -0.713 57.378 58.000 0.151 0.000 0.911 216 F CB 1.268 40.440 39.000 0.287 0.000 1.190 216 F HN 0.526 nan 8.300 nan 0.000 0.448 217 R N -0.155 120.699 120.500 0.589 0.000 2.832 217 R HA 0.737 5.080 4.340 0.005 0.000 0.271 217 R C -1.459 175.015 176.300 0.290 0.000 0.996 217 R CA -0.912 55.426 56.100 0.398 0.000 0.977 217 R CB 1.925 32.441 30.300 0.361 0.000 1.168 217 R HN 0.584 nan 8.270 nan 0.000 0.482 218 D N -0.387 120.052 120.400 0.064 0.000 2.940 218 D HA 0.100 4.743 4.640 0.005 0.000 0.366 218 D C -0.506 175.772 176.300 -0.037 0.000 1.446 218 D CA -0.144 53.791 54.000 -0.107 0.000 0.780 218 D CB 0.619 41.120 40.800 -0.498 0.000 1.206 218 D HN 0.586 nan 8.370 nan 0.000 0.454 219 E N -0.314 119.906 120.200 0.033 0.000 4.138 219 E HA 0.186 4.539 4.350 0.005 0.000 0.369 219 E C -0.730 175.891 176.600 0.035 0.000 0.995 219 E CA -0.605 55.810 56.400 0.025 0.000 2.264 219 E CB 0.575 30.296 29.700 0.035 0.000 1.876 219 E HN 0.076 nan 8.360 nan 0.000 0.697 220 D N 0.442 120.862 120.400 0.033 0.000 2.396 220 D HA 0.167 4.810 4.640 0.005 0.000 0.225 220 D C -0.611 175.715 176.300 0.043 0.000 1.121 220 D CA -0.304 53.716 54.000 0.035 0.000 0.853 220 D CB 0.248 41.063 40.800 0.025 0.000 1.043 220 D HN 0.240 nan 8.370 nan 0.000 0.500 221 L N 4.052 125.309 121.223 0.057 0.000 3.036 221 L HA -0.028 4.315 4.340 0.005 0.000 0.304 221 L C 1.444 178.339 176.870 0.043 0.000 1.203 221 L CA 0.272 55.149 54.840 0.061 0.000 1.194 221 L CB -0.863 41.239 42.059 0.072 0.000 1.517 221 L HN 0.291 nan 8.230 nan 0.000 0.423 222 R N 2.479 122.999 120.500 0.035 0.000 2.774 222 R HA 0.487 4.830 4.340 0.005 0.000 0.269 222 R C 0.245 176.561 176.300 0.026 0.000 1.068 222 R CA -0.030 56.086 56.100 0.027 0.000 1.180 222 R CB 0.685 30.998 30.300 0.022 0.000 1.077 222 R HN 0.571 nan 8.270 nan 0.000 0.513 223 A N 1.495 124.330 122.820 0.025 0.000 2.445 223 A HA 0.104 4.427 4.320 0.005 0.000 0.242 223 A C 0.511 178.106 177.584 0.018 0.000 1.075 223 A CA 0.727 52.777 52.037 0.023 0.000 0.777 223 A CB 0.102 19.117 19.000 0.025 0.000 1.013 223 A HN 0.992 nan 8.150 nan 0.000 0.493 224 D N -0.905 119.502 120.400 0.011 0.000 2.911 224 D HA -0.144 4.499 4.640 0.005 0.000 0.199 224 D C -0.202 176.088 176.300 -0.016 0.000 1.041 224 D CA 1.739 55.737 54.000 -0.003 0.000 1.013 224 D CB -0.693 40.110 40.800 0.005 0.000 1.093 224 D HN 0.515 nan 8.370 nan 0.000 0.431 225 R N 1.118 121.618 120.500 -0.001 0.000 2.358 225 R HA 0.362 4.705 4.340 0.005 0.000 0.309 225 R C -0.021 176.303 176.300 0.040 0.000 1.026 225 R CA -0.489 55.608 56.100 -0.004 0.000 0.909 225 R CB 1.395 31.693 30.300 -0.003 0.000 1.153 225 R HN 0.306 nan 8.270 nan 0.000 0.515 226 Q N 2.963 122.799 119.800 0.059 0.000 2.256 226 Q HA 0.267 4.610 4.340 0.005 0.000 0.232 226 Q C -1.367 174.736 176.000 0.173 0.000 0.965 226 Q CA -1.669 54.195 55.803 0.102 0.000 0.908 226 Q CB 1.044 29.841 28.738 0.097 0.000 1.209 226 Q HN 0.223 nan 8.270 nan 0.000 0.489 227 P HA -0.105 nan 4.420 nan 0.000 0.225 227 P C -0.368 177.104 177.300 0.286 0.000 1.156 227 P CA 1.116 64.381 63.100 0.276 0.000 0.787 227 P CB 0.550 32.382 31.700 0.219 0.000 0.802 228 E N 0.339 120.623 120.200 0.140 0.000 2.340 228 E HA 0.564 4.917 4.350 0.005 0.000 0.273 228 E C -1.106 175.509 176.600 0.024 0.000 0.891 228 E CA -1.133 55.187 56.400 -0.133 0.000 0.757 228 E CB 1.892 31.352 29.700 -0.401 0.000 1.231 228 E HN 0.003 nan 8.360 nan 0.000 0.439 229 F N -1.568 118.241 119.950 -0.234 0.000 2.608 229 F HA 0.541 5.071 4.527 0.005 0.000 0.309 229 F C -1.011 174.714 175.800 -0.125 0.000 1.103 229 F CA -0.979 56.945 58.000 -0.126 0.000 0.954 229 F CB 1.685 40.650 39.000 -0.058 0.000 1.267 229 F HN 0.236 nan 8.300 nan 0.000 0.444 230 T N 2.773 117.366 114.554 0.065 0.000 2.889 230 T HA 0.418 4.771 4.350 0.005 0.000 0.291 230 T C -0.624 174.149 174.700 0.122 0.000 0.995 230 T CA -0.481 61.617 62.100 -0.003 0.000 1.092 230 T CB 1.129 69.999 68.868 0.004 0.000 0.954 230 T HN 0.628 nan 8.240 nan 0.000 0.506 231 Q N 1.659 121.499 119.800 0.068 0.000 2.365 231 Q HA 0.483 4.826 4.340 0.005 0.000 0.269 231 Q C -0.759 175.319 176.000 0.131 0.000 1.061 231 Q CA -0.778 55.114 55.803 0.148 0.000 0.816 231 Q CB 2.538 31.366 28.738 0.149 0.000 1.325 231 Q HN 0.595 nan 8.270 nan 0.000 0.446 232 I N 1.991 122.675 120.570 0.191 0.000 2.291 232 I HA 0.089 4.262 4.170 0.005 0.000 0.292 232 I C -0.293 175.937 176.117 0.190 0.000 1.064 232 I CA -0.234 61.187 61.300 0.201 0.000 1.269 232 I CB 0.442 38.610 38.000 0.281 0.000 1.418 232 I HN 0.404 nan 8.210 nan 0.000 0.485 233 D N 6.403 126.887 120.400 0.140 0.000 2.249 233 D HA 0.471 5.114 4.640 0.005 0.000 0.246 233 D C -0.820 175.576 176.300 0.160 0.000 1.114 233 D CA -0.032 54.064 54.000 0.161 0.000 0.854 233 D CB 1.387 42.310 40.800 0.205 0.000 1.132 233 D HN 0.102 nan 8.370 nan 0.000 0.461 234 V N 2.780 122.833 119.914 0.233 0.000 2.735 234 V HA 0.651 4.774 4.120 0.005 0.000 0.310 234 V C -0.356 175.992 176.094 0.423 0.000 1.061 234 V CA -0.866 61.618 62.300 0.307 0.000 0.913 234 V CB 1.927 33.869 31.823 0.198 0.000 1.005 234 V HN 0.502 nan 8.190 nan 0.000 0.428 235 E N 1.792 122.329 120.200 0.562 0.000 2.343 235 E HA 0.750 5.103 4.350 0.005 0.000 0.278 235 E C -0.825 176.004 176.600 0.382 0.000 0.910 235 E CA -0.306 56.350 56.400 0.428 0.000 0.757 235 E CB 2.367 32.290 29.700 0.373 0.000 1.218 235 E HN 0.983 nan 8.360 nan 0.000 0.435 236 T N -0.380 114.330 114.554 0.259 0.000 2.883 236 T HA 0.831 5.184 4.350 0.005 0.000 0.296 236 T C -0.580 174.183 174.700 0.105 0.000 1.117 236 T CA -0.816 61.386 62.100 0.171 0.000 1.006 236 T CB 1.600 70.565 68.868 0.162 0.000 1.191 236 T HN 0.173 nan 8.240 nan 0.000 0.508 237 S N 0.143 115.875 115.700 0.053 0.000 2.566 237 S HA 0.673 5.146 4.470 0.005 0.000 0.298 237 S C -0.883 173.729 174.600 0.022 0.000 1.083 237 S CA -0.717 57.427 58.200 -0.094 0.000 0.978 237 S CB 0.337 63.421 63.200 -0.193 0.000 1.073 237 S HN 0.833 nan 8.310 nan 0.000 0.491 238 F N -0.437 119.539 119.950 0.044 0.000 3.091 238 F HA -0.198 4.332 4.527 0.005 0.000 0.288 238 F C 0.024 175.829 175.800 0.007 0.000 0.907 238 F CA 0.510 58.524 58.000 0.022 0.000 1.028 238 F CB -1.756 37.255 39.000 0.018 0.000 1.022 238 F HN 0.405 nan 8.300 nan 0.000 0.665 239 M N -0.534 119.126 119.600 0.100 0.000 2.457 239 M HA 0.447 4.930 4.480 0.005 0.000 0.300 239 M C 0.441 176.741 176.300 -0.000 0.000 1.141 239 M CA -0.531 54.803 55.300 0.057 0.000 0.901 239 M CB 2.578 35.214 32.600 0.060 0.000 1.687 239 M HN 0.151 nan 8.290 nan 0.000 0.449 240 T N -0.790 113.751 114.554 -0.021 0.000 2.862 240 T HA 0.626 4.979 4.350 0.005 0.000 0.276 240 T C 1.089 175.721 174.700 -0.113 0.000 0.974 240 T CA -0.183 61.883 62.100 -0.058 0.000 0.966 240 T CB 1.223 70.058 68.868 -0.054 0.000 1.072 240 T HN 0.707 nan 8.240 nan 0.000 0.538 241 A N 0.962 123.696 122.820 -0.144 0.000 1.851 241 A HA 0.086 4.409 4.320 0.005 0.000 0.216 241 A C -0.090 177.236 177.584 -0.431 0.000 1.195 241 A CA 1.431 53.282 52.037 -0.311 0.000 0.622 241 A CB -2.148 16.727 19.000 -0.208 0.000 0.831 241 A HN 0.739 nan 8.150 nan 0.000 0.444 242 P HA -0.205 nan 4.420 nan 0.000 0.217 242 P C 1.263 178.414 177.300 -0.248 0.000 1.151 242 P CA 1.770 64.690 63.100 -0.300 0.000 0.849 242 P CB -0.165 31.427 31.700 -0.179 0.000 0.787 243 Q N -1.275 118.427 119.800 -0.162 0.000 2.297 243 Q HA -0.048 4.295 4.340 0.005 0.000 0.204 243 Q C 1.897 177.848 176.000 -0.082 0.000 0.962 243 Q CA 0.843 56.594 55.803 -0.087 0.000 0.879 243 Q CB -0.426 28.293 28.738 -0.031 0.000 0.947 243 Q HN 0.181 nan 8.270 nan 0.000 0.462 244 V N 0.708 120.519 119.914 -0.172 0.000 2.346 244 V HA -0.169 3.954 4.120 0.005 0.000 0.244 244 V C 2.156 178.112 176.094 -0.230 0.000 1.037 244 V CA 1.430 63.644 62.300 -0.143 0.000 1.029 244 V CB -0.395 31.302 31.823 -0.209 0.000 0.663 244 V HN 0.250 nan 8.190 nan 0.000 0.454 245 R N 0.101 120.276 120.500 -0.542 0.000 2.091 245 R HA -0.233 4.110 4.340 0.005 0.000 0.238 245 R C 2.404 178.584 176.300 -0.199 0.000 1.136 245 R CA 1.991 57.666 56.100 -0.707 0.000 0.959 245 R CB -0.389 29.074 30.300 -1.394 0.000 0.856 245 R HN 0.693 nan 8.270 nan 0.000 0.437 246 E N 0.665 120.763 120.200 -0.171 0.000 2.038 246 E HA -0.203 4.150 4.350 0.005 0.000 0.195 246 E C 1.955 178.578 176.600 0.039 0.000 1.000 246 E CA 1.642 58.015 56.400 -0.045 0.000 0.803 246 E CB -0.095 29.585 29.700 -0.033 0.000 0.750 246 E HN 0.200 nan 8.360 nan 0.000 0.448 247 V N 0.628 120.593 119.914 0.085 0.000 2.427 247 V HA -0.199 3.924 4.120 0.005 0.000 0.248 247 V C 2.173 178.344 176.094 0.129 0.000 1.051 247 V CA 1.597 63.997 62.300 0.165 0.000 1.048 247 V CB -0.207 31.775 31.823 0.265 0.000 0.666 247 V HN 0.369 nan 8.190 nan 0.000 0.456 248 M N -0.449 119.248 119.600 0.161 0.000 2.319 248 M HA -0.078 4.406 4.480 0.005 0.000 0.265 248 M C 2.055 178.463 176.300 0.180 0.000 1.068 248 M CA 1.669 57.123 55.300 0.257 0.000 1.118 248 M CB -1.097 31.762 32.600 0.433 0.000 1.395 248 M HN 0.564 nan 8.290 nan 0.000 0.435 249 E N 0.281 120.540 120.200 0.098 0.000 2.112 249 E HA -0.050 4.303 4.350 0.005 0.000 0.190 249 E C 1.959 178.385 176.600 -0.289 0.000 0.979 249 E CA 0.904 57.143 56.400 -0.268 0.000 0.814 249 E CB 0.191 29.672 29.700 -0.366 0.000 0.762 249 E HN 0.414 nan 8.360 nan 0.000 0.460 250 A N 1.673 124.417 122.820 -0.127 0.000 2.015 250 A HA -0.127 4.196 4.320 0.005 0.000 0.219 250 A C 2.102 179.508 177.584 -0.297 0.000 1.163 250 A CA 0.654 52.654 52.037 -0.061 0.000 0.646 250 A CB -0.477 18.619 19.000 0.159 0.000 0.806 250 A HN 0.382 nan 8.150 nan 0.000 0.448 251 L N 0.135 121.011 121.223 -0.579 0.000 1.988 251 L HA -0.112 4.231 4.340 0.005 0.000 0.207 251 L C 2.432 179.000 176.870 -0.504 0.000 1.071 251 L CA 2.219 56.435 54.840 -1.039 0.000 0.744 251 L CB -0.957 40.612 42.059 -0.817 0.000 0.893 251 L HN 0.269 nan 8.230 nan 0.000 0.433 252 V N 0.778 120.483 119.914 -0.350 0.000 2.287 252 V HA -0.312 3.811 4.120 0.005 0.000 0.248 252 V C 2.780 178.872 176.094 -0.003 0.000 1.053 252 V CA 2.071 64.260 62.300 -0.184 0.000 1.027 252 V CB -0.763 30.964 31.823 -0.161 0.000 0.646 252 V HN 0.480 nan 8.190 nan 0.000 0.447 253 R N -0.558 119.929 120.500 -0.021 0.000 2.091 253 R HA -0.245 4.098 4.340 0.005 0.000 0.238 253 R C 2.337 178.685 176.300 0.079 0.000 1.136 253 R CA 2.104 58.242 56.100 0.063 0.000 0.959 253 R CB -0.662 29.669 30.300 0.052 0.000 0.856 253 R HN 0.717 nan 8.270 nan 0.000 0.437 254 H N 0.778 119.801 119.070 -0.080 0.000 2.387 254 H HA -0.038 4.521 4.556 0.005 0.000 0.299 254 H C 1.862 177.152 175.328 -0.063 0.000 1.090 254 H CA 1.471 57.481 56.048 -0.062 0.000 1.332 254 H CB -0.061 29.617 29.762 -0.141 0.000 1.386 254 H HN 0.083 nan 8.280 nan 0.000 0.516 255 L N -1.108 120.070 121.223 -0.076 0.000 2.093 255 L HA -0.169 4.174 4.340 0.005 0.000 0.208 255 L C 2.324 179.086 176.870 -0.179 0.000 1.085 255 L CA 0.840 55.596 54.840 -0.140 0.000 0.755 255 L CB -0.472 41.550 42.059 -0.062 0.000 0.904 255 L HN 0.499 nan 8.230 nan 0.000 0.435 256 W N 0.016 121.139 121.300 -0.296 0.000 2.418 256 W HA -0.144 4.519 4.660 0.005 0.000 0.292 256 W C 2.388 178.753 176.519 -0.257 0.000 1.213 256 W CA 0.869 58.017 57.345 -0.328 0.000 1.283 256 W CB 0.016 29.260 29.460 -0.360 0.000 1.119 256 W HN 0.180 nan 8.180 nan 0.000 0.542 257 L N 0.645 121.850 121.223 -0.029 0.000 1.976 257 L HA -0.230 4.113 4.340 0.005 0.000 0.209 257 L C 2.377 179.154 176.870 -0.155 0.000 1.071 257 L CA 1.676 56.473 54.840 -0.071 0.000 0.746 257 L CB -0.581 41.445 42.059 -0.054 0.000 0.890 257 L HN -0.156 nan 8.230 nan 0.000 0.432 258 E N -0.711 119.332 120.200 -0.262 0.000 2.265 258 E HA -0.143 4.210 4.350 0.005 0.000 0.196 258 E C 1.960 178.420 176.600 -0.233 0.000 0.996 258 E CA 0.917 57.158 56.400 -0.265 0.000 0.832 258 E CB 0.063 29.523 29.700 -0.401 0.000 0.756 258 E HN 0.410 nan 8.360 nan 0.000 0.491 259 V N 0.372 120.112 119.914 -0.290 0.000 2.743 259 V HA 0.001 4.124 4.120 0.005 0.000 0.237 259 V C 1.667 177.579 176.094 -0.303 0.000 1.113 259 V CA 0.695 62.809 62.300 -0.310 0.000 1.141 259 V CB 0.142 31.718 31.823 -0.411 0.000 0.873 259 V HN -0.009 nan 8.190 nan 0.000 0.486 260 K N 0.301 120.469 120.400 -0.388 0.000 2.367 260 K HA 0.303 4.626 4.320 0.005 0.000 0.194 260 K C 1.491 178.014 176.600 -0.129 0.000 1.027 260 K CA 0.750 56.866 56.287 -0.286 0.000 1.075 260 K CB 0.246 32.474 32.500 -0.453 0.000 0.845 260 K HN 0.524 nan 8.250 nan 0.000 0.529 261 G N 1.891 110.619 108.800 -0.120 0.000 2.155 261 G HA2 -0.268 3.696 3.960 0.005 0.000 0.257 261 G HA3 -0.268 3.696 3.960 0.005 0.000 0.257 261 G C 0.292 175.197 174.900 0.008 0.000 0.983 261 G CA 0.650 45.722 45.100 -0.047 0.000 0.676 261 G HN 0.290 nan 8.290 nan 0.000 0.528 262 V N -1.668 118.263 119.914 0.029 0.000 2.617 262 V HA 0.781 4.904 4.120 0.005 0.000 0.298 262 V C -0.110 176.047 176.094 0.106 0.000 1.048 262 V CA -0.550 61.816 62.300 0.110 0.000 0.964 262 V CB 2.124 34.075 31.823 0.213 0.000 1.004 262 V HN 0.231 nan 8.190 nan 0.000 0.466 263 D N 3.578 124.037 120.400 0.097 0.000 2.443 263 D HA 0.319 4.962 4.640 0.005 0.000 0.221 263 D C 0.913 177.258 176.300 0.074 0.000 1.097 263 D CA -0.209 53.840 54.000 0.082 0.000 0.865 263 D CB 0.933 41.775 40.800 0.070 0.000 1.034 263 D HN 0.616 nan 8.370 nan 0.000 0.511 264 L N 3.147 124.395 121.223 0.043 0.000 2.187 264 L HA 0.041 4.384 4.340 0.005 0.000 0.213 264 L C 1.457 178.345 176.870 0.031 0.000 1.100 264 L CA 1.024 55.843 54.840 -0.037 0.000 0.765 264 L CB -0.872 41.083 42.059 -0.173 0.000 0.904 264 L HN 0.750 nan 8.230 nan 0.000 0.437 265 G N 0.103 108.963 108.800 0.101 0.000 2.785 265 G HA2 -0.206 3.757 3.960 0.005 0.000 0.685 265 G HA3 -0.206 3.757 3.960 0.005 0.000 0.685 265 G C -0.604 174.420 174.900 0.206 0.000 1.480 265 G CA -0.640 44.530 45.100 0.117 0.000 0.915 265 G HN 0.202 nan 8.290 nan 0.000 0.576 266 D N 0.187 120.697 120.400 0.183 0.000 2.629 266 D HA 0.104 4.747 4.640 0.005 0.000 0.228 266 D C 0.741 177.255 176.300 0.358 0.000 1.127 266 D CA 0.919 55.063 54.000 0.240 0.000 0.855 266 D CB 0.117 41.006 40.800 0.149 0.000 1.180 266 D HN 0.195 nan 8.370 nan 0.000 0.484 267 F N 2.505 122.495 119.950 0.067 0.000 2.427 267 F HA 0.240 4.770 4.527 0.005 0.000 0.352 267 F C -1.364 174.508 175.800 0.119 0.000 1.100 267 F CA -2.376 55.662 58.000 0.062 0.000 1.191 267 F CB -0.062 38.990 39.000 0.088 0.000 1.128 267 F HN 0.042 nan 8.300 nan 0.000 0.533 268 P HA 0.302 nan 4.420 nan 0.000 0.274 268 P C -1.023 176.430 177.300 0.256 0.000 1.246 268 P CA -0.220 62.979 63.100 0.165 0.000 0.795 268 P CB 0.908 32.648 31.700 0.067 0.000 1.006 269 V N 2.185 122.230 119.914 0.219 0.000 2.709 269 V HA 0.585 4.708 4.120 0.005 0.000 0.308 269 V C -0.198 175.993 176.094 0.161 0.000 1.062 269 V CA -0.422 62.027 62.300 0.249 0.000 0.901 269 V CB 1.811 33.747 31.823 0.188 0.000 1.003 269 V HN 0.556 nan 8.190 nan 0.000 0.425 270 M N 2.631 122.326 119.600 0.159 0.000 2.631 270 M HA 0.647 5.130 4.480 0.005 0.000 0.288 270 M C -0.470 175.873 176.300 0.071 0.000 1.260 270 M CA -0.381 54.981 55.300 0.103 0.000 0.842 270 M CB 2.942 35.607 32.600 0.108 0.000 1.743 270 M HN 0.849 nan 8.290 nan 0.000 0.461 271 T N -1.149 113.424 114.554 0.031 0.000 2.902 271 T HA 0.329 4.682 4.350 0.005 0.000 0.283 271 T C 0.607 175.284 174.700 -0.039 0.000 1.009 271 T CA -0.704 61.403 62.100 0.012 0.000 1.051 271 T CB 0.899 69.783 68.868 0.027 0.000 0.999 271 T HN 0.626 nan 8.240 nan 0.000 0.474 272 F N 2.362 122.155 119.950 -0.261 0.000 2.147 272 F HA -0.130 4.400 4.527 0.005 0.000 0.301 272 F C 2.327 178.043 175.800 -0.141 0.000 1.084 272 F CA 2.063 59.860 58.000 -0.339 0.000 1.268 272 F CB -0.745 37.975 39.000 -0.466 0.000 1.009 272 F HN 0.772 nan 8.300 nan 0.000 0.486 273 A N -0.035 122.772 122.820 -0.022 0.000 1.898 273 A HA -0.175 4.148 4.320 0.005 0.000 0.216 273 A C 2.103 179.599 177.584 -0.146 0.000 1.181 273 A CA 1.756 53.748 52.037 -0.074 0.000 0.620 273 A CB -0.855 18.175 19.000 0.050 0.000 0.819 273 A HN 0.563 nan 8.150 nan 0.000 0.442 274 E N -0.259 119.885 120.200 -0.094 0.000 2.150 274 E HA -0.038 4.315 4.350 0.005 0.000 0.193 274 E C 2.263 178.800 176.600 -0.106 0.000 0.985 274 E CA 0.830 57.180 56.400 -0.084 0.000 0.814 274 E CB -0.251 29.433 29.700 -0.028 0.000 0.752 274 E HN 0.618 nan 8.360 nan 0.000 0.466 275 A N 1.616 124.373 122.820 -0.105 0.000 1.877 275 A HA -0.214 4.109 4.320 0.005 0.000 0.216 275 A C 1.978 179.490 177.584 -0.121 0.000 1.186 275 A CA 1.273 53.297 52.037 -0.022 0.000 0.620 275 A CB -0.309 18.645 19.000 -0.077 0.000 0.822 275 A HN 0.091 nan 8.150 nan 0.000 0.443 276 E N -0.495 119.517 120.200 -0.313 0.000 2.110 276 E HA -0.198 4.155 4.350 0.005 0.000 0.193 276 E C 2.192 178.676 176.600 -0.192 0.000 0.988 276 E CA 1.075 57.305 56.400 -0.284 0.000 0.804 276 E CB -0.291 29.159 29.700 -0.417 0.000 0.745 276 E HN 0.647 nan 8.360 nan 0.000 0.458 277 R N 0.956 121.339 120.500 -0.194 0.000 2.061 277 R HA -0.053 4.290 4.340 0.005 0.000 0.230 277 R C 2.434 178.592 176.300 -0.235 0.000 1.140 277 R CA 1.209 57.206 56.100 -0.172 0.000 0.940 277 R CB 0.071 30.284 30.300 -0.145 0.000 0.839 277 R HN -0.001 nan 8.270 nan 0.000 0.429 278 R N -1.277 119.014 120.500 -0.348 0.000 2.062 278 R HA -0.103 4.240 4.340 0.005 0.000 0.229 278 R C 1.493 177.310 176.300 -0.804 0.000 1.128 278 R CA 1.629 57.337 56.100 -0.654 0.000 0.960 278 R CB -0.028 29.698 30.300 -0.957 0.000 0.855 278 R HN 0.332 nan 8.270 nan 0.000 0.432 279 Y N -1.732 118.508 120.300 -0.101 0.000 2.430 279 Y HA 0.346 4.899 4.550 0.005 0.000 0.248 279 Y C 1.308 177.144 175.900 -0.106 0.000 1.108 279 Y CA 0.050 58.091 58.100 -0.099 0.000 1.264 279 Y CB 0.690 39.093 38.460 -0.094 0.000 1.172 279 Y HN 0.196 nan 8.280 nan 0.000 0.520 280 G N 1.139 109.910 108.800 -0.047 0.000 2.225 280 G HA2 -0.239 3.724 3.960 0.005 0.000 0.267 280 G HA3 -0.239 3.724 3.960 0.005 0.000 0.267 280 G C 0.125 175.001 174.900 -0.041 0.000 1.024 280 G CA 0.727 45.788 45.100 -0.065 0.000 0.784 280 G HN 0.510 nan 8.290 nan 0.000 0.507 281 S N -1.099 114.588 115.700 -0.021 0.000 2.556 281 S HA 0.557 5.030 4.470 0.005 0.000 0.271 281 S C 0.325 174.911 174.600 -0.023 0.000 1.135 281 S CA 0.437 58.633 58.200 -0.006 0.000 0.858 281 S CB 1.631 64.837 63.200 0.010 0.000 1.114 281 S HN 0.559 nan 8.310 nan 0.000 0.468 282 D N 1.483 121.906 120.400 0.037 0.000 2.340 282 D HA 0.128 4.772 4.640 0.005 0.000 0.217 282 D C 0.286 176.680 176.300 0.157 0.000 1.081 282 D CA 0.001 54.061 54.000 0.100 0.000 0.842 282 D CB -0.159 40.860 40.800 0.365 0.000 0.934 282 D HN 0.632 nan 8.370 nan 0.000 0.511 283 K N -0.170 120.278 120.400 0.080 0.000 3.029 283 K HA 0.410 4.733 4.320 0.005 0.000 0.169 283 K C -3.058 173.507 176.600 -0.058 0.000 1.090 283 K CA -1.669 54.645 56.287 0.044 0.000 0.883 283 K CB 1.127 33.665 32.500 0.064 0.000 1.080 283 K HN -0.192 nan 8.250 nan 0.000 0.613 284 P HA -0.053 nan 4.420 nan 0.000 0.265 284 P C -0.796 176.309 177.300 -0.326 0.000 1.193 284 P CA 0.106 63.029 63.100 -0.295 0.000 0.765 284 P CB 0.532 31.864 31.700 -0.613 0.000 0.823 285 D N 3.257 123.476 120.400 -0.301 0.000 2.359 285 D HA 0.114 4.757 4.640 0.005 0.000 0.230 285 D C 0.113 176.235 176.300 -0.295 0.000 1.118 285 D CA -0.250 53.596 54.000 -0.258 0.000 0.844 285 D CB 0.497 41.174 40.800 -0.205 0.000 1.059 285 D HN 0.039 nan 8.370 nan 0.000 0.493 286 L N 4.098 125.145 121.223 -0.292 0.000 2.685 286 L HA 0.239 4.582 4.340 0.005 0.000 0.233 286 L C 2.057 178.831 176.870 -0.159 0.000 1.173 286 L CA 0.294 54.977 54.840 -0.260 0.000 0.961 286 L CB -0.412 41.488 42.059 -0.264 0.000 1.217 286 L HN 0.319 nan 8.230 nan 0.000 0.478 287 R N -0.587 119.823 120.500 -0.151 0.000 2.275 287 R HA 0.063 4.406 4.340 0.005 0.000 0.199 287 R C 0.623 176.863 176.300 -0.101 0.000 0.989 287 R CA 0.024 56.047 56.100 -0.127 0.000 1.016 287 R CB 0.145 30.358 30.300 -0.145 0.000 0.918 287 R HN 0.232 nan 8.270 nan 0.000 0.473 288 N N 1.284 119.927 118.700 -0.095 0.000 2.422 288 N HA 0.072 4.815 4.740 0.005 0.000 0.266 288 N C -1.864 173.629 175.510 -0.027 0.000 1.007 288 N CA -1.942 51.071 53.050 -0.061 0.000 0.941 288 N CB 1.732 40.185 38.487 -0.057 0.000 1.115 288 N HN -0.122 nan 8.380 nan 0.000 0.492 289 P HA -0.022 nan 4.420 nan 0.000 0.225 289 P C 0.745 178.062 177.300 0.028 0.000 1.156 289 P CA 0.592 63.695 63.100 0.004 0.000 0.787 289 P CB 0.556 32.249 31.700 -0.012 0.000 0.802 290 M N 0.357 119.966 119.600 0.016 0.000 2.184 290 M HA 0.080 4.563 4.480 0.005 0.000 0.296 290 M C 0.812 177.129 176.300 0.027 0.000 1.165 290 M CA 1.019 56.322 55.300 0.005 0.000 1.175 290 M CB 0.089 32.679 32.600 -0.017 0.000 1.392 290 M HN -0.002 nan 8.290 nan 0.000 0.457 291 E N 0.211 120.382 120.200 -0.049 0.000 2.401 291 E HA 0.491 4.844 4.350 0.005 0.000 0.280 291 E C -1.991 174.509 176.600 -0.166 0.000 1.039 291 E CA -0.862 55.451 56.400 -0.145 0.000 0.814 291 E CB 0.991 30.560 29.700 -0.219 0.000 1.275 291 E HN 0.574 nan 8.360 nan 0.000 0.448 292 L N 1.350 122.442 121.223 -0.219 0.000 2.334 292 L HA 0.535 4.878 4.340 0.005 0.000 0.277 292 L C -0.248 176.520 176.870 -0.169 0.000 1.075 292 L CA -0.674 54.063 54.840 -0.172 0.000 0.804 292 L CB 1.617 43.583 42.059 -0.155 0.000 1.174 292 L HN 0.589 nan 8.230 nan 0.000 0.438 293 T N 0.437 114.908 114.554 -0.138 0.000 2.824 293 T HA 0.237 4.590 4.350 0.005 0.000 0.282 293 T C -0.674 173.976 174.700 -0.084 0.000 0.993 293 T CA -0.645 61.387 62.100 -0.113 0.000 0.967 293 T CB 1.481 70.287 68.868 -0.104 0.000 0.960 293 T HN 0.393 nan 8.240 nan 0.000 0.441 294 D N 2.153 122.511 120.400 -0.070 0.000 2.304 294 D HA 0.291 4.934 4.640 0.005 0.000 0.250 294 D C 0.833 177.115 176.300 -0.030 0.000 1.107 294 D CA 0.028 54.001 54.000 -0.046 0.000 0.885 294 D CB 1.613 42.386 40.800 -0.045 0.000 1.192 294 D HN 0.448 nan 8.370 nan 0.000 0.436 295 V N -0.059 119.845 119.914 -0.016 0.000 3.261 295 V HA 0.344 4.467 4.120 0.005 0.000 0.330 295 V C 1.380 177.454 176.094 -0.032 0.000 1.461 295 V CA 0.246 62.540 62.300 -0.010 0.000 1.127 295 V CB 0.263 32.105 31.823 0.033 0.000 1.044 295 V HN 0.457 nan 8.190 nan 0.000 0.499 296 A N 2.648 125.451 122.820 -0.029 0.000 1.859 296 A HA -0.264 4.059 4.320 0.005 0.000 0.217 296 A C 1.986 179.559 177.584 -0.017 0.000 1.198 296 A CA 2.544 54.565 52.037 -0.027 0.000 0.629 296 A CB -0.853 18.141 19.000 -0.010 0.000 0.830 296 A HN 0.807 nan 8.150 nan 0.000 0.446 297 D N -0.341 120.052 120.400 -0.011 0.000 2.271 297 D HA -0.154 4.489 4.640 0.005 0.000 0.207 297 D C 1.417 177.715 176.300 -0.003 0.000 0.983 297 D CA 1.076 55.074 54.000 -0.004 0.000 0.878 297 D CB -0.445 40.353 40.800 -0.004 0.000 0.920 297 D HN 0.314 nan 8.370 nan 0.000 0.479 298 L N -0.577 120.640 121.223 -0.011 0.000 2.492 298 L HA 0.157 4.500 4.340 0.005 0.000 0.223 298 L C 1.883 178.749 176.870 -0.007 0.000 1.132 298 L CA 0.807 55.642 54.840 -0.009 0.000 0.850 298 L CB -0.210 41.842 42.059 -0.012 0.000 0.966 298 L HN 0.065 nan 8.230 nan 0.000 0.454 299 L N -2.371 118.845 121.223 -0.011 0.000 3.069 299 L HA 0.162 4.505 4.340 0.005 0.000 0.271 299 L C 1.776 178.676 176.870 0.050 0.000 1.201 299 L CA -0.070 54.780 54.840 0.017 0.000 1.015 299 L CB -0.031 42.006 42.059 -0.036 0.000 1.371 299 L HN -0.032 nan 8.230 nan 0.000 0.574 300 K N 0.103 120.522 120.400 0.032 0.000 2.281 300 K HA -0.053 4.270 4.320 0.005 0.000 0.203 300 K C 1.544 178.169 176.600 0.041 0.000 1.046 300 K CA 1.180 57.487 56.287 0.034 0.000 0.938 300 K CB 0.104 32.617 32.500 0.021 0.000 0.737 300 K HN 0.172 nan 8.250 nan 0.000 0.458 301 S N 0.138 115.865 115.700 0.046 0.000 2.523 301 S HA 0.038 4.511 4.470 0.005 0.000 0.217 301 S C 0.408 175.046 174.600 0.062 0.000 0.996 301 S CA -0.306 57.921 58.200 0.045 0.000 0.921 301 S CB 0.480 63.700 63.200 0.034 0.000 0.829 301 S HN 0.213 nan 8.310 nan 0.000 0.495 302 V N 1.224 121.193 119.914 0.092 0.000 3.287 302 V HA 0.236 4.359 4.120 0.005 0.000 0.306 302 V C 0.961 177.126 176.094 0.119 0.000 1.103 302 V CA 0.097 62.471 62.300 0.124 0.000 1.159 302 V CB 0.458 32.401 31.823 0.200 0.000 1.036 302 V HN 0.083 nan 8.190 nan 0.000 0.487 303 E N 1.180 121.452 120.200 0.121 0.000 2.299 303 E HA 0.172 4.525 4.350 0.005 0.000 0.193 303 E C 0.475 177.142 176.600 0.112 0.000 0.998 303 E CA 0.170 56.623 56.400 0.088 0.000 0.851 303 E CB -0.202 29.535 29.700 0.062 0.000 0.795 303 E HN 0.663 nan 8.360 nan 0.000 0.492 304 F N 1.416 121.326 119.950 -0.068 0.000 2.518 304 F HA 0.103 4.633 4.527 0.005 0.000 0.375 304 F C 1.345 177.070 175.800 -0.126 0.000 1.097 304 F CA -0.778 57.112 58.000 -0.183 0.000 1.108 304 F CB 0.179 39.072 39.000 -0.179 0.000 1.078 304 F HN -0.006 nan 8.300 nan 0.000 0.564 305 A N 5.347 128.000 122.820 -0.279 0.000 1.902 305 A HA -0.136 4.187 4.320 0.005 0.000 0.217 305 A C 2.210 179.547 177.584 -0.411 0.000 1.181 305 A CA 1.833 53.705 52.037 -0.277 0.000 0.623 305 A CB -1.038 17.827 19.000 -0.225 0.000 0.818 305 A HN 0.609 nan 8.150 nan 0.000 0.443 306 V N -1.113 118.283 119.914 -0.863 0.000 2.370 306 V HA -0.302 3.821 4.120 0.005 0.000 0.252 306 V C 2.272 178.176 176.094 -0.316 0.000 1.068 306 V CA 2.353 64.198 62.300 -0.758 0.000 1.061 306 V CB -0.921 30.120 31.823 -1.302 0.000 0.656 306 V HN 0.556 nan 8.190 nan 0.000 0.455 307 F N -0.121 119.627 119.950 -0.337 0.000 2.298 307 F HA 0.343 4.873 4.527 0.005 0.000 0.282 307 F C 2.409 178.173 175.800 -0.061 0.000 1.045 307 F CA 0.234 58.176 58.000 -0.097 0.000 1.280 307 F CB -1.605 37.415 39.000 0.033 0.000 1.114 307 F HN 0.054 nan 8.300 nan 0.000 0.546 308 A N 0.688 123.603 122.820 0.158 0.000 1.927 308 A HA -0.182 4.141 4.320 0.005 0.000 0.220 308 A C 2.501 180.107 177.584 0.038 0.000 1.185 308 A CA 2.330 54.418 52.037 0.085 0.000 0.639 308 A CB -1.568 17.468 19.000 0.060 0.000 0.820 308 A HN 0.419 nan 8.150 nan 0.000 0.451 309 G N -0.330 108.471 108.800 0.003 0.000 2.505 309 G HA2 -0.088 3.875 3.960 0.005 0.000 0.214 309 G HA3 -0.088 3.875 3.960 0.005 0.000 0.214 309 G C -0.255 174.652 174.900 0.012 0.000 1.237 309 G CA 1.173 46.269 45.100 -0.006 0.000 0.802 309 G HN 0.491 nan 8.290 nan 0.000 0.549 310 P HA -0.056 nan 4.420 nan 0.000 0.217 310 P C 1.995 179.316 177.300 0.034 0.000 1.148 310 P CA 1.904 65.023 63.100 0.032 0.000 0.828 310 P CB -0.083 31.650 31.700 0.054 0.000 0.783 311 A N -0.735 122.111 122.820 0.043 0.000 1.929 311 A HA -0.158 4.165 4.320 0.005 0.000 0.216 311 A C 2.190 179.787 177.584 0.022 0.000 1.176 311 A CA 1.497 53.552 52.037 0.029 0.000 0.628 311 A CB -1.075 17.946 19.000 0.036 0.000 0.816 311 A HN 0.131 nan 8.150 nan 0.000 0.444 312 N N 0.207 118.921 118.700 0.023 0.000 2.376 312 N HA -0.053 4.690 4.740 0.005 0.000 0.177 312 N C 0.071 175.589 175.510 0.013 0.000 1.024 312 N CA 0.284 53.343 53.050 0.017 0.000 0.893 312 N CB -0.169 38.327 38.487 0.016 0.000 0.980 312 N HN 0.437 nan 8.380 nan 0.000 0.439 313 D N 1.943 122.351 120.400 0.013 0.000 2.488 313 D HA -0.026 4.617 4.640 0.005 0.000 0.238 313 D C -1.328 174.980 176.300 0.014 0.000 1.138 313 D CA -1.169 52.838 54.000 0.012 0.000 0.873 313 D CB 1.610 42.417 40.800 0.012 0.000 1.183 313 D HN 0.125 nan 8.370 nan 0.000 0.458 314 P HA -0.095 nan 4.420 nan 0.000 0.222 314 P C 0.334 177.646 177.300 0.019 0.000 1.153 314 P CA 1.018 64.128 63.100 0.016 0.000 0.798 314 P CB 0.086 31.796 31.700 0.016 0.000 0.796 315 K N -0.209 120.204 120.400 0.020 0.000 2.570 315 K HA 0.507 4.830 4.320 0.005 0.000 0.210 315 K C 0.731 177.344 176.600 0.023 0.000 1.048 315 K CA -0.447 55.854 56.287 0.024 0.000 1.167 315 K CB 0.430 32.946 32.500 0.026 0.000 0.892 315 K HN -0.058 nan 8.250 nan 0.000 0.480 316 G N 1.498 110.310 108.800 0.020 0.000 2.569 316 G HA2 0.622 4.585 3.960 0.005 0.000 0.300 316 G HA3 0.622 4.585 3.960 0.005 0.000 0.300 316 G C -1.321 173.590 174.900 0.019 0.000 1.269 316 G CA -1.110 44.002 45.100 0.021 0.000 0.959 316 G HN 0.312 nan 8.290 nan 0.000 0.478 317 R N -1.394 119.119 120.500 0.022 0.000 2.799 317 R HA 0.751 5.094 4.340 0.005 0.000 0.270 317 R C -2.000 174.318 176.300 0.030 0.000 1.010 317 R CA -0.917 55.192 56.100 0.016 0.000 0.916 317 R CB 2.084 32.385 30.300 0.002 0.000 1.228 317 R HN 0.320 nan 8.270 nan 0.000 0.469 318 V N 1.225 121.150 119.914 0.019 0.000 2.357 318 V HA 0.562 4.685 4.120 0.005 0.000 0.281 318 V C -0.467 175.646 176.094 0.032 0.000 1.015 318 V CA -0.581 61.737 62.300 0.030 0.000 0.827 318 V CB 1.132 32.930 31.823 -0.042 0.000 1.018 318 V HN 0.923 nan 8.190 nan 0.000 0.432 319 A N 4.032 126.881 122.820 0.047 0.000 2.301 319 A HA 0.914 5.237 4.320 0.005 0.000 0.312 319 A C 0.238 177.806 177.584 -0.027 0.000 1.182 319 A CA -0.195 51.841 52.037 -0.002 0.000 0.826 319 A CB 1.155 20.139 19.000 -0.027 0.000 1.134 319 A HN 1.195 nan 8.150 nan 0.000 0.501 320 A N 1.994 124.735 122.820 -0.132 0.000 2.288 320 A HA 0.622 4.945 4.320 0.005 0.000 0.320 320 A C -0.835 176.584 177.584 -0.274 0.000 1.217 320 A CA -0.417 51.395 52.037 -0.375 0.000 0.840 320 A CB 0.552 19.303 19.000 -0.415 0.000 1.179 320 A HN 1.326 nan 8.150 nan 0.000 0.504 321 L N 3.056 124.123 121.223 -0.261 0.000 2.298 321 L HA 0.496 4.840 4.340 0.005 0.000 0.284 321 L C 0.262 177.040 176.870 -0.154 0.000 1.013 321 L CA -0.294 54.465 54.840 -0.135 0.000 0.824 321 L CB 1.107 43.152 42.059 -0.024 0.000 1.221 321 L HN 0.729 nan 8.230 nan 0.000 0.418 322 R N 5.132 125.546 120.500 -0.143 0.000 2.207 322 R HA 0.517 4.860 4.340 0.005 0.000 0.334 322 R C -1.420 174.827 176.300 -0.087 0.000 1.013 322 R CA -0.425 55.594 56.100 -0.135 0.000 0.858 322 R CB 1.202 31.430 30.300 -0.119 0.000 1.094 322 R HN 0.571 nan 8.270 nan 0.000 0.457 323 V N 5.072 124.934 119.914 -0.087 0.000 2.311 323 V HA 0.473 4.596 4.120 0.005 0.000 0.275 323 V C -2.390 173.670 176.094 -0.056 0.000 1.022 323 V CA -2.518 59.752 62.300 -0.050 0.000 0.830 323 V CB 1.257 33.078 31.823 -0.004 0.000 1.012 323 V HN 0.704 nan 8.190 nan 0.000 0.452 324 P HA 0.146 nan 4.420 nan 0.000 0.260 324 P C 0.873 178.154 177.300 -0.032 0.000 1.185 324 P CA 1.754 64.831 63.100 -0.039 0.000 0.763 324 P CB 0.657 32.338 31.700 -0.032 0.000 0.776 325 G N 2.936 111.715 108.800 -0.034 0.000 2.225 325 G HA2 -0.201 3.762 3.960 0.005 0.000 0.264 325 G HA3 -0.201 3.762 3.960 0.005 0.000 0.264 325 G C 0.850 175.734 174.900 -0.027 0.000 1.060 325 G CA -0.025 45.059 45.100 -0.027 0.000 0.833 325 G HN 0.775 nan 8.290 nan 0.000 0.498 326 G N -0.947 107.825 108.800 -0.047 0.000 2.921 326 G HA2 0.489 4.452 3.960 0.005 0.000 0.213 326 G HA3 0.489 4.452 3.960 0.005 0.000 0.213 326 G C 1.718 176.569 174.900 -0.081 0.000 1.143 326 G CA 1.634 46.703 45.100 -0.051 0.000 0.764 326 G HN 1.387 nan 8.290 nan 0.000 0.542 327 A N 1.550 124.322 122.820 -0.080 0.000 1.940 327 A HA -0.027 4.296 4.320 0.005 0.000 0.219 327 A C 2.218 179.769 177.584 -0.054 0.000 1.176 327 A CA 1.804 53.797 52.037 -0.074 0.000 0.631 327 A CB -0.661 18.313 19.000 -0.044 0.000 0.814 327 A HN 0.705 nan 8.150 nan 0.000 0.446 328 S N -0.602 115.077 115.700 -0.035 0.000 3.305 328 S HA 0.427 4.900 4.470 0.005 0.000 0.248 328 S C -0.283 174.307 174.600 -0.016 0.000 1.288 328 S CA -0.207 57.980 58.200 -0.021 0.000 1.249 328 S CB -0.748 62.444 63.200 -0.014 0.000 1.116 328 S HN 0.244 nan 8.310 nan 0.000 0.465 329 L N 1.562 122.768 121.223 -0.028 0.000 2.346 329 L HA 0.519 4.862 4.340 0.005 0.000 0.274 329 L C 0.029 176.883 176.870 -0.027 0.000 1.007 329 L CA -0.059 54.776 54.840 -0.008 0.000 0.818 329 L CB 1.872 43.949 42.059 0.029 0.000 1.284 329 L HN 0.225 nan 8.230 nan 0.000 0.424 330 T N 3.015 117.560 114.554 -0.015 0.000 2.919 330 T HA 0.125 4.478 4.350 0.005 0.000 0.302 330 T C 1.240 175.928 174.700 -0.020 0.000 1.031 330 T CA -0.118 61.969 62.100 -0.021 0.000 1.127 330 T CB 0.956 69.807 68.868 -0.028 0.000 0.952 330 T HN 0.642 nan 8.240 nan 0.000 0.540 331 R N 2.682 123.178 120.500 -0.007 0.000 2.091 331 R HA -0.117 4.226 4.340 0.005 0.000 0.238 331 R C 2.188 178.494 176.300 0.010 0.000 1.136 331 R CA 1.655 57.765 56.100 0.017 0.000 0.959 331 R CB -0.227 30.094 30.300 0.035 0.000 0.856 331 R HN 0.521 nan 8.270 nan 0.000 0.437 332 K N 0.703 121.096 120.400 -0.011 0.000 1.991 332 K HA -0.227 4.096 4.320 0.005 0.000 0.212 332 K C 1.967 178.522 176.600 -0.075 0.000 1.049 332 K CA 2.327 58.595 56.287 -0.032 0.000 0.932 332 K CB -0.256 32.222 32.500 -0.037 0.000 0.717 332 K HN 0.504 nan 8.250 nan 0.000 0.441 333 Q N 0.117 119.857 119.800 -0.101 0.000 2.084 333 Q HA -0.079 4.264 4.340 0.005 0.000 0.202 333 Q C 2.213 178.093 176.000 -0.200 0.000 0.978 333 Q CA 1.568 57.242 55.803 -0.215 0.000 0.844 333 Q CB -0.107 28.541 28.738 -0.150 0.000 0.898 333 Q HN 0.413 nan 8.270 nan 0.000 0.426 334 I N 0.827 121.397 120.570 -0.000 0.000 2.916 334 I HA -0.190 3.983 4.170 0.005 0.000 0.267 334 I C 1.323 177.509 176.117 0.116 0.000 1.263 334 I CA 0.688 62.075 61.300 0.144 0.000 1.471 334 I CB -0.172 37.879 38.000 0.084 0.000 1.089 334 I HN 0.167 nan 8.210 nan 0.000 0.468 335 D N 0.640 121.061 120.400 0.034 0.000 2.277 335 D HA -0.060 4.583 4.640 0.005 0.000 0.209 335 D C 1.916 178.229 176.300 0.021 0.000 0.970 335 D CA 0.615 54.647 54.000 0.053 0.000 0.874 335 D CB 0.254 41.078 40.800 0.040 0.000 0.982 335 D HN 0.406 nan 8.370 nan 0.000 0.504 336 E N 0.411 120.562 120.200 -0.081 0.000 2.017 336 E HA -0.189 4.164 4.350 0.005 0.000 0.193 336 E C 2.047 178.661 176.600 0.024 0.000 0.997 336 E CA 0.944 57.283 56.400 -0.101 0.000 0.804 336 E CB -0.221 29.304 29.700 -0.292 0.000 0.757 336 E HN 0.302 nan 8.360 nan 0.000 0.448 337 Y N 0.838 121.138 120.300 0.001 0.000 2.165 337 Y HA -0.153 4.400 4.550 0.005 0.000 0.286 337 Y C 2.614 178.537 175.900 0.039 0.000 1.155 337 Y CA 1.131 59.221 58.100 -0.017 0.000 1.164 337 Y CB -1.304 37.000 38.460 -0.261 0.000 0.978 337 Y HN 0.114 nan 8.280 nan 0.000 0.513 338 G N 0.103 109.014 108.800 0.185 0.000 2.469 338 G HA2 -0.296 3.667 3.960 0.005 0.000 0.219 338 G HA3 -0.296 3.667 3.960 0.005 0.000 0.219 338 G C 1.684 176.671 174.900 0.144 0.000 1.150 338 G CA 1.324 46.518 45.100 0.156 0.000 0.763 338 G HN 0.347 nan 8.290 nan 0.000 0.561 339 N N 0.225 119.012 118.700 0.145 0.000 2.092 339 N HA -0.076 4.667 4.740 0.005 0.000 0.189 339 N C 1.894 177.505 175.510 0.169 0.000 1.040 339 N CA 0.893 54.019 53.050 0.127 0.000 0.845 339 N CB -0.734 37.816 38.487 0.104 0.000 1.017 339 N HN 0.281 nan 8.380 nan 0.000 0.426 340 F N 2.992 122.996 119.950 0.090 0.000 2.082 340 F HA -0.264 4.266 4.527 0.005 0.000 0.298 340 F C 2.216 178.135 175.800 0.198 0.000 1.091 340 F CA 1.616 59.700 58.000 0.140 0.000 1.230 340 F CB -0.554 38.548 39.000 0.171 0.000 0.983 340 F HN -0.063 nan 8.300 nan 0.000 0.485 341 V N -2.213 117.742 119.914 0.068 0.000 2.913 341 V HA -0.145 3.978 4.120 0.005 0.000 0.260 341 V C 2.187 178.294 176.094 0.022 0.000 1.098 341 V CA 1.774 64.063 62.300 -0.019 0.000 1.121 341 V CB -0.937 30.911 31.823 0.041 0.000 0.714 341 V HN 0.172 nan 8.190 nan 0.000 0.487 342 K N 0.950 121.360 120.400 0.017 0.000 2.148 342 K HA 0.194 4.517 4.320 0.005 0.000 0.204 342 K C 1.775 178.340 176.600 -0.059 0.000 1.050 342 K CA 1.434 57.722 56.287 0.001 0.000 0.942 342 K CB -0.653 31.854 32.500 0.012 0.000 0.724 342 K HN 0.600 nan 8.250 nan 0.000 0.446 343 I N -0.366 120.118 120.570 -0.142 0.000 2.700 343 I HA -0.247 3.926 4.170 0.005 0.000 0.261 343 I C 0.702 176.517 176.117 -0.504 0.000 1.219 343 I CA 1.169 62.263 61.300 -0.343 0.000 1.463 343 I CB -0.091 37.595 38.000 -0.524 0.000 1.092 343 I HN 0.155 nan 8.210 nan 0.000 0.452 344 Y N -0.157 120.030 120.300 -0.189 0.000 2.531 344 Y HA 0.410 4.963 4.550 0.005 0.000 0.249 344 Y C 1.596 177.447 175.900 -0.081 0.000 1.168 344 Y CA 0.122 58.141 58.100 -0.136 0.000 1.226 344 Y CB 0.635 38.995 38.460 -0.165 0.000 1.177 344 Y HN 0.141 nan 8.280 nan 0.000 0.527 345 G N -0.174 108.647 108.800 0.034 0.000 2.184 345 G HA2 -0.105 3.858 3.960 0.005 0.000 0.206 345 G HA3 -0.105 3.858 3.960 0.005 0.000 0.206 345 G C 0.265 175.184 174.900 0.033 0.000 0.995 345 G CA -0.348 44.768 45.100 0.026 0.000 0.651 345 G HN 0.543 nan 8.290 nan 0.000 0.511 346 A N -0.081 122.765 122.820 0.044 0.000 2.401 346 A HA 0.724 5.047 4.320 0.005 0.000 0.259 346 A C 1.112 178.720 177.584 0.041 0.000 1.103 346 A CA 0.959 53.024 52.037 0.047 0.000 0.789 346 A CB 0.517 19.551 19.000 0.057 0.000 1.035 346 A HN 0.258 nan 8.150 nan 0.000 0.491 347 K N 0.960 121.383 120.400 0.039 0.000 2.361 347 K HA 0.281 4.604 4.320 0.005 0.000 0.196 347 K C 0.926 177.555 176.600 0.048 0.000 1.039 347 K CA 1.107 57.411 56.287 0.028 0.000 1.001 347 K CB 0.374 32.877 32.500 0.004 0.000 0.795 347 K HN 0.930 nan 8.250 nan 0.000 0.495 348 G N -0.679 108.166 108.800 0.076 0.000 2.490 348 G HA2 0.466 4.429 3.960 0.005 0.000 0.308 348 G HA3 0.466 4.429 3.960 0.005 0.000 0.308 348 G C -2.019 172.979 174.900 0.163 0.000 1.286 348 G CA -0.696 44.472 45.100 0.113 0.000 0.825 348 G HN -0.037 nan 8.290 nan 0.000 0.479 349 L N 0.613 121.974 121.223 0.229 0.000 2.422 349 L HA 0.700 5.043 4.340 0.005 0.000 0.263 349 L C 0.616 177.774 176.870 0.480 0.000 1.372 349 L CA 0.066 55.097 54.840 0.319 0.000 0.857 349 L CB 0.423 42.617 42.059 0.224 0.000 1.024 349 L HN 1.236 nan 8.230 nan 0.000 0.507 350 A N 2.232 125.333 122.820 0.469 0.000 2.455 350 A HA 0.511 4.834 4.320 0.005 0.000 0.244 350 A C -0.726 177.255 177.584 0.662 0.000 1.099 350 A CA 0.814 53.115 52.037 0.440 0.000 0.786 350 A CB 0.102 19.351 19.000 0.416 0.000 1.051 350 A HN 1.054 nan 8.150 nan 0.000 0.508 351 Y N -2.949 117.634 120.300 0.472 0.000 2.641 351 Y HA 0.714 5.267 4.550 0.005 0.000 0.333 351 Y C -1.359 174.690 175.900 0.250 0.000 1.174 351 Y CA -1.654 56.662 58.100 0.360 0.000 1.057 351 Y CB 0.805 39.334 38.460 0.114 0.000 1.322 351 Y HN 0.500 nan 8.280 nan 0.000 0.457 352 I N 3.075 123.884 120.570 0.397 0.000 2.447 352 I HA 0.371 4.544 4.170 0.005 0.000 0.287 352 I C -0.872 175.367 176.117 0.202 0.000 1.023 352 I CA -0.996 60.457 61.300 0.256 0.000 1.083 352 I CB 2.098 40.246 38.000 0.247 0.000 1.245 352 I HN 0.566 nan 8.210 nan 0.000 0.434 353 K N 5.075 125.600 120.400 0.208 0.000 2.258 353 K HA 0.445 4.768 4.320 0.005 0.000 0.284 353 K C -0.832 175.793 176.600 0.041 0.000 1.051 353 K CA -0.425 55.915 56.287 0.090 0.000 0.923 353 K CB 1.857 34.418 32.500 0.102 0.000 1.046 353 K HN 0.281 nan 8.250 nan 0.000 0.474 354 V N 5.168 125.084 119.914 0.003 0.000 2.311 354 V HA 0.072 4.195 4.120 0.005 0.000 0.275 354 V C 0.392 176.481 176.094 -0.008 0.000 1.022 354 V CA -0.434 61.866 62.300 -0.001 0.000 0.830 354 V CB 0.856 32.673 31.823 -0.011 0.000 1.012 354 V HN 0.789 nan 8.190 nan 0.000 0.452 355 N N 3.622 122.321 118.700 -0.001 0.000 2.428 355 N HA 0.075 4.818 4.740 0.005 0.000 0.181 355 N C 0.562 176.069 175.510 -0.006 0.000 1.028 355 N CA 0.335 53.383 53.050 -0.004 0.000 0.877 355 N CB 0.832 39.319 38.487 -0.000 0.000 1.064 355 N HN 0.716 nan 8.380 nan 0.000 0.434 356 E N 0.674 120.871 120.200 -0.005 0.000 2.649 356 E HA 0.205 4.558 4.350 0.005 0.000 0.310 356 E C 0.207 176.804 176.600 -0.005 0.000 1.036 356 E CA -0.181 56.216 56.400 -0.006 0.000 0.772 356 E CB 1.023 30.720 29.700 -0.005 0.000 1.513 356 E HN 0.003 nan 8.360 nan 0.000 0.384 357 R N 1.507 122.003 120.500 -0.005 0.000 2.094 357 R HA -0.205 4.138 4.340 0.005 0.000 0.239 357 R C 2.079 178.377 176.300 -0.005 0.000 1.137 357 R CA 1.779 57.877 56.100 -0.004 0.000 0.943 357 R CB -0.356 29.941 30.300 -0.005 0.000 0.850 357 R HN 0.518 nan 8.270 nan 0.000 0.433 358 A N 1.423 124.240 122.820 -0.006 0.000 2.023 358 A HA -0.283 4.041 4.320 0.005 0.000 0.223 358 A C 2.012 179.592 177.584 -0.006 0.000 1.180 358 A CA 2.011 54.045 52.037 -0.005 0.000 0.659 358 A CB -0.469 18.528 19.000 -0.006 0.000 0.817 358 A HN 0.305 nan 8.150 nan 0.000 0.466 359 K N -1.455 118.942 120.400 -0.006 0.000 2.444 359 K HA 0.318 4.641 4.320 0.005 0.000 0.193 359 K C 1.044 177.639 176.600 -0.008 0.000 1.024 359 K CA 0.695 56.978 56.287 -0.007 0.000 1.077 359 K CB -0.312 32.184 32.500 -0.007 0.000 0.833 359 K HN 0.764 nan 8.250 nan 0.000 0.517 360 G N 0.832 109.628 108.800 -0.007 0.000 2.512 360 G HA2 -0.338 3.625 3.960 0.005 0.000 0.240 360 G HA3 -0.338 3.625 3.960 0.005 0.000 0.240 360 G C 0.482 175.376 174.900 -0.010 0.000 1.246 360 G CA -0.017 45.078 45.100 -0.008 0.000 0.919 360 G HN 0.132 nan 8.290 nan 0.000 0.577 361 L N 0.977 122.190 121.223 -0.015 0.000 2.191 361 L HA -0.024 4.319 4.340 0.005 0.000 0.212 361 L C 2.518 179.375 176.870 -0.022 0.000 1.103 361 L CA 1.694 56.520 54.840 -0.022 0.000 0.769 361 L CB -0.382 41.658 42.059 -0.031 0.000 0.908 361 L HN 0.507 nan 8.230 nan 0.000 0.438 362 E N -0.008 120.181 120.200 -0.018 0.000 2.502 362 E HA -0.020 4.333 4.350 0.005 0.000 0.194 362 E C 1.905 178.499 176.600 -0.010 0.000 1.062 362 E CA 0.713 57.103 56.400 -0.016 0.000 0.867 362 E CB 0.185 29.876 29.700 -0.014 0.000 0.888 362 E HN 0.464 nan 8.360 nan 0.000 0.510 363 G N 1.152 109.948 108.800 -0.008 0.000 2.796 363 G HA2 0.128 4.091 3.960 0.005 0.000 0.210 363 G HA3 0.128 4.091 3.960 0.005 0.000 0.210 363 G C 1.067 175.968 174.900 0.000 0.000 1.146 363 G CA -0.070 45.027 45.100 -0.004 0.000 0.779 363 G HN 0.274 nan 8.290 nan 0.000 0.535 364 I N -2.937 117.633 120.570 0.000 0.000 3.076 364 I HA 0.599 4.772 4.170 0.005 0.000 0.313 364 I C -1.073 175.050 176.117 0.010 0.000 1.053 364 I CA -1.289 60.017 61.300 0.010 0.000 1.048 364 I CB 2.242 40.249 38.000 0.012 0.000 1.264 364 I HN -0.144 nan 8.210 nan 0.000 0.498 365 N N 1.375 120.094 118.700 0.031 0.000 2.549 365 N HA 0.366 5.109 4.740 0.005 0.000 0.290 365 N C -1.780 173.768 175.510 0.063 0.000 1.122 365 N CA -0.157 52.917 53.050 0.040 0.000 0.885 365 N CB 1.376 39.903 38.487 0.067 0.000 1.455 365 N HN 0.800 nan 8.380 nan 0.000 0.521 366 S N 3.356 119.036 115.700 -0.034 0.000 2.543 366 S HA 0.419 4.892 4.470 0.005 0.000 0.273 366 S C -2.449 172.002 174.600 -0.248 0.000 1.152 366 S CA -0.919 57.185 58.200 -0.161 0.000 0.910 366 S CB 1.699 64.821 63.200 -0.130 0.000 1.105 366 S HN 0.305 nan 8.310 nan 0.000 0.465 367 P HA -0.001 nan 4.420 nan 0.000 0.223 367 P C 1.166 178.232 177.300 -0.391 0.000 1.151 367 P CA 0.962 63.889 63.100 -0.289 0.000 0.787 367 P CB 0.062 31.623 31.700 -0.233 0.000 0.788 368 V N -5.152 114.534 119.914 -0.380 0.000 3.578 368 V HA 0.396 4.519 4.120 0.005 0.000 0.290 368 V C 1.928 177.737 176.094 -0.474 0.000 1.376 368 V CA 0.627 62.645 62.300 -0.470 0.000 1.083 368 V CB -1.024 30.679 31.823 -0.200 0.000 0.911 368 V HN -0.057 nan 8.190 nan 0.000 0.433 369 A N 1.841 124.449 122.820 -0.354 0.000 1.948 369 A HA -0.204 4.119 4.320 0.005 0.000 0.220 369 A C 2.218 179.597 177.584 -0.342 0.000 1.177 369 A CA 2.377 54.261 52.037 -0.255 0.000 0.636 369 A CB -0.526 18.367 19.000 -0.179 0.000 0.815 369 A HN 0.642 nan 8.150 nan 0.000 0.449 370 K N -0.931 119.137 120.400 -0.554 0.000 2.034 370 K HA -0.207 4.116 4.320 0.005 0.000 0.214 370 K C 1.435 177.742 176.600 -0.489 0.000 1.051 370 K CA 1.859 57.791 56.287 -0.592 0.000 0.931 370 K CB -0.581 31.388 32.500 -0.884 0.000 0.715 370 K HN 0.543 nan 8.250 nan 0.000 0.446 371 F N 0.614 120.386 119.950 -0.296 0.000 2.699 371 F HA 0.024 4.554 4.527 0.005 0.000 0.298 371 F C 1.334 177.041 175.800 -0.155 0.000 1.154 371 F CA 0.186 57.998 58.000 -0.313 0.000 1.457 371 F CB -0.519 38.041 39.000 -0.734 0.000 1.106 371 F HN -0.089 nan 8.300 nan 0.000 0.585 372 L N -0.105 121.097 121.223 -0.036 0.000 2.718 372 L HA 0.379 4.722 4.340 0.005 0.000 0.166 372 L C 0.141 177.004 176.870 -0.011 0.000 1.893 372 L CA -0.379 54.470 54.840 0.015 0.000 2.845 372 L CB -0.224 41.832 42.059 -0.004 0.000 2.993 372 L HN 0.251 nan 8.230 nan 0.000 0.684 373 N N -3.078 115.611 118.700 -0.018 0.000 3.356 373 N HA 0.295 5.038 4.740 0.005 0.000 0.246 373 N C -0.200 175.299 175.510 -0.018 0.000 1.480 373 N CA -0.035 53.002 53.050 -0.021 0.000 0.877 373 N CB 0.168 38.652 38.487 -0.005 0.000 1.431 373 N HN 0.382 nan 8.380 nan 0.000 0.500 374 A N 0.022 122.831 122.820 -0.017 0.000 1.883 374 A HA -0.170 4.153 4.320 0.005 0.000 0.217 374 A C 1.747 179.327 177.584 -0.006 0.000 1.186 374 A CA 2.063 54.092 52.037 -0.013 0.000 0.624 374 A CB -1.109 17.883 19.000 -0.013 0.000 0.822 374 A HN 0.810 nan 8.150 nan 0.000 0.444 375 E N -0.241 119.957 120.200 -0.003 0.000 2.031 375 E HA -0.183 4.170 4.350 0.005 0.000 0.193 375 E C 1.983 178.585 176.600 0.003 0.000 0.994 375 E CA 1.429 57.829 56.400 0.001 0.000 0.800 375 E CB -0.243 29.458 29.700 0.002 0.000 0.752 375 E HN 0.658 nan 8.360 nan 0.000 0.447 376 I N 1.051 121.624 120.570 0.004 0.000 2.163 376 I HA -0.316 3.857 4.170 0.005 0.000 0.243 376 I C 2.473 178.595 176.117 0.009 0.000 1.085 376 I CA 1.133 62.436 61.300 0.006 0.000 1.347 376 I CB -0.308 37.697 38.000 0.008 0.000 1.044 376 I HN 0.229 nan 8.210 nan 0.000 0.408 377 I N 0.104 120.679 120.570 0.008 0.000 2.493 377 I HA -0.217 3.956 4.170 0.005 0.000 0.254 377 I C 2.559 178.691 176.117 0.025 0.000 1.160 377 I CA 0.973 62.286 61.300 0.022 0.000 1.445 377 I CB -0.359 37.647 38.000 0.010 0.000 1.086 377 I HN 0.273 nan 8.210 nan 0.000 0.433 378 E N 0.869 121.077 120.200 0.012 0.000 2.072 378 E HA -0.176 4.178 4.350 0.005 0.000 0.190 378 E C 1.698 178.304 176.600 0.010 0.000 0.982 378 E CA 1.054 57.460 56.400 0.009 0.000 0.803 378 E CB -0.104 29.598 29.700 0.003 0.000 0.755 378 E HN 0.410 nan 8.360 nan 0.000 0.453 379 D N 0.576 120.982 120.400 0.010 0.000 2.104 379 D HA -0.141 4.502 4.640 0.005 0.000 0.194 379 D C 2.180 178.488 176.300 0.013 0.000 0.994 379 D CA 0.844 54.848 54.000 0.008 0.000 0.830 379 D CB -0.219 40.585 40.800 0.006 0.000 0.959 379 D HN 0.230 nan 8.370 nan 0.000 0.452 380 I N 0.790 121.377 120.570 0.028 0.000 2.179 380 I HA -0.244 3.929 4.170 0.005 0.000 0.242 380 I C 2.479 178.616 176.117 0.033 0.000 1.088 380 I CA 0.723 62.054 61.300 0.051 0.000 1.357 380 I CB -0.227 37.847 38.000 0.122 0.000 1.051 380 I HN -0.025 nan 8.210 nan 0.000 0.409 381 L N 0.152 121.393 121.223 0.031 0.000 2.191 381 L HA -0.224 4.119 4.340 0.005 0.000 0.212 381 L C 1.911 178.779 176.870 -0.004 0.000 1.103 381 L CA 1.150 55.997 54.840 0.011 0.000 0.769 381 L CB -0.585 41.481 42.059 0.012 0.000 0.908 381 L HN 0.256 nan 8.230 nan 0.000 0.438 382 D N -0.280 120.119 120.400 -0.001 0.000 2.091 382 D HA -0.149 4.494 4.640 0.005 0.000 0.199 382 D C 2.264 178.556 176.300 -0.014 0.000 0.980 382 D CA 0.837 54.833 54.000 -0.008 0.000 0.831 382 D CB 0.102 40.899 40.800 -0.005 0.000 0.987 382 D HN -0.034 nan 8.370 nan 0.000 0.460 383 R N -0.163 120.329 120.500 -0.013 0.000 2.083 383 R HA -0.112 4.231 4.340 0.005 0.000 0.237 383 R C 2.017 178.296 176.300 -0.035 0.000 1.137 383 R CA 2.099 58.186 56.100 -0.022 0.000 0.951 383 R CB -0.560 29.729 30.300 -0.019 0.000 0.851 383 R HN 0.324 nan 8.270 nan 0.000 0.434 384 T N -2.682 111.848 114.554 -0.040 0.000 3.113 384 T HA 0.245 4.598 4.350 0.005 0.000 0.256 384 T C 0.826 175.495 174.700 -0.051 0.000 1.131 384 T CA 0.375 62.439 62.100 -0.061 0.000 1.074 384 T CB 0.013 68.829 68.868 -0.086 0.000 0.944 384 T HN 0.378 nan 8.240 nan 0.000 0.516 385 A N 0.576 123.375 122.820 -0.036 0.000 2.667 385 A HA 0.139 4.462 4.320 0.005 0.000 0.298 385 A C 0.689 178.253 177.584 -0.034 0.000 1.483 385 A CA 0.302 52.321 52.037 -0.030 0.000 0.738 385 A CB -2.350 16.632 19.000 -0.030 0.000 1.067 385 A HN 1.653 nan 8.150 nan 0.000 0.451 386 A N 0.997 123.797 122.820 -0.033 0.000 2.454 386 A HA 0.533 4.856 4.320 0.005 0.000 0.260 386 A C 0.636 178.204 177.584 -0.027 0.000 1.106 386 A CA 0.033 52.049 52.037 -0.036 0.000 0.780 386 A CB 0.211 19.191 19.000 -0.034 0.000 1.044 386 A HN 0.661 nan 8.150 nan 0.000 0.498 387 Q N 1.359 121.142 119.800 -0.029 0.000 2.205 387 Q HA 0.235 4.578 4.340 0.005 0.000 0.249 387 Q C -0.814 175.172 176.000 -0.023 0.000 0.948 387 Q CA -0.674 55.116 55.803 -0.023 0.000 0.895 387 Q CB 0.974 29.699 28.738 -0.023 0.000 1.249 387 Q HN 0.693 nan 8.270 nan 0.000 0.458 388 D N 0.226 120.615 120.400 -0.018 0.000 2.493 388 D HA 0.242 4.885 4.640 0.005 0.000 0.240 388 D C 1.117 177.405 176.300 -0.020 0.000 1.142 388 D CA 1.377 55.367 54.000 -0.017 0.000 0.872 388 D CB 0.720 41.513 40.800 -0.013 0.000 1.173 388 D HN 0.790 nan 8.370 nan 0.000 0.467 389 G N 2.759 111.545 108.800 -0.023 0.000 2.376 389 G HA2 -0.227 3.736 3.960 0.005 0.000 0.208 389 G HA3 -0.227 3.736 3.960 0.005 0.000 0.208 389 G C 0.098 174.974 174.900 -0.040 0.000 1.032 389 G CA -0.307 44.776 45.100 -0.027 0.000 0.641 389 G HN 0.524 nan 8.290 nan 0.000 0.503 390 D N 1.054 121.427 120.400 -0.045 0.000 2.419 390 D HA 0.472 5.115 4.640 0.005 0.000 0.236 390 D C 0.480 176.723 176.300 -0.095 0.000 1.165 390 D CA 0.535 54.495 54.000 -0.066 0.000 0.882 390 D CB 0.911 41.672 40.800 -0.065 0.000 1.201 390 D HN 0.385 nan 8.370 nan 0.000 0.443 391 M N 2.046 121.555 119.600 -0.151 0.000 2.383 391 M HA 0.384 4.867 4.480 0.005 0.000 0.325 391 M C -1.713 174.396 176.300 -0.318 0.000 1.092 391 M CA -0.572 54.569 55.300 -0.265 0.000 0.961 391 M CB 1.445 33.799 32.600 -0.409 0.000 1.672 391 M HN 0.141 nan 8.290 nan 0.000 0.438 392 I N 5.636 126.024 120.570 -0.304 0.000 2.354 392 I HA 0.325 4.498 4.170 0.005 0.000 0.286 392 I C -1.129 174.752 176.117 -0.394 0.000 1.007 392 I CA -0.287 60.807 61.300 -0.344 0.000 1.167 392 I CB 0.213 38.051 38.000 -0.270 0.000 1.320 392 I HN 0.563 nan 8.210 nan 0.000 0.458 393 F N 5.971 125.795 119.950 -0.210 0.000 2.397 393 F HA 0.545 5.075 4.527 0.005 0.000 0.331 393 F C -0.094 175.548 175.800 -0.263 0.000 1.090 393 F CA -0.472 57.497 58.000 -0.052 0.000 1.065 393 F CB 1.233 40.223 39.000 -0.017 0.000 1.184 393 F HN 0.153 nan 8.300 nan 0.000 0.499 394 F N 0.732 120.894 119.950 0.354 0.000 2.507 394 F HA 0.625 5.155 4.527 0.005 0.000 0.325 394 F C 0.405 176.344 175.800 0.231 0.000 1.116 394 F CA -1.184 56.952 58.000 0.227 0.000 0.930 394 F CB 1.924 41.060 39.000 0.226 0.000 1.146 394 F HN 0.494 nan 8.300 nan 0.000 0.447 395 G N 1.410 110.390 108.800 0.300 0.000 2.502 395 G HA2 0.616 4.579 3.960 0.005 0.000 0.311 395 G HA3 0.616 4.579 3.960 0.005 0.000 0.311 395 G C -1.276 173.746 174.900 0.202 0.000 1.270 395 G CA -0.797 44.428 45.100 0.209 0.000 0.948 395 G HN 0.871 nan 8.290 nan 0.000 0.487 396 A N 2.960 125.915 122.820 0.225 0.000 2.709 396 A HA 0.690 5.013 4.320 0.005 0.000 0.332 396 A C -0.604 177.050 177.584 0.116 0.000 1.241 396 A CA -0.515 51.641 52.037 0.198 0.000 0.782 396 A CB 0.790 20.015 19.000 0.374 0.000 1.109 396 A HN 0.599 nan 8.150 nan 0.000 0.472 397 D N 0.238 120.684 120.400 0.076 0.000 3.561 397 D HA 0.167 4.810 4.640 0.005 0.000 0.302 397 D C -0.637 175.684 176.300 0.035 0.000 1.417 397 D CA -0.396 53.632 54.000 0.046 0.000 0.994 397 D CB 0.810 41.636 40.800 0.043 0.000 1.358 397 D HN 0.434 nan 8.370 nan 0.000 0.626 398 N N 0.537 119.254 118.700 0.028 0.000 2.530 398 N HA 0.029 4.772 4.740 0.005 0.000 0.273 398 N C 0.909 176.435 175.510 0.027 0.000 1.173 398 N CA 0.010 53.076 53.050 0.026 0.000 0.967 398 N CB 0.878 39.380 38.487 0.024 0.000 1.109 398 N HN 0.115 nan 8.380 nan 0.000 0.453 399 K N 2.222 122.637 120.400 0.026 0.000 2.163 399 K HA -0.281 4.042 4.320 0.005 0.000 0.210 399 K C 1.300 177.914 176.600 0.023 0.000 1.048 399 K CA 1.786 58.086 56.287 0.022 0.000 0.928 399 K CB -0.287 32.230 32.500 0.029 0.000 0.716 399 K HN 0.657 nan 8.250 nan 0.000 0.459 400 K N 0.959 121.379 120.400 0.034 0.000 2.044 400 K HA -0.007 4.316 4.320 0.005 0.000 0.204 400 K C 2.067 178.689 176.600 0.036 0.000 1.045 400 K CA 0.634 56.944 56.287 0.040 0.000 0.951 400 K CB -0.127 32.403 32.500 0.050 0.000 0.738 400 K HN -0.115 nan 8.250 nan 0.000 0.443 401 I N 1.231 121.823 120.570 0.036 0.000 2.118 401 I HA -0.256 3.917 4.170 0.005 0.000 0.241 401 I C 2.302 178.435 176.117 0.027 0.000 1.070 401 I CA 1.132 62.456 61.300 0.040 0.000 1.327 401 I CB -1.164 36.858 38.000 0.037 0.000 1.034 401 I HN 0.032 nan 8.210 nan 0.000 0.405 402 V N 1.291 121.217 119.914 0.020 0.000 2.255 402 V HA -0.299 3.824 4.120 0.005 0.000 0.247 402 V C 2.843 178.921 176.094 -0.025 0.000 1.051 402 V CA 1.990 64.294 62.300 0.007 0.000 1.018 402 V CB -1.185 30.647 31.823 0.014 0.000 0.641 402 V HN 0.494 nan 8.190 nan 0.000 0.445 403 A N 0.363 123.168 122.820 -0.025 0.000 1.859 403 A HA -0.314 4.009 4.320 0.005 0.000 0.217 403 A C 1.994 179.537 177.584 -0.069 0.000 1.198 403 A CA 2.394 54.404 52.037 -0.045 0.000 0.629 403 A CB -0.885 18.098 19.000 -0.029 0.000 0.830 403 A HN 0.597 nan 8.150 nan 0.000 0.446 404 D N -0.043 120.330 120.400 -0.045 0.000 2.117 404 D HA -0.025 4.618 4.640 0.005 0.000 0.197 404 D C 2.229 178.314 176.300 -0.358 0.000 0.987 404 D CA 1.530 55.471 54.000 -0.098 0.000 0.829 404 D CB -0.625 40.238 40.800 0.104 0.000 0.961 404 D HN 0.457 nan 8.370 nan 0.000 0.460 405 A N 1.359 124.048 122.820 -0.219 0.000 1.832 405 A HA -0.145 4.178 4.320 0.005 0.000 0.214 405 A C 2.156 179.585 177.584 -0.257 0.000 1.200 405 A CA 1.490 53.353 52.037 -0.289 0.000 0.610 405 A CB -0.436 18.521 19.000 -0.070 0.000 0.842 405 A HN 0.041 nan 8.150 nan 0.000 0.444 406 M N -0.104 119.416 119.600 -0.134 0.000 2.229 406 M HA -0.045 4.438 4.480 0.005 0.000 0.264 406 M C 2.253 178.484 176.300 -0.116 0.000 1.063 406 M CA 1.124 56.365 55.300 -0.098 0.000 1.114 406 M CB -2.046 30.519 32.600 -0.059 0.000 1.387 406 M HN 0.490 nan 8.290 nan 0.000 0.420 407 G N 0.315 109.031 108.800 -0.139 0.000 2.480 407 G HA2 -0.140 3.823 3.960 0.005 0.000 0.216 407 G HA3 -0.140 3.823 3.960 0.005 0.000 0.216 407 G C 1.677 176.496 174.900 -0.136 0.000 1.200 407 G CA 1.482 46.513 45.100 -0.115 0.000 0.782 407 G HN 0.532 nan 8.290 nan 0.000 0.554 408 A N 0.294 122.954 122.820 -0.268 0.000 1.902 408 A HA 0.103 4.426 4.320 0.005 0.000 0.217 408 A C 2.398 180.021 177.584 0.064 0.000 1.181 408 A CA 1.367 53.282 52.037 -0.204 0.000 0.623 408 A CB -0.504 18.024 19.000 -0.786 0.000 0.818 408 A HN 0.355 nan 8.150 nan 0.000 0.443 409 L N -0.710 120.541 121.223 0.047 0.000 2.079 409 L HA -0.205 4.138 4.340 0.005 0.000 0.210 409 L C 2.797 179.590 176.870 -0.129 0.000 1.081 409 L CA 1.938 56.794 54.840 0.026 0.000 0.752 409 L CB -0.398 41.609 42.059 -0.086 0.000 0.896 409 L HN 0.546 nan 8.230 nan 0.000 0.433 410 R N 0.009 120.454 120.500 -0.092 0.000 2.073 410 R HA -0.182 4.161 4.340 0.005 0.000 0.234 410 R C 2.327 178.578 176.300 -0.082 0.000 1.134 410 R CA 1.354 57.404 56.100 -0.083 0.000 0.952 410 R CB -0.248 30.025 30.300 -0.045 0.000 0.850 410 R HN 0.363 nan 8.270 nan 0.000 0.433 411 L N 0.840 122.024 121.223 -0.065 0.000 2.017 411 L HA -0.192 4.151 4.340 0.005 0.000 0.208 411 L C 2.808 179.624 176.870 -0.089 0.000 1.073 411 L CA 1.681 56.482 54.840 -0.066 0.000 0.745 411 L CB -0.435 41.596 42.059 -0.047 0.000 0.894 411 L HN 0.262 nan 8.230 nan 0.000 0.432 412 K N -0.069 120.254 120.400 -0.129 0.000 2.002 412 K HA -0.167 4.156 4.320 0.005 0.000 0.209 412 K C 2.038 178.551 176.600 -0.146 0.000 1.048 412 K CA 1.566 57.735 56.287 -0.196 0.000 0.930 412 K CB -0.082 32.140 32.500 -0.464 0.000 0.714 412 K HN 0.022 nan 8.250 nan 0.000 0.438 413 V N 0.980 120.755 119.914 -0.232 0.000 2.252 413 V HA -0.264 3.859 4.120 0.005 0.000 0.249 413 V C 2.424 178.472 176.094 -0.077 0.000 1.056 413 V CA 2.291 64.469 62.300 -0.203 0.000 1.022 413 V CB -1.175 30.465 31.823 -0.305 0.000 0.641 413 V HN 0.683 nan 8.190 nan 0.000 0.445 414 G N -0.560 108.191 108.800 -0.081 0.000 2.505 414 G HA2 -0.299 3.664 3.960 0.005 0.000 0.220 414 G HA3 -0.299 3.664 3.960 0.005 0.000 0.220 414 G C 1.665 176.537 174.900 -0.047 0.000 1.145 414 G CA 1.191 46.258 45.100 -0.055 0.000 0.761 414 G HN 0.498 nan 8.290 nan 0.000 0.571 415 K N 0.166 120.534 120.400 -0.053 0.000 2.001 415 K HA -0.054 4.269 4.320 0.005 0.000 0.208 415 K C 2.248 178.832 176.600 -0.028 0.000 1.048 415 K CA 1.211 57.471 56.287 -0.046 0.000 0.932 415 K CB -0.223 32.246 32.500 -0.052 0.000 0.715 415 K HN 0.157 nan 8.250 nan 0.000 0.437 416 D N 1.390 121.783 120.400 -0.012 0.000 2.137 416 D HA -0.189 4.454 4.640 0.005 0.000 0.189 416 D C 1.658 177.968 176.300 0.017 0.000 0.998 416 D CA 1.315 55.326 54.000 0.017 0.000 0.839 416 D CB -0.379 40.478 40.800 0.095 0.000 0.962 416 D HN 0.142 nan 8.370 nan 0.000 0.446 417 L N 0.282 121.520 121.223 0.025 0.000 2.693 417 L HA 0.148 4.491 4.340 0.005 0.000 0.242 417 L C 1.268 178.135 176.870 -0.006 0.000 1.157 417 L CA 0.163 55.013 54.840 0.016 0.000 0.929 417 L CB -0.825 41.248 42.059 0.024 0.000 1.103 417 L HN 0.110 nan 8.230 nan 0.000 0.430 418 G N 0.486 109.278 108.800 -0.015 0.000 2.321 418 G HA2 -0.297 3.666 3.960 0.005 0.000 0.287 418 G HA3 -0.297 3.666 3.960 0.005 0.000 0.287 418 G C 0.841 175.724 174.900 -0.029 0.000 1.018 418 G CA 0.417 45.502 45.100 -0.025 0.000 0.855 418 G HN 0.453 nan 8.290 nan 0.000 0.507 419 L N -0.677 120.529 121.223 -0.030 0.000 2.375 419 L HA 0.092 4.435 4.340 0.005 0.000 0.215 419 L C 1.255 178.100 176.870 -0.042 0.000 1.108 419 L CA 1.017 55.837 54.840 -0.032 0.000 0.830 419 L CB 0.003 42.044 42.059 -0.029 0.000 0.959 419 L HN 0.249 nan 8.230 nan 0.000 0.457 420 T N 0.073 114.597 114.554 -0.051 0.000 2.733 420 T HA 0.079 4.432 4.350 0.005 0.000 0.294 420 T C -0.279 174.377 174.700 -0.074 0.000 0.956 420 T CA -0.344 61.717 62.100 -0.065 0.000 0.987 420 T CB 1.337 70.162 68.868 -0.073 0.000 0.920 420 T HN -0.065 nan 8.240 nan 0.000 0.470 421 D N 2.996 123.346 120.400 -0.083 0.000 2.470 421 D HA 0.047 4.690 4.640 0.005 0.000 0.226 421 D C 1.403 177.622 176.300 -0.133 0.000 1.196 421 D CA -0.221 53.722 54.000 -0.096 0.000 0.979 421 D CB 0.377 41.123 40.800 -0.090 0.000 1.059 421 D HN 0.407 nan 8.370 nan 0.000 0.515 422 E N 1.383 121.507 120.200 -0.127 0.000 2.301 422 E HA -0.228 4.125 4.350 0.005 0.000 0.202 422 E C 1.263 177.721 176.600 -0.236 0.000 1.017 422 E CA 0.991 57.298 56.400 -0.154 0.000 0.831 422 E CB 0.138 29.770 29.700 -0.114 0.000 0.742 422 E HN 0.544 nan 8.360 nan 0.000 0.491 423 S N -0.237 115.325 115.700 -0.229 0.000 2.593 423 S HA 0.007 4.480 4.470 0.005 0.000 0.217 423 S C 0.824 175.167 174.600 -0.428 0.000 0.966 423 S CA -0.157 57.859 58.200 -0.306 0.000 0.914 423 S CB 0.156 63.246 63.200 -0.183 0.000 0.776 423 S HN 0.059 nan 8.310 nan 0.000 0.523 424 K N 0.438 120.624 120.400 -0.357 0.000 2.144 424 K HA 0.235 4.558 4.320 0.005 0.000 0.270 424 K C -1.589 174.760 176.600 -0.418 0.000 1.005 424 K CA -0.805 55.296 56.287 -0.309 0.000 0.932 424 K CB 0.550 32.955 32.500 -0.159 0.000 1.021 424 K HN 0.387 nan 8.250 nan 0.000 0.462 425 W N 2.362 123.638 121.300 -0.039 0.000 2.316 425 W HA 0.431 5.094 4.660 0.006 0.000 0.308 425 W C -0.271 176.131 176.519 -0.195 0.000 1.106 425 W CA -0.801 56.491 57.345 -0.089 0.000 1.262 425 W CB 1.631 31.043 29.460 -0.079 0.000 1.233 425 W HN 0.592 nan 8.180 nan 0.000 0.447 426 A N 6.719 129.526 122.820 -0.022 0.000 2.786 426 A HA 0.473 4.796 4.320 0.005 0.000 0.346 426 A C -2.434 174.985 177.584 -0.276 0.000 1.265 426 A CA -1.514 50.429 52.037 -0.156 0.000 0.858 426 A CB -0.060 18.846 19.000 -0.156 0.000 1.118 426 A HN 0.292 nan 8.150 nan 0.000 0.482 427 P HA 0.706 nan 4.420 nan 0.000 0.278 427 P C -0.597 176.318 177.300 -0.642 0.000 1.258 427 P CA -0.320 62.318 63.100 -0.769 0.000 0.811 427 P CB 1.689 32.476 31.700 -1.522 0.000 1.063 428 L N -3.207 117.707 121.223 -0.516 0.000 3.079 428 L HA 0.634 4.977 4.340 0.005 0.000 0.278 428 L C -2.017 174.799 176.870 -0.091 0.000 1.026 428 L CA -1.012 53.713 54.840 -0.191 0.000 0.963 428 L CB 1.315 43.316 42.059 -0.097 0.000 1.526 428 L HN 0.261 nan 8.230 nan 0.000 0.397 429 W N 0.824 122.221 121.300 0.162 0.000 2.600 429 W HA 0.760 5.423 4.660 0.005 0.000 0.325 429 W C -0.964 175.648 176.519 0.155 0.000 1.034 429 W CA -0.802 56.662 57.345 0.199 0.000 1.226 429 W CB 2.299 31.874 29.460 0.191 0.000 1.379 429 W HN 0.272 nan 8.180 nan 0.000 0.466 430 V N 6.319 126.515 119.914 0.469 0.000 2.398 430 V HA 0.508 4.631 4.120 0.005 0.000 0.286 430 V C 0.297 176.585 176.094 0.324 0.000 1.026 430 V CA -0.773 61.685 62.300 0.263 0.000 0.868 430 V CB 0.617 32.544 31.823 0.174 0.000 0.982 430 V HN 0.514 nan 8.190 nan 0.000 0.443 431 I N -0.094 120.550 120.570 0.124 0.000 3.457 431 I HA 0.721 4.894 4.170 0.005 0.000 0.307 431 I C -0.515 175.625 176.117 0.037 0.000 1.138 431 I CA -0.944 60.478 61.300 0.203 0.000 0.974 431 I CB 2.220 40.337 38.000 0.195 0.000 1.324 431 I HN 0.501 nan 8.210 nan 0.000 0.485 432 D N 0.869 121.353 120.400 0.139 0.000 2.699 432 D HA -0.195 4.448 4.640 0.005 0.000 0.239 432 D C -0.792 175.535 176.300 0.045 0.000 1.136 432 D CA 0.969 55.016 54.000 0.078 0.000 0.668 432 D CB -1.507 39.324 40.800 0.051 0.000 1.060 432 D HN 0.391 nan 8.370 nan 0.000 0.429 433 F N 0.418 120.379 119.950 0.019 0.000 2.506 433 F HA 0.237 4.767 4.527 0.005 0.000 0.351 433 F C -1.016 174.633 175.800 -0.253 0.000 1.136 433 F CA -1.520 56.388 58.000 -0.153 0.000 1.298 433 F CB 0.054 39.072 39.000 0.031 0.000 1.145 433 F HN -0.120 nan 8.300 nan 0.000 0.593 434 P HA -0.089 nan 4.420 nan 0.000 0.270 434 P C 0.395 177.620 177.300 -0.125 0.000 1.221 434 P CA 0.034 63.007 63.100 -0.213 0.000 0.788 434 P CB 0.710 32.246 31.700 -0.273 0.000 0.904 435 M N -0.305 119.136 119.600 -0.266 0.000 2.299 435 M HA 0.066 4.549 4.480 0.005 0.000 0.264 435 M C 0.768 176.698 176.300 -0.617 0.000 1.095 435 M CA 1.597 56.568 55.300 -0.549 0.000 1.165 435 M CB -0.389 31.601 32.600 -1.017 0.000 1.349 435 M HN 0.250 nan 8.290 nan 0.000 0.446 436 F N 0.271 120.223 119.950 0.003 0.000 2.840 436 F HA 0.472 5.002 4.527 0.005 0.000 0.382 436 F C 0.324 176.116 175.800 -0.014 0.000 1.304 436 F CA -0.990 57.008 58.000 -0.004 0.000 1.120 436 F CB 0.178 39.176 39.000 -0.004 0.000 1.607 436 F HN 0.098 nan 8.300 nan 0.000 0.482 437 E N -1.461 118.888 120.200 0.247 0.000 2.348 437 E HA 0.153 4.506 4.350 0.005 0.000 0.270 437 E C -2.355 174.294 176.600 0.083 0.000 1.255 437 E CA -1.002 55.470 56.400 0.120 0.000 0.915 437 E CB 0.409 30.153 29.700 0.074 0.000 1.395 437 E HN 0.279 nan 8.360 nan 0.000 0.402 438 D N 1.382 121.815 120.400 0.056 0.000 2.225 438 D HA 0.295 4.938 4.640 0.005 0.000 0.248 438 D C -1.143 175.175 176.300 0.031 0.000 1.096 438 D CA 0.170 54.191 54.000 0.035 0.000 0.863 438 D CB 1.233 42.051 40.800 0.029 0.000 1.156 438 D HN 0.412 nan 8.370 nan 0.000 0.450 439 D N -0.065 120.348 120.400 0.021 0.000 2.278 439 D HA 0.422 5.065 4.640 0.005 0.000 0.245 439 D C 1.332 177.639 176.300 0.011 0.000 1.052 439 D CA -0.875 53.137 54.000 0.019 0.000 0.834 439 D CB 1.605 42.417 40.800 0.020 0.000 1.194 439 D HN 0.426 nan 8.370 nan 0.000 0.481 440 G N 3.219 112.025 108.800 0.011 0.000 3.517 440 G HA2 -0.499 3.465 3.960 0.005 0.000 0.372 440 G HA3 -0.499 3.465 3.960 0.005 0.000 0.372 440 G C 0.941 175.844 174.900 0.004 0.000 1.874 440 G CA 1.221 46.325 45.100 0.007 0.000 2.017 440 G HN 0.599 nan 8.290 nan 0.000 0.877 441 E N 1.353 121.554 120.200 0.001 0.000 2.474 441 E HA 0.450 4.803 4.350 0.005 0.000 0.195 441 E C 1.303 177.902 176.600 -0.002 0.000 1.039 441 E CA 0.959 57.358 56.400 -0.002 0.000 0.881 441 E CB 0.607 30.303 29.700 -0.005 0.000 0.970 441 E HN 1.346 nan 8.360 nan 0.000 0.486 442 G N -0.356 108.444 108.800 -0.000 0.000 2.594 442 G HA2 -0.022 3.941 3.960 0.005 0.000 0.217 442 G HA3 -0.022 3.941 3.960 0.005 0.000 0.217 442 G C 0.825 175.719 174.900 -0.012 0.000 1.163 442 G CA -0.555 44.544 45.100 -0.001 0.000 1.074 442 G HN 0.766 nan 8.290 nan 0.000 0.589 443 G N -0.532 108.256 108.800 -0.021 0.000 2.687 443 G HA2 0.044 4.007 3.960 0.005 0.000 0.303 443 G HA3 0.044 4.007 3.960 0.005 0.000 0.303 443 G C 0.202 175.067 174.900 -0.058 0.000 1.209 443 G CA 1.178 46.253 45.100 -0.042 0.000 0.968 443 G HN 2.002 nan 8.290 nan 0.000 0.549 444 L N -0.519 120.662 121.223 -0.070 0.000 2.765 444 L HA 0.575 4.918 4.340 0.005 0.000 0.254 444 L C -0.638 176.198 176.870 -0.056 0.000 0.939 444 L CA -0.089 54.697 54.840 -0.091 0.000 0.949 444 L CB 2.318 44.217 42.059 -0.267 0.000 1.521 444 L HN 1.029 nan 8.230 nan 0.000 0.434 445 T N 0.982 115.562 114.554 0.043 0.000 2.900 445 T HA 0.783 5.136 4.350 0.005 0.000 0.303 445 T C -0.768 174.075 174.700 0.238 0.000 1.142 445 T CA 0.015 62.175 62.100 0.101 0.000 1.007 445 T CB 1.783 70.693 68.868 0.071 0.000 1.156 445 T HN 0.742 nan 8.240 nan 0.000 0.490 446 A N 4.989 127.953 122.820 0.240 0.000 2.450 446 A HA 0.402 4.725 4.320 0.005 0.000 0.255 446 A C 1.525 179.170 177.584 0.101 0.000 1.096 446 A CA -0.423 51.761 52.037 0.245 0.000 0.778 446 A CB 0.010 19.124 19.000 0.190 0.000 1.031 446 A HN 0.969 nan 8.150 nan 0.000 0.494 447 M N 1.044 120.661 119.600 0.028 0.000 2.296 447 M HA -0.041 4.442 4.480 0.005 0.000 0.265 447 M C 0.136 176.159 176.300 -0.461 0.000 1.064 447 M CA 1.773 56.948 55.300 -0.207 0.000 1.109 447 M CB -0.869 31.574 32.600 -0.261 0.000 1.396 447 M HN 0.931 nan 8.290 nan 0.000 0.430 448 H N -2.289 116.765 119.070 -0.027 0.000 3.196 448 H HA 0.309 4.868 4.556 0.005 0.000 0.303 448 H C -0.339 175.065 175.328 0.126 0.000 1.605 448 H CA -0.767 55.292 56.048 0.020 0.000 1.351 448 H CB -0.102 29.656 29.762 -0.007 0.000 1.860 448 H HN 0.258 nan 8.280 nan 0.000 0.697 449 H N 0.635 119.787 119.070 0.138 0.000 2.771 449 H HA 0.084 4.643 4.556 0.005 0.000 0.364 449 H C -1.807 173.563 175.328 0.071 0.000 1.133 449 H CA -1.656 54.468 56.048 0.127 0.000 1.423 449 H CB 0.508 30.364 29.762 0.156 0.000 1.425 449 H HN 0.352 nan 8.280 nan 0.000 0.606 450 P HA -0.176 nan 4.420 nan 0.000 0.228 450 P C 0.265 177.127 177.300 -0.731 0.000 1.151 450 P CA 1.000 63.926 63.100 -0.290 0.000 0.770 450 P CB -0.005 31.631 31.700 -0.107 0.000 0.786 451 F N -0.085 119.379 119.950 -0.810 0.000 2.732 451 F HA 0.144 4.674 4.527 0.006 0.000 0.303 451 F C 1.163 176.529 175.800 -0.723 0.000 1.110 451 F CA 0.236 57.766 58.000 -0.785 0.000 1.355 451 F CB -0.569 38.057 39.000 -0.623 0.000 1.081 451 F HN -0.249 nan 8.300 nan 0.000 0.565 452 T N 0.421 114.625 114.554 -0.584 0.000 2.907 452 T HA 0.264 4.617 4.350 0.005 0.000 0.298 452 T C 0.405 174.946 174.700 -0.264 0.000 1.017 452 T CA -0.392 61.510 62.100 -0.330 0.000 1.118 452 T CB 0.958 69.670 68.868 -0.260 0.000 0.948 452 T HN 0.209 nan 8.240 nan 0.000 0.531 453 S N 3.376 118.950 115.700 -0.210 0.000 2.617 453 S HA 0.589 5.062 4.470 0.005 0.000 0.283 453 S C -2.935 171.569 174.600 -0.159 0.000 1.189 453 S CA -1.689 56.411 58.200 -0.166 0.000 1.036 453 S CB 0.980 64.104 63.200 -0.126 0.000 1.014 453 S HN 0.265 nan 8.310 nan 0.000 0.522 454 P HA 0.332 nan 4.420 nan 0.000 0.275 454 P C 0.183 177.437 177.300 -0.077 0.000 1.228 454 P CA -0.498 62.533 63.100 -0.114 0.000 0.786 454 P CB 0.729 32.384 31.700 -0.076 0.000 0.927 455 K N 2.739 123.099 120.400 -0.067 0.000 2.044 455 K HA -0.083 4.240 4.320 0.005 0.000 0.204 455 K C 0.448 177.034 176.600 -0.023 0.000 1.049 455 K CA 1.773 58.037 56.287 -0.039 0.000 0.945 455 K CB -0.202 32.282 32.500 -0.026 0.000 0.724 455 K HN 0.487 nan 8.250 nan 0.000 0.440 456 D N -0.277 120.111 120.400 -0.020 0.000 2.992 456 D HA 0.173 4.817 4.640 0.005 0.000 0.372 456 D C -0.392 175.905 176.300 -0.005 0.000 1.374 456 D CA -0.079 53.916 54.000 -0.009 0.000 0.769 456 D CB -0.262 40.536 40.800 -0.004 0.000 1.215 456 D HN 0.146 nan 8.370 nan 0.000 0.473 457 M N -0.302 119.293 119.600 -0.008 0.000 2.575 457 M HA 0.359 4.842 4.480 0.005 0.000 0.284 457 M C -0.596 175.704 176.300 0.000 0.000 1.253 457 M CA -0.538 54.762 55.300 -0.000 0.000 0.861 457 M CB 2.839 35.442 32.600 0.005 0.000 1.733 457 M HN -0.221 nan 8.290 nan 0.000 0.462 458 T N 0.643 115.200 114.554 0.005 0.000 2.918 458 T HA 0.416 4.769 4.350 0.005 0.000 0.283 458 T C 1.076 175.779 174.700 0.005 0.000 1.001 458 T CA 0.174 62.276 62.100 0.003 0.000 1.041 458 T CB 1.648 70.518 68.868 0.003 0.000 1.028 458 T HN 0.760 nan 8.240 nan 0.000 0.511 459 A N 1.848 124.668 122.820 -0.001 0.000 1.948 459 A HA -0.046 4.277 4.320 0.005 0.000 0.220 459 A C 2.411 179.998 177.584 0.006 0.000 1.177 459 A CA 2.186 54.223 52.037 -0.000 0.000 0.636 459 A CB -1.039 17.955 19.000 -0.010 0.000 0.815 459 A HN 0.895 nan 8.150 nan 0.000 0.449 460 A N -0.359 122.463 122.820 0.004 0.000 1.897 460 A HA -0.087 4.236 4.320 0.005 0.000 0.215 460 A C 1.883 179.474 177.584 0.011 0.000 1.181 460 A CA 1.380 53.420 52.037 0.006 0.000 0.620 460 A CB -0.484 18.518 19.000 0.003 0.000 0.821 460 A HN 0.618 nan 8.150 nan 0.000 0.443 461 E N -0.201 120.007 120.200 0.013 0.000 2.153 461 E HA -0.126 4.227 4.350 0.005 0.000 0.194 461 E C 1.923 178.541 176.600 0.030 0.000 0.988 461 E CA 0.817 57.228 56.400 0.018 0.000 0.811 461 E CB -0.211 29.499 29.700 0.016 0.000 0.746 461 E HN 0.583 nan 8.360 nan 0.000 0.466 462 L N 1.086 122.331 121.223 0.038 0.000 2.072 462 L HA -0.128 4.215 4.340 0.005 0.000 0.205 462 L C 2.535 179.444 176.870 0.065 0.000 1.079 462 L CA 1.183 56.066 54.840 0.071 0.000 0.752 462 L CB -0.115 41.990 42.059 0.077 0.000 0.906 462 L HN 0.045 nan 8.230 nan 0.000 0.436 463 K N -0.187 120.232 120.400 0.032 0.000 2.211 463 K HA -0.144 4.179 4.320 0.005 0.000 0.203 463 K C 1.843 178.446 176.600 0.005 0.000 1.050 463 K CA 1.148 57.440 56.287 0.008 0.000 0.945 463 K CB 0.124 32.624 32.500 0.000 0.000 0.732 463 K HN 0.364 nan 8.250 nan 0.000 0.451 464 A N 0.483 123.312 122.820 0.014 0.000 1.930 464 A HA 0.144 4.467 4.320 0.005 0.000 0.215 464 A C 1.107 178.701 177.584 0.017 0.000 1.176 464 A CA 1.244 53.288 52.037 0.011 0.000 0.632 464 A CB 0.073 19.081 19.000 0.012 0.000 0.819 464 A HN 0.273 nan 8.150 nan 0.000 0.445 465 A N -0.675 122.164 122.820 0.032 0.000 3.300 465 A HA 0.554 4.877 4.320 0.005 0.000 0.300 465 A C -1.717 175.912 177.584 0.075 0.000 1.099 465 A CA -0.522 51.539 52.037 0.041 0.000 0.846 465 A CB 0.490 19.512 19.000 0.036 0.000 1.255 465 A HN 0.177 nan 8.150 nan 0.000 0.519 466 P HA -0.106 nan 4.420 nan 0.000 0.220 466 P C 0.894 178.359 177.300 0.276 0.000 1.152 466 P CA 1.071 64.297 63.100 0.209 0.000 0.812 466 P CB 0.471 32.198 31.700 0.045 0.000 0.792 467 E N 0.770 121.056 120.200 0.143 0.000 2.136 467 E HA -0.187 4.166 4.350 0.005 0.000 0.208 467 E C 1.308 177.992 176.600 0.139 0.000 1.035 467 E CA 1.598 58.076 56.400 0.130 0.000 0.838 467 E CB -0.652 29.091 29.700 0.071 0.000 0.748 467 E HN 0.382 nan 8.360 nan 0.000 0.459 468 N N -0.537 118.227 118.700 0.106 0.000 2.200 468 N HA 0.246 4.989 4.740 0.005 0.000 0.224 468 N C -0.656 174.880 175.510 0.045 0.000 1.179 468 N CA 0.343 53.435 53.050 0.072 0.000 0.877 468 N CB 0.801 39.324 38.487 0.060 0.000 1.072 468 N HN 0.065 nan 8.380 nan 0.000 0.519 469 A N 0.889 123.745 122.820 0.060 0.000 2.561 469 A HA 0.155 4.478 4.320 0.005 0.000 0.234 469 A C 0.480 178.017 177.584 -0.078 0.000 1.055 469 A CA 0.256 52.294 52.037 0.001 0.000 0.756 469 A CB 0.355 19.368 19.000 0.021 0.000 0.986 469 A HN 0.029 nan 8.150 nan 0.000 0.505 470 V N 2.869 122.744 119.914 -0.065 0.000 2.383 470 V HA 0.479 4.602 4.120 0.005 0.000 0.275 470 V C 0.932 176.964 176.094 -0.103 0.000 1.036 470 V CA 0.074 62.331 62.300 -0.071 0.000 0.889 470 V CB 0.867 32.678 31.823 -0.020 0.000 0.985 470 V HN 1.187 nan 8.190 nan 0.000 0.459 471 A N 4.207 126.952 122.820 -0.126 0.000 2.366 471 A HA 0.352 4.675 4.320 0.005 0.000 0.249 471 A C 0.566 178.087 177.584 -0.105 0.000 1.084 471 A CA -0.252 51.683 52.037 -0.171 0.000 0.794 471 A CB 0.030 18.878 19.000 -0.253 0.000 1.034 471 A HN 0.790 nan 8.150 nan 0.000 0.491 472 N N 0.222 118.842 118.700 -0.133 0.000 3.324 472 N HA 0.461 5.204 4.740 0.005 0.000 0.302 472 N C -0.542 174.921 175.510 -0.077 0.000 1.360 472 N CA 0.477 53.497 53.050 -0.050 0.000 1.190 472 N CB -0.129 38.328 38.487 -0.049 0.000 1.462 472 N HN 0.766 nan 8.380 nan 0.000 0.532 473 A N 1.293 124.052 122.820 -0.101 0.000 2.380 473 A HA 0.733 5.056 4.320 0.005 0.000 0.315 473 A C -1.444 176.206 177.584 0.110 0.000 1.101 473 A CA -0.627 51.223 52.037 -0.312 0.000 0.771 473 A CB 0.838 19.417 19.000 -0.702 0.000 1.287 473 A HN 0.395 nan 8.150 nan 0.000 0.436 474 Y N -0.943 119.448 120.300 0.152 0.000 2.562 474 Y HA 0.798 5.351 4.550 0.005 0.000 0.345 474 Y C -1.235 174.915 175.900 0.416 0.000 1.045 474 Y CA -1.508 56.802 58.100 0.350 0.000 1.028 474 Y CB 1.382 39.919 38.460 0.129 0.000 1.297 474 Y HN 0.467 nan 8.280 nan 0.000 0.463 475 D N 2.102 122.993 120.400 0.819 0.000 2.738 475 D HA 0.412 5.055 4.640 0.005 0.000 0.237 475 D C -1.356 175.253 176.300 0.516 0.000 1.123 475 D CA -0.561 53.786 54.000 0.579 0.000 0.856 475 D CB 2.396 43.522 40.800 0.543 0.000 1.552 475 D HN 0.779 nan 8.370 nan 0.000 0.480 476 M N 2.676 122.372 119.600 0.161 0.000 2.149 476 M HA 0.492 4.975 4.480 0.005 0.000 0.342 476 M C -1.653 174.619 176.300 -0.047 0.000 1.068 476 M CA -0.611 54.553 55.300 -0.227 0.000 0.991 476 M CB 0.980 33.333 32.600 -0.412 0.000 1.596 476 M HN 0.064 nan 8.290 nan 0.000 0.439 477 V N 6.563 126.425 119.914 -0.088 0.000 2.513 477 V HA 0.563 4.686 4.120 0.005 0.000 0.299 477 V C -0.362 175.646 176.094 -0.143 0.000 1.035 477 V CA -0.604 61.670 62.300 -0.044 0.000 0.889 477 V CB 1.917 33.727 31.823 -0.022 0.000 0.988 477 V HN 0.794 nan 8.190 nan 0.000 0.440 478 I N 4.039 124.576 120.570 -0.055 0.000 2.476 478 I HA 0.428 4.601 4.170 0.005 0.000 0.281 478 I C -0.296 175.871 176.117 0.084 0.000 1.040 478 I CA -0.540 60.712 61.300 -0.080 0.000 1.094 478 I CB 1.624 39.560 38.000 -0.107 0.000 1.219 478 I HN 0.709 nan 8.210 nan 0.000 0.450 479 N N 4.808 123.498 118.700 -0.016 0.000 2.740 479 N HA -0.184 4.560 4.740 0.005 0.000 0.248 479 N C 0.762 176.160 175.510 -0.185 0.000 1.062 479 N CA 1.428 54.454 53.050 -0.039 0.000 0.704 479 N CB -1.171 37.376 38.487 0.100 0.000 0.968 479 N HN 1.133 nan 8.380 nan 0.000 0.547 480 G N -2.038 106.638 108.800 -0.206 0.000 2.147 480 G HA2 -0.332 3.631 3.960 0.005 0.000 0.244 480 G HA3 -0.332 3.631 3.960 0.005 0.000 0.244 480 G C -0.554 174.135 174.900 -0.351 0.000 1.005 480 G CA 0.436 45.352 45.100 -0.306 0.000 0.713 480 G HN 0.483 nan 8.290 nan 0.000 0.515 481 Y N -0.316 119.985 120.300 0.001 0.000 2.373 481 Y HA 0.523 5.076 4.550 0.005 0.000 0.336 481 Y C 0.315 176.234 175.900 0.032 0.000 0.979 481 Y CA -1.347 56.767 58.100 0.024 0.000 1.080 481 Y CB 1.422 39.904 38.460 0.037 0.000 1.190 481 Y HN 0.262 nan 8.280 nan 0.000 0.446 482 E N 2.350 122.671 120.200 0.203 0.000 2.415 482 E HA 0.213 4.566 4.350 0.005 0.000 0.260 482 E C 0.285 176.972 176.600 0.146 0.000 1.016 482 E CA 0.009 56.499 56.400 0.149 0.000 0.924 482 E CB 0.737 30.507 29.700 0.116 0.000 0.961 482 E HN 0.646 nan 8.360 nan 0.000 0.459 483 V N 1.251 121.254 119.914 0.149 0.000 3.604 483 V HA 0.546 4.669 4.120 0.005 0.000 0.277 483 V C 0.473 176.736 176.094 0.281 0.000 1.399 483 V CA 0.484 62.896 62.300 0.187 0.000 1.034 483 V CB 0.405 32.332 31.823 0.173 0.000 0.824 483 V HN 0.599 nan 8.190 nan 0.000 0.439 484 G N -1.547 107.361 108.800 0.181 0.000 2.579 484 G HA2 0.669 4.632 3.960 0.005 0.000 0.292 484 G HA3 0.669 4.632 3.960 0.005 0.000 0.292 484 G C -0.767 174.156 174.900 0.039 0.000 1.484 484 G CA 0.011 45.135 45.100 0.039 0.000 0.813 484 G HN 1.003 nan 8.290 nan 0.000 0.515 485 G N -1.680 107.106 108.800 -0.023 0.000 2.623 485 G HA2 1.043 5.006 3.960 0.005 0.000 0.290 485 G HA3 1.043 5.006 3.960 0.005 0.000 0.290 485 G C -0.282 174.563 174.900 -0.091 0.000 1.437 485 G CA 0.305 45.406 45.100 0.003 0.000 0.798 485 G HN 2.020 nan 8.290 nan 0.000 0.488 486 G N -1.220 107.383 108.800 -0.328 0.000 2.341 486 G HA2 0.898 4.861 3.960 0.005 0.000 0.299 486 G HA3 0.898 4.861 3.960 0.005 0.000 0.299 486 G C -0.656 173.575 174.900 -1.115 0.000 1.274 486 G CA 0.996 45.816 45.100 -0.467 0.000 0.853 486 G HN 2.259 nan 8.290 nan 0.000 0.493 487 S N -2.324 112.907 115.700 -0.781 0.000 2.627 487 S HA 0.579 5.052 4.470 0.005 0.000 0.268 487 S C -1.446 173.090 174.600 -0.107 0.000 1.130 487 S CA -0.563 57.261 58.200 -0.626 0.000 0.819 487 S CB 1.252 64.186 63.200 -0.443 0.000 1.100 487 S HN 1.408 nan 8.310 nan 0.000 0.465 488 V N 3.149 123.043 119.914 -0.033 0.000 2.461 488 V HA 0.456 4.579 4.120 0.005 0.000 0.275 488 V C 0.527 176.514 176.094 -0.179 0.000 1.047 488 V CA -0.598 61.657 62.300 -0.076 0.000 0.955 488 V CB 0.603 32.385 31.823 -0.069 0.000 0.988 488 V HN 0.809 nan 8.190 nan 0.000 0.471 489 R N 4.394 124.714 120.500 -0.300 0.000 2.652 489 R HA 0.505 4.848 4.340 0.005 0.000 0.271 489 R C -0.305 175.803 176.300 -0.320 0.000 1.129 489 R CA -0.641 55.265 56.100 -0.324 0.000 1.200 489 R CB 0.770 30.767 30.300 -0.506 0.000 1.146 489 R HN 0.503 nan 8.270 nan 0.000 0.581 490 I N 2.223 122.694 120.570 -0.165 0.000 2.428 490 I HA 0.030 4.203 4.170 0.005 0.000 0.289 490 I C 1.283 177.470 176.117 0.117 0.000 1.019 490 I CA -0.155 61.124 61.300 -0.035 0.000 1.351 490 I CB 0.777 38.744 38.000 -0.056 0.000 1.412 490 I HN 0.700 nan 8.210 nan 0.000 0.513 491 H N 3.415 122.474 119.070 -0.018 0.000 3.058 491 H HA 0.159 4.718 4.556 0.005 0.000 0.258 491 H C 0.201 175.534 175.328 0.007 0.000 1.015 491 H CA -0.374 55.698 56.048 0.040 0.000 1.210 491 H CB -0.239 29.556 29.762 0.056 0.000 1.481 491 H HN 0.436 nan 8.280 nan 0.000 0.492 492 N N 1.907 120.613 118.700 0.010 0.000 2.406 492 N HA 0.063 4.806 4.740 0.005 0.000 0.251 492 N C 1.203 176.686 175.510 -0.044 0.000 1.069 492 N CA 0.596 53.584 53.050 -0.103 0.000 0.947 492 N CB 1.285 39.700 38.487 -0.120 0.000 1.111 492 N HN 0.442 nan 8.380 nan 0.000 0.497 493 G N 3.293 112.068 108.800 -0.042 0.000 2.469 493 G HA2 -0.281 3.682 3.960 0.005 0.000 0.220 493 G HA3 -0.281 3.682 3.960 0.005 0.000 0.220 493 G C 1.006 175.885 174.900 -0.036 0.000 1.136 493 G CA 0.628 45.710 45.100 -0.030 0.000 0.759 493 G HN 0.630 nan 8.290 nan 0.000 0.562 494 D N 0.233 120.610 120.400 -0.038 0.000 2.104 494 D HA -0.106 4.537 4.640 0.005 0.000 0.194 494 D C 2.444 178.719 176.300 -0.041 0.000 0.994 494 D CA 0.686 54.668 54.000 -0.031 0.000 0.830 494 D CB -0.240 40.542 40.800 -0.029 0.000 0.959 494 D HN 0.148 nan 8.370 nan 0.000 0.452 495 M N 0.479 120.047 119.600 -0.052 0.000 2.117 495 M HA -0.174 4.309 4.480 0.005 0.000 0.262 495 M C 2.156 178.378 176.300 -0.130 0.000 1.065 495 M CA 1.269 56.529 55.300 -0.067 0.000 1.114 495 M CB -0.532 32.037 32.600 -0.051 0.000 1.361 495 M HN -0.061 nan 8.290 nan 0.000 0.408 496 Q N 0.242 119.939 119.800 -0.172 0.000 2.084 496 Q HA -0.180 4.163 4.340 0.005 0.000 0.202 496 Q C 1.936 177.704 176.000 -0.386 0.000 0.978 496 Q CA 1.735 57.315 55.803 -0.372 0.000 0.844 496 Q CB -0.225 28.329 28.738 -0.307 0.000 0.898 496 Q HN 0.386 nan 8.270 nan 0.000 0.426 497 Q N -0.717 119.012 119.800 -0.118 0.000 2.050 497 Q HA -0.102 4.241 4.340 0.005 0.000 0.202 497 Q C 2.098 178.109 176.000 0.019 0.000 0.980 497 Q CA 2.012 57.836 55.803 0.035 0.000 0.840 497 Q CB -0.626 28.140 28.738 0.046 0.000 0.898 497 Q HN 0.440 nan 8.270 nan 0.000 0.424 498 T N 0.896 115.433 114.554 -0.029 0.000 2.746 498 T HA -0.091 4.262 4.350 0.005 0.000 0.267 498 T C 2.072 176.759 174.700 -0.021 0.000 1.039 498 T CA 1.189 63.279 62.100 -0.016 0.000 1.142 498 T CB -0.265 68.595 68.868 -0.015 0.000 0.866 498 T HN 0.019 nan 8.240 nan 0.000 0.444 499 V N 1.110 120.978 119.914 -0.077 0.000 2.233 499 V HA -0.167 3.956 4.120 0.005 0.000 0.247 499 V C 2.219 178.306 176.094 -0.012 0.000 1.050 499 V CA 1.748 64.015 62.300 -0.055 0.000 1.010 499 V CB -0.792 30.891 31.823 -0.233 0.000 0.637 499 V HN 0.351 nan 8.190 nan 0.000 0.444 500 F N 1.433 121.327 119.950 -0.095 0.000 2.115 500 F HA -0.182 4.347 4.527 0.005 0.000 0.300 500 F C 2.374 178.126 175.800 -0.079 0.000 1.092 500 F CA 1.476 59.423 58.000 -0.088 0.000 1.245 500 F CB -1.615 37.335 39.000 -0.082 0.000 0.995 500 F HN 0.213 nan 8.300 nan 0.000 0.481 501 G N 0.034 108.904 108.800 0.117 0.000 2.421 501 G HA2 -0.216 3.747 3.960 0.005 0.000 0.216 501 G HA3 -0.216 3.747 3.960 0.005 0.000 0.216 501 G C 1.871 176.747 174.900 -0.041 0.000 1.171 501 G CA 0.980 46.096 45.100 0.026 0.000 0.775 501 G HN 0.373 nan 8.290 nan 0.000 0.543 502 I N 0.050 120.562 120.570 -0.096 0.000 2.226 502 I HA -0.120 4.053 4.170 0.005 0.000 0.245 502 I C 2.325 178.285 176.117 -0.263 0.000 1.100 502 I CA 0.468 61.624 61.300 -0.240 0.000 1.374 502 I CB -0.136 37.606 38.000 -0.429 0.000 1.057 502 I HN 0.065 nan 8.210 nan 0.000 0.413 503 L N 0.675 121.799 121.223 -0.165 0.000 2.465 503 L HA 0.031 4.374 4.340 0.005 0.000 0.224 503 L C 1.822 178.670 176.870 -0.037 0.000 1.145 503 L CA 1.404 56.194 54.840 -0.083 0.000 0.834 503 L CB -1.261 40.837 42.059 0.065 0.000 0.944 503 L HN 0.473 nan 8.230 nan 0.000 0.451 504 G N -0.532 108.244 108.800 -0.039 0.000 2.184 504 G HA2 -0.312 3.651 3.960 0.005 0.000 0.264 504 G HA3 -0.312 3.651 3.960 0.005 0.000 0.264 504 G C 0.580 175.458 174.900 -0.037 0.000 0.975 504 G CA 0.263 45.340 45.100 -0.038 0.000 0.642 504 G HN 0.339 nan 8.290 nan 0.000 0.536 505 I N 2.885 123.440 120.570 -0.026 0.000 2.329 505 I HA 0.140 4.313 4.170 0.005 0.000 0.295 505 I C 1.129 177.150 176.117 -0.159 0.000 1.109 505 I CA -0.646 60.593 61.300 -0.103 0.000 1.297 505 I CB 0.061 37.975 38.000 -0.143 0.000 1.433 505 I HN 0.432 nan 8.210 nan 0.000 0.509 506 N N 6.031 124.652 118.700 -0.131 0.000 2.327 506 N HA 0.019 4.762 4.740 0.005 0.000 0.257 506 N C 0.772 176.188 175.510 -0.156 0.000 1.281 506 N CA -0.323 52.659 53.050 -0.113 0.000 0.942 506 N CB 0.878 39.319 38.487 -0.077 0.000 1.199 506 N HN 0.446 nan 8.380 nan 0.000 0.532 507 E N 0.166 120.303 120.200 -0.105 0.000 2.070 507 E HA -0.262 4.091 4.350 0.005 0.000 0.197 507 E C 1.396 177.937 176.600 -0.098 0.000 1.004 507 E CA 1.364 57.708 56.400 -0.094 0.000 0.805 507 E CB -0.194 29.479 29.700 -0.046 0.000 0.744 507 E HN 0.745 nan 8.360 nan 0.000 0.451 508 E N 0.363 120.513 120.200 -0.082 0.000 2.077 508 E HA -0.211 4.142 4.350 0.005 0.000 0.193 508 E C 1.966 178.500 176.600 -0.110 0.000 0.989 508 E CA 1.039 57.394 56.400 -0.075 0.000 0.800 508 E CB 0.043 29.707 29.700 -0.059 0.000 0.746 508 E HN 0.286 nan 8.360 nan 0.000 0.452 509 E N 0.279 120.392 120.200 -0.144 0.000 2.012 509 E HA -0.255 4.098 4.350 0.005 0.000 0.197 509 E C 2.299 178.736 176.600 -0.273 0.000 1.007 509 E CA 1.536 57.818 56.400 -0.197 0.000 0.816 509 E CB -0.123 29.456 29.700 -0.201 0.000 0.762 509 E HN 0.335 nan 8.360 nan 0.000 0.451 510 Q N 0.150 119.761 119.800 -0.315 0.000 2.082 510 Q HA -0.270 4.073 4.340 0.005 0.000 0.211 510 Q C 2.289 178.228 176.000 -0.102 0.000 1.002 510 Q CA 1.728 57.359 55.803 -0.287 0.000 0.868 510 Q CB -0.258 28.241 28.738 -0.400 0.000 0.931 510 Q HN -0.014 nan 8.270 nan 0.000 0.414 511 R N 0.488 120.941 120.500 -0.077 0.000 2.159 511 R HA -0.124 4.219 4.340 0.005 0.000 0.237 511 R C 1.530 177.816 176.300 -0.023 0.000 1.131 511 R CA 1.485 57.579 56.100 -0.011 0.000 0.982 511 R CB -0.038 30.257 30.300 -0.008 0.000 0.868 511 R HN 0.353 nan 8.270 nan 0.000 0.453 512 E N -1.114 119.025 120.200 -0.102 0.000 2.389 512 E HA 0.058 4.411 4.350 0.005 0.000 0.199 512 E C 1.235 177.734 176.600 -0.168 0.000 0.978 512 E CA 0.136 56.484 56.400 -0.087 0.000 0.912 512 E CB 0.338 29.990 29.700 -0.080 0.000 0.907 512 E HN 0.099 nan 8.360 nan 0.000 0.494 513 K N -0.199 119.953 120.400 -0.414 0.000 2.167 513 K HA -0.007 4.316 4.320 0.005 0.000 0.203 513 K C -0.409 175.750 176.600 -0.735 0.000 1.052 513 K CA 0.800 56.640 56.287 -0.745 0.000 0.956 513 K CB 0.325 32.007 32.500 -1.364 0.000 0.735 513 K HN 0.105 nan 8.250 nan 0.000 0.451 514 F N -2.679 117.283 119.950 0.020 0.000 2.866 514 F HA 0.319 4.849 4.527 0.005 0.000 0.411 514 F C 0.437 176.132 175.800 -0.176 0.000 1.271 514 F CA -1.088 56.832 58.000 -0.134 0.000 1.136 514 F CB -0.442 38.551 39.000 -0.011 0.000 2.430 514 F HN -0.159 nan 8.300 nan 0.000 0.544 515 G N 1.075 109.932 108.800 0.095 0.000 2.395 515 G HA2 -0.145 3.818 3.960 0.005 0.000 0.214 515 G HA3 -0.145 3.818 3.960 0.005 0.000 0.214 515 G C 1.337 176.293 174.900 0.092 0.000 1.177 515 G CA 1.075 46.250 45.100 0.124 0.000 0.794 515 G HN 0.481 nan 8.290 nan 0.000 0.532 516 F N 0.919 120.940 119.950 0.119 0.000 2.161 516 F HA 0.011 4.541 4.527 0.005 0.000 0.300 516 F C 2.100 177.953 175.800 0.088 0.000 1.089 516 F CA 0.834 58.892 58.000 0.095 0.000 1.282 516 F CB -1.045 37.997 39.000 0.071 0.000 1.010 516 F HN 0.119 nan 8.300 nan 0.000 0.485 517 L N 0.965 121.763 121.223 -0.708 0.000 1.976 517 L HA -0.090 4.253 4.340 0.005 0.000 0.209 517 L C 2.287 179.061 176.870 -0.161 0.000 1.071 517 L CA 1.627 56.187 54.840 -0.466 0.000 0.746 517 L CB -1.006 40.641 42.059 -0.687 0.000 0.890 517 L HN 0.265 nan 8.230 nan 0.000 0.432 518 L N -0.435 120.772 121.223 -0.026 0.000 2.089 518 L HA -0.282 4.061 4.340 0.005 0.000 0.213 518 L C 2.254 179.155 176.870 0.051 0.000 1.079 518 L CA 1.503 56.408 54.840 0.109 0.000 0.758 518 L CB -0.900 41.289 42.059 0.216 0.000 0.891 518 L HN 0.372 nan 8.230 nan 0.000 0.433 519 D N 0.016 120.452 120.400 0.060 0.000 2.117 519 D HA -0.123 4.520 4.640 0.005 0.000 0.198 519 D C 2.246 178.588 176.300 0.070 0.000 0.982 519 D CA 1.429 55.477 54.000 0.078 0.000 0.828 519 D CB -0.041 40.856 40.800 0.161 0.000 0.967 519 D HN 0.286 nan 8.370 nan 0.000 0.464 520 A N 0.598 123.480 122.820 0.102 0.000 2.024 520 A HA -0.131 4.192 4.320 0.005 0.000 0.220 520 A C 2.120 179.728 177.584 0.041 0.000 1.164 520 A CA 0.861 52.982 52.037 0.140 0.000 0.643 520 A CB -0.754 18.294 19.000 0.081 0.000 0.806 520 A HN 0.280 nan 8.150 nan 0.000 0.451 521 L N -1.236 119.962 121.223 -0.042 0.000 2.650 521 L HA -0.013 4.330 4.340 0.005 0.000 0.235 521 L C 1.723 178.507 176.870 -0.144 0.000 1.149 521 L CA 0.565 55.367 54.840 -0.063 0.000 0.887 521 L CB -0.236 41.814 42.059 -0.016 0.000 1.021 521 L HN 0.308 nan 8.230 nan 0.000 0.441 522 K N -0.644 119.551 120.400 -0.342 0.000 2.393 522 K HA 0.042 4.365 4.320 0.005 0.000 0.193 522 K C -0.127 176.045 176.600 -0.712 0.000 1.026 522 K CA 0.369 56.309 56.287 -0.580 0.000 1.064 522 K CB 0.347 32.355 32.500 -0.821 0.000 0.833 522 K HN 0.187 nan 8.250 nan 0.000 0.521 523 Y N 0.822 121.130 120.300 0.012 0.000 2.724 523 Y HA 0.300 4.853 4.550 0.005 0.000 0.370 523 Y C 0.554 176.459 175.900 0.009 0.000 0.978 523 Y CA -1.126 56.980 58.100 0.011 0.000 1.443 523 Y CB 0.524 38.992 38.460 0.012 0.000 1.386 523 Y HN 0.107 nan 8.280 nan 0.000 0.557 524 G N 0.951 109.793 108.800 0.069 0.000 2.473 524 G HA2 -0.260 3.703 3.960 0.005 0.000 0.289 524 G HA3 -0.260 3.703 3.960 0.005 0.000 0.289 524 G C 0.035 174.970 174.900 0.058 0.000 1.084 524 G CA 0.260 45.400 45.100 0.067 0.000 1.215 524 G HN 0.492 nan 8.290 nan 0.000 0.527 525 T N 2.388 116.960 114.554 0.029 0.000 2.814 525 T HA 0.565 4.918 4.350 0.005 0.000 0.297 525 T C -0.801 173.922 174.700 0.038 0.000 0.956 525 T CA -0.581 61.522 62.100 0.006 0.000 1.123 525 T CB 0.926 69.802 68.868 0.015 0.000 0.902 525 T HN 0.465 nan 8.240 nan 0.000 0.528 526 P HA 0.426 nan 4.420 nan 0.000 0.278 526 P C -2.966 174.278 177.300 -0.093 0.000 1.258 526 P CA -2.137 60.852 63.100 -0.185 0.000 0.811 526 P CB 0.085 31.427 31.700 -0.595 0.000 1.063 527 P HA 0.164 nan 4.420 nan 0.000 0.276 527 P C -0.470 176.715 177.300 -0.192 0.000 1.235 527 P CA 0.627 63.582 63.100 -0.241 0.000 0.772 527 P CB 0.076 31.657 31.700 -0.198 0.000 0.871 528 H N 1.400 120.297 119.070 -0.288 0.000 2.928 528 H HA 0.904 5.463 4.556 0.005 0.000 0.371 528 H C -1.574 173.698 175.328 -0.094 0.000 1.186 528 H CA -1.522 54.419 56.048 -0.179 0.000 1.134 528 H CB 1.555 31.231 29.762 -0.144 0.000 1.824 528 H HN 0.453 nan 8.280 nan 0.000 0.554 529 A N 0.398 123.209 122.820 -0.016 0.000 2.605 529 A HA 0.745 5.068 4.320 0.005 0.000 0.294 529 A C -0.710 176.951 177.584 0.129 0.000 1.062 529 A CA -0.146 51.894 52.037 0.005 0.000 0.682 529 A CB 1.750 20.771 19.000 0.035 0.000 1.278 529 A HN 1.220 nan 8.150 nan 0.000 0.410 530 G N -0.907 107.980 108.800 0.145 0.000 2.975 530 G HA2 0.872 4.835 3.960 0.005 0.000 0.291 530 G HA3 0.872 4.835 3.960 0.005 0.000 0.291 530 G C -1.404 173.598 174.900 0.170 0.000 1.334 530 G CA -0.056 45.154 45.100 0.184 0.000 0.843 530 G HN 1.964 nan 8.290 nan 0.000 0.548 531 L N -1.820 119.480 121.223 0.128 0.000 2.866 531 L HA 0.769 5.112 4.340 0.005 0.000 0.262 531 L C -1.554 175.301 176.870 -0.025 0.000 0.986 531 L CA -0.585 54.279 54.840 0.040 0.000 0.925 531 L CB 1.754 43.869 42.059 0.092 0.000 1.484 531 L HN 1.453 nan 8.230 nan 0.000 0.414 532 A N 2.108 124.864 122.820 -0.107 0.000 2.408 532 A HA 0.793 5.116 4.320 0.005 0.000 0.295 532 A C -1.804 175.712 177.584 -0.113 0.000 1.040 532 A CA -0.258 51.751 52.037 -0.047 0.000 0.707 532 A CB 0.941 19.980 19.000 0.065 0.000 1.235 532 A HN 0.451 nan 8.150 nan 0.000 0.418 533 F N 1.285 121.300 119.950 0.108 0.000 2.421 533 F HA 0.559 5.089 4.527 0.005 0.000 0.337 533 F C 1.225 177.081 175.800 0.093 0.000 1.105 533 F CA -0.280 57.770 58.000 0.084 0.000 1.049 533 F CB 2.045 41.075 39.000 0.051 0.000 1.139 533 F HN 0.679 nan 8.300 nan 0.000 0.479 534 G N 3.222 112.187 108.800 0.274 0.000 2.358 534 G HA2 0.285 4.248 3.960 0.005 0.000 0.273 534 G HA3 0.285 4.248 3.960 0.005 0.000 0.273 534 G C 0.668 175.669 174.900 0.168 0.000 1.215 534 G CA -0.302 44.920 45.100 0.204 0.000 0.910 534 G HN 0.747 nan 8.290 nan 0.000 0.467 535 L N 2.118 123.432 121.223 0.153 0.000 2.093 535 L HA -0.028 4.315 4.340 0.005 0.000 0.208 535 L C 2.114 179.007 176.870 0.038 0.000 1.085 535 L CA 1.849 56.739 54.840 0.082 0.000 0.755 535 L CB -0.367 41.731 42.059 0.065 0.000 0.904 535 L HN 0.591 nan 8.230 nan 0.000 0.435 536 D N -0.552 119.877 120.400 0.048 0.000 2.092 536 D HA -0.225 4.418 4.640 0.005 0.000 0.193 536 D C 2.129 178.412 176.300 -0.028 0.000 0.994 536 D CA 1.040 55.044 54.000 0.007 0.000 0.828 536 D CB -0.200 40.610 40.800 0.018 0.000 0.963 536 D HN 0.236 nan 8.370 nan 0.000 0.450 537 R N 0.570 121.053 120.500 -0.028 0.000 2.094 537 R HA -0.137 4.206 4.340 0.005 0.000 0.239 537 R C 2.392 178.664 176.300 -0.047 0.000 1.137 537 R CA 0.582 56.638 56.100 -0.073 0.000 0.943 537 R CB -1.094 29.179 30.300 -0.046 0.000 0.850 537 R HN 0.193 nan 8.270 nan 0.000 0.433 538 L N 0.563 121.787 121.223 0.001 0.000 2.021 538 L HA -0.212 4.131 4.340 0.005 0.000 0.215 538 L C 2.251 179.083 176.870 -0.063 0.000 1.074 538 L CA 2.069 56.912 54.840 0.006 0.000 0.760 538 L CB -1.402 40.643 42.059 -0.024 0.000 0.889 538 L HN 0.240 nan 8.230 nan 0.000 0.433 539 T N -1.363 113.146 114.554 -0.076 0.000 2.951 539 T HA -0.125 4.228 4.350 0.005 0.000 0.268 539 T C 1.963 176.603 174.700 -0.100 0.000 1.073 539 T CA 1.021 63.057 62.100 -0.106 0.000 1.134 539 T CB -0.040 68.778 68.868 -0.083 0.000 0.884 539 T HN 0.240 nan 8.240 nan 0.000 0.479 540 M N 0.484 120.034 119.600 -0.084 0.000 2.099 540 M HA 0.044 4.527 4.480 0.005 0.000 0.262 540 M C 2.206 178.480 176.300 -0.044 0.000 1.067 540 M CA 1.499 56.750 55.300 -0.082 0.000 1.124 540 M CB -0.570 31.954 32.600 -0.126 0.000 1.353 540 M HN 0.184 nan 8.290 nan 0.000 0.410 541 L N 0.235 121.451 121.223 -0.013 0.000 2.012 541 L HA -0.230 4.113 4.340 0.005 0.000 0.210 541 L C 2.274 179.171 176.870 0.046 0.000 1.073 541 L CA 1.296 56.225 54.840 0.148 0.000 0.748 541 L CB -0.693 41.542 42.059 0.293 0.000 0.891 541 L HN 0.355 nan 8.230 nan 0.000 0.431 542 L N -0.522 120.568 121.223 -0.221 0.000 2.549 542 L HA -0.098 4.245 4.340 0.005 0.000 0.229 542 L C 1.659 178.387 176.870 -0.238 0.000 1.158 542 L CA 1.204 55.777 54.840 -0.445 0.000 0.842 542 L CB -0.575 41.130 42.059 -0.590 0.000 0.952 542 L HN 0.460 nan 8.230 nan 0.000 0.452 543 T N -4.942 109.544 114.554 -0.113 0.000 3.231 543 T HA 0.268 4.621 4.350 0.005 0.000 0.292 543 T C 1.115 175.804 174.700 -0.018 0.000 1.001 543 T CA 0.172 62.227 62.100 -0.076 0.000 0.920 543 T CB 0.596 69.412 68.868 -0.087 0.000 1.140 543 T HN 0.256 nan 8.240 nan 0.000 0.525 544 G N 1.798 110.621 108.800 0.038 0.000 2.421 544 G HA2 -0.219 3.744 3.960 0.005 0.000 0.300 544 G HA3 -0.219 3.744 3.960 0.005 0.000 0.300 544 G C 0.051 174.962 174.900 0.017 0.000 0.974 544 G CA 0.667 45.801 45.100 0.057 0.000 1.062 544 G HN 0.739 nan 8.290 nan 0.000 0.514 545 T N -0.963 113.590 114.554 -0.002 0.000 2.949 545 T HA 0.591 4.944 4.350 0.005 0.000 0.287 545 T C 0.942 175.634 174.700 -0.013 0.000 1.034 545 T CA 0.156 62.247 62.100 -0.015 0.000 1.018 545 T CB 1.570 70.419 68.868 -0.033 0.000 1.135 545 T HN 0.386 nan 8.240 nan 0.000 0.532 546 D N -1.462 118.932 120.400 -0.010 0.000 2.510 546 D HA 0.092 4.735 4.640 0.005 0.000 0.234 546 D C 0.063 176.356 176.300 -0.011 0.000 1.178 546 D CA -0.326 53.672 54.000 -0.003 0.000 0.816 546 D CB 0.186 41.004 40.800 0.030 0.000 1.143 546 D HN 0.209 nan 8.370 nan 0.000 0.526 547 N N 1.495 120.184 118.700 -0.018 0.000 2.457 547 N HA 0.168 4.911 4.740 0.005 0.000 0.250 547 N C 0.700 176.192 175.510 -0.030 0.000 0.982 547 N CA -0.457 52.582 53.050 -0.018 0.000 0.941 547 N CB 1.139 39.617 38.487 -0.015 0.000 1.120 547 N HN 0.205 nan 8.380 nan 0.000 0.505 548 I N 3.830 124.382 120.570 -0.030 0.000 2.315 548 I HA -0.289 3.884 4.170 0.005 0.000 0.251 548 I C 1.683 177.782 176.117 -0.029 0.000 1.125 548 I CA 1.322 62.601 61.300 -0.034 0.000 1.392 548 I CB 0.245 38.229 38.000 -0.026 0.000 1.065 548 I HN 0.514 nan 8.210 nan 0.000 0.424 549 R N 0.387 120.873 120.500 -0.023 0.000 2.241 549 R HA -0.140 4.203 4.340 0.005 0.000 0.224 549 R C 1.325 177.596 176.300 -0.049 0.000 1.101 549 R CA 1.214 57.297 56.100 -0.028 0.000 0.995 549 R CB -0.334 29.954 30.300 -0.019 0.000 0.870 549 R HN 0.464 nan 8.270 nan 0.000 0.463 550 D N 0.025 120.395 120.400 -0.050 0.000 2.317 550 D HA -0.070 4.573 4.640 0.005 0.000 0.211 550 D C 1.635 177.891 176.300 -0.074 0.000 0.966 550 D CA 0.858 54.821 54.000 -0.063 0.000 0.876 550 D CB 0.385 41.154 40.800 -0.052 0.000 0.927 550 D HN 0.202 nan 8.370 nan 0.000 0.519 551 V N -1.678 118.196 119.914 -0.067 0.000 3.621 551 V HA 0.313 4.437 4.120 0.005 0.000 0.285 551 V C 0.688 176.740 176.094 -0.070 0.000 1.346 551 V CA -0.192 62.065 62.300 -0.070 0.000 1.104 551 V CB -0.230 31.555 31.823 -0.062 0.000 0.913 551 V HN -0.142 nan 8.190 nan 0.000 0.432 552 I N 0.783 121.309 120.570 -0.074 0.000 2.441 552 I HA 0.687 4.860 4.170 0.005 0.000 0.295 552 I C 1.445 177.472 176.117 -0.150 0.000 0.994 552 I CA -0.046 61.211 61.300 -0.072 0.000 1.144 552 I CB 1.947 39.930 38.000 -0.029 0.000 1.314 552 I HN 0.044 nan 8.210 nan 0.000 0.445 553 A N 5.764 128.456 122.820 -0.212 0.000 1.873 553 A HA 0.014 4.337 4.320 0.005 0.000 0.215 553 A C 0.732 177.823 177.584 -0.822 0.000 1.186 553 A CA 1.515 53.236 52.037 -0.527 0.000 0.616 553 A CB -0.155 18.521 19.000 -0.540 0.000 0.823 553 A HN 0.557 nan 8.150 nan 0.000 0.442 554 F N 1.031 120.981 119.950 0.001 0.000 2.449 554 F HA 0.335 4.864 4.527 0.004 0.000 0.344 554 F C -2.329 173.473 175.800 0.002 0.000 1.180 554 F CA -2.858 55.145 58.000 0.004 0.000 1.209 554 F CB 0.916 39.922 39.000 0.010 0.000 1.440 554 F HN 0.087 nan 8.300 nan 0.000 0.526 555 P HA 0.240 nan 4.420 nan 0.000 0.276 555 P C -0.454 176.887 177.300 0.068 0.000 1.244 555 P CA -0.497 62.638 63.100 0.059 0.000 0.801 555 P CB 1.692 33.400 31.700 0.014 0.000 1.006 556 K N 0.489 120.924 120.400 0.059 0.000 2.132 556 K HA 0.364 4.687 4.320 0.005 0.000 0.241 556 K C 0.938 177.563 176.600 0.040 0.000 1.000 556 K CA -0.295 56.023 56.287 0.051 0.000 0.911 556 K CB 0.680 33.213 32.500 0.055 0.000 1.093 556 K HN 0.573 nan 8.250 nan 0.000 0.460 557 T N -2.542 112.033 114.554 0.034 0.000 2.793 557 T HA 0.074 4.427 4.350 0.005 0.000 0.299 557 T C 1.387 176.108 174.700 0.035 0.000 1.038 557 T CA -0.144 61.973 62.100 0.028 0.000 0.948 557 T CB 0.302 69.183 68.868 0.021 0.000 1.231 557 T HN 0.426 nan 8.240 nan 0.000 0.538 558 T N 1.003 115.575 114.554 0.031 0.000 2.788 558 T HA 0.010 4.363 4.350 0.005 0.000 0.268 558 T C 2.082 176.806 174.700 0.041 0.000 1.044 558 T CA 1.371 63.492 62.100 0.035 0.000 1.139 558 T CB -0.894 67.991 68.868 0.028 0.000 0.867 558 T HN 0.804 nan 8.240 nan 0.000 0.454 559 A N 0.510 123.350 122.820 0.034 0.000 2.255 559 A HA 0.570 4.893 4.320 0.005 0.000 0.206 559 A C 1.705 179.315 177.584 0.044 0.000 1.193 559 A CA 1.017 53.075 52.037 0.035 0.000 0.794 559 A CB -1.008 18.006 19.000 0.022 0.000 0.794 559 A HN 0.921 nan 8.150 nan 0.000 0.481 560 A N -3.026 119.826 122.820 0.053 0.000 2.847 560 A HA 0.044 4.367 4.320 0.005 0.000 0.263 560 A C 0.780 178.390 177.584 0.043 0.000 1.391 560 A CA 1.130 53.206 52.037 0.065 0.000 0.866 560 A CB -2.201 16.859 19.000 0.100 0.000 1.057 560 A HN 2.150 nan 8.150 nan 0.000 0.673 561 A N -1.316 121.520 122.820 0.027 0.000 2.306 561 A HA 0.627 4.950 4.320 0.005 0.000 0.330 561 A C 0.309 177.901 177.584 0.014 0.000 1.146 561 A CA 0.229 52.272 52.037 0.010 0.000 0.827 561 A CB 1.039 20.037 19.000 -0.003 0.000 1.178 561 A HN 1.801 nan 8.150 nan 0.000 0.490 562 C N 3.699 123.004 119.300 0.007 0.000 2.251 562 C HA 0.509 4.972 4.460 0.005 0.000 0.323 562 C C 1.396 176.385 174.990 -0.001 0.000 1.241 562 C CA -0.643 58.385 59.018 0.015 0.000 1.601 562 C CB -1.645 26.105 27.740 0.017 0.000 2.251 562 C HN 0.810 nan 8.230 nan 0.000 0.488 563 L N 4.941 126.164 121.223 -0.001 0.000 2.362 563 L HA -0.088 4.255 4.340 0.005 0.000 0.219 563 L C 2.246 179.088 176.870 -0.047 0.000 1.134 563 L CA 1.072 55.897 54.840 -0.025 0.000 0.807 563 L CB -0.432 41.610 42.059 -0.028 0.000 0.927 563 L HN 0.804 nan 8.230 nan 0.000 0.447 564 M N 0.018 119.606 119.600 -0.021 0.000 2.142 564 M HA -0.130 4.353 4.480 0.005 0.000 0.256 564 M C 2.411 178.696 176.300 -0.025 0.000 1.098 564 M CA 2.086 57.374 55.300 -0.020 0.000 1.151 564 M CB -0.015 32.620 32.600 0.059 0.000 1.299 564 M HN 0.255 nan 8.290 nan 0.000 0.431 565 T N -2.376 112.163 114.554 -0.024 0.000 3.035 565 T HA -0.004 4.349 4.350 0.005 0.000 0.268 565 T C 0.529 175.209 174.700 -0.034 0.000 1.109 565 T CA 1.122 63.199 62.100 -0.039 0.000 1.119 565 T CB -0.360 68.475 68.868 -0.056 0.000 0.900 565 T HN 0.666 nan 8.240 nan 0.000 0.503 566 E N -0.055 120.126 120.200 -0.032 0.000 2.694 566 E HA -0.150 4.203 4.350 0.005 0.000 0.272 566 E C 0.122 176.697 176.600 -0.041 0.000 1.040 566 E CA 0.022 56.401 56.400 -0.035 0.000 0.809 566 E CB -1.750 27.931 29.700 -0.033 0.000 1.389 566 E HN 0.855 nan 8.360 nan 0.000 0.413 567 A N 1.073 123.871 122.820 -0.036 0.000 2.279 567 A HA 0.657 4.980 4.320 0.005 0.000 0.303 567 A C -2.040 175.520 177.584 -0.039 0.000 1.108 567 A CA -1.088 50.925 52.037 -0.040 0.000 0.830 567 A CB 0.546 19.527 19.000 -0.031 0.000 1.106 567 A HN 0.021 nan 8.150 nan 0.000 0.493 568 P HA 0.293 nan 4.420 nan 0.000 0.274 568 P C -0.374 176.858 177.300 -0.114 0.000 1.237 568 P CA -0.022 63.040 63.100 -0.062 0.000 0.793 568 P CB 1.295 32.966 31.700 -0.047 0.000 0.977 569 S N 0.098 115.737 115.700 -0.102 0.000 2.704 569 S HA 0.603 5.077 4.470 0.005 0.000 0.296 569 S C -0.439 174.096 174.600 -0.109 0.000 1.138 569 S CA -0.720 57.394 58.200 -0.143 0.000 0.875 569 S CB 0.465 63.634 63.200 -0.052 0.000 1.151 569 S HN 0.131 nan 8.310 nan 0.000 0.500 570 F N 1.547 121.507 119.950 0.016 0.000 2.529 570 F HA 0.535 5.065 4.527 0.005 0.000 0.365 570 F C 1.142 176.951 175.800 0.015 0.000 1.102 570 F CA -0.085 57.925 58.000 0.017 0.000 1.271 570 F CB 0.356 39.365 39.000 0.014 0.000 1.120 570 F HN 0.875 nan 8.300 nan 0.000 0.579 571 A N 3.271 126.239 122.820 0.246 0.000 2.302 571 A HA 0.312 4.635 4.320 0.005 0.000 0.285 571 A C 0.177 177.823 177.584 0.104 0.000 1.105 571 A CA -0.783 51.335 52.037 0.135 0.000 0.816 571 A CB 0.270 19.335 19.000 0.109 0.000 1.067 571 A HN 0.702 nan 8.150 nan 0.000 0.489 572 N N 1.346 120.087 118.700 0.068 0.000 2.483 572 N HA 0.105 4.848 4.740 0.005 0.000 0.264 572 N C -1.876 173.653 175.510 0.033 0.000 1.197 572 N CA -1.532 51.544 53.050 0.043 0.000 0.927 572 N CB 1.045 39.551 38.487 0.031 0.000 1.065 572 N HN 0.179 nan 8.380 nan 0.000 0.461 573 P HA -0.079 nan 4.420 nan 0.000 0.218 573 P C 1.143 178.449 177.300 0.010 0.000 1.148 573 P CA 1.253 64.359 63.100 0.011 0.000 0.822 573 P CB 0.233 31.931 31.700 -0.003 0.000 0.784 574 T N -0.385 114.174 114.554 0.008 0.000 2.607 574 T HA -0.223 4.131 4.350 0.005 0.000 0.267 574 T C 1.865 176.569 174.700 0.007 0.000 1.049 574 T CA 2.027 64.130 62.100 0.005 0.000 1.162 574 T CB -1.035 67.835 68.868 0.004 0.000 0.863 574 T HN 0.040 nan 8.240 nan 0.000 0.424 575 A N 1.117 123.945 122.820 0.013 0.000 1.908 575 A HA -0.050 4.273 4.320 0.005 0.000 0.218 575 A C 2.326 179.921 177.584 0.017 0.000 1.181 575 A CA 1.406 53.452 52.037 0.015 0.000 0.627 575 A CB -0.916 18.098 19.000 0.023 0.000 0.818 575 A HN 0.520 nan 8.150 nan 0.000 0.445 576 L N -1.073 120.165 121.223 0.026 0.000 2.131 576 L HA -0.190 4.153 4.340 0.005 0.000 0.210 576 L C 3.072 179.951 176.870 0.016 0.000 1.092 576 L CA 0.921 55.779 54.840 0.030 0.000 0.759 576 L CB -0.706 41.377 42.059 0.040 0.000 0.903 576 L HN 0.495 nan 8.230 nan 0.000 0.435 577 A N 0.742 123.568 122.820 0.009 0.000 1.858 577 A HA -0.209 4.114 4.320 0.005 0.000 0.216 577 A C 2.128 179.708 177.584 -0.007 0.000 1.190 577 A CA 1.623 53.661 52.037 0.001 0.000 0.617 577 A CB -0.441 18.558 19.000 -0.001 0.000 0.827 577 A HN 0.509 nan 8.150 nan 0.000 0.443 578 E N -0.306 119.888 120.200 -0.009 0.000 2.153 578 E HA -0.137 4.216 4.350 0.005 0.000 0.194 578 E C 1.343 177.926 176.600 -0.029 0.000 0.988 578 E CA 0.784 57.173 56.400 -0.018 0.000 0.811 578 E CB -0.258 29.433 29.700 -0.016 0.000 0.746 578 E HN 0.368 nan 8.360 nan 0.000 0.466 579 L N 0.650 121.858 121.223 -0.024 0.000 2.551 579 L HA 0.050 4.393 4.340 0.005 0.000 0.228 579 L C 0.990 177.825 176.870 -0.058 0.000 1.153 579 L CA 0.806 55.618 54.840 -0.046 0.000 0.851 579 L CB -0.806 41.239 42.059 -0.023 0.000 0.959 579 L HN 0.059 nan 8.230 nan 0.000 0.451 580 S N -0.167 115.515 115.700 -0.030 0.000 3.698 580 S HA -0.182 4.291 4.470 0.005 0.000 0.338 580 S C 0.207 174.811 174.600 0.008 0.000 1.089 580 S CA 0.986 59.174 58.200 -0.020 0.000 0.991 580 S CB -1.587 61.587 63.200 -0.043 0.000 0.909 580 S HN 0.483 nan 8.310 nan 0.000 0.485 581 I N -1.742 118.846 120.570 0.030 0.000 3.174 581 I HA 0.851 5.024 4.170 0.005 0.000 0.313 581 I C -0.844 175.309 176.117 0.060 0.000 1.155 581 I CA -1.138 60.206 61.300 0.073 0.000 0.977 581 I CB 2.142 40.223 38.000 0.134 0.000 1.248 581 I HN 0.332 nan 8.210 nan 0.000 0.453 582 Q N 1.514 121.354 119.800 0.067 0.000 2.472 582 Q HA 0.587 4.930 4.340 0.005 0.000 0.281 582 Q C -2.029 174.005 176.000 0.057 0.000 0.997 582 Q CA -1.011 54.823 55.803 0.052 0.000 0.828 582 Q CB 2.357 31.116 28.738 0.034 0.000 1.443 582 Q HN 0.574 nan 8.270 nan 0.000 0.390 583 V N 1.955 121.902 119.914 0.055 0.000 2.614 583 V HA 0.518 4.641 4.120 0.005 0.000 0.291 583 V C 0.574 176.693 176.094 0.040 0.000 1.049 583 V CA -0.113 62.223 62.300 0.060 0.000 1.038 583 V CB 0.676 32.546 31.823 0.077 0.000 0.980 583 V HN 0.674 nan 8.190 nan 0.000 0.481 584 V N 2.165 122.103 119.914 0.039 0.000 3.156 584 V HA 0.943 5.066 4.120 0.005 0.000 0.311 584 V C -0.917 175.194 176.094 0.028 0.000 1.208 584 V CA -1.072 61.245 62.300 0.027 0.000 1.063 584 V CB 2.388 34.225 31.823 0.024 0.000 1.098 584 V HN 1.026 nan 8.190 nan 0.000 0.452 585 K N 0.226 120.638 120.400 0.020 0.000 2.557 585 K HA 0.461 4.784 4.320 0.005 0.000 0.261 585 K C -1.129 175.479 176.600 0.014 0.000 0.932 585 K CA -0.871 55.428 56.287 0.020 0.000 0.829 585 K CB 2.116 34.630 32.500 0.022 0.000 1.358 585 K HN 0.815 nan 8.250 nan 0.000 0.430 586 K N 1.711 122.119 120.400 0.012 0.000 2.440 586 K HA -0.031 4.292 4.320 0.005 0.000 0.275 586 K C -0.147 176.458 176.600 0.008 0.000 1.082 586 K CA 0.555 56.847 56.287 0.009 0.000 1.135 586 K CB 0.212 32.717 32.500 0.008 0.000 0.864 586 K HN 0.712 nan 8.250 nan 0.000 0.479 587 A N 5.277 128.100 122.820 0.006 0.000 3.135 587 A HA 0.035 4.358 4.320 0.005 0.000 0.253 587 A C 0.033 177.619 177.584 0.004 0.000 1.638 587 A CA -0.347 51.693 52.037 0.005 0.000 1.295 587 A CB -0.447 18.555 19.000 0.004 0.000 1.106 587 A HN 0.908 nan 8.150 nan 0.000 0.648 588 E N 2.522 122.725 120.200 0.005 0.000 2.603 588 E HA -0.120 4.234 4.350 0.005 0.000 0.242 588 E C 0.957 177.559 176.600 0.003 0.000 1.083 588 E CA 0.583 56.985 56.400 0.004 0.000 0.950 588 E CB -0.016 29.687 29.700 0.005 0.000 0.952 588 E HN 0.739 nan 8.360 nan 0.000 0.498 589 N N 3.945 122.647 118.700 0.002 0.000 2.586 589 N HA -0.374 4.369 4.740 0.005 0.000 0.244 589 N C -0.745 174.766 175.510 0.002 0.000 1.215 589 N CA 2.205 55.256 53.050 0.002 0.000 0.796 589 N CB -1.370 37.118 38.487 0.002 0.000 1.185 589 N HN 0.802 nan 8.380 nan 0.000 0.577 590 N N 0.000 118.701 118.700 0.002 0.000 1.763 590 N HA 0.000 4.743 4.740 0.005 0.000 0.220 590 N CA 0.000 53.051 53.050 0.002 0.000 0.885 590 N CB 0.000 38.488 38.487 0.002 0.000 1.341 590 N HN 0.000 nan 8.380 nan 0.000 0.667