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_C 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 0.000 176.247 176.300 -0.088 0.000 1.140 1 M CA 0.000 55.259 55.300 -0.069 0.000 0.988 1 M CB 0.000 32.554 32.600 -0.077 0.000 1.302 2 R N 1.226 121.647 120.500 -0.131 0.000 2.802 2 R HA 0.192 4.532 4.340 -0.000 0.000 0.264 2 R C 0.668 176.885 176.300 -0.139 0.000 0.996 2 R CA 1.227 57.227 56.100 -0.168 0.000 1.123 2 R CB -0.276 29.848 30.300 -0.295 0.000 0.996 2 R HN 0.540 nan 8.270 nan 0.000 0.444 3 T N -3.024 111.458 114.554 -0.119 0.000 2.999 3 T HA 0.200 4.550 4.350 -0.000 0.000 0.247 3 T C 0.042 174.704 174.700 -0.064 0.000 1.012 3 T CA -0.029 62.030 62.100 -0.069 0.000 1.048 3 T CB 0.306 69.152 68.868 -0.036 0.000 1.020 3 T HN 0.640 nan 8.240 nan 0.000 0.478 4 E N -0.797 119.339 120.200 -0.106 0.000 2.450 4 E HA 0.631 4.981 4.350 -0.000 0.000 0.272 4 E C -2.051 174.456 176.600 -0.154 0.000 0.967 4 E CA -0.886 55.474 56.400 -0.067 0.000 0.818 4 E CB 1.617 31.280 29.700 -0.061 0.000 1.401 4 E HN 0.308 nan 8.360 nan 0.000 0.450 5 Y N 0.079 120.359 120.300 -0.034 0.000 2.360 5 Y HA 0.194 4.744 4.550 -0.000 0.000 0.337 5 Y C 1.025 176.906 175.900 -0.031 0.000 1.039 5 Y CA -0.652 57.442 58.100 -0.011 0.000 1.109 5 Y CB 1.083 39.549 38.460 0.010 0.000 1.201 5 Y HN 0.628 nan 8.280 nan 0.000 0.458 6 C N 1.501 120.879 119.300 0.129 0.000 2.363 6 C HA -0.262 4.198 4.460 -0.000 0.000 0.274 6 C C 2.674 177.703 174.990 0.066 0.000 1.183 6 C CA 2.046 61.110 59.018 0.076 0.000 1.771 6 C CB -1.315 26.488 27.740 0.105 0.000 2.059 6 C HN 1.206 nan 8.230 nan 0.000 0.455 7 G N -1.173 107.689 108.800 0.103 0.000 2.679 7 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.212 7 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.212 7 G C 1.541 176.462 174.900 0.036 0.000 1.137 7 G CA 0.283 45.420 45.100 0.062 0.000 0.787 7 G HN 0.749 nan 8.290 nan 0.000 0.534 8 Q N -0.492 119.328 119.800 0.034 0.000 2.250 8 Q HA 0.220 4.560 4.340 -0.000 0.000 0.200 8 Q C 0.682 176.650 176.000 -0.054 0.000 0.941 8 Q CA -0.276 55.534 55.803 0.012 0.000 0.872 8 Q CB 0.027 28.791 28.738 0.044 0.000 0.965 8 Q HN 0.379 nan 8.270 nan 0.000 0.480 9 L N 2.764 123.873 121.223 -0.190 0.000 2.678 9 L HA -0.114 4.226 4.340 -0.000 0.000 0.285 9 L C 0.400 177.286 176.870 0.028 0.000 1.233 9 L CA 0.593 55.253 54.840 -0.300 0.000 0.920 9 L CB -0.247 41.695 42.059 -0.196 0.000 1.176 9 L HN 0.138 nan 8.230 nan 0.000 0.495 10 R N 2.718 123.427 120.500 0.350 0.000 2.905 10 R HA 0.341 4.681 4.340 -0.000 0.000 0.260 10 R C 0.805 177.235 176.300 0.218 0.000 1.086 10 R CA -1.006 55.254 56.100 0.266 0.000 0.978 10 R CB 0.967 31.404 30.300 0.228 0.000 1.215 10 R HN 0.531 nan 8.270 nan 0.000 0.480 11 L N 1.376 122.663 121.223 0.107 0.000 2.261 11 L HA -0.216 4.124 4.340 -0.000 0.000 0.216 11 L C 2.080 178.975 176.870 0.042 0.000 1.114 11 L CA 1.805 56.684 54.840 0.066 0.000 0.777 11 L CB -0.171 41.911 42.059 0.038 0.000 0.910 11 L HN 0.713 nan 8.230 nan 0.000 0.440 12 S N -2.260 113.444 115.700 0.008 0.000 2.453 12 S HA -0.186 4.284 4.470 -0.000 0.000 0.231 12 S C 1.489 175.977 174.600 -0.187 0.000 1.005 12 S CA 0.781 58.914 58.200 -0.112 0.000 0.949 12 S CB -0.490 62.590 63.200 -0.199 0.000 0.774 12 S HN 0.548 nan 8.310 nan 0.000 0.510 13 H N 0.531 119.609 119.070 0.015 0.000 2.548 13 H HA 0.406 4.962 4.556 -0.000 0.000 0.265 13 H C 0.389 175.723 175.328 0.010 0.000 0.969 13 H CA 0.034 56.090 56.048 0.013 0.000 1.155 13 H CB -0.211 29.561 29.762 0.017 0.000 1.394 13 H HN 0.163 nan 8.280 nan 0.000 0.570 14 V N 1.101 121.075 119.914 0.100 0.000 2.726 14 V HA -0.072 4.048 4.120 -0.000 0.000 0.304 14 V C 1.640 177.760 176.094 0.044 0.000 1.115 14 V CA 1.862 64.200 62.300 0.063 0.000 1.264 14 V CB 0.050 31.898 31.823 0.041 0.000 0.867 14 V HN 0.905 nan 8.190 nan 0.000 0.498 15 G N 3.181 112.003 108.800 0.037 0.000 2.336 15 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.233 15 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.233 15 G C 0.209 175.123 174.900 0.024 0.000 1.053 15 G CA 0.266 45.380 45.100 0.024 0.000 0.625 15 G HN 0.700 nan 8.290 nan 0.000 0.511 16 Q N 0.663 120.487 119.800 0.041 0.000 2.417 16 Q HA 0.480 4.820 4.340 -0.000 0.000 0.241 16 Q C 0.262 176.275 176.000 0.023 0.000 1.008 16 Q CA 0.033 55.859 55.803 0.040 0.000 0.901 16 Q CB 0.798 29.581 28.738 0.075 0.000 1.259 16 Q HN 0.580 nan 8.270 nan 0.000 0.489 17 Q N 1.222 121.029 119.800 0.010 0.000 2.230 17 Q HA 0.506 4.846 4.340 -0.000 0.000 0.253 17 Q C -1.109 174.886 176.000 -0.008 0.000 0.919 17 Q CA -0.601 55.197 55.803 -0.008 0.000 0.908 17 Q CB 1.374 30.103 28.738 -0.014 0.000 1.245 17 Q HN 0.529 nan 8.270 nan 0.000 0.437 18 V N -0.147 119.751 119.914 -0.026 0.000 3.160 18 V HA 0.766 4.886 4.120 -0.000 0.000 0.310 18 V C -0.942 175.121 176.094 -0.050 0.000 1.181 18 V CA -0.684 61.595 62.300 -0.035 0.000 1.047 18 V CB 2.274 34.071 31.823 -0.043 0.000 1.068 18 V HN 0.782 nan 8.190 nan 0.000 0.441 19 T N 3.348 117.865 114.554 -0.061 0.000 2.890 19 T HA 0.672 5.022 4.350 -0.000 0.000 0.295 19 T C -0.651 173.994 174.700 -0.092 0.000 0.993 19 T CA -0.231 61.828 62.100 -0.069 0.000 0.979 19 T CB 0.863 69.693 68.868 -0.063 0.000 0.967 19 T HN 0.693 nan 8.240 nan 0.000 0.441 20 L N 2.006 123.178 121.223 -0.084 0.000 2.331 20 L HA 0.686 5.026 4.340 -0.000 0.000 0.275 20 L C -0.441 176.367 176.870 -0.103 0.000 1.022 20 L CA -0.909 53.874 54.840 -0.094 0.000 0.812 20 L CB 1.629 43.655 42.059 -0.055 0.000 1.257 20 L HN 0.618 nan 8.230 nan 0.000 0.435 21 C N 2.475 121.695 119.300 -0.134 0.000 2.344 21 C HA 0.876 5.336 4.460 -0.000 0.000 0.326 21 C C 0.609 175.478 174.990 -0.202 0.000 1.201 21 C CA -0.384 58.529 59.018 -0.175 0.000 1.410 21 C CB 0.159 27.790 27.740 -0.181 0.000 2.070 21 C HN 1.045 nan 8.230 nan 0.000 0.445 22 G N 2.055 110.672 108.800 -0.305 0.000 2.588 22 G HA2 0.584 4.544 3.960 -0.000 0.000 0.281 22 G HA3 0.584 4.544 3.960 -0.000 0.000 0.281 22 G C -1.776 172.802 174.900 -0.536 0.000 1.223 22 G CA -0.346 44.550 45.100 -0.339 0.000 0.871 22 G HN 0.561 nan 8.290 nan 0.000 0.492 23 W N -0.067 121.288 121.300 0.092 0.000 2.781 23 W HA 0.556 5.216 4.660 -0.000 0.000 0.345 23 W C -0.538 176.049 176.519 0.112 0.000 1.085 23 W CA -0.700 56.711 57.345 0.109 0.000 1.198 23 W CB 2.041 31.561 29.460 0.101 0.000 1.423 23 W HN 0.248 nan 8.180 nan 0.000 0.532 24 V N 2.132 122.238 119.914 0.321 0.000 2.439 24 V HA -0.099 4.021 4.120 -0.000 0.000 0.271 24 V C 0.662 176.884 176.094 0.214 0.000 1.040 24 V CA 0.431 62.860 62.300 0.215 0.000 1.002 24 V CB 0.634 32.535 31.823 0.131 0.000 1.000 24 V HN 0.589 nan 8.190 nan 0.000 0.477 25 N N 3.225 122.030 118.700 0.174 0.000 2.402 25 N HA 0.057 4.797 4.740 -0.000 0.000 0.174 25 N C 0.645 176.212 175.510 0.094 0.000 1.027 25 N CA 0.287 53.417 53.050 0.134 0.000 0.891 25 N CB 0.360 38.918 38.487 0.119 0.000 1.016 25 N HN 0.681 nan 8.380 nan 0.000 0.439 26 R N 0.263 120.816 120.500 0.089 0.000 2.644 26 R HA 0.258 4.598 4.340 -0.000 0.000 0.257 26 R C -2.044 174.300 176.300 0.074 0.000 1.082 26 R CA -0.596 55.543 56.100 0.066 0.000 0.927 26 R CB 0.637 30.970 30.300 0.056 0.000 1.258 26 R HN 0.149 nan 8.270 nan 0.000 0.459 27 R N 2.779 123.310 120.500 0.053 0.000 2.750 27 R HA 0.629 4.969 4.340 -0.000 0.000 0.281 27 R C -1.088 175.253 176.300 0.070 0.000 0.972 27 R CA -0.750 55.389 56.100 0.065 0.000 0.912 27 R CB 1.338 31.645 30.300 0.011 0.000 1.187 27 R HN 0.635 nan 8.270 nan 0.000 0.464 28 R N 2.604 123.178 120.500 0.122 0.000 2.548 28 R HA 0.188 4.528 4.340 -0.000 0.000 0.280 28 R C -0.832 175.590 176.300 0.204 0.000 1.061 28 R CA -0.697 55.474 56.100 0.118 0.000 0.915 28 R CB 1.837 32.185 30.300 0.081 0.000 1.210 28 R HN 0.748 nan 8.270 nan 0.000 0.442 29 D N 1.258 121.744 120.400 0.143 0.000 2.154 29 D HA 0.103 4.743 4.640 -0.000 0.000 0.211 29 D C 0.384 176.818 176.300 0.223 0.000 0.977 29 D CA 0.429 54.525 54.000 0.161 0.000 0.869 29 D CB 0.328 41.174 40.800 0.076 0.000 1.022 29 D HN 0.396 nan 8.370 nan 0.000 0.461 30 L N -0.395 120.913 121.223 0.141 0.000 3.573 30 L HA -0.191 4.149 4.340 -0.000 0.000 0.578 30 L C 0.520 177.466 176.870 0.127 0.000 1.299 30 L CA -0.105 54.810 54.840 0.126 0.000 0.914 30 L CB -1.440 40.714 42.059 0.159 0.000 1.563 30 L HN 0.501 nan 8.230 nan 0.000 0.860 31 G N 0.524 109.373 108.800 0.082 0.000 2.496 31 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.243 31 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.243 31 G C 0.406 175.346 174.900 0.066 0.000 1.176 31 G CA 0.213 45.355 45.100 0.069 0.000 0.940 31 G HN 0.856 nan 8.290 nan 0.000 0.573 32 S N 0.469 116.208 115.700 0.066 0.000 2.528 32 S HA 0.306 4.776 4.470 -0.000 0.000 0.219 32 S C 1.246 175.884 174.600 0.062 0.000 0.985 32 S CA 0.483 58.714 58.200 0.051 0.000 0.914 32 S CB -0.081 63.145 63.200 0.044 0.000 0.776 32 S HN 0.573 nan 8.310 nan 0.000 0.526 33 L N 2.291 123.573 121.223 0.099 0.000 2.416 33 L HA 0.341 4.681 4.340 -0.000 0.000 0.272 33 L C -0.255 176.599 176.870 -0.027 0.000 1.161 33 L CA 0.143 55.037 54.840 0.090 0.000 0.845 33 L CB 0.212 42.333 42.059 0.103 0.000 1.119 33 L HN 0.145 nan 8.230 nan 0.000 0.464 34 I N 3.160 123.685 120.570 -0.075 0.000 2.389 34 I HA 0.327 4.497 4.170 -0.000 0.000 0.288 34 I C -0.774 175.282 176.117 -0.101 0.000 0.999 34 I CA -0.257 61.018 61.300 -0.043 0.000 1.129 34 I CB 1.235 39.218 38.000 -0.028 0.000 1.288 34 I HN 0.324 nan 8.210 nan 0.000 0.444 35 F N 6.859 126.934 119.950 0.209 0.000 2.436 35 F HA 0.567 5.094 4.527 -0.000 0.000 0.340 35 F C -0.133 175.768 175.800 0.167 0.000 1.113 35 F CA -0.665 57.448 58.000 0.188 0.000 1.022 35 F CB 1.463 40.489 39.000 0.044 0.000 1.128 35 F HN 0.183 nan 8.300 nan 0.000 0.466 36 I N 2.644 123.430 120.570 0.360 0.000 2.545 36 I HA 0.279 4.449 4.170 -0.000 0.000 0.292 36 I C -0.864 175.381 176.117 0.214 0.000 1.040 36 I CA -0.648 60.810 61.300 0.263 0.000 1.068 36 I CB 1.765 39.953 38.000 0.313 0.000 1.251 36 I HN 0.373 nan 8.210 nan 0.000 0.424 37 D N 6.825 127.322 120.400 0.161 0.000 2.380 37 D HA 0.302 4.942 4.640 -0.000 0.000 0.230 37 D C -0.320 176.065 176.300 0.142 0.000 1.154 37 D CA -0.048 54.031 54.000 0.131 0.000 0.859 37 D CB 1.026 41.887 40.800 0.101 0.000 1.045 37 D HN 0.384 nan 8.370 nan 0.000 0.495 38 M N 2.894 122.578 119.600 0.140 0.000 2.233 38 M HA 0.288 4.768 4.480 -0.000 0.000 0.355 38 M C -0.361 176.036 176.300 0.162 0.000 1.191 38 M CA -0.405 54.986 55.300 0.152 0.000 1.101 38 M CB 1.144 33.819 32.600 0.126 0.000 1.592 38 M HN 0.119 nan 8.290 nan 0.000 0.461 39 R N 3.450 124.087 120.500 0.227 0.000 2.621 39 R HA 0.452 4.792 4.340 -0.000 0.000 0.292 39 R C -1.917 174.620 176.300 0.395 0.000 0.969 39 R CA -0.536 55.716 56.100 0.254 0.000 0.887 39 R CB 1.391 31.819 30.300 0.213 0.000 1.180 39 R HN 0.883 nan 8.270 nan 0.000 0.450 40 D N 1.891 122.485 120.400 0.323 0.000 2.636 40 D HA 0.149 4.789 4.640 -0.000 0.000 0.275 40 D C 0.242 176.697 176.300 0.257 0.000 1.130 40 D CA -0.906 53.345 54.000 0.418 0.000 1.031 40 D CB 0.637 41.688 40.800 0.420 0.000 1.451 40 D HN 0.547 nan 8.370 nan 0.000 0.505 41 R N -0.899 119.740 120.500 0.233 0.000 2.377 41 R HA 0.037 4.377 4.340 -0.000 0.000 0.207 41 R C 0.660 176.956 176.300 -0.006 0.000 1.075 41 R CA 1.169 57.309 56.100 0.067 0.000 1.035 41 R CB -0.395 29.922 30.300 0.029 0.000 0.857 41 R HN 0.304 nan 8.270 nan 0.000 0.475 42 E N -0.098 120.122 120.200 0.033 0.000 2.498 42 E HA 0.272 4.622 4.350 -0.000 0.000 0.203 42 E C 0.192 176.805 176.600 0.022 0.000 1.013 42 E CA 0.639 57.025 56.400 -0.023 0.000 0.927 42 E CB 1.099 30.771 29.700 -0.046 0.000 1.012 42 E HN 0.512 nan 8.360 nan 0.000 0.482 43 G N -0.410 108.423 108.800 0.055 0.000 2.316 43 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.349 43 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.349 43 G C -1.104 173.844 174.900 0.079 0.000 1.274 43 G CA -0.666 44.464 45.100 0.050 0.000 1.018 43 G HN 0.028 nan 8.290 nan 0.000 0.486 44 I N 0.100 120.709 120.570 0.065 0.000 2.412 44 I HA 0.626 4.796 4.170 -0.000 0.000 0.296 44 I C -0.012 176.144 176.117 0.065 0.000 0.987 44 I CA -1.067 60.279 61.300 0.076 0.000 1.180 44 I CB 1.735 39.775 38.000 0.067 0.000 1.340 44 I HN 0.469 nan 8.210 nan 0.000 0.455 45 V N 6.478 126.436 119.914 0.073 0.000 2.656 45 V HA 0.322 4.442 4.120 -0.000 0.000 0.307 45 V C -0.509 175.630 176.094 0.075 0.000 1.051 45 V CA -0.438 61.897 62.300 0.059 0.000 0.893 45 V CB 2.087 33.934 31.823 0.040 0.000 0.999 45 V HN 0.846 nan 8.190 nan 0.000 0.426 46 Q N 4.316 124.162 119.800 0.076 0.000 2.295 46 Q HA 0.565 4.905 4.340 -0.000 0.000 0.259 46 Q C -1.214 174.854 176.000 0.115 0.000 0.976 46 Q CA -0.154 55.717 55.803 0.112 0.000 0.923 46 Q CB 1.677 30.480 28.738 0.108 0.000 1.185 46 Q HN 0.757 nan 8.270 nan 0.000 0.410 47 V N 6.506 126.498 119.914 0.130 0.000 2.444 47 V HA 0.512 4.632 4.120 -0.000 0.000 0.294 47 V C -1.603 174.528 176.094 0.061 0.000 1.022 47 V CA -0.823 61.490 62.300 0.022 0.000 0.850 47 V CB 1.314 33.075 31.823 -0.102 0.000 0.992 47 V HN 0.791 nan 8.190 nan 0.000 0.426 48 F N 8.264 128.102 119.950 -0.186 0.000 2.405 48 F HA 0.692 5.219 4.527 -0.000 0.000 0.355 48 F C -0.969 174.569 175.800 -0.436 0.000 1.121 48 F CA -1.973 55.865 58.000 -0.270 0.000 1.112 48 F CB 0.871 39.815 39.000 -0.094 0.000 1.126 48 F HN 0.470 nan 8.300 nan 0.000 0.481 49 F N 4.616 124.479 119.950 -0.145 0.000 2.411 49 F HA 0.265 4.791 4.527 -0.000 0.000 0.350 49 F C 0.502 175.965 175.800 -0.562 0.000 1.114 49 F CA -0.548 57.256 58.000 -0.327 0.000 1.135 49 F CB 0.438 39.341 39.000 -0.162 0.000 1.120 49 F HN 0.427 nan 8.300 nan 0.000 0.495 50 D N 5.238 125.368 120.400 -0.449 0.000 2.362 50 D HA 0.031 4.671 4.640 -0.000 0.000 0.238 50 D C -1.457 174.748 176.300 -0.158 0.000 1.212 50 D CA -0.907 52.845 54.000 -0.412 0.000 0.902 50 D CB 0.349 40.970 40.800 -0.298 0.000 1.180 50 D HN 0.232 nan 8.370 nan 0.000 0.445 51 P HA -0.070 nan 4.420 nan 0.000 0.215 51 P C 0.509 177.791 177.300 -0.030 0.000 1.157 51 P CA 0.988 64.067 63.100 -0.035 0.000 0.869 51 P CB 0.248 31.948 31.700 -0.001 0.000 0.781 52 D N -0.742 119.636 120.400 -0.036 0.000 2.289 52 D HA -0.066 4.574 4.640 -0.000 0.000 0.207 52 D C 1.054 177.336 176.300 -0.029 0.000 0.966 52 D CA 0.058 54.041 54.000 -0.027 0.000 0.868 52 D CB -0.652 40.134 40.800 -0.024 0.000 0.943 52 D HN -0.007 nan 8.370 nan 0.000 0.514 53 R N 0.906 121.382 120.500 -0.039 0.000 2.583 53 R HA 0.158 4.498 4.340 -0.000 0.000 0.274 53 R C 0.938 177.226 176.300 -0.019 0.000 0.998 53 R CA 0.569 56.649 56.100 -0.032 0.000 1.081 53 R CB 0.483 30.760 30.300 -0.038 0.000 0.940 53 R HN 0.064 nan 8.270 nan 0.000 0.413 54 A N 3.455 126.266 122.820 -0.016 0.000 2.238 54 A HA 0.005 4.325 4.320 -0.000 0.000 0.208 54 A C 0.521 178.099 177.584 -0.010 0.000 1.177 54 A CA 0.803 52.832 52.037 -0.013 0.000 0.804 54 A CB -0.108 18.885 19.000 -0.013 0.000 0.823 54 A HN 0.804 nan 8.150 nan 0.000 0.482 55 D N 0.043 120.440 120.400 -0.004 0.000 3.012 55 D HA 0.265 4.905 4.640 -0.000 0.000 0.284 55 D C 1.966 178.275 176.300 0.015 0.000 1.259 55 D CA 0.868 54.871 54.000 0.005 0.000 1.036 55 D CB -1.033 39.774 40.800 0.012 0.000 1.167 55 D HN 0.255 nan 8.370 nan 0.000 0.429 56 A N 2.547 125.398 122.820 0.052 0.000 3.246 56 A HA -0.213 4.107 4.320 -0.000 0.000 0.432 56 A C 2.041 179.629 177.584 0.007 0.000 0.580 56 A CA 1.079 53.193 52.037 0.127 0.000 1.769 56 A CB -1.184 17.916 19.000 0.167 0.000 0.976 56 A HN 0.356 nan 8.150 nan 0.000 0.571 57 L N -1.263 119.965 121.223 0.008 0.000 2.397 57 L HA -0.411 3.928 4.340 -0.000 0.000 0.225 57 L C 2.599 179.415 176.870 -0.091 0.000 1.116 57 L CA 2.656 57.460 54.840 -0.059 0.000 0.850 57 L CB -0.788 41.255 42.059 -0.027 0.000 0.919 57 L HN 0.787 nan 8.230 nan 0.000 0.453 58 K N -0.396 119.966 120.400 -0.064 0.000 1.963 58 K HA -0.203 4.117 4.320 -0.000 0.000 0.216 58 K C 1.977 178.526 176.600 -0.085 0.000 1.045 58 K CA 1.478 57.729 56.287 -0.060 0.000 0.954 58 K CB -0.086 32.392 32.500 -0.037 0.000 0.732 58 K HN 0.065 nan 8.250 nan 0.000 0.442 59 L N 1.155 122.330 121.223 -0.082 0.000 2.013 59 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 59 L C 2.510 179.276 176.870 -0.173 0.000 1.073 59 L CA 2.130 56.916 54.840 -0.089 0.000 0.753 59 L CB -1.543 40.477 42.059 -0.064 0.000 0.890 59 L HN 0.298 nan 8.230 nan 0.000 0.432 60 A N -0.112 122.532 122.820 -0.293 0.000 2.032 60 A HA -0.227 4.093 4.320 -0.000 0.000 0.221 60 A C 2.454 179.808 177.584 -0.383 0.000 1.165 60 A CA 1.979 53.684 52.037 -0.554 0.000 0.645 60 A CB -0.923 17.535 19.000 -0.903 0.000 0.807 60 A HN 0.600 nan 8.150 nan 0.000 0.453 61 S N -0.490 115.070 115.700 -0.233 0.000 2.515 61 S HA -0.060 4.410 4.470 -0.000 0.000 0.231 61 S C 1.143 175.647 174.600 -0.159 0.000 0.987 61 S CA 1.075 59.176 58.200 -0.164 0.000 0.936 61 S CB -0.234 62.904 63.200 -0.102 0.000 0.766 61 S HN 0.721 nan 8.310 nan 0.000 0.528 62 E N 0.657 120.754 120.200 -0.171 0.000 2.498 62 E HA 0.285 4.635 4.350 -0.000 0.000 0.203 62 E C -0.250 176.147 176.600 -0.338 0.000 1.013 62 E CA -0.318 55.986 56.400 -0.159 0.000 0.927 62 E CB 0.154 29.826 29.700 -0.046 0.000 1.012 62 E HN 0.517 nan 8.360 nan 0.000 0.482 63 L N 2.096 123.075 121.223 -0.407 0.000 2.514 63 L HA 0.089 4.429 4.340 -0.000 0.000 0.280 63 L C 0.711 177.088 176.870 -0.821 0.000 1.223 63 L CA 0.694 55.137 54.840 -0.662 0.000 0.864 63 L CB 0.115 41.938 42.059 -0.393 0.000 1.118 63 L HN -0.022 nan 8.230 nan 0.000 0.494 64 R N 1.711 121.357 120.500 -1.423 0.000 2.855 64 R HA 0.334 4.674 4.340 -0.000 0.000 0.266 64 R C -0.719 175.385 176.300 -0.327 0.000 1.034 64 R CA -1.170 54.481 56.100 -0.747 0.000 0.944 64 R CB 1.410 31.359 30.300 -0.585 0.000 1.219 64 R HN 0.612 nan 8.270 nan 0.000 0.474 65 N N 2.031 120.707 118.700 -0.041 0.000 2.353 65 N HA -0.108 4.632 4.740 -0.000 0.000 0.248 65 N C -0.340 175.335 175.510 0.274 0.000 1.240 65 N CA 0.509 53.622 53.050 0.105 0.000 0.862 65 N CB 0.315 38.852 38.487 0.083 0.000 1.086 65 N HN 0.507 nan 8.380 nan 0.000 0.453 66 E N -0.084 120.294 120.200 0.298 0.000 3.170 66 E HA -0.236 4.114 4.350 -0.000 0.000 0.284 66 E C -0.812 176.103 176.600 0.524 0.000 0.967 66 E CA 0.939 57.580 56.400 0.402 0.000 0.919 66 E CB -1.383 28.484 29.700 0.278 0.000 1.469 66 E HN 0.380 nan 8.360 nan 0.000 0.444 67 F N 0.406 120.456 119.950 0.166 0.000 2.495 67 F HA 0.095 4.622 4.527 -0.000 0.000 0.365 67 F C 1.352 177.153 175.800 0.002 0.000 1.090 67 F CA -0.786 57.262 58.000 0.081 0.000 1.235 67 F CB 0.571 39.584 39.000 0.022 0.000 1.119 67 F HN 0.060 nan 8.300 nan 0.000 0.562 68 C N 8.367 127.641 119.300 -0.043 0.000 2.394 68 C HA 0.768 5.228 4.460 -0.000 0.000 0.362 68 C C 0.024 174.864 174.990 -0.250 0.000 1.268 68 C CA -0.529 58.223 59.018 -0.443 0.000 1.828 68 C CB -2.015 25.447 27.740 -0.463 0.000 2.442 68 C HN 0.718 nan 8.230 nan 0.000 0.549 69 I N 3.304 123.715 120.570 -0.265 0.000 3.191 69 I HA 0.565 4.735 4.170 -0.000 0.000 0.313 69 I C -1.423 174.615 176.117 -0.132 0.000 1.193 69 I CA -0.731 60.498 61.300 -0.119 0.000 0.968 69 I CB 2.030 40.032 38.000 0.004 0.000 1.262 69 I HN 0.639 nan 8.210 nan 0.000 0.456 70 Q N 3.104 122.867 119.800 -0.062 0.000 2.290 70 Q HA 0.626 4.966 4.340 -0.000 0.000 0.269 70 Q C -1.834 174.168 176.000 0.003 0.000 1.016 70 Q CA -0.718 55.053 55.803 -0.054 0.000 0.754 70 Q CB 2.485 31.184 28.738 -0.065 0.000 1.247 70 Q HN 0.785 nan 8.270 nan 0.000 0.451 71 V N 0.977 120.897 119.914 0.010 0.000 2.604 71 V HA 0.838 4.958 4.120 -0.000 0.000 0.305 71 V C -0.644 175.429 176.094 -0.036 0.000 1.043 71 V CA -0.293 62.023 62.300 0.027 0.000 0.888 71 V CB 1.656 33.517 31.823 0.063 0.000 0.995 71 V HN 0.757 nan 8.190 nan 0.000 0.429 72 T N 2.678 117.205 114.554 -0.045 0.000 2.856 72 T HA 0.952 5.302 4.350 -0.000 0.000 0.283 72 T C 0.075 174.725 174.700 -0.083 0.000 1.008 72 T CA 0.430 62.495 62.100 -0.059 0.000 0.997 72 T CB 1.104 69.945 68.868 -0.044 0.000 0.992 72 T HN 2.012 nan 8.240 nan 0.000 0.454 73 G N 1.687 110.437 108.800 -0.084 0.000 2.500 73 G HA2 0.542 4.502 3.960 -0.000 0.000 0.299 73 G HA3 0.542 4.502 3.960 -0.000 0.000 0.299 73 G C -1.219 173.639 174.900 -0.071 0.000 1.242 73 G CA -0.609 44.431 45.100 -0.100 0.000 0.859 73 G HN 0.835 nan 8.290 nan 0.000 0.481 74 T N 0.308 114.820 114.554 -0.071 0.000 2.841 74 T HA 0.568 4.918 4.350 -0.000 0.000 0.283 74 T C -0.207 174.481 174.700 -0.019 0.000 1.000 74 T CA -0.267 61.811 62.100 -0.036 0.000 0.977 74 T CB 1.835 70.685 68.868 -0.031 0.000 0.979 74 T HN 0.494 nan 8.240 nan 0.000 0.446 75 V N 5.021 124.939 119.914 0.007 0.000 2.555 75 V HA 0.546 4.666 4.120 -0.000 0.000 0.286 75 V C 0.444 176.560 176.094 0.038 0.000 1.044 75 V CA -0.180 62.138 62.300 0.030 0.000 1.026 75 V CB 0.399 32.261 31.823 0.065 0.000 0.981 75 V HN 0.881 nan 8.190 nan 0.000 0.480 76 R N 3.759 124.287 120.500 0.045 0.000 2.710 76 R HA 0.826 5.166 4.340 -0.000 0.000 0.270 76 R C -0.790 175.542 176.300 0.053 0.000 1.021 76 R CA -0.752 55.376 56.100 0.048 0.000 0.889 76 R CB 1.729 32.058 30.300 0.049 0.000 1.243 76 R HN 0.655 nan 8.270 nan 0.000 0.464 77 A N 2.172 125.020 122.820 0.046 0.000 2.407 77 A HA 0.377 4.697 4.320 -0.000 0.000 0.248 77 A C -0.240 177.370 177.584 0.043 0.000 1.082 77 A CA -0.459 51.603 52.037 0.042 0.000 0.785 77 A CB 0.298 19.317 19.000 0.032 0.000 1.020 77 A HN 0.698 nan 8.150 nan 0.000 0.489 78 R N 1.324 121.844 120.500 0.034 0.000 2.410 78 R HA 0.238 4.578 4.340 -0.000 0.000 0.288 78 R C -0.790 175.517 176.300 0.012 0.000 1.051 78 R CA -0.662 55.452 56.100 0.023 0.000 1.021 78 R CB 0.671 30.977 30.300 0.010 0.000 1.032 78 R HN 0.708 nan 8.270 nan 0.000 0.481 79 D N 2.827 123.230 120.400 0.005 0.000 2.472 79 D HA -0.084 4.556 4.640 -0.000 0.000 0.237 79 D C 1.081 177.376 176.300 -0.007 0.000 1.141 79 D CA 0.335 54.336 54.000 0.001 0.000 0.875 79 D CB 0.757 41.554 40.800 -0.005 0.000 1.192 79 D HN 0.504 nan 8.370 nan 0.000 0.450 80 E N 2.110 122.308 120.200 -0.003 0.000 2.164 80 E HA -0.288 4.062 4.350 -0.000 0.000 0.206 80 E C 1.860 178.452 176.600 -0.013 0.000 1.032 80 E CA 1.580 57.976 56.400 -0.006 0.000 0.832 80 E CB -0.075 29.622 29.700 -0.004 0.000 0.742 80 E HN 0.628 nan 8.360 nan 0.000 0.460 81 K N 0.082 120.472 120.400 -0.018 0.000 2.209 81 K HA -0.084 4.236 4.320 -0.000 0.000 0.204 81 K C 1.103 177.680 176.600 -0.038 0.000 1.048 81 K CA 1.385 57.656 56.287 -0.027 0.000 0.940 81 K CB -0.010 32.473 32.500 -0.029 0.000 0.729 81 K HN -0.035 nan 8.250 nan 0.000 0.451 82 N N 1.019 119.694 118.700 -0.042 0.000 2.214 82 N HA 0.132 4.872 4.740 -0.000 0.000 0.214 82 N C -0.393 175.092 175.510 -0.042 0.000 1.132 82 N CA -0.088 52.928 53.050 -0.058 0.000 0.856 82 N CB 0.474 38.910 38.487 -0.085 0.000 1.020 82 N HN 0.145 nan 8.380 nan 0.000 0.509 83 I N 1.686 122.241 120.570 -0.025 0.000 2.587 83 I HA -0.014 4.156 4.170 -0.000 0.000 0.284 83 I C 0.780 176.886 176.117 -0.017 0.000 1.134 83 I CA 0.104 61.396 61.300 -0.014 0.000 1.410 83 I CB -0.209 37.787 38.000 -0.006 0.000 1.392 83 I HN -0.070 nan 8.210 nan 0.000 0.545 84 N N 6.125 124.817 118.700 -0.014 0.000 2.437 84 N HA 0.115 4.855 4.740 -0.000 0.000 0.243 84 N C 0.914 176.421 175.510 -0.006 0.000 1.041 84 N CA -0.323 52.718 53.050 -0.014 0.000 0.940 84 N CB 0.707 39.186 38.487 -0.013 0.000 1.133 84 N HN 0.317 nan 8.380 nan 0.000 0.506 85 R N 1.909 122.405 120.500 -0.007 0.000 2.189 85 R HA -0.006 4.334 4.340 -0.000 0.000 0.223 85 R C 0.267 176.566 176.300 -0.001 0.000 1.092 85 R CA 1.054 57.152 56.100 -0.003 0.000 0.989 85 R CB 0.179 30.477 30.300 -0.004 0.000 0.876 85 R HN 0.558 nan 8.270 nan 0.000 0.457 86 D N -1.085 119.313 120.400 -0.003 0.000 2.339 86 D HA 0.089 4.728 4.640 -0.000 0.000 0.217 86 D C -0.211 176.090 176.300 0.002 0.000 1.050 86 D CA 0.509 54.508 54.000 -0.002 0.000 0.856 86 D CB 0.309 41.106 40.800 -0.005 0.000 0.922 86 D HN 0.090 nan 8.370 nan 0.000 0.518 87 M N 0.051 119.654 119.600 0.005 0.000 2.227 87 M HA 0.434 4.914 4.480 -0.000 0.000 0.335 87 M C 0.902 177.211 176.300 0.014 0.000 1.053 87 M CA -0.683 54.623 55.300 0.010 0.000 0.973 87 M CB 2.244 34.852 32.600 0.013 0.000 1.623 87 M HN -0.134 nan 8.290 nan 0.000 0.434 88 A N 1.534 124.364 122.820 0.015 0.000 2.024 88 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 88 A C 1.745 179.345 177.584 0.027 0.000 1.164 88 A CA 2.293 54.342 52.037 0.019 0.000 0.643 88 A CB -0.817 18.193 19.000 0.017 0.000 0.806 88 A HN 0.901 nan 8.150 nan 0.000 0.451 89 T N -4.100 110.470 114.554 0.027 0.000 3.069 89 T HA 0.309 4.659 4.350 -0.000 0.000 0.252 89 T C 1.504 176.222 174.700 0.029 0.000 1.053 89 T CA 0.683 62.801 62.100 0.031 0.000 0.964 89 T CB 0.103 68.987 68.868 0.028 0.000 1.005 89 T HN 0.387 nan 8.240 nan 0.000 0.532 90 G N 1.526 110.339 108.800 0.022 0.000 2.621 90 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.215 90 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.215 90 G C 1.192 176.102 174.900 0.016 0.000 1.127 90 G CA 0.461 45.570 45.100 0.015 0.000 0.747 90 G HN 0.630 nan 8.290 nan 0.000 0.561 91 E N -1.046 119.169 120.200 0.025 0.000 2.413 91 E HA 0.163 4.513 4.350 -0.000 0.000 0.203 91 E C 0.486 177.105 176.600 0.032 0.000 0.957 91 E CA -0.134 56.281 56.400 0.025 0.000 0.950 91 E CB 0.460 30.177 29.700 0.028 0.000 0.957 91 E HN 0.595 nan 8.360 nan 0.000 0.497 92 I N -1.017 119.578 120.570 0.041 0.000 3.067 92 I HA 0.442 4.612 4.170 -0.000 0.000 0.312 92 I C -0.480 175.667 176.117 0.049 0.000 1.073 92 I CA -1.216 60.113 61.300 0.049 0.000 1.016 92 I CB 1.636 39.671 38.000 0.060 0.000 1.227 92 I HN -0.134 nan 8.210 nan 0.000 0.456 93 E N 0.821 121.057 120.200 0.059 0.000 2.458 93 E HA 0.764 5.114 4.350 -0.000 0.000 0.278 93 E C -1.773 174.860 176.600 0.055 0.000 1.004 93 E CA -1.170 55.273 56.400 0.072 0.000 0.823 93 E CB 2.182 31.953 29.700 0.118 0.000 1.396 93 E HN 0.390 nan 8.360 nan 0.000 0.463 94 V N 1.674 121.609 119.914 0.035 0.000 2.417 94 V HA 0.221 4.341 4.120 -0.000 0.000 0.291 94 V C -0.722 175.330 176.094 -0.070 0.000 1.024 94 V CA -0.893 61.392 62.300 -0.025 0.000 0.861 94 V CB 1.332 33.115 31.823 -0.066 0.000 0.985 94 V HN 0.606 nan 8.190 nan 0.000 0.436 95 L N 6.061 127.234 121.223 -0.083 0.000 2.363 95 L HA 0.583 4.923 4.340 -0.000 0.000 0.286 95 L C 0.765 177.473 176.870 -0.270 0.000 1.106 95 L CA 0.099 54.834 54.840 -0.175 0.000 0.859 95 L CB 0.180 42.164 42.059 -0.125 0.000 1.223 95 L HN 0.771 nan 8.230 nan 0.000 0.446 96 A N 3.633 126.180 122.820 -0.455 0.000 2.498 96 A HA 0.434 4.754 4.320 -0.000 0.000 0.239 96 A C 0.978 178.378 177.584 -0.305 0.000 1.068 96 A CA 0.491 52.226 52.037 -0.503 0.000 0.766 96 A CB 0.125 18.437 19.000 -1.147 0.000 1.003 96 A HN 1.029 nan 8.150 nan 0.000 0.497 97 S N -0.135 115.458 115.700 -0.179 0.000 2.728 97 S HA 0.436 4.906 4.470 -0.000 0.000 0.257 97 S C 0.284 174.853 174.600 -0.052 0.000 1.060 97 S CA 0.564 58.698 58.200 -0.110 0.000 1.126 97 S CB -0.173 62.972 63.200 -0.091 0.000 1.099 97 S HN 1.752 nan 8.310 nan 0.000 0.617 98 S N 0.093 115.775 115.700 -0.030 0.000 2.567 98 S HA 0.747 5.217 4.470 -0.000 0.000 0.270 98 S C -1.920 172.723 174.600 0.071 0.000 1.152 98 S CA -0.554 57.656 58.200 0.017 0.000 0.835 98 S CB 1.450 64.646 63.200 -0.007 0.000 1.115 98 S HN 1.032 nan 8.310 nan 0.000 0.459 99 L N 1.504 122.779 121.223 0.087 0.000 2.710 99 L HA 0.858 5.198 4.340 -0.000 0.000 0.260 99 L C -1.808 175.090 176.870 0.046 0.000 0.993 99 L CA -0.214 54.693 54.840 0.111 0.000 0.877 99 L CB 1.973 44.181 42.059 0.248 0.000 1.461 99 L HN 0.727 nan 8.230 nan 0.000 0.413 100 T N 3.748 118.318 114.554 0.028 0.000 2.971 100 T HA 0.505 4.855 4.350 -0.000 0.000 0.304 100 T C -0.415 174.282 174.700 -0.004 0.000 1.038 100 T CA -0.243 61.858 62.100 0.001 0.000 1.007 100 T CB 1.544 70.402 68.868 -0.016 0.000 1.055 100 T HN 0.473 nan 8.240 nan 0.000 0.451 101 I N 4.292 124.862 120.570 -0.001 0.000 2.206 101 I HA 0.186 4.356 4.170 -0.000 0.000 0.292 101 I C 1.626 177.718 176.117 -0.042 0.000 1.156 101 I CA -0.192 61.113 61.300 0.009 0.000 1.356 101 I CB -0.067 37.967 38.000 0.057 0.000 1.494 101 I HN 0.731 nan 8.210 nan 0.000 0.601 102 I N 2.808 123.335 120.570 -0.071 0.000 2.185 102 I HA -0.278 3.892 4.170 -0.000 0.000 0.246 102 I C 0.942 176.997 176.117 -0.104 0.000 1.088 102 I CA 1.574 62.818 61.300 -0.093 0.000 1.347 102 I CB -0.299 37.623 38.000 -0.131 0.000 1.041 102 I HN 0.631 nan 8.210 nan 0.000 0.415 103 N N -0.224 118.393 118.700 -0.138 0.000 2.521 103 N HA 0.270 5.010 4.740 -0.000 0.000 0.269 103 N C -0.863 174.447 175.510 -0.332 0.000 1.079 103 N CA -0.513 52.434 53.050 -0.172 0.000 0.980 103 N CB 1.698 40.118 38.487 -0.112 0.000 1.667 103 N HN -0.040 nan 8.380 nan 0.000 0.498 104 R N 0.741 120.946 120.500 -0.491 0.000 2.652 104 R HA 0.783 5.123 4.340 -0.000 0.000 0.272 104 R C -0.259 175.583 176.300 -0.764 0.000 1.162 104 R CA -0.513 54.899 56.100 -1.147 0.000 1.199 104 R CB 0.530 30.292 30.300 -0.898 0.000 1.166 104 R HN 0.531 nan 8.270 nan 0.000 0.597 105 A N 1.139 123.473 122.820 -0.811 0.000 2.408 105 A HA 0.297 4.617 4.320 -0.000 0.000 0.295 105 A C -1.324 176.279 177.584 0.032 0.000 1.040 105 A CA -0.847 51.098 52.037 -0.153 0.000 0.707 105 A CB 1.235 20.286 19.000 0.084 0.000 1.235 105 A HN 0.645 nan 8.150 nan 0.000 0.418 106 D N 0.606 121.023 120.400 0.028 0.000 2.370 106 D HA 0.246 4.886 4.640 -0.000 0.000 0.235 106 D C 0.568 176.917 176.300 0.082 0.000 1.228 106 D CA 0.599 54.631 54.000 0.053 0.000 0.884 106 D CB 0.579 41.400 40.800 0.036 0.000 1.201 106 D HN 0.303 nan 8.370 nan 0.000 0.456 107 V N 2.205 122.159 119.914 0.066 0.000 2.673 107 V HA -0.043 4.077 4.120 -0.000 0.000 0.303 107 V C 0.483 176.586 176.094 0.014 0.000 1.046 107 V CA -0.345 61.986 62.300 0.053 0.000 1.126 107 V CB 0.548 32.390 31.823 0.032 0.000 0.934 107 V HN 0.332 nan 8.190 nan 0.000 0.487 108 L N 9.137 130.364 121.223 0.007 0.000 2.490 108 L HA 0.177 4.517 4.340 -0.000 0.000 0.274 108 L C -0.540 176.265 176.870 -0.108 0.000 1.201 108 L CA -0.479 54.331 54.840 -0.050 0.000 0.869 108 L CB 0.368 42.407 42.059 -0.034 0.000 1.123 108 L HN 0.504 nan 8.230 nan 0.000 0.484 109 P HA -0.089 nan 4.420 nan 0.000 0.217 109 P C 0.391 177.563 177.300 -0.214 0.000 1.154 109 P CA 0.357 63.291 63.100 -0.277 0.000 0.841 109 P CB 0.329 31.657 31.700 -0.620 0.000 0.788 110 L N 1.800 122.876 121.223 -0.245 0.000 2.410 110 L HA 0.155 4.495 4.340 -0.000 0.000 0.273 110 L C 0.172 177.015 176.870 -0.046 0.000 1.144 110 L CA -0.099 54.676 54.840 -0.107 0.000 0.863 110 L CB -0.528 41.473 42.059 -0.096 0.000 1.140 110 L HN -0.107 nan 8.230 nan 0.000 0.463 111 D N 1.874 122.274 120.400 0.000 0.000 2.351 111 D HA 0.084 4.724 4.640 -0.000 0.000 0.251 111 D C 0.148 176.483 176.300 0.059 0.000 1.137 111 D CA 0.234 54.244 54.000 0.016 0.000 0.879 111 D CB 0.989 41.781 40.800 -0.014 0.000 1.181 111 D HN 0.489 nan 8.370 nan 0.000 0.448 112 S N 3.457 119.179 115.700 0.036 0.000 2.618 112 S HA 0.168 4.638 4.470 -0.000 0.000 0.242 112 S C 0.249 174.875 174.600 0.043 0.000 0.972 112 S CA -0.447 57.774 58.200 0.036 0.000 1.004 112 S CB -0.211 63.003 63.200 0.023 0.000 0.778 112 S HN 0.502 nan 8.310 nan 0.000 0.459 113 N N 1.802 120.543 118.700 0.069 0.000 2.232 113 N HA 0.043 4.783 4.740 -0.000 0.000 0.240 113 N C -0.805 174.780 175.510 0.126 0.000 1.307 113 N CA -0.014 53.077 53.050 0.067 0.000 0.859 113 N CB 0.912 39.426 38.487 0.045 0.000 1.260 113 N HN 0.504 nan 8.380 nan 0.000 0.501 114 H N -1.091 117.975 119.070 -0.007 0.000 3.087 114 H HA 0.158 4.714 4.556 -0.000 0.000 0.348 114 H C -1.256 174.068 175.328 -0.007 0.000 1.092 114 H CA -0.295 55.749 56.048 -0.006 0.000 1.285 114 H CB 0.889 30.648 29.762 -0.005 0.000 1.875 114 H HN -0.318 nan 8.280 nan 0.000 0.512 115 V N 5.492 125.101 119.914 -0.507 0.000 2.450 115 V HA -0.067 4.052 4.120 -0.000 0.000 0.264 115 V C 1.179 176.871 176.094 -0.669 0.000 0.996 115 V CA 0.119 62.157 62.300 -0.436 0.000 1.138 115 V CB -1.176 30.484 31.823 -0.270 0.000 1.051 115 V HN 0.621 nan 8.190 nan 0.000 0.470 116 N N 3.073 121.595 118.700 -0.296 0.000 2.235 116 N HA 0.133 4.873 4.740 -0.000 0.000 0.231 116 N C 0.552 176.043 175.510 -0.033 0.000 1.330 116 N CA 0.202 53.239 53.050 -0.021 0.000 0.898 116 N CB 0.576 39.120 38.487 0.095 0.000 1.151 116 N HN 0.733 nan 8.380 nan 0.000 0.472 117 T N -2.075 112.508 114.554 0.048 0.000 2.909 117 T HA 0.140 4.490 4.350 -0.000 0.000 0.286 117 T C 1.296 176.007 174.700 0.017 0.000 1.002 117 T CA -0.782 61.334 62.100 0.026 0.000 1.074 117 T CB 1.166 70.063 68.868 0.048 0.000 0.984 117 T HN 0.558 nan 8.240 nan 0.000 0.495 118 E N 0.674 120.876 120.200 0.004 0.000 2.267 118 E HA -0.253 4.097 4.350 -0.000 0.000 0.197 118 E C 1.571 178.175 176.600 0.005 0.000 0.998 118 E CA 1.241 57.641 56.400 -0.001 0.000 0.830 118 E CB -0.077 29.620 29.700 -0.005 0.000 0.751 118 E HN 0.779 nan 8.360 nan 0.000 0.491 119 E N 0.653 120.862 120.200 0.015 0.000 2.112 119 E HA -0.019 4.331 4.350 -0.000 0.000 0.190 119 E C 1.963 178.574 176.600 0.018 0.000 0.979 119 E CA 1.241 57.649 56.400 0.013 0.000 0.814 119 E CB -0.110 29.602 29.700 0.019 0.000 0.762 119 E HN 0.406 nan 8.360 nan 0.000 0.460 120 A N 0.637 123.487 122.820 0.050 0.000 1.897 120 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 120 A C 2.060 179.706 177.584 0.104 0.000 1.181 120 A CA 1.254 53.352 52.037 0.101 0.000 0.620 120 A CB -0.339 18.740 19.000 0.132 0.000 0.821 120 A HN 0.110 nan 8.150 nan 0.000 0.443 121 R N -0.352 120.181 120.500 0.056 0.000 2.091 121 R HA -0.047 4.293 4.340 -0.000 0.000 0.238 121 R C 1.941 178.232 176.300 -0.015 0.000 1.136 121 R CA 1.498 57.612 56.100 0.024 0.000 0.959 121 R CB -0.514 29.783 30.300 -0.004 0.000 0.856 121 R HN 0.475 nan 8.270 nan 0.000 0.437 122 L N 0.583 121.793 121.223 -0.021 0.000 2.156 122 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 122 L C 2.558 179.386 176.870 -0.071 0.000 1.095 122 L CA 1.087 55.908 54.840 -0.031 0.000 0.770 122 L CB -0.281 41.770 42.059 -0.013 0.000 0.914 122 L HN 0.160 nan 8.230 nan 0.000 0.439 123 K N -0.112 120.210 120.400 -0.131 0.000 2.211 123 K HA -0.155 4.165 4.320 -0.000 0.000 0.203 123 K C 0.175 176.420 176.600 -0.591 0.000 1.050 123 K CA 1.179 57.278 56.287 -0.314 0.000 0.945 123 K CB 0.178 32.459 32.500 -0.365 0.000 0.732 123 K HN 0.190 nan 8.250 nan 0.000 0.451 124 Y N 0.055 120.240 120.300 -0.192 0.000 2.557 124 Y HA 0.242 4.791 4.550 -0.000 0.000 0.352 124 Y C 0.839 176.414 175.900 -0.541 0.000 0.918 124 Y CA -0.726 57.061 58.100 -0.520 0.000 1.232 124 Y CB 0.700 38.926 38.460 -0.389 0.000 1.235 124 Y HN -0.068 nan 8.280 nan 0.000 0.596 125 R N 0.613 120.966 120.500 -0.246 0.000 2.139 125 R HA -0.232 4.107 4.340 -0.000 0.000 0.243 125 R C 1.420 177.669 176.300 -0.085 0.000 1.145 125 R CA 2.090 58.134 56.100 -0.093 0.000 0.976 125 R CB -0.689 29.664 30.300 0.088 0.000 0.866 125 R HN 0.652 nan 8.270 nan 0.000 0.449 126 Y N -2.838 117.544 120.300 0.137 0.000 2.571 126 Y HA 0.108 4.658 4.550 -0.000 0.000 0.294 126 Y C 1.313 177.231 175.900 0.030 0.000 1.141 126 Y CA 0.065 58.224 58.100 0.099 0.000 1.308 126 Y CB -0.271 38.273 38.460 0.139 0.000 1.002 126 Y HN -0.055 nan 8.280 nan 0.000 0.551 127 L N 0.387 121.487 121.223 -0.206 0.000 2.316 127 L HA 0.071 4.411 4.340 -0.000 0.000 0.207 127 L C 1.768 178.579 176.870 -0.099 0.000 1.070 127 L CA 1.158 55.932 54.840 -0.109 0.000 0.820 127 L CB -0.792 41.181 42.059 -0.145 0.000 0.992 127 L HN 0.236 nan 8.230 nan 0.000 0.466 128 D N -0.699 119.636 120.400 -0.108 0.000 2.183 128 D HA -0.137 4.503 4.640 -0.000 0.000 0.203 128 D C 2.080 178.321 176.300 -0.097 0.000 0.969 128 D CA 0.971 54.919 54.000 -0.087 0.000 0.842 128 D CB 0.123 40.877 40.800 -0.078 0.000 0.957 128 D HN 0.265 nan 8.370 nan 0.000 0.484 129 L N -0.285 120.871 121.223 -0.113 0.000 2.465 129 L HA 0.109 4.449 4.340 -0.000 0.000 0.224 129 L C 2.225 179.018 176.870 -0.128 0.000 1.145 129 L CA 0.306 55.069 54.840 -0.128 0.000 0.834 129 L CB -0.170 41.796 42.059 -0.155 0.000 0.944 129 L HN -0.035 nan 8.230 nan 0.000 0.451 130 R N 0.160 120.579 120.500 -0.135 0.000 2.276 130 R HA 0.031 4.371 4.340 -0.000 0.000 0.203 130 R C 0.465 176.691 176.300 -0.122 0.000 1.017 130 R CA 0.105 56.098 56.100 -0.179 0.000 1.010 130 R CB -0.014 30.152 30.300 -0.224 0.000 0.900 130 R HN 0.329 nan 8.270 nan 0.000 0.469 131 R N 1.052 121.498 120.500 -0.090 0.000 2.442 131 R HA 0.029 4.369 4.340 -0.000 0.000 0.291 131 R C -1.817 174.447 176.300 -0.060 0.000 1.069 131 R CA -1.385 54.678 56.100 -0.061 0.000 1.022 131 R CB 0.333 30.599 30.300 -0.056 0.000 0.976 131 R HN -0.086 nan 8.270 nan 0.000 0.443 132 P HA -0.245 nan 4.420 nan 0.000 0.216 132 P C 0.693 177.967 177.300 -0.043 0.000 1.150 132 P CA 1.296 64.374 63.100 -0.036 0.000 0.837 132 P CB 0.168 31.859 31.700 -0.015 0.000 0.786 133 E N -1.196 118.979 120.200 -0.042 0.000 2.150 133 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 133 E C 1.732 178.297 176.600 -0.057 0.000 0.985 133 E CA 1.026 57.399 56.400 -0.045 0.000 0.814 133 E CB -0.756 28.920 29.700 -0.039 0.000 0.752 133 E HN 0.088 nan 8.360 nan 0.000 0.466 134 M N 1.382 120.944 119.600 -0.065 0.000 2.077 134 M HA 0.005 4.485 4.480 -0.000 0.000 0.261 134 M C 2.592 178.840 176.300 -0.088 0.000 1.070 134 M CA 1.688 56.940 55.300 -0.080 0.000 1.125 134 M CB -1.144 31.403 32.600 -0.089 0.000 1.339 134 M HN 0.320 nan 8.290 nan 0.000 0.409 135 A N -0.434 122.335 122.820 -0.086 0.000 2.019 135 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 135 A C 2.101 179.638 177.584 -0.078 0.000 1.164 135 A CA 1.867 53.853 52.037 -0.086 0.000 0.644 135 A CB -0.675 18.277 19.000 -0.080 0.000 0.805 135 A HN 0.529 nan 8.150 nan 0.000 0.449 136 Q N 0.103 119.860 119.800 -0.071 0.000 2.167 136 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 136 Q C 2.133 178.086 176.000 -0.079 0.000 0.970 136 Q CA 1.633 57.395 55.803 -0.070 0.000 0.855 136 Q CB -0.235 28.468 28.738 -0.059 0.000 0.911 136 Q HN 0.687 nan 8.270 nan 0.000 0.438 137 R N -0.681 119.770 120.500 -0.081 0.000 2.066 137 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 137 R C 2.000 178.245 176.300 -0.092 0.000 1.131 137 R CA 1.229 57.277 56.100 -0.087 0.000 0.955 137 R CB -0.454 29.796 30.300 -0.083 0.000 0.851 137 R HN 0.233 nan 8.270 nan 0.000 0.432 138 L N 1.583 122.750 121.223 -0.092 0.000 2.131 138 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 138 L C 2.055 178.876 176.870 -0.082 0.000 1.092 138 L CA 1.687 56.473 54.840 -0.090 0.000 0.759 138 L CB -0.435 41.563 42.059 -0.101 0.000 0.903 138 L HN 0.080 nan 8.230 nan 0.000 0.435 139 K N -1.525 118.825 120.400 -0.083 0.000 2.097 139 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 139 K C 1.938 178.484 176.600 -0.089 0.000 1.050 139 K CA 1.520 57.758 56.287 -0.081 0.000 0.938 139 K CB -0.206 32.244 32.500 -0.083 0.000 0.718 139 K HN 0.280 nan 8.250 nan 0.000 0.442 140 T N 0.810 115.305 114.554 -0.099 0.000 2.857 140 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 140 T C 1.787 176.414 174.700 -0.121 0.000 1.048 140 T CA 0.833 62.862 62.100 -0.118 0.000 1.139 140 T CB -0.056 68.733 68.868 -0.133 0.000 0.874 140 T HN 0.235 nan 8.240 nan 0.000 0.455 141 R N 0.988 121.424 120.500 -0.107 0.000 2.094 141 R HA -0.123 4.217 4.340 -0.000 0.000 0.239 141 R C 2.610 178.860 176.300 -0.084 0.000 1.137 141 R CA 1.695 57.736 56.100 -0.098 0.000 0.943 141 R CB -0.532 29.719 30.300 -0.081 0.000 0.850 141 R HN 0.374 nan 8.270 nan 0.000 0.433 142 A N 1.188 123.965 122.820 -0.070 0.000 1.978 142 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 142 A C 2.067 179.614 177.584 -0.061 0.000 1.170 142 A CA 1.317 53.321 52.037 -0.054 0.000 0.636 142 A CB -0.436 18.537 19.000 -0.045 0.000 0.810 142 A HN 0.187 nan 8.150 nan 0.000 0.448 143 K N 0.106 120.457 120.400 -0.082 0.000 2.057 143 K HA -0.061 4.259 4.320 -0.000 0.000 0.206 143 K C 1.804 178.340 176.600 -0.107 0.000 1.050 143 K CA 1.485 57.716 56.287 -0.093 0.000 0.935 143 K CB -0.455 31.976 32.500 -0.115 0.000 0.715 143 K HN 0.583 nan 8.250 nan 0.000 0.439 144 I N 0.828 121.321 120.570 -0.128 0.000 2.113 144 I HA -0.288 3.882 4.170 -0.000 0.000 0.238 144 I C 2.455 178.511 176.117 -0.101 0.000 1.070 144 I CA 1.913 63.123 61.300 -0.148 0.000 1.332 144 I CB -0.774 37.122 38.000 -0.174 0.000 1.044 144 I HN 0.269 nan 8.210 nan 0.000 0.402 145 T N -2.482 112.030 114.554 -0.069 0.000 2.929 145 T HA -0.178 4.172 4.350 -0.000 0.000 0.271 145 T C 1.959 176.658 174.700 -0.003 0.000 1.085 145 T CA 1.720 63.804 62.100 -0.027 0.000 1.125 145 T CB -0.343 68.519 68.868 -0.011 0.000 0.874 145 T HN 0.246 nan 8.240 nan 0.000 0.494 146 S N 0.248 115.938 115.700 -0.017 0.000 2.387 146 S HA 0.178 4.648 4.470 -0.000 0.000 0.226 146 S C 1.924 176.537 174.600 0.022 0.000 1.026 146 S CA 0.585 58.788 58.200 0.006 0.000 0.972 146 S CB -0.452 62.742 63.200 -0.010 0.000 0.814 146 S HN 0.589 nan 8.310 nan 0.000 0.477 147 L N 0.938 122.155 121.223 -0.010 0.000 2.109 147 L HA -0.023 4.317 4.340 -0.000 0.000 0.207 147 L C 2.394 179.316 176.870 0.086 0.000 1.086 147 L CA 0.746 55.603 54.840 0.027 0.000 0.760 147 L CB -0.624 41.364 42.059 -0.118 0.000 0.910 147 L HN 0.216 nan 8.230 nan 0.000 0.437 148 V N 0.132 120.041 119.914 -0.008 0.000 2.261 148 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 148 V C 2.631 178.709 176.094 -0.027 0.000 1.047 148 V CA 1.835 64.102 62.300 -0.056 0.000 1.015 148 V CB -0.664 31.112 31.823 -0.078 0.000 0.642 148 V HN 0.432 nan 8.190 nan 0.000 0.446 149 R N -0.324 120.193 120.500 0.029 0.000 2.081 149 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 149 R C 2.520 178.853 176.300 0.055 0.000 1.131 149 R CA 1.472 57.605 56.100 0.056 0.000 0.960 149 R CB -0.400 30.002 30.300 0.169 0.000 0.856 149 R HN 0.322 nan 8.270 nan 0.000 0.436 150 R N 0.106 120.666 120.500 0.099 0.000 2.081 150 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 150 R C 1.908 178.286 176.300 0.129 0.000 1.131 150 R CA 1.446 57.611 56.100 0.109 0.000 0.960 150 R CB -0.513 29.863 30.300 0.127 0.000 0.856 150 R HN 0.186 nan 8.270 nan 0.000 0.436 151 F N 0.027 119.971 119.950 -0.010 0.000 2.098 151 F HA -0.166 4.361 4.527 -0.000 0.000 0.294 151 F C 1.815 177.611 175.800 -0.007 0.000 1.107 151 F CA 1.372 59.368 58.000 -0.007 0.000 1.234 151 F CB -0.164 38.809 39.000 -0.046 0.000 1.002 151 F HN -0.093 nan 8.300 nan 0.000 0.472 152 M N 0.570 120.278 119.600 0.179 0.000 2.080 152 M HA -0.227 4.253 4.480 -0.000 0.000 0.260 152 M C 1.826 178.106 176.300 -0.034 0.000 1.068 152 M CA 1.630 56.808 55.300 -0.203 0.000 1.109 152 M CB -1.479 30.447 32.600 -1.124 0.000 1.342 152 M HN 0.178 nan 8.290 nan 0.000 0.405 153 D N 0.062 120.451 120.400 -0.019 0.000 2.178 153 D HA -0.150 4.490 4.640 -0.000 0.000 0.202 153 D C 1.653 177.999 176.300 0.076 0.000 0.974 153 D CA 0.951 55.024 54.000 0.120 0.000 0.841 153 D CB -0.376 40.501 40.800 0.127 0.000 0.953 153 D HN 0.370 nan 8.370 nan 0.000 0.478 154 D N 0.008 120.406 120.400 -0.002 0.000 2.264 154 D HA -0.126 4.514 4.640 -0.000 0.000 0.208 154 D C 0.590 176.723 176.300 -0.279 0.000 0.966 154 D CA 0.758 54.671 54.000 -0.144 0.000 0.864 154 D CB 0.083 40.746 40.800 -0.228 0.000 0.933 154 D HN 0.303 nan 8.370 nan 0.000 0.499 155 H N -1.574 117.449 119.070 -0.079 0.000 2.488 155 H HA 0.364 4.920 4.556 -0.000 0.000 0.294 155 H C 1.142 176.592 175.328 0.203 0.000 1.088 155 H CA 0.444 56.508 56.048 0.028 0.000 1.086 155 H CB 0.533 30.310 29.762 0.025 0.000 1.569 155 H HN 0.084 nan 8.280 nan 0.000 0.548 156 G N 0.247 109.154 108.800 0.178 0.000 2.179 156 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.257 156 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.257 156 G C -0.206 174.775 174.900 0.136 0.000 1.010 156 G CA -0.111 45.058 45.100 0.116 0.000 0.736 156 G HN 0.253 nan 8.290 nan 0.000 0.513 157 F N -0.634 119.400 119.950 0.140 0.000 2.396 157 F HA 0.637 5.164 4.527 -0.000 0.000 0.343 157 F C 0.587 176.575 175.800 0.314 0.000 1.104 157 F CA -1.092 57.041 58.000 0.221 0.000 1.161 157 F CB 1.294 40.395 39.000 0.168 0.000 1.146 157 F HN -0.068 nan 8.300 nan 0.000 0.522 158 L N 3.430 124.909 121.223 0.426 0.000 2.275 158 L HA 0.242 4.582 4.340 -0.000 0.000 0.288 158 L C -0.325 176.597 176.870 0.086 0.000 1.046 158 L CA -0.624 54.374 54.840 0.264 0.000 0.805 158 L CB 0.817 42.978 42.059 0.170 0.000 1.193 158 L HN 0.420 nan 8.230 nan 0.000 0.426 159 D N 4.907 125.251 120.400 -0.093 0.000 2.339 159 D HA 0.377 5.017 4.640 -0.000 0.000 0.241 159 D C -0.672 175.467 176.300 -0.269 0.000 1.183 159 D CA 0.064 53.751 54.000 -0.521 0.000 0.859 159 D CB 0.249 40.722 40.800 -0.545 0.000 1.067 159 D HN 0.326 nan 8.370 nan 0.000 0.484 160 I N 2.548 122.975 120.570 -0.237 0.000 2.545 160 I HA 0.275 4.445 4.170 -0.000 0.000 0.292 160 I C 0.318 176.396 176.117 -0.064 0.000 1.040 160 I CA -0.996 60.227 61.300 -0.128 0.000 1.068 160 I CB 2.151 40.075 38.000 -0.127 0.000 1.251 160 I HN 0.207 nan 8.210 nan 0.000 0.424 161 E N 3.174 123.316 120.200 -0.095 0.000 2.313 161 E HA 0.436 4.786 4.350 -0.000 0.000 0.272 161 E C -0.391 176.141 176.600 -0.113 0.000 1.038 161 E CA -0.520 55.827 56.400 -0.088 0.000 0.863 161 E CB 1.602 31.241 29.700 -0.102 0.000 1.060 161 E HN 0.668 nan 8.360 nan 0.000 0.402 162 T N -0.553 113.920 114.554 -0.135 0.000 2.924 162 T HA 0.534 4.884 4.350 -0.000 0.000 0.291 162 T C -2.587 171.912 174.700 -0.335 0.000 1.045 162 T CA -2.364 59.545 62.100 -0.319 0.000 1.015 162 T CB 1.331 70.056 68.868 -0.238 0.000 1.103 162 T HN 0.068 nan 8.240 nan 0.000 0.496 163 P HA 0.252 nan 4.420 nan 0.000 0.269 163 P C 0.470 177.683 177.300 -0.145 0.000 1.209 163 P CA -0.551 62.357 63.100 -0.320 0.000 0.776 163 P CB 0.347 31.824 31.700 -0.371 0.000 0.876 164 M N 0.994 120.541 119.600 -0.089 0.000 2.516 164 M HA 0.132 4.612 4.480 -0.000 0.000 0.259 164 M C 0.418 176.690 176.300 -0.046 0.000 1.146 164 M CA 0.748 56.037 55.300 -0.019 0.000 1.122 164 M CB -0.371 32.221 32.600 -0.014 0.000 1.341 164 M HN 0.281 nan 8.290 nan 0.000 0.478 165 L N 1.674 122.833 121.223 -0.106 0.000 2.288 165 L HA 0.245 4.585 4.340 -0.000 0.000 0.283 165 L C 0.617 177.505 176.870 0.030 0.000 1.072 165 L CA -0.460 54.299 54.840 -0.136 0.000 0.862 165 L CB 0.260 42.039 42.059 -0.466 0.000 1.245 165 L HN 0.191 nan 8.230 nan 0.000 0.432 166 T N -0.821 113.826 114.554 0.154 0.000 2.841 166 T HA 0.412 4.762 4.350 -0.000 0.000 0.276 166 T C 0.061 174.893 174.700 0.220 0.000 1.003 166 T CA -0.973 61.266 62.100 0.232 0.000 0.995 166 T CB 1.867 70.914 68.868 0.299 0.000 1.260 166 T HN 0.130 nan 8.240 nan 0.000 0.581 167 K N 0.522 121.013 120.400 0.152 0.000 2.355 167 K HA 0.489 4.809 4.320 -0.000 0.000 0.270 167 K C -0.313 176.340 176.600 0.087 0.000 1.003 167 K CA -0.185 56.151 56.287 0.081 0.000 0.957 167 K CB 0.775 33.278 32.500 0.005 0.000 0.939 167 K HN 0.852 nan 8.250 nan 0.000 0.482 168 A N 2.838 125.692 122.820 0.056 0.000 2.258 168 A HA 0.538 4.857 4.320 -0.000 0.000 0.316 168 A C 0.126 177.706 177.584 -0.006 0.000 1.279 168 A CA -0.247 51.813 52.037 0.038 0.000 0.876 168 A CB 0.492 19.514 19.000 0.037 0.000 1.170 168 A HN 0.869 nan 8.150 nan 0.000 0.520 169 T N -0.307 114.237 114.554 -0.017 0.000 2.611 169 T HA 0.816 5.166 4.350 -0.000 0.000 0.269 169 T C -3.151 171.515 174.700 -0.056 0.000 1.032 169 T CA -0.679 61.380 62.100 -0.069 0.000 1.178 169 T CB 0.859 69.648 68.868 -0.132 0.000 1.651 169 T HN 0.532 nan 8.240 nan 0.000 0.456 170 P HA 0.731 nan 4.420 nan 0.000 0.318 170 P C -0.958 176.371 177.300 0.048 0.000 1.443 170 P CA -0.442 62.642 63.100 -0.026 0.000 1.190 170 P CB 3.498 35.168 31.700 -0.050 0.000 1.641 171 E N 0.218 120.475 120.200 0.095 0.000 2.429 171 E HA 0.423 4.773 4.350 -0.000 0.000 0.141 171 E C 1.272 177.940 176.600 0.114 0.000 1.003 171 E CA -0.260 56.237 56.400 0.162 0.000 0.817 171 E CB 0.035 29.865 29.700 0.216 0.000 2.152 171 E HN 0.342 nan 8.360 nan 0.000 0.442 172 G N 0.290 109.163 108.800 0.122 0.000 2.432 172 G HA2 0.183 4.143 3.960 -0.000 0.000 0.219 172 G HA3 0.183 4.143 3.960 -0.000 0.000 0.219 172 G C 0.421 175.362 174.900 0.069 0.000 1.135 172 G CA 1.254 46.409 45.100 0.092 0.000 0.767 172 G HN 0.463 nan 8.290 nan 0.000 0.550 173 A N -1.216 121.647 122.820 0.072 0.000 3.005 173 A HA 0.873 5.193 4.320 -0.000 0.000 0.282 173 A C -0.743 176.858 177.584 0.028 0.000 1.218 173 A CA -0.680 51.384 52.037 0.044 0.000 0.703 173 A CB 0.966 19.997 19.000 0.051 0.000 1.387 173 A HN 0.043 nan 8.150 nan 0.000 0.592 174 R N 0.369 120.865 120.500 -0.006 0.000 2.832 174 R HA 0.603 4.943 4.340 -0.000 0.000 0.271 174 R C -1.555 174.707 176.300 -0.065 0.000 0.996 174 R CA -0.560 55.516 56.100 -0.040 0.000 0.977 174 R CB 0.706 30.959 30.300 -0.078 0.000 1.168 174 R HN 0.854 nan 8.270 nan 0.000 0.482 175 D N -0.382 119.984 120.400 -0.057 0.000 2.506 175 D HA 0.331 4.971 4.640 -0.000 0.000 0.254 175 D C -0.710 175.515 176.300 -0.124 0.000 1.089 175 D CA -0.526 53.456 54.000 -0.030 0.000 1.050 175 D CB 0.337 41.196 40.800 0.098 0.000 1.221 175 D HN 0.260 nan 8.370 nan 0.000 0.589 176 Y N -0.050 120.254 120.300 0.007 0.000 2.350 176 Y HA 0.309 4.859 4.550 -0.000 0.000 0.340 176 Y C 0.124 176.018 175.900 -0.010 0.000 1.006 176 Y CA -0.694 57.394 58.100 -0.020 0.000 1.166 176 Y CB 0.415 38.829 38.460 -0.077 0.000 1.168 176 Y HN 0.014 nan 8.280 nan 0.000 0.502 177 L N 3.902 125.201 121.223 0.125 0.000 2.418 177 L HA 0.502 4.842 4.340 -0.000 0.000 0.265 177 L C -0.497 176.557 176.870 0.307 0.000 1.143 177 L CA -0.918 54.018 54.840 0.159 0.000 0.809 177 L CB 0.907 42.907 42.059 -0.099 0.000 1.124 177 L HN 0.316 nan 8.230 nan 0.000 0.456 178 V N 3.161 123.327 119.914 0.419 0.000 2.357 178 V HA 0.256 4.376 4.120 -0.000 0.000 0.281 178 V C -2.158 174.102 176.094 0.276 0.000 1.015 178 V CA -1.559 60.935 62.300 0.323 0.000 0.827 178 V CB 1.481 33.446 31.823 0.236 0.000 1.018 178 V HN 0.608 nan 8.190 nan 0.000 0.432 179 P HA 0.065 nan 4.420 nan 0.000 0.267 179 P C -0.094 177.099 177.300 -0.179 0.000 1.205 179 P CA 0.515 63.361 63.100 -0.422 0.000 0.765 179 P CB 1.136 32.682 31.700 -0.257 0.000 0.828 180 S N 2.520 118.064 115.700 -0.260 0.000 2.562 180 S HA 0.207 4.677 4.470 -0.000 0.000 0.275 180 S C 1.254 175.813 174.600 -0.070 0.000 1.281 180 S CA -0.650 57.522 58.200 -0.045 0.000 1.045 180 S CB 0.498 63.648 63.200 -0.083 0.000 0.962 180 S HN 0.463 nan 8.310 nan 0.000 0.503 181 R N 2.924 123.416 120.500 -0.013 0.000 2.206 181 R HA 0.159 4.499 4.340 -0.000 0.000 0.198 181 R C 1.281 177.533 176.300 -0.081 0.000 0.986 181 R CA 0.631 56.703 56.100 -0.045 0.000 1.029 181 R CB -0.106 30.179 30.300 -0.025 0.000 0.966 181 R HN 0.607 nan 8.270 nan 0.000 0.487 182 V N 0.456 120.314 119.914 -0.094 0.000 2.788 182 V HA -0.042 4.078 4.120 -0.000 0.000 0.251 182 V C 0.446 176.222 176.094 -0.530 0.000 1.068 182 V CA 1.061 63.198 62.300 -0.271 0.000 1.090 182 V CB -0.283 31.384 31.823 -0.262 0.000 0.710 182 V HN 0.274 nan 8.190 nan 0.000 0.467 183 H N 1.002 120.026 119.070 -0.076 0.000 2.866 183 H HA 0.348 4.904 4.556 -0.000 0.000 0.287 183 H C -0.288 174.957 175.328 -0.137 0.000 1.106 183 H CA -0.600 55.386 56.048 -0.103 0.000 1.396 183 H CB 0.580 30.262 29.762 -0.134 0.000 1.469 183 H HN 0.342 nan 8.280 nan 0.000 0.500 184 K N 1.143 121.515 120.400 -0.046 0.000 2.430 184 K HA 0.085 4.405 4.320 -0.000 0.000 0.280 184 K C 1.033 177.590 176.600 -0.072 0.000 1.063 184 K CA 0.857 57.102 56.287 -0.070 0.000 1.071 184 K CB 0.390 32.861 32.500 -0.048 0.000 0.899 184 K HN 1.024 nan 8.250 nan 0.000 0.473 185 G N 2.841 111.553 108.800 -0.146 0.000 2.176 185 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.253 185 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.253 185 G C -0.192 174.648 174.900 -0.099 0.000 0.979 185 G CA -0.046 44.994 45.100 -0.099 0.000 0.641 185 G HN 0.521 nan 8.290 nan 0.000 0.530 186 K N -0.399 119.871 120.400 -0.218 0.000 2.156 186 K HA 0.749 5.069 4.320 -0.000 0.000 0.254 186 K C -0.591 175.780 176.600 -0.381 0.000 0.950 186 K CA -0.730 55.471 56.287 -0.144 0.000 0.849 186 K CB 1.134 33.543 32.500 -0.151 0.000 1.100 186 K HN 0.044 nan 8.250 nan 0.000 0.434 187 F N 0.621 120.467 119.950 -0.173 0.000 2.594 187 F HA 0.483 5.010 4.527 0.000 0.000 0.335 187 F C -0.256 175.399 175.800 -0.242 0.000 1.058 187 F CA -0.754 57.154 58.000 -0.153 0.000 0.981 187 F CB 0.789 39.768 39.000 -0.035 0.000 1.289 187 F HN 0.334 nan 8.300 nan 0.000 0.490 188 Y N -0.160 120.263 120.300 0.206 0.000 2.587 188 Y HA 0.762 5.312 4.550 -0.000 0.000 0.337 188 Y C -0.178 175.797 175.900 0.125 0.000 1.065 188 Y CA -1.374 56.792 58.100 0.110 0.000 1.126 188 Y CB 1.738 40.232 38.460 0.056 0.000 1.279 188 Y HN 0.646 nan 8.280 nan 0.000 0.489 189 A N 1.570 124.546 122.820 0.260 0.000 2.401 189 A HA 0.742 5.061 4.320 -0.000 0.000 0.310 189 A C -1.367 176.291 177.584 0.122 0.000 1.075 189 A CA -0.782 51.356 52.037 0.169 0.000 0.746 189 A CB 0.928 20.010 19.000 0.136 0.000 1.277 189 A HN 0.732 nan 8.150 nan 0.000 0.425 190 L N 2.507 123.761 121.223 0.053 0.000 2.436 190 L HA 0.345 4.685 4.340 -0.000 0.000 0.265 190 L C -1.779 175.171 176.870 0.133 0.000 1.168 190 L CA -1.754 53.041 54.840 -0.074 0.000 0.815 190 L CB 0.928 42.656 42.059 -0.552 0.000 1.109 190 L HN 0.513 nan 8.230 nan 0.000 0.462 191 P HA -0.008 nan 4.420 nan 0.000 0.270 191 P C -0.534 176.975 177.300 0.349 0.000 1.242 191 P CA -0.118 63.160 63.100 0.297 0.000 0.768 191 P CB 0.886 32.750 31.700 0.274 0.000 0.820 192 Q N 1.325 121.298 119.800 0.288 0.000 2.444 192 Q HA 0.107 4.447 4.340 -0.000 0.000 0.206 192 Q C -0.116 176.026 176.000 0.236 0.000 0.948 192 Q CA 0.634 56.610 55.803 0.287 0.000 0.946 192 Q CB 0.228 29.114 28.738 0.247 0.000 1.027 192 Q HN 0.593 nan 8.270 nan 0.000 0.513 193 S N -1.146 114.676 115.700 0.203 0.000 2.785 193 S HA 0.085 4.555 4.470 -0.000 0.000 0.286 193 S C -2.896 171.816 174.600 0.186 0.000 0.918 193 S CA -0.914 57.382 58.200 0.160 0.000 0.866 193 S CB 0.473 63.760 63.200 0.145 0.000 1.087 193 S HN -0.154 nan 8.310 nan 0.000 0.472 194 P HA 0.064 nan 4.420 nan 0.000 0.258 194 P C 1.310 178.722 177.300 0.187 0.000 1.403 194 P CA 0.022 63.271 63.100 0.249 0.000 0.826 194 P CB -0.256 31.579 31.700 0.226 0.000 1.414 195 Q N -0.646 119.221 119.800 0.112 0.000 2.082 195 Q HA -0.213 4.127 4.340 -0.000 0.000 0.211 195 Q C 1.175 177.119 176.000 -0.093 0.000 1.002 195 Q CA 1.470 57.272 55.803 -0.003 0.000 0.868 195 Q CB -1.106 27.630 28.738 -0.004 0.000 0.931 195 Q HN 0.177 nan 8.270 nan 0.000 0.414 196 L N -0.874 120.266 121.223 -0.139 0.000 2.249 196 L HA 0.104 4.444 4.340 -0.000 0.000 0.207 196 L C 2.090 178.849 176.870 -0.186 0.000 1.090 196 L CA 1.051 55.738 54.840 -0.254 0.000 0.802 196 L CB -0.717 41.190 42.059 -0.254 0.000 0.947 196 L HN 0.152 nan 8.230 nan 0.000 0.453 197 F N 0.925 120.879 119.950 0.007 0.000 2.234 197 F HA -0.182 4.345 4.527 -0.000 0.000 0.299 197 F C 2.358 178.072 175.800 -0.143 0.000 1.087 197 F CA 1.299 59.283 58.000 -0.026 0.000 1.340 197 F CB -0.611 38.378 39.000 -0.019 0.000 1.031 197 F HN 0.193 nan 8.300 nan 0.000 0.500 198 K N 0.192 120.550 120.400 -0.070 0.000 2.062 198 K HA -0.159 4.161 4.320 -0.000 0.000 0.205 198 K C 1.828 178.301 176.600 -0.212 0.000 1.051 198 K CA 1.355 57.394 56.287 -0.413 0.000 0.941 198 K CB -0.743 31.449 32.500 -0.513 0.000 0.719 198 K HN 0.291 nan 8.250 nan 0.000 0.440 199 Q N 0.668 120.413 119.800 -0.092 0.000 2.050 199 Q HA -0.122 4.217 4.340 -0.000 0.000 0.202 199 Q C 2.198 178.118 176.000 -0.133 0.000 0.980 199 Q CA 1.290 57.063 55.803 -0.050 0.000 0.840 199 Q CB -0.188 28.552 28.738 0.003 0.000 0.898 199 Q HN 0.178 nan 8.270 nan 0.000 0.424 200 L N 0.523 121.710 121.223 -0.060 0.000 2.081 200 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 200 L C 2.063 178.958 176.870 0.042 0.000 1.080 200 L CA 1.574 56.419 54.840 0.008 0.000 0.754 200 L CB -0.477 41.640 42.059 0.097 0.000 0.893 200 L HN 0.234 nan 8.230 nan 0.000 0.433 201 L N -1.855 119.394 121.223 0.044 0.000 2.275 201 L HA -0.193 4.146 4.340 -0.000 0.000 0.215 201 L C 2.268 179.239 176.870 0.170 0.000 1.119 201 L CA 0.474 55.417 54.840 0.173 0.000 0.790 201 L CB -0.406 41.696 42.059 0.072 0.000 0.919 201 L HN 0.299 nan 8.230 nan 0.000 0.443 202 M N -1.283 118.309 119.600 -0.013 0.000 2.236 202 M HA -0.097 4.383 4.480 -0.000 0.000 0.266 202 M C 2.191 178.417 176.300 -0.125 0.000 1.070 202 M CA 1.570 56.821 55.300 -0.082 0.000 1.137 202 M CB -0.690 31.762 32.600 -0.246 0.000 1.378 202 M HN 0.262 nan 8.290 nan 0.000 0.426 203 M N -0.294 119.217 119.600 -0.149 0.000 2.549 203 M HA -0.087 4.393 4.480 -0.000 0.000 0.260 203 M C 1.222 177.507 176.300 -0.025 0.000 1.076 203 M CA 0.919 56.162 55.300 -0.095 0.000 1.090 203 M CB -0.163 32.397 32.600 -0.066 0.000 1.418 203 M HN 0.094 nan 8.290 nan 0.000 0.486 204 S N -0.773 114.928 115.700 0.001 0.000 2.556 204 S HA 0.275 4.745 4.470 -0.000 0.000 0.216 204 S C 1.339 175.806 174.600 -0.223 0.000 0.970 204 S CA 0.512 58.690 58.200 -0.037 0.000 0.912 204 S CB 0.399 63.663 63.200 0.107 0.000 0.790 204 S HN 0.721 nan 8.310 nan 0.000 0.504 205 G N 1.263 109.979 108.800 -0.140 0.000 2.217 205 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.246 205 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.246 205 G C 0.043 174.836 174.900 -0.178 0.000 0.990 205 G CA -0.400 44.599 45.100 -0.168 0.000 0.627 205 G HN 0.436 nan 8.290 nan 0.000 0.522 206 F N 1.328 121.308 119.950 0.049 0.000 2.563 206 F HA 0.445 4.972 4.527 -0.000 0.000 0.363 206 F C 1.460 177.300 175.800 0.066 0.000 1.123 206 F CA 0.532 58.571 58.000 0.066 0.000 1.307 206 F CB 0.690 39.742 39.000 0.087 0.000 1.115 206 F HN 0.102 nan 8.300 nan 0.000 0.592 207 D N 0.917 121.448 120.400 0.218 0.000 2.290 207 D HA 0.076 4.716 4.640 -0.000 0.000 0.224 207 D C 0.183 176.531 176.300 0.081 0.000 0.967 207 D CA 0.922 55.006 54.000 0.141 0.000 0.893 207 D CB 0.396 41.256 40.800 0.101 0.000 1.037 207 D HN 0.416 nan 8.370 nan 0.000 0.477 208 R N -0.637 119.869 120.500 0.010 0.000 2.670 208 R HA 0.423 4.763 4.340 -0.000 0.000 0.289 208 R C -1.381 175.011 176.300 0.153 0.000 0.965 208 R CA -0.872 55.111 56.100 -0.194 0.000 0.899 208 R CB 2.062 31.816 30.300 -0.911 0.000 1.173 208 R HN 0.122 nan 8.270 nan 0.000 0.456 209 Y N 2.689 123.125 120.300 0.227 0.000 2.609 209 Y HA 0.615 5.165 4.550 -0.000 0.000 0.342 209 Y C -1.674 174.598 175.900 0.621 0.000 1.058 209 Y CA -1.191 57.118 58.100 0.347 0.000 1.055 209 Y CB 1.679 40.258 38.460 0.200 0.000 1.292 209 Y HN 0.662 nan 8.280 nan 0.000 0.476 210 Y N 0.800 120.601 120.300 -0.831 0.000 2.702 210 Y HA 0.675 5.225 4.550 -0.000 0.000 0.336 210 Y C -2.184 173.170 175.900 -0.909 0.000 1.203 210 Y CA -0.999 56.683 58.100 -0.695 0.000 1.072 210 Y CB 1.323 39.722 38.460 -0.102 0.000 1.327 210 Y HN 0.870 nan 8.280 nan 0.000 0.456 211 Q N 2.226 121.629 119.800 -0.662 0.000 2.503 211 Q HA 0.491 4.831 4.340 -0.000 0.000 0.268 211 Q C -2.035 173.879 176.000 -0.142 0.000 0.982 211 Q CA -0.667 54.823 55.803 -0.522 0.000 0.907 211 Q CB 2.487 31.046 28.738 -0.298 0.000 1.467 211 Q HN 0.856 nan 8.270 nan 0.000 0.394 212 I N 3.239 123.743 120.570 -0.111 0.000 2.310 212 I HA 0.336 4.505 4.170 -0.000 0.000 0.287 212 I C -0.450 175.640 176.117 -0.045 0.000 1.073 212 I CA -0.500 60.795 61.300 -0.007 0.000 1.216 212 I CB 1.274 39.289 38.000 0.026 0.000 1.415 212 I HN 0.213 nan 8.210 nan 0.000 0.480 213 V N 6.839 126.729 119.914 -0.040 0.000 2.823 213 V HA 0.464 4.584 4.120 -0.000 0.000 0.312 213 V C -0.205 175.801 176.094 -0.146 0.000 1.072 213 V CA -0.759 61.500 62.300 -0.068 0.000 0.937 213 V CB 2.350 34.156 31.823 -0.027 0.000 1.013 213 V HN 0.456 nan 8.190 nan 0.000 0.430 214 K N 3.123 123.412 120.400 -0.184 0.000 2.326 214 K HA 0.395 4.715 4.320 -0.000 0.000 0.275 214 K C -0.537 175.773 176.600 -0.483 0.000 1.018 214 K CA 0.112 56.172 56.287 -0.377 0.000 0.962 214 K CB 0.916 33.219 32.500 -0.328 0.000 0.953 214 K HN 0.809 nan 8.250 nan 0.000 0.475 215 C N 3.700 122.458 119.300 -0.904 0.000 2.888 215 C HA 0.700 5.160 4.460 -0.000 0.000 0.308 215 C C -0.880 173.450 174.990 -1.100 0.000 1.213 215 C CA -0.803 57.745 59.018 -0.783 0.000 1.461 215 C CB 0.378 27.630 27.740 -0.813 0.000 1.934 215 C HN 0.713 nan 8.230 nan 0.000 0.474 216 F N 2.532 122.416 119.950 -0.111 0.000 2.611 216 F HA 0.873 5.400 4.527 -0.000 0.000 0.374 216 F C 0.407 176.501 175.800 0.490 0.000 1.110 216 F CA -0.587 57.537 58.000 0.207 0.000 1.090 216 F CB 1.017 40.145 39.000 0.213 0.000 1.388 216 F HN 0.695 nan 8.300 nan 0.000 0.501 217 R N -0.247 120.719 120.500 0.777 0.000 3.513 217 R HA 0.249 4.589 4.340 -0.000 0.000 0.243 217 R C -1.932 174.586 176.300 0.363 0.000 1.033 217 R CA -0.626 55.762 56.100 0.480 0.000 1.083 217 R CB 0.668 31.197 30.300 0.381 0.000 1.246 217 R HN 0.509 nan 8.270 nan 0.000 0.526 218 D N 1.264 121.694 120.400 0.050 0.000 2.513 218 D HA 0.099 4.739 4.640 -0.000 0.000 0.222 218 D C -0.415 175.852 176.300 -0.054 0.000 1.210 218 D CA 0.021 53.930 54.000 -0.151 0.000 0.825 218 D CB 0.636 41.060 40.800 -0.626 0.000 1.037 218 D HN 0.579 nan 8.370 nan 0.000 0.506 219 E N 0.053 120.259 120.200 0.010 0.000 2.683 219 E HA 0.071 4.421 4.350 -0.000 0.000 0.266 219 E C 0.465 177.074 176.600 0.016 0.000 1.434 219 E CA -0.220 56.185 56.400 0.009 0.000 1.137 219 E CB 0.412 30.126 29.700 0.023 0.000 0.992 219 E HN -0.012 nan 8.360 nan 0.000 0.607 220 D N -0.576 119.833 120.400 0.015 0.000 2.349 220 D HA 0.059 4.699 4.640 -0.000 0.000 0.239 220 D C 0.826 177.144 176.300 0.030 0.000 1.315 220 D CA -0.127 53.885 54.000 0.020 0.000 0.937 220 D CB 0.330 41.139 40.800 0.015 0.000 1.133 220 D HN 0.238 nan 8.370 nan 0.000 0.489 221 L N 0.045 121.286 121.223 0.030 0.000 2.348 221 L HA 0.314 4.654 4.340 -0.000 0.000 0.200 221 L C 0.608 177.492 176.870 0.024 0.000 1.154 221 L CA -0.124 54.736 54.840 0.033 0.000 0.856 221 L CB -0.020 42.057 42.059 0.030 0.000 1.297 221 L HN 0.391 nan 8.230 nan 0.000 0.550 222 R N -2.315 118.198 120.500 0.023 0.000 7.319 222 R HA 0.043 4.383 4.340 -0.000 0.000 0.243 222 R C 0.110 176.420 176.300 0.016 0.000 0.863 222 R CA 0.229 56.340 56.100 0.018 0.000 1.806 222 R CB -0.099 30.208 30.300 0.012 0.000 1.152 222 R HN 0.688 nan 8.270 nan 0.000 0.894 223 A N 1.385 124.215 122.820 0.017 0.000 1.997 223 A HA -0.195 4.125 4.320 -0.000 0.000 0.221 223 A C 0.788 178.377 177.584 0.008 0.000 1.172 223 A CA 2.207 54.253 52.037 0.014 0.000 0.645 223 A CB -0.118 18.892 19.000 0.017 0.000 0.813 223 A HN 0.624 nan 8.150 nan 0.000 0.454 224 D N -1.469 118.934 120.400 0.004 0.000 2.593 224 D HA 0.223 4.863 4.640 -0.000 0.000 0.241 224 D C -0.139 176.144 176.300 -0.028 0.000 1.257 224 D CA -0.008 53.986 54.000 -0.010 0.000 0.828 224 D CB 0.327 41.122 40.800 -0.007 0.000 1.049 224 D HN 0.209 nan 8.370 nan 0.000 0.490 225 R N 1.269 121.757 120.500 -0.020 0.000 2.468 225 R HA 0.285 4.625 4.340 -0.000 0.000 0.302 225 R C -0.467 175.835 176.300 0.004 0.000 1.041 225 R CA -0.565 55.511 56.100 -0.040 0.000 0.899 225 R CB 1.741 32.014 30.300 -0.045 0.000 1.167 225 R HN 0.044 nan 8.270 nan 0.000 0.483 226 Q N 3.309 123.120 119.800 0.018 0.000 2.260 226 Q HA 0.209 4.549 4.340 -0.000 0.000 0.242 226 Q C -1.435 174.657 176.000 0.153 0.000 0.932 226 Q CA -1.742 54.110 55.803 0.081 0.000 0.891 226 Q CB 1.512 30.302 28.738 0.087 0.000 1.222 226 Q HN 0.315 nan 8.270 nan 0.000 0.453 227 P HA -0.170 nan 4.420 nan 0.000 0.225 227 P C -0.290 177.212 177.300 0.335 0.000 1.148 227 P CA 1.325 64.614 63.100 0.316 0.000 0.779 227 P CB 0.488 32.365 31.700 0.295 0.000 0.780 228 E N -0.158 120.164 120.200 0.204 0.000 2.367 228 E HA 0.576 4.926 4.350 -0.000 0.000 0.273 228 E C -0.998 175.687 176.600 0.142 0.000 0.903 228 E CA -1.064 55.313 56.400 -0.039 0.000 0.764 228 E CB 1.866 31.361 29.700 -0.343 0.000 1.252 228 E HN -0.009 nan 8.360 nan 0.000 0.446 229 F N -1.870 117.921 119.950 -0.266 0.000 2.741 229 F HA 0.578 5.105 4.527 0.000 0.000 0.311 229 F C -1.264 174.451 175.800 -0.142 0.000 1.149 229 F CA -1.040 56.874 58.000 -0.144 0.000 0.930 229 F CB 1.156 40.112 39.000 -0.072 0.000 1.312 229 F HN 0.305 nan 8.300 nan 0.000 0.450 230 T N 1.498 116.041 114.554 -0.019 0.000 2.902 230 T HA 0.632 4.982 4.350 -0.000 0.000 0.283 230 T C -0.932 173.795 174.700 0.044 0.000 1.009 230 T CA -0.681 61.368 62.100 -0.085 0.000 1.051 230 T CB 1.620 70.467 68.868 -0.035 0.000 0.999 230 T HN 0.609 nan 8.240 nan 0.000 0.474 231 Q N 1.046 120.851 119.800 0.009 0.000 2.389 231 Q HA 0.488 4.828 4.340 -0.000 0.000 0.277 231 Q C -1.003 175.072 176.000 0.126 0.000 1.082 231 Q CA -0.769 55.105 55.803 0.118 0.000 0.810 231 Q CB 2.703 31.519 28.738 0.130 0.000 1.374 231 Q HN 0.581 nan 8.270 nan 0.000 0.422 232 I N 1.924 122.619 120.570 0.209 0.000 2.282 232 I HA 0.109 4.279 4.170 -0.000 0.000 0.290 232 I C -0.397 175.875 176.117 0.258 0.000 1.090 232 I CA -0.348 61.093 61.300 0.235 0.000 1.231 232 I CB 0.420 38.593 38.000 0.287 0.000 1.434 232 I HN 0.444 nan 8.210 nan 0.000 0.487 233 D N 6.020 126.542 120.400 0.204 0.000 2.317 233 D HA 0.377 5.017 4.640 -0.000 0.000 0.252 233 D C -0.728 175.764 176.300 0.321 0.000 1.174 233 D CA 0.141 54.294 54.000 0.256 0.000 0.866 233 D CB 1.143 42.112 40.800 0.283 0.000 1.127 233 D HN 0.086 nan 8.370 nan 0.000 0.467 234 V N 3.076 123.210 119.914 0.366 0.000 2.735 234 V HA 0.641 4.761 4.120 -0.000 0.000 0.310 234 V C -0.354 176.049 176.094 0.516 0.000 1.061 234 V CA -0.826 61.741 62.300 0.445 0.000 0.913 234 V CB 1.955 33.958 31.823 0.300 0.000 1.005 234 V HN 0.530 nan 8.190 nan 0.000 0.428 235 E N 1.692 122.291 120.200 0.666 0.000 2.335 235 E HA 0.726 5.076 4.350 -0.000 0.000 0.280 235 E C -0.856 176.005 176.600 0.436 0.000 0.918 235 E CA -0.309 56.375 56.400 0.472 0.000 0.765 235 E CB 2.356 32.239 29.700 0.305 0.000 1.218 235 E HN 0.963 nan 8.360 nan 0.000 0.425 236 T N -0.412 114.322 114.554 0.300 0.000 2.865 236 T HA 0.845 5.195 4.350 -0.000 0.000 0.294 236 T C -0.683 174.089 174.700 0.122 0.000 1.119 236 T CA -0.857 61.355 62.100 0.187 0.000 1.007 236 T CB 1.571 70.553 68.868 0.189 0.000 1.225 236 T HN 0.195 nan 8.240 nan 0.000 0.515 237 S N 0.115 115.851 115.700 0.060 0.000 2.536 237 S HA 0.679 5.149 4.470 -0.000 0.000 0.298 237 S C -0.932 173.675 174.600 0.011 0.000 1.083 237 S CA -0.760 57.380 58.200 -0.100 0.000 0.995 237 S CB 0.456 63.520 63.200 -0.226 0.000 1.058 237 S HN 0.862 nan 8.310 nan 0.000 0.488 238 F N -0.710 119.248 119.950 0.012 0.000 3.043 238 F HA -0.185 4.342 4.527 -0.000 0.000 0.290 238 F C 0.048 175.842 175.800 -0.009 0.000 0.844 238 F CA 0.426 58.416 58.000 -0.016 0.000 1.184 238 F CB -1.782 37.206 39.000 -0.019 0.000 1.246 238 F HN 0.449 nan 8.300 nan 0.000 0.536 239 M N -0.338 119.325 119.600 0.106 0.000 2.530 239 M HA 0.473 4.953 4.480 -0.000 0.000 0.307 239 M C 0.481 176.796 176.300 0.024 0.000 1.161 239 M CA -0.532 54.812 55.300 0.073 0.000 0.903 239 M CB 2.588 35.239 32.600 0.085 0.000 1.711 239 M HN 0.135 nan 8.290 nan 0.000 0.451 240 T N -1.042 113.510 114.554 -0.004 0.000 2.881 240 T HA 0.568 4.918 4.350 -0.000 0.000 0.278 240 T C 1.116 175.759 174.700 -0.096 0.000 0.982 240 T CA -0.242 61.834 62.100 -0.040 0.000 0.989 240 T CB 1.349 70.189 68.868 -0.046 0.000 1.058 240 T HN 0.718 nan 8.240 nan 0.000 0.529 241 A N 1.209 123.947 122.820 -0.138 0.000 1.873 241 A HA 0.045 4.365 4.320 -0.000 0.000 0.218 241 A C -0.157 177.145 177.584 -0.470 0.000 1.193 241 A CA 1.451 53.292 52.037 -0.327 0.000 0.629 241 A CB -2.105 16.730 19.000 -0.274 0.000 0.826 241 A HN 0.743 nan 8.150 nan 0.000 0.447 242 P HA -0.169 nan 4.420 nan 0.000 0.216 242 P C 1.488 178.629 177.300 -0.266 0.000 1.150 242 P CA 1.454 64.357 63.100 -0.329 0.000 0.837 242 P CB -0.106 31.474 31.700 -0.200 0.000 0.786 243 Q N -0.854 118.844 119.800 -0.171 0.000 2.079 243 Q HA -0.100 4.240 4.340 -0.000 0.000 0.200 243 Q C 2.070 178.023 176.000 -0.078 0.000 0.974 243 Q CA 1.291 57.042 55.803 -0.087 0.000 0.840 243 Q CB -0.720 28.002 28.738 -0.027 0.000 0.898 243 Q HN 0.134 nan 8.270 nan 0.000 0.430 244 V N 0.941 120.779 119.914 -0.126 0.000 2.237 244 V HA -0.298 3.822 4.120 -0.000 0.000 0.245 244 V C 2.214 178.222 176.094 -0.145 0.000 1.046 244 V CA 1.924 64.183 62.300 -0.069 0.000 1.007 244 V CB -0.636 31.135 31.823 -0.087 0.000 0.638 244 V HN 0.305 nan 8.190 nan 0.000 0.445 245 R N -0.241 119.969 120.500 -0.483 0.000 2.134 245 R HA -0.298 4.042 4.340 -0.000 0.000 0.248 245 R C 2.410 178.650 176.300 -0.100 0.000 1.143 245 R CA 2.342 58.048 56.100 -0.657 0.000 0.957 245 R CB -0.492 28.929 30.300 -1.464 0.000 0.867 245 R HN 0.704 nan 8.270 nan 0.000 0.441 246 E N 0.269 120.387 120.200 -0.137 0.000 2.033 246 E HA -0.225 4.125 4.350 -0.000 0.000 0.199 246 E C 1.947 178.575 176.600 0.045 0.000 1.011 246 E CA 1.758 58.141 56.400 -0.029 0.000 0.815 246 E CB -0.141 29.536 29.700 -0.038 0.000 0.755 246 E HN 0.196 nan 8.360 nan 0.000 0.451 247 V N 0.642 120.597 119.914 0.069 0.000 2.407 247 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 247 V C 2.175 178.339 176.094 0.118 0.000 1.055 247 V CA 1.732 64.094 62.300 0.104 0.000 1.049 247 V CB -0.232 31.688 31.823 0.161 0.000 0.662 247 V HN 0.400 nan 8.190 nan 0.000 0.455 248 M N -0.635 119.070 119.600 0.175 0.000 2.319 248 M HA -0.069 4.411 4.480 -0.000 0.000 0.265 248 M C 2.066 178.498 176.300 0.221 0.000 1.068 248 M CA 1.787 57.247 55.300 0.267 0.000 1.118 248 M CB -1.054 31.820 32.600 0.457 0.000 1.395 248 M HN 0.579 nan 8.290 nan 0.000 0.435 249 E N 0.459 120.762 120.200 0.171 0.000 2.107 249 E HA -0.062 4.288 4.350 -0.000 0.000 0.191 249 E C 1.960 178.425 176.600 -0.225 0.000 0.982 249 E CA 1.030 57.310 56.400 -0.200 0.000 0.809 249 E CB 0.159 29.681 29.700 -0.296 0.000 0.756 249 E HN 0.389 nan 8.360 nan 0.000 0.459 250 A N 1.699 124.480 122.820 -0.065 0.000 1.969 250 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 250 A C 2.150 179.690 177.584 -0.074 0.000 1.169 250 A CA 0.865 52.916 52.037 0.024 0.000 0.635 250 A CB -0.560 18.545 19.000 0.175 0.000 0.810 250 A HN 0.433 nan 8.150 nan 0.000 0.445 251 L N 0.165 121.140 121.223 -0.414 0.000 2.005 251 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 251 L C 2.365 179.002 176.870 -0.388 0.000 1.072 251 L CA 2.138 56.392 54.840 -0.977 0.000 0.744 251 L CB -1.012 40.426 42.059 -1.035 0.000 0.895 251 L HN 0.242 nan 8.230 nan 0.000 0.433 252 V N 0.618 120.400 119.914 -0.219 0.000 2.407 252 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 252 V C 2.805 178.963 176.094 0.107 0.000 1.055 252 V CA 1.670 63.937 62.300 -0.054 0.000 1.049 252 V CB -0.599 31.219 31.823 -0.007 0.000 0.662 252 V HN 0.467 nan 8.190 nan 0.000 0.455 253 R N -0.886 119.648 120.500 0.058 0.000 2.096 253 R HA -0.184 4.156 4.340 -0.000 0.000 0.235 253 R C 2.344 178.743 176.300 0.165 0.000 1.127 253 R CA 1.647 57.821 56.100 0.123 0.000 0.968 253 R CB -0.491 29.848 30.300 0.066 0.000 0.861 253 R HN 0.623 nan 8.270 nan 0.000 0.440 254 H N 1.144 120.220 119.070 0.009 0.000 2.319 254 H HA -0.080 4.476 4.556 -0.000 0.000 0.299 254 H C 1.818 177.142 175.328 -0.006 0.000 1.092 254 H CA 1.771 57.831 56.048 0.021 0.000 1.302 254 H CB -0.260 29.510 29.762 0.013 0.000 1.373 254 H HN 0.060 nan 8.280 nan 0.000 0.497 255 L N -1.295 119.887 121.223 -0.068 0.000 2.046 255 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 255 L C 2.441 179.188 176.870 -0.205 0.000 1.077 255 L CA 1.052 55.769 54.840 -0.205 0.000 0.747 255 L CB -0.546 41.408 42.059 -0.175 0.000 0.896 255 L HN 0.447 nan 8.230 nan 0.000 0.432 256 W N -0.088 121.065 121.300 -0.244 0.000 2.519 256 W HA -0.086 4.574 4.660 -0.000 0.000 0.266 256 W C 2.268 178.659 176.519 -0.214 0.000 1.253 256 W CA 0.859 58.030 57.345 -0.291 0.000 1.274 256 W CB 0.199 29.456 29.460 -0.338 0.000 1.114 256 W HN 0.225 nan 8.180 nan 0.000 0.596 257 L N 0.012 121.252 121.223 0.029 0.000 2.162 257 L HA -0.116 4.224 4.340 -0.000 0.000 0.205 257 L C 2.344 179.173 176.870 -0.070 0.000 1.086 257 L CA 1.235 56.080 54.840 0.007 0.000 0.778 257 L CB -0.220 41.876 42.059 0.061 0.000 0.928 257 L HN -0.225 nan 8.230 nan 0.000 0.446 258 E N -0.669 119.436 120.200 -0.158 0.000 2.086 258 E HA -0.095 4.255 4.350 -0.000 0.000 0.190 258 E C 2.180 178.661 176.600 -0.198 0.000 0.975 258 E CA 0.912 57.197 56.400 -0.192 0.000 0.813 258 E CB 0.092 29.596 29.700 -0.325 0.000 0.768 258 E HN 0.304 nan 8.360 nan 0.000 0.457 259 V N 1.494 121.248 119.914 -0.266 0.000 2.346 259 V HA -0.118 4.002 4.120 -0.000 0.000 0.244 259 V C 1.960 177.896 176.094 -0.263 0.000 1.037 259 V CA 1.368 63.495 62.300 -0.288 0.000 1.029 259 V CB -0.098 31.481 31.823 -0.407 0.000 0.663 259 V HN 0.066 nan 8.190 nan 0.000 0.454 260 K N -0.539 119.675 120.400 -0.310 0.000 2.354 260 K HA 0.294 4.614 4.320 -0.000 0.000 0.194 260 K C 1.454 177.998 176.600 -0.093 0.000 1.045 260 K CA 0.816 56.970 56.287 -0.220 0.000 1.026 260 K CB 0.484 32.777 32.500 -0.345 0.000 0.866 260 K HN 0.513 nan 8.250 nan 0.000 0.530 261 G N 2.133 110.884 108.800 -0.081 0.000 2.147 261 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.244 261 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.244 261 G C 0.190 175.106 174.900 0.028 0.000 1.005 261 G CA 0.522 45.611 45.100 -0.018 0.000 0.713 261 G HN 0.264 nan 8.290 nan 0.000 0.515 262 V N -2.507 117.431 119.914 0.039 0.000 2.850 262 V HA 0.879 4.999 4.120 -0.000 0.000 0.315 262 V C -0.431 175.718 176.094 0.093 0.000 1.064 262 V CA -0.752 61.605 62.300 0.094 0.000 0.979 262 V CB 2.308 34.214 31.823 0.138 0.000 1.039 262 V HN 0.192 nan 8.190 nan 0.000 0.452 263 D N 2.278 122.734 120.400 0.094 0.000 2.440 263 D HA 0.419 5.059 4.640 -0.000 0.000 0.239 263 D C 0.684 177.031 176.300 0.078 0.000 1.084 263 D CA -0.316 53.736 54.000 0.087 0.000 0.843 263 D CB 1.492 42.340 40.800 0.079 0.000 1.097 263 D HN 0.588 nan 8.370 nan 0.000 0.531 264 L N 3.003 124.262 121.223 0.060 0.000 2.109 264 L HA 0.212 4.552 4.340 -0.000 0.000 0.207 264 L C 1.635 178.568 176.870 0.105 0.000 1.086 264 L CA 0.827 55.680 54.840 0.022 0.000 0.760 264 L CB -0.762 41.257 42.059 -0.066 0.000 0.910 264 L HN 0.714 nan 8.230 nan 0.000 0.437 265 G N 0.007 108.897 108.800 0.150 0.000 2.681 265 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.220 265 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.220 265 G C -0.802 174.238 174.900 0.233 0.000 1.353 265 G CA -0.429 44.761 45.100 0.149 0.000 0.872 265 G HN 0.248 nan 8.290 nan 0.000 0.557 266 D N 0.155 120.665 120.400 0.183 0.000 2.425 266 D HA 0.442 5.082 4.640 -0.000 0.000 0.247 266 D C 0.464 176.989 176.300 0.376 0.000 1.147 266 D CA 0.459 54.586 54.000 0.212 0.000 0.879 266 D CB 0.148 41.032 40.800 0.140 0.000 1.179 266 D HN 0.302 nan 8.370 nan 0.000 0.456 267 F N 3.379 123.385 119.950 0.093 0.000 2.438 267 F HA 0.272 4.799 4.527 0.000 0.000 0.356 267 F C -1.556 174.330 175.800 0.143 0.000 1.099 267 F CA -3.017 55.031 58.000 0.080 0.000 1.185 267 F CB 0.031 39.071 39.000 0.067 0.000 1.115 267 F HN 0.189 nan 8.300 nan 0.000 0.526 268 P HA 0.164 nan 4.420 nan 0.000 0.270 268 P C -0.943 176.517 177.300 0.267 0.000 1.227 268 P CA -0.055 63.156 63.100 0.186 0.000 0.788 268 P CB 0.698 32.456 31.700 0.096 0.000 0.926 269 V N 2.427 122.472 119.914 0.217 0.000 2.623 269 V HA 0.589 4.709 4.120 -0.000 0.000 0.304 269 V C -0.009 176.181 176.094 0.159 0.000 1.054 269 V CA -0.405 62.038 62.300 0.238 0.000 0.882 269 V CB 1.349 33.288 31.823 0.192 0.000 1.002 269 V HN 0.579 nan 8.190 nan 0.000 0.424 270 M N 2.389 122.087 119.600 0.164 0.000 2.618 270 M HA 0.786 5.266 4.480 -0.000 0.000 0.281 270 M C -0.334 176.026 176.300 0.100 0.000 1.267 270 M CA -0.567 54.801 55.300 0.113 0.000 0.845 270 M CB 2.424 35.094 32.600 0.116 0.000 1.732 270 M HN 0.550 nan 8.290 nan 0.000 0.461 271 T N -1.555 113.034 114.554 0.059 0.000 2.874 271 T HA 0.371 4.721 4.350 -0.000 0.000 0.281 271 T C 0.539 175.239 174.700 -0.001 0.000 0.994 271 T CA -0.549 61.577 62.100 0.044 0.000 1.015 271 T CB 1.043 69.935 68.868 0.039 0.000 1.028 271 T HN 0.670 nan 8.240 nan 0.000 0.523 272 F N 1.617 121.419 119.950 -0.248 0.000 2.120 272 F HA -0.082 4.445 4.527 -0.000 0.000 0.300 272 F C 2.505 178.197 175.800 -0.180 0.000 1.095 272 F CA 2.048 59.819 58.000 -0.381 0.000 1.249 272 F CB -0.945 37.717 39.000 -0.563 0.000 0.995 272 F HN 0.760 nan 8.300 nan 0.000 0.480 273 A N 0.315 123.148 122.820 0.023 0.000 1.883 273 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 273 A C 2.105 179.625 177.584 -0.108 0.000 1.186 273 A CA 1.975 53.991 52.037 -0.034 0.000 0.624 273 A CB -0.959 18.064 19.000 0.039 0.000 0.822 273 A HN 0.609 nan 8.150 nan 0.000 0.444 274 E N -0.050 120.109 120.200 -0.069 0.000 2.106 274 E HA -0.065 4.285 4.350 -0.000 0.000 0.192 274 E C 2.284 178.829 176.600 -0.092 0.000 0.984 274 E CA 0.841 57.199 56.400 -0.070 0.000 0.806 274 E CB -0.351 29.337 29.700 -0.020 0.000 0.750 274 E HN 0.606 nan 8.360 nan 0.000 0.458 275 A N 2.059 124.836 122.820 -0.071 0.000 1.883 275 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 275 A C 2.082 179.603 177.584 -0.105 0.000 1.186 275 A CA 1.351 53.391 52.037 0.006 0.000 0.624 275 A CB -0.294 18.669 19.000 -0.062 0.000 0.822 275 A HN 0.073 nan 8.150 nan 0.000 0.444 276 E N -0.601 119.428 120.200 -0.286 0.000 2.106 276 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 276 E C 2.202 178.687 176.600 -0.191 0.000 0.984 276 E CA 0.955 57.187 56.400 -0.280 0.000 0.806 276 E CB -0.320 29.144 29.700 -0.393 0.000 0.750 276 E HN 0.657 nan 8.360 nan 0.000 0.458 277 R N 0.898 121.288 120.500 -0.184 0.000 2.062 277 R HA -0.041 4.299 4.340 -0.000 0.000 0.231 277 R C 2.274 178.432 176.300 -0.238 0.000 1.136 277 R CA 1.183 57.182 56.100 -0.167 0.000 0.948 277 R CB 0.077 30.296 30.300 -0.135 0.000 0.845 277 R HN 0.011 nan 8.270 nan 0.000 0.430 278 R N -1.405 118.876 120.500 -0.364 0.000 2.161 278 R HA -0.047 4.293 4.340 -0.000 0.000 0.213 278 R C 0.733 176.467 176.300 -0.943 0.000 1.055 278 R CA 1.017 56.704 56.100 -0.688 0.000 0.996 278 R CB 0.286 30.020 30.300 -0.943 0.000 0.901 278 R HN 0.335 nan 8.270 nan 0.000 0.456 279 Y N -1.465 118.772 120.300 -0.105 0.000 2.626 279 Y HA 0.327 4.877 4.550 -0.000 0.000 0.248 279 Y C 1.120 176.945 175.900 -0.125 0.000 1.147 279 Y CA -0.194 57.840 58.100 -0.109 0.000 1.219 279 Y CB 0.816 39.213 38.460 -0.105 0.000 1.279 279 Y HN 0.101 nan 8.280 nan 0.000 0.541 280 G N 1.175 109.935 108.800 -0.066 0.000 2.321 280 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.287 280 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.287 280 G C 0.140 174.990 174.900 -0.083 0.000 1.018 280 G CA 1.026 46.072 45.100 -0.089 0.000 0.855 280 G HN 0.410 nan 8.290 nan 0.000 0.507 281 S N -1.107 114.549 115.700 -0.074 0.000 2.570 281 S HA 0.537 5.007 4.470 -0.000 0.000 0.270 281 S C 0.200 174.730 174.600 -0.117 0.000 1.149 281 S CA 0.226 58.382 58.200 -0.073 0.000 0.837 281 S CB 1.351 64.531 63.200 -0.033 0.000 1.124 281 S HN 0.431 nan 8.310 nan 0.000 0.465 282 D N 1.345 121.709 120.400 -0.060 0.000 2.363 282 D HA 0.126 4.766 4.640 -0.000 0.000 0.214 282 D C 0.231 176.616 176.300 0.141 0.000 1.093 282 D CA -0.099 53.907 54.000 0.009 0.000 0.837 282 D CB -0.096 40.862 40.800 0.264 0.000 0.948 282 D HN 0.613 nan 8.370 nan 0.000 0.507 283 K N 0.182 120.616 120.400 0.057 0.000 3.394 283 K HA 0.277 4.597 4.320 -0.000 0.000 0.175 283 K C -2.891 173.669 176.600 -0.066 0.000 1.047 283 K CA -1.150 55.160 56.287 0.038 0.000 0.814 283 K CB 0.793 33.328 32.500 0.058 0.000 0.803 283 K HN -0.183 nan 8.250 nan 0.000 0.522 284 P HA -0.122 nan 4.420 nan 0.000 0.263 284 P C -0.820 176.299 177.300 -0.301 0.000 1.175 284 P CA 0.395 63.347 63.100 -0.248 0.000 0.761 284 P CB 0.648 32.088 31.700 -0.433 0.000 0.794 285 D N 3.457 123.680 120.400 -0.295 0.000 2.456 285 D HA 0.110 4.750 4.640 -0.000 0.000 0.219 285 D C 0.636 176.753 176.300 -0.304 0.000 1.126 285 D CA -0.462 53.378 54.000 -0.266 0.000 0.890 285 D CB 0.049 40.716 40.800 -0.221 0.000 1.025 285 D HN 0.028 nan 8.370 nan 0.000 0.511 286 L N 3.761 124.794 121.223 -0.317 0.000 2.675 286 L HA 0.159 4.499 4.340 -0.000 0.000 0.239 286 L C 2.108 178.868 176.870 -0.183 0.000 1.151 286 L CA 0.486 55.147 54.840 -0.298 0.000 0.905 286 L CB -0.476 41.411 42.059 -0.286 0.000 1.057 286 L HN 0.298 nan 8.230 nan 0.000 0.435 287 R N -0.890 119.509 120.500 -0.167 0.000 2.200 287 R HA 0.027 4.366 4.340 -0.000 0.000 0.208 287 R C 0.723 176.959 176.300 -0.107 0.000 1.033 287 R CA 0.046 56.067 56.100 -0.133 0.000 1.000 287 R CB 0.009 30.220 30.300 -0.147 0.000 0.906 287 R HN 0.245 nan 8.270 nan 0.000 0.462 288 N N 1.660 120.294 118.700 -0.109 0.000 2.422 288 N HA 0.038 4.778 4.740 -0.000 0.000 0.264 288 N C -1.731 173.757 175.510 -0.036 0.000 1.063 288 N CA -1.888 51.118 53.050 -0.072 0.000 0.959 288 N CB 1.505 39.949 38.487 -0.071 0.000 1.087 288 N HN -0.092 nan 8.380 nan 0.000 0.483 289 P HA -0.067 nan 4.420 nan 0.000 0.222 289 P C 0.505 177.825 177.300 0.034 0.000 1.153 289 P CA 0.878 63.982 63.100 0.006 0.000 0.798 289 P CB 0.417 32.111 31.700 -0.010 0.000 0.796 290 M N 0.541 120.154 119.600 0.022 0.000 2.207 290 M HA 0.164 4.644 4.480 -0.000 0.000 0.311 290 M C 0.803 177.137 176.300 0.058 0.000 1.127 290 M CA 0.739 56.048 55.300 0.015 0.000 1.181 290 M CB 0.154 32.746 32.600 -0.013 0.000 1.409 290 M HN -0.013 nan 8.290 nan 0.000 0.461 291 E N 0.496 120.681 120.200 -0.025 0.000 2.407 291 E HA 0.567 4.917 4.350 -0.000 0.000 0.279 291 E C -1.845 174.658 176.600 -0.163 0.000 1.012 291 E CA -0.937 55.382 56.400 -0.134 0.000 0.800 291 E CB 1.133 30.681 29.700 -0.253 0.000 1.276 291 E HN 0.572 nan 8.360 nan 0.000 0.452 292 L N 0.769 121.860 121.223 -0.221 0.000 2.399 292 L HA 0.519 4.858 4.340 -0.000 0.000 0.266 292 L C -0.158 176.615 176.870 -0.161 0.000 1.114 292 L CA -0.631 54.110 54.840 -0.165 0.000 0.804 292 L CB 1.321 43.290 42.059 -0.150 0.000 1.146 292 L HN 0.567 nan 8.230 nan 0.000 0.451 293 T N 0.194 114.678 114.554 -0.116 0.000 2.847 293 T HA 0.204 4.554 4.350 -0.000 0.000 0.291 293 T C -0.699 173.965 174.700 -0.061 0.000 0.998 293 T CA -0.678 61.367 62.100 -0.092 0.000 0.967 293 T CB 1.031 69.854 68.868 -0.075 0.000 0.954 293 T HN 0.396 nan 8.240 nan 0.000 0.441 294 D N 2.439 122.803 120.400 -0.061 0.000 2.425 294 D HA 0.171 4.811 4.640 -0.000 0.000 0.247 294 D C 1.099 177.382 176.300 -0.029 0.000 1.147 294 D CA 0.167 54.142 54.000 -0.041 0.000 0.879 294 D CB 1.343 42.117 40.800 -0.044 0.000 1.179 294 D HN 0.456 nan 8.370 nan 0.000 0.456 295 V N -0.213 119.689 119.914 -0.021 0.000 3.199 295 V HA 0.343 4.463 4.120 -0.000 0.000 0.331 295 V C 1.464 177.523 176.094 -0.059 0.000 1.446 295 V CA 0.167 62.452 62.300 -0.025 0.000 1.120 295 V CB 0.257 32.089 31.823 0.016 0.000 1.051 295 V HN 0.454 nan 8.190 nan 0.000 0.495 296 A N 2.785 125.574 122.820 -0.051 0.000 1.849 296 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 296 A C 2.025 179.583 177.584 -0.042 0.000 1.202 296 A CA 2.452 54.457 52.037 -0.053 0.000 0.629 296 A CB -0.917 18.064 19.000 -0.032 0.000 0.834 296 A HN 0.791 nan 8.150 nan 0.000 0.447 297 D N -0.459 119.924 120.400 -0.029 0.000 2.322 297 D HA -0.178 4.462 4.640 -0.000 0.000 0.210 297 D C 1.491 177.778 176.300 -0.022 0.000 0.983 297 D CA 1.320 55.307 54.000 -0.021 0.000 0.902 297 D CB -0.314 40.476 40.800 -0.017 0.000 0.905 297 D HN 0.314 nan 8.370 nan 0.000 0.483 298 L N -0.429 120.775 121.223 -0.033 0.000 2.341 298 L HA 0.132 4.472 4.340 -0.000 0.000 0.214 298 L C 2.032 178.880 176.870 -0.036 0.000 1.115 298 L CA 0.885 55.706 54.840 -0.032 0.000 0.820 298 L CB -0.102 41.934 42.059 -0.038 0.000 0.944 298 L HN 0.066 nan 8.230 nan 0.000 0.452 299 L N -2.252 118.941 121.223 -0.049 0.000 3.016 299 L HA 0.147 4.487 4.340 -0.000 0.000 0.267 299 L C 1.723 178.598 176.870 0.009 0.000 1.182 299 L CA -0.063 54.759 54.840 -0.029 0.000 0.997 299 L CB 0.003 41.999 42.059 -0.105 0.000 1.354 299 L HN -0.022 nan 8.230 nan 0.000 0.569 300 K N 0.025 120.426 120.400 0.001 0.000 2.286 300 K HA -0.119 4.200 4.320 -0.000 0.000 0.203 300 K C 1.920 178.533 176.600 0.021 0.000 1.045 300 K CA 1.362 57.655 56.287 0.009 0.000 0.935 300 K CB -0.016 32.485 32.500 0.002 0.000 0.737 300 K HN 0.244 nan 8.250 nan 0.000 0.460 301 S N 0.759 116.476 115.700 0.027 0.000 2.341 301 S HA -0.041 4.429 4.470 -0.000 0.000 0.216 301 S C 0.886 175.518 174.600 0.053 0.000 1.034 301 S CA 0.464 58.684 58.200 0.034 0.000 0.964 301 S CB -0.333 62.885 63.200 0.030 0.000 0.882 301 S HN 0.323 nan 8.310 nan 0.000 0.469 302 V N 3.336 123.297 119.914 0.080 0.000 2.960 302 V HA -0.110 4.010 4.120 -0.000 0.000 0.282 302 V C 1.181 177.344 176.094 0.115 0.000 1.420 302 V CA 0.262 62.635 62.300 0.123 0.000 1.448 302 V CB 0.270 32.218 31.823 0.209 0.000 0.886 302 V HN 0.467 nan 8.190 nan 0.000 0.522 303 E N 3.945 124.212 120.200 0.112 0.000 2.274 303 E HA -0.082 4.268 4.350 -0.000 0.000 0.194 303 E C 0.904 177.570 176.600 0.109 0.000 0.996 303 E CA 0.359 56.807 56.400 0.081 0.000 0.840 303 E CB -0.307 29.424 29.700 0.052 0.000 0.772 303 E HN 0.783 nan 8.360 nan 0.000 0.491 304 F N 2.882 122.792 119.950 -0.067 0.000 2.516 304 F HA 0.246 4.773 4.527 0.000 0.000 0.351 304 F C 1.402 177.132 175.800 -0.117 0.000 1.208 304 F CA -1.097 56.796 58.000 -0.179 0.000 1.073 304 F CB 0.087 38.973 39.000 -0.189 0.000 1.203 304 F HN -0.033 nan 8.300 nan 0.000 0.602 305 A N 4.846 127.598 122.820 -0.113 0.000 2.032 305 A HA -0.163 4.157 4.320 -0.000 0.000 0.221 305 A C 2.172 179.526 177.584 -0.383 0.000 1.165 305 A CA 1.935 53.855 52.037 -0.194 0.000 0.645 305 A CB -0.911 18.014 19.000 -0.125 0.000 0.807 305 A HN 0.561 nan 8.150 nan 0.000 0.453 306 V N -1.500 117.890 119.914 -0.875 0.000 2.407 306 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 306 V C 2.214 177.980 176.094 -0.547 0.000 1.055 306 V CA 1.938 63.706 62.300 -0.885 0.000 1.049 306 V CB -0.794 30.157 31.823 -1.454 0.000 0.662 306 V HN 0.568 nan 8.190 nan 0.000 0.455 307 F N 0.128 119.693 119.950 -0.641 0.000 2.243 307 F HA 0.287 4.814 4.527 0.000 0.000 0.287 307 F C 2.393 178.087 175.800 -0.176 0.000 1.067 307 F CA 0.366 58.188 58.000 -0.297 0.000 1.304 307 F CB -1.494 37.397 39.000 -0.183 0.000 1.087 307 F HN 0.056 nan 8.300 nan 0.000 0.513 308 A N 0.678 123.535 122.820 0.060 0.000 1.873 308 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 308 A C 2.562 180.144 177.584 -0.004 0.000 1.193 308 A CA 2.249 54.303 52.037 0.029 0.000 0.629 308 A CB -1.603 17.412 19.000 0.025 0.000 0.826 308 A HN 0.408 nan 8.150 nan 0.000 0.447 309 G N 0.327 109.105 108.800 -0.038 0.000 2.672 309 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 309 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 309 G C 0.050 174.941 174.900 -0.015 0.000 1.238 309 G CA 1.472 46.552 45.100 -0.033 0.000 0.791 309 G HN 0.565 nan 8.290 nan 0.000 0.606 310 P HA 0.027 nan 4.420 nan 0.000 0.223 310 P C 1.768 179.072 177.300 0.006 0.000 1.151 310 P CA 1.770 64.873 63.100 0.004 0.000 0.787 310 P CB -0.059 31.652 31.700 0.018 0.000 0.788 311 A N 0.216 123.039 122.820 0.005 0.000 1.970 311 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 311 A C 2.161 179.743 177.584 -0.004 0.000 1.170 311 A CA 1.095 53.129 52.037 -0.006 0.000 0.645 311 A CB -0.952 18.040 19.000 -0.014 0.000 0.816 311 A HN 0.120 nan 8.150 nan 0.000 0.447 312 N N 0.057 118.757 118.700 -0.001 0.000 2.424 312 N HA -0.041 4.699 4.740 -0.000 0.000 0.178 312 N C -0.317 175.193 175.510 -0.001 0.000 1.060 312 N CA 0.448 53.497 53.050 -0.001 0.000 0.901 312 N CB 0.024 38.511 38.487 0.000 0.000 0.979 312 N HN 0.518 nan 8.380 nan 0.000 0.451 313 D N 1.568 121.968 120.400 -0.001 0.000 2.393 313 D HA 0.153 4.793 4.640 -0.000 0.000 0.232 313 D C -1.807 174.495 176.300 0.003 0.000 1.192 313 D CA -1.974 52.027 54.000 0.001 0.000 0.882 313 D CB 1.334 42.135 40.800 0.000 0.000 1.038 313 D HN -0.057 nan 8.370 nan 0.000 0.499 314 P HA -0.150 nan 4.420 nan 0.000 0.224 314 P C 0.329 177.635 177.300 0.010 0.000 1.142 314 P CA 1.068 64.172 63.100 0.006 0.000 0.778 314 P CB 0.188 31.892 31.700 0.006 0.000 0.764 315 K N -0.968 119.438 120.400 0.011 0.000 2.437 315 K HA 0.287 4.607 4.320 -0.000 0.000 0.205 315 K C 0.982 177.591 176.600 0.015 0.000 1.026 315 K CA -0.090 56.207 56.287 0.016 0.000 1.153 315 K CB 0.607 33.118 32.500 0.017 0.000 0.863 315 K HN 0.152 nan 8.250 nan 0.000 0.502 316 G N 1.272 110.078 108.800 0.011 0.000 3.176 316 G HA2 0.664 4.624 3.960 -0.000 0.000 0.272 316 G HA3 0.664 4.624 3.960 -0.000 0.000 0.272 316 G C -1.278 173.626 174.900 0.008 0.000 1.349 316 G CA -0.774 44.333 45.100 0.012 0.000 0.953 316 G HN 0.223 nan 8.290 nan 0.000 0.559 317 R N -2.321 118.185 120.500 0.011 0.000 2.824 317 R HA 0.443 4.783 4.340 -0.000 0.000 0.267 317 R C -2.333 173.977 176.300 0.017 0.000 1.035 317 R CA -0.829 55.274 56.100 0.005 0.000 0.887 317 R CB 1.059 31.357 30.300 -0.004 0.000 1.262 317 R HN 0.471 nan 8.270 nan 0.000 0.487 318 V N 1.519 121.435 119.914 0.003 0.000 2.334 318 V HA 0.683 4.803 4.120 -0.000 0.000 0.281 318 V C -0.124 175.989 176.094 0.032 0.000 1.016 318 V CA -0.290 62.016 62.300 0.010 0.000 0.832 318 V CB 1.076 32.840 31.823 -0.098 0.000 0.999 318 V HN 0.857 nan 8.190 nan 0.000 0.439 319 A N 4.502 127.366 122.820 0.073 0.000 2.304 319 A HA 0.919 5.239 4.320 -0.000 0.000 0.323 319 A C 0.102 177.722 177.584 0.059 0.000 1.195 319 A CA -0.349 51.713 52.037 0.041 0.000 0.826 319 A CB 1.258 20.260 19.000 0.004 0.000 1.184 319 A HN 1.136 nan 8.150 nan 0.000 0.496 320 A N 1.822 124.625 122.820 -0.028 0.000 2.317 320 A HA 0.669 4.989 4.320 -0.000 0.000 0.327 320 A C -0.847 176.626 177.584 -0.184 0.000 1.178 320 A CA -0.437 51.471 52.037 -0.215 0.000 0.817 320 A CB 0.735 19.617 19.000 -0.196 0.000 1.189 320 A HN 1.648 nan 8.150 nan 0.000 0.489 321 L N 2.635 123.736 121.223 -0.204 0.000 2.343 321 L HA 0.539 4.879 4.340 -0.000 0.000 0.278 321 L C 0.004 176.799 176.870 -0.124 0.000 0.996 321 L CA -0.358 54.417 54.840 -0.108 0.000 0.831 321 L CB 1.344 43.388 42.059 -0.025 0.000 1.232 321 L HN 0.731 nan 8.230 nan 0.000 0.413 322 R N 4.914 125.345 120.500 -0.116 0.000 2.202 322 R HA 0.546 4.886 4.340 -0.000 0.000 0.334 322 R C -1.335 174.919 176.300 -0.077 0.000 1.036 322 R CA -0.384 55.646 56.100 -0.116 0.000 0.878 322 R CB 1.187 31.427 30.300 -0.100 0.000 1.067 322 R HN 0.641 nan 8.270 nan 0.000 0.457 323 V N 4.426 124.290 119.914 -0.083 0.000 2.370 323 V HA 0.514 4.634 4.120 -0.000 0.000 0.283 323 V C -2.589 173.472 176.094 -0.056 0.000 1.023 323 V CA -2.687 59.584 62.300 -0.047 0.000 0.857 323 V CB 1.481 33.303 31.823 -0.001 0.000 0.985 323 V HN 0.675 nan 8.190 nan 0.000 0.443 324 P HA 0.249 nan 4.420 nan 0.000 0.264 324 P C 0.980 178.261 177.300 -0.031 0.000 1.193 324 P CA 1.524 64.603 63.100 -0.036 0.000 0.763 324 P CB 0.828 32.512 31.700 -0.027 0.000 0.810 325 G N 3.334 112.114 108.800 -0.034 0.000 2.361 325 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.294 325 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.294 325 G C 1.067 175.951 174.900 -0.027 0.000 1.004 325 G CA 0.413 45.496 45.100 -0.028 0.000 0.870 325 G HN 0.761 nan 8.290 nan 0.000 0.510 326 G N -0.898 107.877 108.800 -0.042 0.000 2.985 326 G HA2 0.425 4.385 3.960 -0.000 0.000 0.209 326 G HA3 0.425 4.385 3.960 -0.000 0.000 0.209 326 G C 1.574 176.437 174.900 -0.062 0.000 1.165 326 G CA 1.269 46.349 45.100 -0.033 0.000 0.776 326 G HN 1.225 nan 8.290 nan 0.000 0.541 327 A N 1.294 124.075 122.820 -0.066 0.000 2.015 327 A HA 0.003 4.323 4.320 -0.000 0.000 0.219 327 A C 2.552 180.111 177.584 -0.042 0.000 1.163 327 A CA 1.899 53.897 52.037 -0.064 0.000 0.646 327 A CB -0.435 18.539 19.000 -0.043 0.000 0.806 327 A HN 0.649 nan 8.150 nan 0.000 0.448 328 S N -0.877 114.807 115.700 -0.026 0.000 2.603 328 S HA 0.161 4.631 4.470 -0.000 0.000 0.229 328 S C 0.536 175.129 174.600 -0.012 0.000 0.972 328 S CA -0.213 57.977 58.200 -0.016 0.000 0.935 328 S CB -0.727 62.467 63.200 -0.010 0.000 0.769 328 S HN 0.252 nan 8.310 nan 0.000 0.536 329 L N 2.172 123.389 121.223 -0.010 0.000 2.492 329 L HA 0.276 4.616 4.340 -0.000 0.000 0.280 329 L C 0.715 177.575 176.870 -0.016 0.000 1.240 329 L CA 0.926 55.774 54.840 0.014 0.000 0.831 329 L CB 0.446 42.550 42.059 0.075 0.000 1.100 329 L HN 0.136 nan 8.230 nan 0.000 0.505 330 T N 1.899 116.444 114.554 -0.014 0.000 2.943 330 T HA 0.253 4.603 4.350 -0.000 0.000 0.284 330 T C 0.996 175.676 174.700 -0.032 0.000 1.015 330 T CA -0.465 61.620 62.100 -0.026 0.000 1.042 330 T CB 1.608 70.460 68.868 -0.025 0.000 1.055 330 T HN 0.644 nan 8.240 nan 0.000 0.500 331 R N 1.983 122.472 120.500 -0.020 0.000 2.113 331 R HA -0.105 4.235 4.340 -0.000 0.000 0.244 331 R C 1.965 178.262 176.300 -0.005 0.000 1.142 331 R CA 1.944 58.043 56.100 -0.002 0.000 0.953 331 R CB -0.220 30.090 30.300 0.017 0.000 0.860 331 R HN 0.364 nan 8.270 nan 0.000 0.438 332 K N 0.455 120.843 120.400 -0.020 0.000 2.026 332 K HA -0.134 4.186 4.320 -0.000 0.000 0.208 332 K C 2.162 178.716 176.600 -0.077 0.000 1.048 332 K CA 1.962 58.228 56.287 -0.036 0.000 0.929 332 K CB -0.273 32.203 32.500 -0.040 0.000 0.713 332 K HN 0.509 nan 8.250 nan 0.000 0.439 333 Q N 0.305 120.043 119.800 -0.103 0.000 2.084 333 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 333 Q C 2.301 178.180 176.000 -0.203 0.000 0.978 333 Q CA 1.124 56.799 55.803 -0.213 0.000 0.844 333 Q CB -0.207 28.444 28.738 -0.146 0.000 0.898 333 Q HN 0.323 nan 8.270 nan 0.000 0.426 334 I N 1.265 121.829 120.570 -0.011 0.000 2.179 334 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 334 I C 1.718 177.895 176.117 0.101 0.000 1.088 334 I CA 1.073 62.448 61.300 0.125 0.000 1.357 334 I CB -0.393 37.610 38.000 0.004 0.000 1.051 334 I HN 0.134 nan 8.210 nan 0.000 0.409 335 D N 0.988 121.419 120.400 0.051 0.000 2.149 335 D HA -0.204 4.436 4.640 -0.000 0.000 0.198 335 D C 2.025 178.346 176.300 0.036 0.000 0.990 335 D CA 1.571 55.610 54.000 0.065 0.000 0.839 335 D CB -0.212 40.616 40.800 0.048 0.000 0.948 335 D HN 0.606 nan 8.370 nan 0.000 0.460 336 E N 0.169 120.335 120.200 -0.056 0.000 2.017 336 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 336 E C 2.016 178.631 176.600 0.024 0.000 0.997 336 E CA 0.918 57.273 56.400 -0.074 0.000 0.804 336 E CB -0.823 28.745 29.700 -0.218 0.000 0.757 336 E HN 0.243 nan 8.360 nan 0.000 0.448 337 Y N 1.830 122.134 120.300 0.007 0.000 2.151 337 Y HA -0.142 4.408 4.550 -0.000 0.000 0.284 337 Y C 2.844 178.773 175.900 0.048 0.000 1.166 337 Y CA 1.195 59.278 58.100 -0.027 0.000 1.163 337 Y CB -1.303 37.008 38.460 -0.248 0.000 0.974 337 Y HN 0.261 nan 8.280 nan 0.000 0.511 338 G N 0.029 108.954 108.800 0.207 0.000 2.513 338 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.219 338 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.219 338 G C 1.670 176.663 174.900 0.156 0.000 1.160 338 G CA 1.388 46.593 45.100 0.175 0.000 0.767 338 G HN 0.390 nan 8.290 nan 0.000 0.571 339 N N -0.276 118.508 118.700 0.140 0.000 2.354 339 N HA -0.030 4.710 4.740 -0.000 0.000 0.179 339 N C 1.859 177.435 175.510 0.110 0.000 1.021 339 N CA 0.525 53.635 53.050 0.099 0.000 0.887 339 N CB -0.196 38.331 38.487 0.067 0.000 0.974 339 N HN 0.377 nan 8.380 nan 0.000 0.437 340 F N 2.820 122.808 119.950 0.064 0.000 2.171 340 F HA -0.181 4.346 4.527 -0.000 0.000 0.300 340 F C 2.267 178.139 175.800 0.120 0.000 1.090 340 F CA 0.972 59.025 58.000 0.087 0.000 1.293 340 F CB -0.269 38.822 39.000 0.152 0.000 1.013 340 F HN -0.149 nan 8.300 nan 0.000 0.486 341 V N -1.459 118.620 119.914 0.275 0.000 2.515 341 V HA -0.213 3.907 4.120 -0.000 0.000 0.250 341 V C 2.164 178.302 176.094 0.073 0.000 1.058 341 V CA 1.852 64.286 62.300 0.223 0.000 1.064 341 V CB -1.110 30.835 31.823 0.204 0.000 0.675 341 V HN 0.315 nan 8.190 nan 0.000 0.461 342 K N 0.689 121.094 120.400 0.009 0.000 2.113 342 K HA -0.072 4.248 4.320 -0.000 0.000 0.208 342 K C 2.088 178.603 176.600 -0.142 0.000 1.047 342 K CA 2.152 58.418 56.287 -0.035 0.000 0.928 342 K CB -0.553 31.930 32.500 -0.027 0.000 0.716 342 K HN 0.498 nan 8.250 nan 0.000 0.446 343 I N 0.124 120.505 120.570 -0.315 0.000 2.381 343 I HA -0.288 3.882 4.170 -0.000 0.000 0.255 343 I C 1.277 177.016 176.117 -0.629 0.000 1.140 343 I CA 1.455 62.427 61.300 -0.546 0.000 1.404 343 I CB -0.262 37.190 38.000 -0.915 0.000 1.075 343 I HN 0.185 nan 8.210 nan 0.000 0.433 344 Y N -0.058 120.147 120.300 -0.159 0.000 2.458 344 Y HA 0.325 4.875 4.550 -0.000 0.000 0.256 344 Y C 1.695 177.567 175.900 -0.047 0.000 1.159 344 Y CA 0.353 58.397 58.100 -0.093 0.000 1.261 344 Y CB 0.585 38.997 38.460 -0.079 0.000 1.119 344 Y HN 0.209 nan 8.280 nan 0.000 0.524 345 G N -0.415 108.406 108.800 0.035 0.000 2.192 345 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.193 345 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.193 345 G C 0.296 175.223 174.900 0.045 0.000 0.999 345 G CA -0.350 44.770 45.100 0.034 0.000 0.659 345 G HN 0.521 nan 8.290 nan 0.000 0.503 346 A N 0.324 123.184 122.820 0.066 0.000 2.440 346 A HA 0.644 4.964 4.320 -0.000 0.000 0.251 346 A C 0.911 178.529 177.584 0.056 0.000 1.089 346 A CA 0.603 52.684 52.037 0.073 0.000 0.779 346 A CB 0.286 19.348 19.000 0.104 0.000 1.022 346 A HN 0.335 nan 8.150 nan 0.000 0.492 347 K N 1.573 122.006 120.400 0.054 0.000 2.596 347 K HA 0.392 4.712 4.320 -0.000 0.000 0.211 347 K C 0.558 177.196 176.600 0.064 0.000 1.046 347 K CA 0.567 56.880 56.287 0.043 0.000 1.202 347 K CB 0.010 32.523 32.500 0.022 0.000 0.925 347 K HN 1.122 nan 8.250 nan 0.000 0.486 348 G N 0.681 109.536 108.800 0.092 0.000 2.359 348 G HA2 0.109 4.069 3.960 -0.000 0.000 0.303 348 G HA3 0.109 4.069 3.960 -0.000 0.000 0.303 348 G C -2.388 172.616 174.900 0.173 0.000 1.293 348 G CA -1.082 44.094 45.100 0.127 0.000 0.964 348 G HN 0.025 nan 8.290 nan 0.000 0.531 349 L N 0.522 121.884 121.223 0.231 0.000 2.573 349 L HA 0.764 5.104 4.340 -0.000 0.000 0.260 349 L C 0.507 177.652 176.870 0.458 0.000 0.997 349 L CA 0.397 55.425 54.840 0.314 0.000 0.890 349 L CB 0.905 43.106 42.059 0.235 0.000 1.179 349 L HN 1.763 nan 8.230 nan 0.000 0.439 350 A N 3.522 126.640 122.820 0.496 0.000 2.351 350 A HA 0.651 4.971 4.320 -0.000 0.000 0.257 350 A C -1.006 177.018 177.584 0.733 0.000 1.087 350 A CA 0.091 52.433 52.037 0.509 0.000 0.798 350 A CB 0.256 19.558 19.000 0.504 0.000 1.033 350 A HN 0.816 nan 8.150 nan 0.000 0.488 351 Y N -1.711 118.888 120.300 0.497 0.000 2.644 351 Y HA 0.814 5.364 4.550 -0.000 0.000 0.338 351 Y C -1.134 174.925 175.900 0.264 0.000 1.119 351 Y CA -1.825 56.461 58.100 0.310 0.000 1.060 351 Y CB 1.274 39.807 38.460 0.121 0.000 1.294 351 Y HN 0.442 nan 8.280 nan 0.000 0.472 352 I N 2.282 123.052 120.570 0.333 0.000 2.529 352 I HA 0.290 4.460 4.170 -0.000 0.000 0.284 352 I C -1.096 175.106 176.117 0.141 0.000 1.088 352 I CA -0.792 60.647 61.300 0.231 0.000 1.062 352 I CB 2.112 40.270 38.000 0.262 0.000 1.218 352 I HN 0.618 nan 8.210 nan 0.000 0.442 353 K N 5.984 126.488 120.400 0.173 0.000 2.285 353 K HA 0.455 4.775 4.320 -0.000 0.000 0.286 353 K C -0.845 175.775 176.600 0.033 0.000 1.072 353 K CA -0.437 55.891 56.287 0.069 0.000 0.913 353 K CB 1.039 33.598 32.500 0.098 0.000 1.067 353 K HN 0.372 nan 8.250 nan 0.000 0.479 354 V N 6.190 126.101 119.914 -0.005 0.000 2.356 354 V HA 0.044 4.164 4.120 -0.000 0.000 0.258 354 V C 0.588 176.677 176.094 -0.008 0.000 1.065 354 V CA -0.515 61.782 62.300 -0.005 0.000 0.935 354 V CB 0.510 32.322 31.823 -0.019 0.000 1.061 354 V HN 0.816 nan 8.190 nan 0.000 0.484 355 N N 3.685 122.385 118.700 -0.000 0.000 2.349 355 N HA 0.019 4.758 4.740 -0.000 0.000 0.202 355 N C 0.798 176.306 175.510 -0.004 0.000 1.041 355 N CA 0.370 53.418 53.050 -0.002 0.000 0.970 355 N CB 0.283 38.771 38.487 0.002 0.000 1.173 355 N HN 0.707 nan 8.380 nan 0.000 0.493 356 E N 1.745 121.943 120.200 -0.002 0.000 2.261 356 E HA 0.174 4.524 4.350 -0.000 0.000 0.239 356 E C 0.653 177.252 176.600 -0.003 0.000 0.991 356 E CA -0.307 56.091 56.400 -0.003 0.000 0.847 356 E CB 0.497 30.196 29.700 -0.003 0.000 1.223 356 E HN 0.127 nan 8.360 nan 0.000 0.446 357 R N 1.475 121.972 120.500 -0.004 0.000 2.249 357 R HA -0.246 4.094 4.340 -0.000 0.000 0.229 357 R C 1.435 177.734 176.300 -0.002 0.000 1.104 357 R CA 1.938 58.036 56.100 -0.003 0.000 0.876 357 R CB -0.630 29.667 30.300 -0.005 0.000 0.871 357 R HN 0.456 nan 8.270 nan 0.000 0.426 358 A N 0.948 123.766 122.820 -0.003 0.000 2.142 358 A HA -0.116 4.204 4.320 -0.000 0.000 0.208 358 A C 1.610 179.192 177.584 -0.003 0.000 1.344 358 A CA 0.942 52.977 52.037 -0.003 0.000 1.045 358 A CB -0.388 18.610 19.000 -0.003 0.000 0.784 358 A HN 0.347 nan 8.150 nan 0.000 0.509 359 K N -1.073 119.325 120.400 -0.003 0.000 2.380 359 K HA 0.383 4.703 4.320 -0.000 0.000 0.198 359 K C 0.876 177.474 176.600 -0.004 0.000 1.070 359 K CA 0.712 56.997 56.287 -0.003 0.000 1.040 359 K CB 0.217 32.715 32.500 -0.003 0.000 0.903 359 K HN 0.742 nan 8.250 nan 0.000 0.549 360 G N 0.964 109.762 108.800 -0.003 0.000 2.500 360 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.209 360 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.209 360 G C 0.297 175.195 174.900 -0.004 0.000 1.283 360 G CA -0.191 44.907 45.100 -0.003 0.000 0.960 360 G HN 0.178 nan 8.290 nan 0.000 0.528 361 L N -1.173 120.046 121.223 -0.008 0.000 2.549 361 L HA 0.265 4.605 4.340 -0.000 0.000 0.229 361 L C 2.229 179.090 176.870 -0.015 0.000 1.158 361 L CA 2.126 56.959 54.840 -0.012 0.000 0.842 361 L CB -0.532 41.515 42.059 -0.021 0.000 0.952 361 L HN 0.661 nan 8.230 nan 0.000 0.452 362 E N 1.197 121.391 120.200 -0.011 0.000 2.122 362 E HA -0.002 4.348 4.350 -0.000 0.000 0.190 362 E C 2.217 178.813 176.600 -0.006 0.000 0.977 362 E CA 0.959 57.352 56.400 -0.011 0.000 0.820 362 E CB -0.355 29.339 29.700 -0.010 0.000 0.770 362 E HN 0.534 nan 8.360 nan 0.000 0.462 363 G N 2.584 111.382 108.800 -0.004 0.000 2.534 363 G HA2 0.033 3.993 3.960 -0.000 0.000 0.217 363 G HA3 0.033 3.993 3.960 -0.000 0.000 0.217 363 G C 1.302 176.204 174.900 0.003 0.000 1.128 363 G CA 0.593 45.693 45.100 -0.001 0.000 0.784 363 G HN 0.331 nan 8.290 nan 0.000 0.542 364 I N -3.686 116.887 120.570 0.005 0.000 3.944 364 I HA 0.600 4.770 4.170 -0.000 0.000 0.259 364 I C -0.490 175.636 176.117 0.016 0.000 1.337 364 I CA -1.400 59.908 61.300 0.014 0.000 1.104 364 I CB 1.745 39.758 38.000 0.021 0.000 1.465 364 I HN -0.103 nan 8.210 nan 0.000 0.564 365 N N 0.231 118.949 118.700 0.031 0.000 2.905 365 N HA 0.285 5.025 4.740 -0.000 0.000 0.255 365 N C -1.808 173.729 175.510 0.045 0.000 1.199 365 N CA -0.076 52.994 53.050 0.034 0.000 0.911 365 N CB 1.173 39.693 38.487 0.056 0.000 1.550 365 N HN 0.811 nan 8.380 nan 0.000 0.599 366 S N 3.444 119.124 115.700 -0.033 0.000 2.566 366 S HA 0.464 4.934 4.470 -0.000 0.000 0.273 366 S C -2.373 172.097 174.600 -0.217 0.000 1.157 366 S CA -1.026 57.098 58.200 -0.127 0.000 0.938 366 S CB 1.645 64.807 63.200 -0.063 0.000 1.087 366 S HN 0.315 nan 8.310 nan 0.000 0.474 367 P HA -0.042 nan 4.420 nan 0.000 0.220 367 P C 1.286 178.368 177.300 -0.364 0.000 1.148 367 P CA 1.092 64.021 63.100 -0.285 0.000 0.803 367 P CB -0.023 31.523 31.700 -0.257 0.000 0.782 368 V N -4.590 115.155 119.914 -0.281 0.000 3.650 368 V HA 0.325 4.445 4.120 -0.000 0.000 0.271 368 V C 2.061 177.975 176.094 -0.301 0.000 1.281 368 V CA 0.766 62.909 62.300 -0.261 0.000 1.120 368 V CB -1.303 30.554 31.823 0.058 0.000 0.856 368 V HN -0.027 nan 8.190 nan 0.000 0.443 369 A N 2.725 125.396 122.820 -0.249 0.000 1.958 369 A HA -0.257 4.063 4.320 -0.000 0.000 0.221 369 A C 2.262 179.697 177.584 -0.248 0.000 1.178 369 A CA 2.572 54.504 52.037 -0.176 0.000 0.642 369 A CB -0.581 18.339 19.000 -0.133 0.000 0.816 369 A HN 0.831 nan 8.150 nan 0.000 0.453 370 K N -1.869 118.249 120.400 -0.470 0.000 2.365 370 K HA -0.015 4.305 4.320 -0.000 0.000 0.199 370 K C 0.800 177.164 176.600 -0.394 0.000 1.045 370 K CA 1.149 57.160 56.287 -0.461 0.000 0.962 370 K CB -0.295 31.868 32.500 -0.561 0.000 0.759 370 K HN 0.374 nan 8.250 nan 0.000 0.469 371 F N 0.853 120.679 119.950 -0.207 0.000 2.765 371 F HA 0.266 4.793 4.527 -0.000 0.000 0.302 371 F C 0.720 176.498 175.800 -0.037 0.000 1.111 371 F CA -0.471 57.392 58.000 -0.229 0.000 1.359 371 F CB -0.232 38.389 39.000 -0.633 0.000 1.097 371 F HN -0.106 nan 8.300 nan 0.000 0.577 372 L N -0.540 120.734 121.223 0.084 0.000 2.422 372 L HA 0.453 4.793 4.340 -0.000 0.000 0.263 372 L C -0.019 176.868 176.870 0.028 0.000 1.110 372 L CA -0.786 54.108 54.840 0.091 0.000 1.065 372 L CB 0.519 42.626 42.059 0.079 0.000 1.701 372 L HN 0.111 nan 8.230 nan 0.000 0.548 373 N N -2.255 116.457 118.700 0.020 0.000 3.344 373 N HA 0.523 5.263 4.740 -0.000 0.000 0.296 373 N C -0.004 175.507 175.510 0.001 0.000 1.571 373 N CA -0.150 52.902 53.050 0.004 0.000 0.844 373 N CB 0.325 38.819 38.487 0.011 0.000 1.718 373 N HN 0.450 nan 8.380 nan 0.000 0.589 374 A N 0.088 122.907 122.820 -0.002 0.000 1.851 374 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 374 A C 1.685 179.271 177.584 0.004 0.000 1.195 374 A CA 1.900 53.937 52.037 -0.001 0.000 0.622 374 A CB -1.244 17.754 19.000 -0.003 0.000 0.831 374 A HN 0.791 nan 8.150 nan 0.000 0.444 375 E N -0.366 119.837 120.200 0.005 0.000 2.058 375 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 375 E C 1.958 178.562 176.600 0.007 0.000 0.997 375 E CA 1.386 57.790 56.400 0.006 0.000 0.801 375 E CB -0.352 29.351 29.700 0.006 0.000 0.746 375 E HN 0.716 nan 8.360 nan 0.000 0.450 376 I N 0.930 121.506 120.570 0.009 0.000 2.226 376 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 376 I C 2.375 178.499 176.117 0.011 0.000 1.100 376 I CA 1.075 62.379 61.300 0.007 0.000 1.374 376 I CB -0.296 37.709 38.000 0.009 0.000 1.057 376 I HN 0.108 nan 8.210 nan 0.000 0.413 377 I N 0.276 120.857 120.570 0.018 0.000 2.493 377 I HA -0.215 3.955 4.170 -0.000 0.000 0.254 377 I C 2.574 178.709 176.117 0.030 0.000 1.160 377 I CA 1.017 62.336 61.300 0.032 0.000 1.445 377 I CB -0.328 37.689 38.000 0.029 0.000 1.086 377 I HN 0.245 nan 8.210 nan 0.000 0.433 378 E N 0.952 121.162 120.200 0.017 0.000 2.072 378 E HA -0.184 4.166 4.350 -0.000 0.000 0.190 378 E C 1.620 178.227 176.600 0.012 0.000 0.982 378 E CA 1.224 57.631 56.400 0.012 0.000 0.803 378 E CB -0.111 29.593 29.700 0.006 0.000 0.755 378 E HN 0.466 nan 8.360 nan 0.000 0.453 379 D N 0.350 120.756 120.400 0.011 0.000 2.149 379 D HA -0.127 4.513 4.640 -0.000 0.000 0.198 379 D C 1.978 178.286 176.300 0.014 0.000 0.990 379 D CA 0.840 54.844 54.000 0.008 0.000 0.839 379 D CB -0.122 40.680 40.800 0.003 0.000 0.948 379 D HN 0.216 nan 8.370 nan 0.000 0.460 380 I N 0.111 120.699 120.570 0.031 0.000 2.193 380 I HA -0.179 3.991 4.170 -0.000 0.000 0.240 380 I C 2.217 178.354 176.117 0.032 0.000 1.084 380 I CA 0.658 61.991 61.300 0.055 0.000 1.365 380 I CB -0.193 37.888 38.000 0.135 0.000 1.064 380 I HN -0.002 nan 8.210 nan 0.000 0.410 381 L N 0.333 121.575 121.223 0.031 0.000 2.127 381 L HA -0.249 4.091 4.340 -0.000 0.000 0.211 381 L C 1.974 178.843 176.870 -0.003 0.000 1.089 381 L CA 1.311 56.157 54.840 0.010 0.000 0.757 381 L CB -0.766 41.300 42.059 0.012 0.000 0.899 381 L HN 0.301 nan 8.230 nan 0.000 0.434 382 D N -0.316 120.084 120.400 0.000 0.000 2.084 382 D HA -0.139 4.501 4.640 -0.000 0.000 0.199 382 D C 2.178 178.472 176.300 -0.011 0.000 0.981 382 D CA 0.861 54.858 54.000 -0.005 0.000 0.841 382 D CB -0.039 40.760 40.800 -0.003 0.000 0.997 382 D HN -0.020 nan 8.370 nan 0.000 0.454 383 R N 0.052 120.546 120.500 -0.009 0.000 2.136 383 R HA -0.165 4.175 4.340 -0.000 0.000 0.242 383 R C 2.034 178.318 176.300 -0.026 0.000 1.131 383 R CA 2.475 58.565 56.100 -0.016 0.000 0.937 383 R CB -0.801 29.491 30.300 -0.013 0.000 0.863 383 R HN 0.352 nan 8.270 nan 0.000 0.435 384 T N -2.250 112.286 114.554 -0.030 0.000 3.163 384 T HA 0.168 4.518 4.350 -0.000 0.000 0.260 384 T C 0.942 175.617 174.700 -0.042 0.000 1.156 384 T CA 0.558 62.629 62.100 -0.048 0.000 1.072 384 T CB -0.198 68.629 68.868 -0.068 0.000 0.937 384 T HN 0.490 nan 8.240 nan 0.000 0.528 385 A N 0.363 123.165 122.820 -0.030 0.000 2.783 385 A HA 0.092 4.412 4.320 -0.000 0.000 0.292 385 A C 0.939 178.506 177.584 -0.029 0.000 1.495 385 A CA 0.482 52.504 52.037 -0.025 0.000 0.787 385 A CB -2.471 16.515 19.000 -0.024 0.000 1.017 385 A HN 1.724 nan 8.150 nan 0.000 0.516 386 A N -0.548 122.253 122.820 -0.032 0.000 2.536 386 A HA 0.463 4.783 4.320 -0.000 0.000 0.234 386 A C 0.666 178.233 177.584 -0.027 0.000 1.076 386 A CA 0.812 52.827 52.037 -0.037 0.000 0.769 386 A CB 0.144 19.123 19.000 -0.036 0.000 1.020 386 A HN 0.867 nan 8.150 nan 0.000 0.508 387 Q N 0.142 119.924 119.800 -0.030 0.000 2.456 387 Q HA 0.240 4.580 4.340 -0.000 0.000 0.283 387 Q C -1.463 174.524 176.000 -0.023 0.000 1.084 387 Q CA -0.951 54.838 55.803 -0.023 0.000 0.801 387 Q CB 1.575 30.299 28.738 -0.022 0.000 1.434 387 Q HN 0.775 nan 8.270 nan 0.000 0.419 388 D N 0.559 120.949 120.400 -0.017 0.000 2.531 388 D HA 0.116 4.756 4.640 -0.000 0.000 0.239 388 D C 1.125 177.414 176.300 -0.020 0.000 1.144 388 D CA 1.781 55.771 54.000 -0.016 0.000 0.869 388 D CB 0.508 41.301 40.800 -0.012 0.000 1.160 388 D HN 0.870 nan 8.370 nan 0.000 0.484 389 G N 2.410 111.197 108.800 -0.021 0.000 2.176 389 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.253 389 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.253 389 G C 0.217 175.094 174.900 -0.038 0.000 0.979 389 G CA -0.073 45.012 45.100 -0.025 0.000 0.641 389 G HN 0.513 nan 8.290 nan 0.000 0.530 390 D N -0.241 120.132 120.400 -0.045 0.000 2.377 390 D HA 0.643 5.282 4.640 -0.000 0.000 0.245 390 D C 0.469 176.708 176.300 -0.102 0.000 1.196 390 D CA 0.163 54.123 54.000 -0.067 0.000 0.962 390 D CB 1.049 41.811 40.800 -0.064 0.000 1.127 390 D HN 0.256 nan 8.370 nan 0.000 0.471 391 M N 1.456 120.961 119.600 -0.158 0.000 2.263 391 M HA 0.367 4.847 4.480 -0.000 0.000 0.295 391 M C -1.942 174.137 176.300 -0.369 0.000 1.028 391 M CA -0.463 54.666 55.300 -0.286 0.000 0.921 391 M CB 1.368 33.733 32.600 -0.392 0.000 1.601 391 M HN 0.114 nan 8.290 nan 0.000 0.440 392 I N 5.637 125.981 120.570 -0.376 0.000 2.330 392 I HA 0.363 4.533 4.170 -0.000 0.000 0.289 392 I C -1.028 174.729 176.117 -0.601 0.000 1.001 392 I CA -0.274 60.760 61.300 -0.443 0.000 1.193 392 I CB 0.291 38.070 38.000 -0.367 0.000 1.345 392 I HN 0.578 nan 8.210 nan 0.000 0.461 393 F N 5.812 125.535 119.950 -0.379 0.000 2.422 393 F HA 0.556 5.083 4.527 -0.000 0.000 0.333 393 F C -0.126 175.407 175.800 -0.446 0.000 1.095 393 F CA -0.574 57.283 58.000 -0.238 0.000 1.038 393 F CB 1.410 40.343 39.000 -0.112 0.000 1.156 393 F HN 0.155 nan 8.300 nan 0.000 0.483 394 F N 0.723 120.889 119.950 0.360 0.000 2.482 394 F HA 0.646 5.173 4.527 -0.000 0.000 0.331 394 F C 0.455 176.390 175.800 0.224 0.000 1.115 394 F CA -1.186 56.960 58.000 0.242 0.000 0.955 394 F CB 1.956 41.137 39.000 0.301 0.000 1.136 394 F HN 0.483 nan 8.300 nan 0.000 0.452 395 G N 1.456 110.445 108.800 0.316 0.000 2.502 395 G HA2 0.630 4.589 3.960 -0.000 0.000 0.311 395 G HA3 0.630 4.589 3.960 -0.000 0.000 0.311 395 G C -1.463 173.556 174.900 0.199 0.000 1.270 395 G CA -0.783 44.446 45.100 0.214 0.000 0.948 395 G HN 0.864 nan 8.290 nan 0.000 0.487 396 A N 3.019 125.960 122.820 0.202 0.000 2.409 396 A HA 0.777 5.097 4.320 -0.000 0.000 0.300 396 A C -0.684 176.953 177.584 0.088 0.000 1.273 396 A CA -0.520 51.613 52.037 0.160 0.000 0.774 396 A CB 1.131 20.289 19.000 0.263 0.000 1.144 396 A HN 0.606 nan 8.150 nan 0.000 0.472 397 D N 0.302 120.739 120.400 0.061 0.000 3.182 397 D HA 0.116 4.756 4.640 -0.000 0.000 0.352 397 D C -1.078 175.239 176.300 0.029 0.000 1.421 397 D CA -0.304 53.719 54.000 0.038 0.000 0.912 397 D CB 0.743 41.569 40.800 0.044 0.000 1.461 397 D HN 0.587 nan 8.370 nan 0.000 0.548 398 N N 0.452 119.168 118.700 0.025 0.000 2.518 398 N HA 0.112 4.852 4.740 -0.000 0.000 0.266 398 N C 0.720 176.244 175.510 0.025 0.000 1.196 398 N CA -0.027 53.037 53.050 0.023 0.000 0.947 398 N CB 0.928 39.429 38.487 0.023 0.000 1.098 398 N HN 0.276 nan 8.380 nan 0.000 0.450 399 K N 0.930 121.342 120.400 0.020 0.000 2.090 399 K HA -0.357 3.963 4.320 -0.000 0.000 0.218 399 K C 1.512 178.121 176.600 0.015 0.000 1.055 399 K CA 2.197 58.493 56.287 0.014 0.000 0.941 399 K CB -0.181 32.330 32.500 0.018 0.000 0.722 399 K HN 0.706 nan 8.250 nan 0.000 0.458 400 K N 0.993 121.411 120.400 0.029 0.000 2.057 400 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 400 K C 2.081 178.701 176.600 0.034 0.000 1.049 400 K CA 1.353 57.661 56.287 0.035 0.000 0.931 400 K CB -0.031 32.500 32.500 0.051 0.000 0.714 400 K HN 0.132 nan 8.250 nan 0.000 0.440 401 I N 0.599 121.193 120.570 0.040 0.000 2.202 401 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 401 I C 2.253 178.394 176.117 0.040 0.000 1.091 401 I CA 0.773 62.105 61.300 0.053 0.000 1.368 401 I CB -0.175 37.858 38.000 0.054 0.000 1.058 401 I HN -0.012 nan 8.210 nan 0.000 0.410 402 V N 1.285 121.217 119.914 0.030 0.000 2.332 402 V HA -0.334 3.786 4.120 -0.000 0.000 0.248 402 V C 2.745 178.830 176.094 -0.015 0.000 1.055 402 V CA 2.107 64.419 62.300 0.020 0.000 1.038 402 V CB -1.059 30.776 31.823 0.021 0.000 0.651 402 V HN 0.499 nan 8.190 nan 0.000 0.450 403 A N 0.018 122.822 122.820 -0.028 0.000 1.865 403 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 403 A C 2.014 179.545 177.584 -0.088 0.000 1.191 403 A CA 2.216 54.217 52.037 -0.061 0.000 0.623 403 A CB -0.784 18.180 19.000 -0.061 0.000 0.826 403 A HN 0.536 nan 8.150 nan 0.000 0.444 404 D N -0.097 120.260 120.400 -0.073 0.000 2.104 404 D HA -0.052 4.588 4.640 -0.000 0.000 0.194 404 D C 2.245 178.333 176.300 -0.354 0.000 0.994 404 D CA 1.706 55.610 54.000 -0.161 0.000 0.830 404 D CB -0.480 40.326 40.800 0.010 0.000 0.959 404 D HN 0.427 nan 8.370 nan 0.000 0.452 405 A N 0.842 123.592 122.820 -0.116 0.000 1.832 405 A HA -0.114 4.206 4.320 -0.000 0.000 0.214 405 A C 2.057 179.606 177.584 -0.058 0.000 1.204 405 A CA 1.364 53.380 52.037 -0.035 0.000 0.606 405 A CB -0.436 18.624 19.000 0.099 0.000 0.849 405 A HN 0.060 nan 8.150 nan 0.000 0.445 406 M N 0.119 119.693 119.600 -0.044 0.000 2.358 406 M HA -0.055 4.425 4.480 -0.000 0.000 0.264 406 M C 2.114 178.360 176.300 -0.090 0.000 1.064 406 M CA 1.085 56.351 55.300 -0.056 0.000 1.093 406 M CB -1.890 30.688 32.600 -0.036 0.000 1.401 406 M HN 0.498 nan 8.290 nan 0.000 0.440 407 G N -0.223 108.504 108.800 -0.122 0.000 2.394 407 G HA2 0.041 4.001 3.960 -0.000 0.000 0.215 407 G HA3 0.041 4.001 3.960 -0.000 0.000 0.215 407 G C 1.654 176.471 174.900 -0.138 0.000 1.165 407 G CA 0.890 45.919 45.100 -0.120 0.000 0.784 407 G HN 0.529 nan 8.290 nan 0.000 0.535 408 A N 0.364 123.056 122.820 -0.214 0.000 1.930 408 A HA 0.267 4.587 4.320 -0.000 0.000 0.215 408 A C 2.270 179.843 177.584 -0.019 0.000 1.176 408 A CA 0.880 52.852 52.037 -0.108 0.000 0.632 408 A CB -0.410 18.441 19.000 -0.248 0.000 0.819 408 A HN 0.306 nan 8.150 nan 0.000 0.445 409 L N -0.188 121.036 121.223 0.001 0.000 2.042 409 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 409 L C 2.669 179.385 176.870 -0.257 0.000 1.076 409 L CA 2.210 56.946 54.840 -0.174 0.000 0.749 409 L CB -0.539 41.425 42.059 -0.159 0.000 0.893 409 L HN 0.517 nan 8.230 nan 0.000 0.432 410 R N 0.042 120.446 120.500 -0.160 0.000 2.105 410 R HA -0.194 4.146 4.340 -0.000 0.000 0.239 410 R C 2.283 178.508 176.300 -0.125 0.000 1.135 410 R CA 1.433 57.457 56.100 -0.127 0.000 0.967 410 R CB -0.246 30.014 30.300 -0.066 0.000 0.861 410 R HN 0.434 nan 8.270 nan 0.000 0.442 411 L N 0.577 121.728 121.223 -0.119 0.000 2.023 411 L HA -0.154 4.186 4.340 -0.000 0.000 0.205 411 L C 2.710 179.500 176.870 -0.133 0.000 1.073 411 L CA 1.298 56.074 54.840 -0.107 0.000 0.745 411 L CB -0.471 41.538 42.059 -0.083 0.000 0.900 411 L HN 0.147 nan 8.230 nan 0.000 0.435 412 K N 0.056 120.335 120.400 -0.201 0.000 1.977 412 K HA -0.205 4.115 4.320 -0.000 0.000 0.218 412 K C 1.992 178.501 176.600 -0.153 0.000 1.051 412 K CA 1.723 57.869 56.287 -0.235 0.000 0.953 412 K CB -0.742 31.457 32.500 -0.502 0.000 0.727 412 K HN 0.077 nan 8.250 nan 0.000 0.445 413 V N 1.067 120.839 119.914 -0.236 0.000 2.428 413 V HA -0.283 3.837 4.120 -0.000 0.000 0.255 413 V C 2.416 178.468 176.094 -0.070 0.000 1.080 413 V CA 2.232 64.434 62.300 -0.163 0.000 1.083 413 V CB -1.115 30.527 31.823 -0.302 0.000 0.665 413 V HN 0.593 nan 8.190 nan 0.000 0.461 414 G N -0.651 108.097 108.800 -0.087 0.000 2.404 414 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.215 414 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.215 414 G C 1.652 176.522 174.900 -0.050 0.000 1.174 414 G CA 0.827 45.890 45.100 -0.062 0.000 0.780 414 G HN 0.486 nan 8.290 nan 0.000 0.537 415 K N 0.373 120.740 120.400 -0.054 0.000 2.001 415 K HA -0.051 4.269 4.320 -0.000 0.000 0.208 415 K C 2.164 178.748 176.600 -0.026 0.000 1.048 415 K CA 1.256 57.517 56.287 -0.043 0.000 0.932 415 K CB -0.213 32.259 32.500 -0.046 0.000 0.715 415 K HN 0.084 nan 8.250 nan 0.000 0.437 416 D N 0.856 121.249 120.400 -0.013 0.000 2.271 416 D HA -0.147 4.493 4.640 -0.000 0.000 0.207 416 D C 1.430 177.739 176.300 0.016 0.000 0.983 416 D CA 1.131 55.138 54.000 0.011 0.000 0.878 416 D CB 0.063 40.902 40.800 0.064 0.000 0.920 416 D HN 0.219 nan 8.370 nan 0.000 0.479 417 L N -1.301 119.929 121.223 0.010 0.000 2.906 417 L HA 0.287 4.627 4.340 -0.000 0.000 0.255 417 L C 1.163 178.027 176.870 -0.010 0.000 1.166 417 L CA -0.006 54.839 54.840 0.008 0.000 0.977 417 L CB 0.354 42.425 42.059 0.019 0.000 1.313 417 L HN -0.028 nan 8.230 nan 0.000 0.549 418 G N 1.347 110.135 108.800 -0.020 0.000 2.321 418 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.287 418 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.287 418 G C 0.714 175.595 174.900 -0.031 0.000 1.018 418 G CA 0.564 45.647 45.100 -0.029 0.000 0.855 418 G HN 0.378 nan 8.290 nan 0.000 0.507 419 L N -0.434 120.770 121.223 -0.032 0.000 2.341 419 L HA 0.134 4.474 4.340 -0.000 0.000 0.214 419 L C 1.578 178.422 176.870 -0.043 0.000 1.115 419 L CA 1.085 55.906 54.840 -0.033 0.000 0.820 419 L CB 0.188 42.229 42.059 -0.030 0.000 0.944 419 L HN 0.216 nan 8.230 nan 0.000 0.452 420 T N 0.581 115.104 114.554 -0.052 0.000 2.738 420 T HA 0.028 4.378 4.350 -0.000 0.000 0.294 420 T C -0.127 174.529 174.700 -0.074 0.000 0.914 420 T CA -0.302 61.758 62.100 -0.067 0.000 1.052 420 T CB 0.267 69.090 68.868 -0.075 0.000 0.897 420 T HN -0.035 nan 8.240 nan 0.000 0.522 421 D N 3.466 123.819 120.400 -0.078 0.000 2.374 421 D HA 0.026 4.666 4.640 -0.000 0.000 0.240 421 D C 1.129 177.354 176.300 -0.124 0.000 1.229 421 D CA -0.490 53.458 54.000 -0.087 0.000 0.895 421 D CB 0.753 41.507 40.800 -0.076 0.000 1.046 421 D HN 0.677 nan 8.370 nan 0.000 0.498 422 E N 0.972 121.093 120.200 -0.132 0.000 2.494 422 E HA -0.054 4.296 4.350 -0.000 0.000 0.193 422 E C 1.228 177.674 176.600 -0.257 0.000 1.074 422 E CA 0.004 56.296 56.400 -0.180 0.000 0.867 422 E CB 0.058 29.672 29.700 -0.143 0.000 0.924 422 E HN 0.273 nan 8.360 nan 0.000 0.502 423 S N 0.050 115.618 115.700 -0.221 0.000 2.528 423 S HA 0.009 4.479 4.470 -0.000 0.000 0.219 423 S C 0.862 175.244 174.600 -0.362 0.000 0.985 423 S CA -0.212 57.835 58.200 -0.255 0.000 0.914 423 S CB -0.023 63.094 63.200 -0.138 0.000 0.776 423 S HN 0.121 nan 8.310 nan 0.000 0.526 424 K N 0.293 120.508 120.400 -0.309 0.000 2.118 424 K HA 0.317 4.637 4.320 -0.000 0.000 0.264 424 K C -1.609 174.762 176.600 -0.381 0.000 1.000 424 K CA -0.779 55.355 56.287 -0.255 0.000 0.929 424 K CB 0.632 33.060 32.500 -0.120 0.000 1.021 424 K HN 0.375 nan 8.250 nan 0.000 0.463 425 W N 1.556 122.831 121.300 -0.042 0.000 2.329 425 W HA 0.453 5.113 4.660 0.000 0.000 0.312 425 W C -0.465 175.939 176.519 -0.192 0.000 1.054 425 W CA -0.714 56.572 57.345 -0.099 0.000 1.245 425 W CB 1.727 31.129 29.460 -0.097 0.000 1.255 425 W HN 0.505 nan 8.180 nan 0.000 0.436 426 A N 6.529 129.340 122.820 -0.015 0.000 2.644 426 A HA 0.527 4.847 4.320 -0.000 0.000 0.343 426 A C -2.499 174.918 177.584 -0.278 0.000 1.324 426 A CA -1.492 50.456 52.037 -0.149 0.000 0.846 426 A CB 0.125 19.035 19.000 -0.150 0.000 1.128 426 A HN 0.295 nan 8.150 nan 0.000 0.484 427 P HA 0.765 nan 4.420 nan 0.000 0.283 427 P C -0.688 176.210 177.300 -0.671 0.000 1.271 427 P CA -0.449 62.161 63.100 -0.816 0.000 0.841 427 P CB 1.823 32.570 31.700 -1.589 0.000 1.122 428 L N -3.665 117.206 121.223 -0.587 0.000 3.075 428 L HA 0.589 4.929 4.340 -0.000 0.000 0.274 428 L C -2.043 174.801 176.870 -0.043 0.000 1.006 428 L CA -0.995 53.736 54.840 -0.181 0.000 0.972 428 L CB 1.001 43.007 42.059 -0.089 0.000 1.515 428 L HN 0.264 nan 8.230 nan 0.000 0.402 429 W N 0.740 122.144 121.300 0.174 0.000 2.606 429 W HA 0.787 5.447 4.660 -0.000 0.000 0.332 429 W C -0.826 175.807 176.519 0.189 0.000 1.052 429 W CA -0.828 56.648 57.345 0.220 0.000 1.223 429 W CB 2.237 31.831 29.460 0.222 0.000 1.383 429 W HN 0.289 nan 8.180 nan 0.000 0.524 430 V N 5.699 125.942 119.914 0.549 0.000 2.378 430 V HA 0.457 4.577 4.120 -0.000 0.000 0.288 430 V C 0.047 176.442 176.094 0.502 0.000 1.016 430 V CA -0.805 61.727 62.300 0.387 0.000 0.840 430 V CB 0.521 32.546 31.823 0.337 0.000 0.994 430 V HN 0.456 nan 8.190 nan 0.000 0.431 431 I N 0.268 121.021 120.570 0.305 0.000 3.067 431 I HA 0.806 4.976 4.170 -0.000 0.000 0.312 431 I C -0.598 175.613 176.117 0.158 0.000 1.073 431 I CA -0.880 60.608 61.300 0.313 0.000 1.016 431 I CB 2.134 40.255 38.000 0.202 0.000 1.227 431 I HN 0.481 nan 8.210 nan 0.000 0.456 432 D N 1.462 121.965 120.400 0.172 0.000 2.800 432 D HA -0.157 4.483 4.640 -0.000 0.000 0.248 432 D C -0.970 175.321 176.300 -0.016 0.000 1.091 432 D CA 0.856 54.893 54.000 0.062 0.000 0.746 432 D CB -1.299 39.523 40.800 0.036 0.000 1.062 432 D HN 0.414 nan 8.370 nan 0.000 0.431 433 F N -0.064 119.816 119.950 -0.116 0.000 2.406 433 F HA 0.385 4.912 4.527 -0.000 0.000 0.327 433 F C -1.247 174.280 175.800 -0.455 0.000 1.153 433 F CA -1.724 56.067 58.000 -0.348 0.000 1.218 433 F CB 0.265 39.119 39.000 -0.243 0.000 1.215 433 F HN -0.148 nan 8.300 nan 0.000 0.570 434 P HA 0.059 nan 4.420 nan 0.000 0.272 434 P C 0.642 177.762 177.300 -0.301 0.000 1.230 434 P CA -0.103 62.797 63.100 -0.332 0.000 0.788 434 P CB 0.545 32.051 31.700 -0.322 0.000 0.949 435 M N 0.120 119.474 119.600 -0.410 0.000 2.193 435 M HA 0.060 4.540 4.480 -0.000 0.000 0.265 435 M C 0.296 176.140 176.300 -0.759 0.000 1.071 435 M CA 1.836 56.685 55.300 -0.752 0.000 1.140 435 M CB -0.490 31.380 32.600 -1.218 0.000 1.369 435 M HN 0.278 nan 8.290 nan 0.000 0.423 436 F N -0.631 119.273 119.950 -0.076 0.000 2.654 436 F HA 0.484 5.011 4.527 -0.000 0.000 0.334 436 F C 0.071 175.851 175.800 -0.032 0.000 1.078 436 F CA -1.318 56.652 58.000 -0.051 0.000 0.986 436 F CB 0.884 39.858 39.000 -0.043 0.000 1.362 436 F HN -0.141 nan 8.300 nan 0.000 0.498 437 E N -0.240 120.089 120.200 0.216 0.000 2.343 437 E HA 0.180 4.530 4.350 -0.000 0.000 0.270 437 E C -1.672 174.985 176.600 0.094 0.000 0.895 437 E CA -1.058 55.416 56.400 0.124 0.000 0.767 437 E CB 2.375 32.135 29.700 0.102 0.000 1.248 437 E HN 0.435 nan 8.360 nan 0.000 0.440 438 D N 1.636 122.080 120.400 0.074 0.000 2.455 438 D HA -0.064 4.576 4.640 -0.000 0.000 0.241 438 D C 0.251 176.574 176.300 0.038 0.000 1.138 438 D CA 0.200 54.228 54.000 0.047 0.000 0.877 438 D CB 0.863 41.691 40.800 0.046 0.000 1.187 438 D HN 0.454 nan 8.370 nan 0.000 0.451 439 D N 2.261 122.672 120.400 0.018 0.000 2.339 439 D HA 0.093 4.733 4.640 -0.000 0.000 0.217 439 D C 1.466 177.773 176.300 0.013 0.000 1.050 439 D CA 0.635 54.643 54.000 0.015 0.000 0.856 439 D CB -0.024 40.775 40.800 -0.002 0.000 0.922 439 D HN 0.639 nan 8.370 nan 0.000 0.518 440 G N 0.903 109.711 108.800 0.014 0.000 2.377 440 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.250 440 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.250 440 G C 0.850 175.753 174.900 0.005 0.000 1.039 440 G CA 0.399 45.507 45.100 0.012 0.000 0.625 440 G HN 0.407 nan 8.290 nan 0.000 0.526 441 E N 0.701 120.901 120.200 0.000 0.000 2.499 441 E HA 0.401 4.751 4.350 -0.000 0.000 0.199 441 E C 1.741 178.335 176.600 -0.010 0.000 1.016 441 E CA 0.935 57.332 56.400 -0.005 0.000 0.933 441 E CB 0.323 30.019 29.700 -0.006 0.000 1.050 441 E HN 1.487 nan 8.360 nan 0.000 0.462 442 G N 0.566 109.360 108.800 -0.010 0.000 2.349 442 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.213 442 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.213 442 G C 0.833 175.716 174.900 -0.029 0.000 1.044 442 G CA -0.152 44.938 45.100 -0.017 0.000 0.633 442 G HN 0.528 nan 8.290 nan 0.000 0.506 443 G N -0.188 108.591 108.800 -0.036 0.000 2.514 443 G HA2 0.622 4.582 3.960 -0.000 0.000 0.245 443 G HA3 0.622 4.582 3.960 -0.000 0.000 0.245 443 G C -0.124 174.731 174.900 -0.074 0.000 1.488 443 G CA 0.025 45.088 45.100 -0.063 0.000 1.063 443 G HN 0.898 nan 8.290 nan 0.000 0.557 444 L N -1.031 120.120 121.223 -0.121 0.000 2.415 444 L HA 0.624 4.964 4.340 -0.000 0.000 0.256 444 L C -0.184 176.622 176.870 -0.107 0.000 1.010 444 L CA -0.850 53.908 54.840 -0.138 0.000 0.826 444 L CB 2.793 44.642 42.059 -0.350 0.000 1.405 444 L HN 0.837 nan 8.230 nan 0.000 0.410 445 T N -1.352 113.207 114.554 0.008 0.000 2.883 445 T HA 0.775 5.125 4.350 -0.000 0.000 0.301 445 T C -0.535 174.294 174.700 0.216 0.000 1.158 445 T CA -0.662 61.481 62.100 0.071 0.000 1.007 445 T CB 1.869 70.770 68.868 0.056 0.000 1.186 445 T HN 0.715 nan 8.240 nan 0.000 0.499 446 A N 3.184 126.124 122.820 0.199 0.000 2.425 446 A HA 0.514 4.834 4.320 -0.000 0.000 0.249 446 A C 1.504 179.145 177.584 0.096 0.000 1.084 446 A CA -0.684 51.460 52.037 0.179 0.000 0.781 446 A CB -0.074 18.965 19.000 0.065 0.000 1.019 446 A HN 0.955 nan 8.150 nan 0.000 0.490 447 M N 0.564 120.191 119.600 0.045 0.000 2.074 447 M HA -0.092 4.388 4.480 -0.000 0.000 0.259 447 M C 1.718 178.063 176.300 0.075 0.000 1.079 447 M CA 2.047 57.386 55.300 0.064 0.000 1.119 447 M CB -1.264 31.373 32.600 0.062 0.000 1.297 447 M HN 0.996 nan 8.290 nan 0.000 0.416 448 H N -0.503 118.466 119.070 -0.168 0.000 2.298 448 H HA 0.093 4.649 4.556 -0.000 0.000 0.318 448 H C 0.522 175.855 175.328 0.008 0.000 1.064 448 H CA 1.247 57.217 56.048 -0.130 0.000 1.415 448 H CB -0.260 29.351 29.762 -0.252 0.000 1.453 448 H HN 0.416 nan 8.280 nan 0.000 0.546 449 H N -2.938 116.169 119.070 0.062 0.000 3.042 449 H HA 0.135 4.691 4.556 -0.000 0.000 0.346 449 H C -2.556 172.667 175.328 -0.175 0.000 1.294 449 H CA -1.874 54.164 56.048 -0.017 0.000 1.141 449 H CB 1.510 31.322 29.762 0.084 0.000 1.872 449 H HN 0.077 nan 8.280 nan 0.000 0.541 450 P HA -0.104 nan 4.420 nan 0.000 0.229 450 P C 0.218 177.071 177.300 -0.745 0.000 1.150 450 P CA 0.873 63.649 63.100 -0.539 0.000 0.765 450 P CB -0.214 31.137 31.700 -0.581 0.000 0.783 451 F N -0.569 119.385 119.950 0.006 0.000 2.639 451 F HA 0.234 4.761 4.527 0.000 0.000 0.300 451 F C 0.987 176.667 175.800 -0.199 0.000 1.109 451 F CA -0.260 57.712 58.000 -0.048 0.000 1.335 451 F CB -0.777 38.304 39.000 0.135 0.000 1.014 451 F HN -0.287 nan 8.300 nan 0.000 0.537 452 T N 0.780 115.118 114.554 -0.359 0.000 2.806 452 T HA 0.353 4.703 4.350 -0.000 0.000 0.290 452 T C 0.384 174.911 174.700 -0.288 0.000 0.966 452 T CA -0.525 61.339 62.100 -0.393 0.000 1.060 452 T CB 1.087 69.611 68.868 -0.574 0.000 0.927 452 T HN 0.245 nan 8.240 nan 0.000 0.485 453 S N 3.898 119.468 115.700 -0.217 0.000 2.616 453 S HA 0.567 5.037 4.470 -0.000 0.000 0.277 453 S C -2.841 171.649 174.600 -0.184 0.000 1.234 453 S CA -1.599 56.493 58.200 -0.180 0.000 1.028 453 S CB 0.730 63.858 63.200 -0.120 0.000 0.988 453 S HN 0.263 nan 8.310 nan 0.000 0.522 454 P HA 0.284 nan 4.420 nan 0.000 0.272 454 P C 0.295 177.533 177.300 -0.102 0.000 1.223 454 P CA -0.443 62.566 63.100 -0.150 0.000 0.784 454 P CB 0.536 32.163 31.700 -0.121 0.000 0.923 455 K N 2.414 122.759 120.400 -0.091 0.000 2.031 455 K HA -0.136 4.184 4.320 -0.000 0.000 0.205 455 K C 0.611 177.186 176.600 -0.042 0.000 1.049 455 K CA 2.262 58.514 56.287 -0.057 0.000 0.939 455 K CB -0.407 32.064 32.500 -0.047 0.000 0.717 455 K HN 0.574 nan 8.250 nan 0.000 0.438 456 D N -2.127 118.247 120.400 -0.043 0.000 2.602 456 D HA 0.142 4.782 4.640 -0.000 0.000 0.265 456 D C -0.180 176.101 176.300 -0.031 0.000 1.454 456 D CA -0.151 53.831 54.000 -0.031 0.000 0.795 456 D CB -0.174 40.612 40.800 -0.023 0.000 1.140 456 D HN 0.036 nan 8.370 nan 0.000 0.486 457 M N 0.564 120.139 119.600 -0.040 0.000 2.478 457 M HA 0.420 4.900 4.480 -0.000 0.000 0.327 457 M C -0.059 176.219 176.300 -0.037 0.000 1.187 457 M CA -0.416 54.863 55.300 -0.035 0.000 1.022 457 M CB 1.964 34.542 32.600 -0.036 0.000 1.629 457 M HN -0.161 nan 8.290 nan 0.000 0.461 458 T N 1.069 115.605 114.554 -0.030 0.000 2.882 458 T HA 0.277 4.627 4.350 -0.000 0.000 0.287 458 T C 1.148 175.828 174.700 -0.035 0.000 1.014 458 T CA -0.112 61.969 62.100 -0.032 0.000 1.049 458 T CB 1.477 70.331 68.868 -0.023 0.000 1.001 458 T HN 0.784 nan 8.240 nan 0.000 0.525 459 A N 1.768 124.563 122.820 -0.043 0.000 1.908 459 A HA -0.011 4.309 4.320 -0.000 0.000 0.218 459 A C 2.510 180.078 177.584 -0.026 0.000 1.181 459 A CA 1.998 54.009 52.037 -0.043 0.000 0.627 459 A CB -1.205 17.762 19.000 -0.055 0.000 0.818 459 A HN 0.927 nan 8.150 nan 0.000 0.445 460 A N 0.168 122.974 122.820 -0.023 0.000 1.865 460 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 460 A C 1.897 179.475 177.584 -0.009 0.000 1.191 460 A CA 1.754 53.781 52.037 -0.016 0.000 0.623 460 A CB -0.662 18.329 19.000 -0.015 0.000 0.826 460 A HN 0.674 nan 8.150 nan 0.000 0.444 461 E N -0.219 119.975 120.200 -0.009 0.000 2.204 461 E HA -0.076 4.274 4.350 -0.000 0.000 0.194 461 E C 1.970 178.574 176.600 0.005 0.000 0.989 461 E CA 0.672 57.069 56.400 -0.004 0.000 0.824 461 E CB -0.273 29.423 29.700 -0.007 0.000 0.756 461 E HN 0.597 nan 8.360 nan 0.000 0.477 462 L N 1.329 122.556 121.223 0.007 0.000 2.017 462 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 462 L C 2.545 179.446 176.870 0.051 0.000 1.073 462 L CA 1.552 56.412 54.840 0.034 0.000 0.745 462 L CB -0.142 41.936 42.059 0.031 0.000 0.894 462 L HN 0.060 nan 8.230 nan 0.000 0.432 463 K N -0.420 119.994 120.400 0.023 0.000 2.148 463 K HA -0.122 4.198 4.320 -0.000 0.000 0.204 463 K C 1.874 178.477 176.600 0.005 0.000 1.050 463 K CA 1.139 57.432 56.287 0.009 0.000 0.942 463 K CB -0.017 32.480 32.500 -0.005 0.000 0.724 463 K HN 0.385 nan 8.250 nan 0.000 0.446 464 A N 0.080 122.904 122.820 0.006 0.000 2.066 464 A HA 0.185 4.505 4.320 -0.000 0.000 0.218 464 A C 0.835 178.425 177.584 0.010 0.000 1.157 464 A CA 1.105 53.145 52.037 0.004 0.000 0.670 464 A CB 0.013 19.014 19.000 0.001 0.000 0.804 464 A HN 0.292 nan 8.150 nan 0.000 0.453 465 A N -0.604 122.229 122.820 0.021 0.000 3.124 465 A HA 0.548 4.868 4.320 -0.000 0.000 0.295 465 A C -1.934 175.687 177.584 0.061 0.000 1.199 465 A CA -0.410 51.645 52.037 0.030 0.000 0.845 465 A CB 0.598 19.611 19.000 0.022 0.000 1.381 465 A HN 0.112 nan 8.150 nan 0.000 0.537 466 P HA -0.018 nan 4.420 nan 0.000 0.220 466 P C 0.992 178.431 177.300 0.231 0.000 1.154 466 P CA 0.859 64.080 63.100 0.201 0.000 0.830 466 P CB 0.525 32.298 31.700 0.120 0.000 0.803 467 E N 1.034 121.308 120.200 0.124 0.000 2.164 467 E HA -0.213 4.137 4.350 -0.000 0.000 0.233 467 E C 1.473 178.140 176.600 0.112 0.000 1.073 467 E CA 1.865 58.330 56.400 0.108 0.000 0.941 467 E CB -0.966 28.769 29.700 0.058 0.000 0.820 467 E HN 0.292 nan 8.360 nan 0.000 0.486 468 N N -0.204 118.538 118.700 0.070 0.000 2.230 468 N HA 0.223 4.963 4.740 -0.000 0.000 0.202 468 N C -0.738 174.772 175.510 0.000 0.000 1.119 468 N CA 0.530 53.602 53.050 0.036 0.000 0.851 468 N CB 0.445 38.951 38.487 0.032 0.000 0.990 468 N HN 0.131 nan 8.380 nan 0.000 0.497 469 A N 0.928 123.753 122.820 0.008 0.000 2.584 469 A HA 0.097 4.417 4.320 -0.000 0.000 0.239 469 A C 0.540 178.045 177.584 -0.132 0.000 1.043 469 A CA 0.183 52.189 52.037 -0.052 0.000 0.756 469 A CB 0.166 19.140 19.000 -0.044 0.000 0.963 469 A HN 0.024 nan 8.150 nan 0.000 0.511 470 V N 2.890 122.738 119.914 -0.111 0.000 2.498 470 V HA 0.483 4.603 4.120 -0.000 0.000 0.279 470 V C 0.930 176.928 176.094 -0.160 0.000 1.048 470 V CA 0.275 62.501 62.300 -0.124 0.000 0.967 470 V CB 0.976 32.759 31.823 -0.067 0.000 0.988 470 V HN 1.164 nan 8.190 nan 0.000 0.473 471 A N 4.078 126.782 122.820 -0.193 0.000 2.269 471 A HA 0.511 4.831 4.320 -0.000 0.000 0.319 471 A C 0.401 177.904 177.584 -0.135 0.000 1.110 471 A CA -0.607 51.297 52.037 -0.223 0.000 0.847 471 A CB 0.411 19.209 19.000 -0.337 0.000 1.161 471 A HN 0.701 nan 8.150 nan 0.000 0.497 472 N N 0.684 119.302 118.700 -0.137 0.000 3.298 472 N HA 0.442 5.182 4.740 -0.000 0.000 0.292 472 N C -0.866 174.604 175.510 -0.067 0.000 1.271 472 N CA 0.310 53.340 53.050 -0.034 0.000 1.184 472 N CB 0.179 38.654 38.487 -0.020 0.000 1.452 472 N HN 0.726 nan 8.380 nan 0.000 0.534 473 A N 2.269 125.022 122.820 -0.112 0.000 2.353 473 A HA 0.572 4.892 4.320 -0.000 0.000 0.299 473 A C -1.350 176.229 177.584 -0.007 0.000 1.089 473 A CA -0.673 51.103 52.037 -0.434 0.000 0.736 473 A CB 0.543 18.923 19.000 -1.034 0.000 1.195 473 A HN 0.381 nan 8.150 nan 0.000 0.447 474 Y N -0.350 120.013 120.300 0.106 0.000 2.562 474 Y HA 0.865 5.415 4.550 -0.000 0.000 0.343 474 Y C -0.808 175.341 175.900 0.415 0.000 1.025 474 Y CA -1.851 56.455 58.100 0.343 0.000 1.082 474 Y CB 1.266 39.834 38.460 0.181 0.000 1.264 474 Y HN 0.434 nan 8.280 nan 0.000 0.478 475 D N 1.909 122.739 120.400 0.717 0.000 2.780 475 D HA 0.326 4.966 4.640 -0.000 0.000 0.242 475 D C -1.301 175.303 176.300 0.506 0.000 1.135 475 D CA -0.544 53.749 54.000 0.488 0.000 0.859 475 D CB 2.278 43.308 40.800 0.382 0.000 1.530 475 D HN 0.775 nan 8.370 nan 0.000 0.493 476 M N 2.922 122.642 119.600 0.200 0.000 2.088 476 M HA 0.464 4.944 4.480 -0.000 0.000 0.346 476 M C -1.613 174.662 176.300 -0.041 0.000 1.111 476 M CA -0.535 54.664 55.300 -0.169 0.000 1.017 476 M CB 0.794 33.125 32.600 -0.449 0.000 1.568 476 M HN 0.041 nan 8.290 nan 0.000 0.445 477 V N 6.732 126.599 119.914 -0.078 0.000 2.547 477 V HA 0.586 4.706 4.120 -0.000 0.000 0.299 477 V C -0.227 175.766 176.094 -0.167 0.000 1.040 477 V CA -0.622 61.649 62.300 -0.049 0.000 0.913 477 V CB 1.979 33.793 31.823 -0.015 0.000 0.992 477 V HN 0.798 nan 8.190 nan 0.000 0.449 478 I N 3.738 124.260 120.570 -0.080 0.000 2.512 478 I HA 0.417 4.587 4.170 -0.000 0.000 0.287 478 I C -0.266 175.875 176.117 0.040 0.000 1.069 478 I CA -0.727 60.507 61.300 -0.111 0.000 1.056 478 I CB 2.017 39.944 38.000 -0.122 0.000 1.229 478 I HN 0.668 nan 8.210 nan 0.000 0.429 479 N N 4.868 123.546 118.700 -0.037 0.000 2.708 479 N HA -0.214 4.526 4.740 -0.000 0.000 0.251 479 N C 0.905 176.283 175.510 -0.219 0.000 1.017 479 N CA 1.436 54.445 53.050 -0.068 0.000 0.742 479 N CB -1.008 37.508 38.487 0.048 0.000 0.943 479 N HN 1.187 nan 8.380 nan 0.000 0.539 480 G N -2.357 106.303 108.800 -0.234 0.000 2.159 480 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.256 480 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.256 480 G C -0.476 174.203 174.900 -0.368 0.000 0.977 480 G CA 0.383 45.281 45.100 -0.336 0.000 0.652 480 G HN 0.447 nan 8.290 nan 0.000 0.531 481 Y N 0.555 120.851 120.300 -0.005 0.000 2.328 481 Y HA 0.510 5.059 4.550 -0.000 0.000 0.336 481 Y C 0.510 176.428 175.900 0.029 0.000 0.960 481 Y CA -1.523 56.589 58.100 0.021 0.000 1.134 481 Y CB 1.372 39.857 38.460 0.043 0.000 1.166 481 Y HN 0.248 nan 8.280 nan 0.000 0.464 482 E N 3.188 123.510 120.200 0.203 0.000 2.271 482 E HA 0.111 4.461 4.350 -0.000 0.000 0.255 482 E C 0.499 177.192 176.600 0.155 0.000 1.177 482 E CA -0.058 56.430 56.400 0.146 0.000 0.946 482 E CB 0.485 30.250 29.700 0.109 0.000 1.009 482 E HN 0.684 nan 8.360 nan 0.000 0.451 483 V N 1.569 121.582 119.914 0.164 0.000 3.647 483 V HA 0.486 4.606 4.120 -0.000 0.000 0.279 483 V C 0.566 176.842 176.094 0.304 0.000 1.314 483 V CA 0.559 62.984 62.300 0.209 0.000 1.125 483 V CB 0.131 32.077 31.823 0.205 0.000 0.907 483 V HN 0.555 nan 8.190 nan 0.000 0.434 484 G N -1.862 107.051 108.800 0.189 0.000 2.387 484 G HA2 0.641 4.601 3.960 -0.000 0.000 0.294 484 G HA3 0.641 4.601 3.960 -0.000 0.000 0.294 484 G C -0.704 174.199 174.900 0.004 0.000 1.509 484 G CA 0.051 45.187 45.100 0.060 0.000 0.806 484 G HN 1.159 nan 8.290 nan 0.000 0.546 485 G N -1.629 107.136 108.800 -0.057 0.000 2.519 485 G HA2 0.935 4.895 3.960 -0.000 0.000 0.292 485 G HA3 0.935 4.895 3.960 -0.000 0.000 0.292 485 G C -0.193 174.671 174.900 -0.059 0.000 1.507 485 G CA 0.699 45.795 45.100 -0.007 0.000 0.806 485 G HN 2.040 nan 8.290 nan 0.000 0.523 486 G N -1.010 107.665 108.800 -0.208 0.000 2.588 486 G HA2 1.040 5.000 3.960 -0.000 0.000 0.281 486 G HA3 1.040 5.000 3.960 -0.000 0.000 0.281 486 G C -0.385 174.133 174.900 -0.636 0.000 1.223 486 G CA 0.999 45.974 45.100 -0.208 0.000 0.871 486 G HN 2.326 nan 8.290 nan 0.000 0.492 487 S N -2.378 113.055 115.700 -0.444 0.000 2.656 487 S HA 0.509 4.979 4.470 -0.000 0.000 0.265 487 S C -1.545 173.061 174.600 0.010 0.000 1.110 487 S CA -0.485 57.469 58.200 -0.410 0.000 0.821 487 S CB 1.080 64.036 63.200 -0.407 0.000 1.099 487 S HN 1.259 nan 8.310 nan 0.000 0.471 488 V N 3.013 122.954 119.914 0.045 0.000 2.432 488 V HA 0.454 4.574 4.120 -0.000 0.000 0.271 488 V C 0.399 176.439 176.094 -0.091 0.000 1.046 488 V CA -0.571 61.740 62.300 0.018 0.000 0.945 488 V CB 0.493 32.330 31.823 0.023 0.000 0.992 488 V HN 0.760 nan 8.190 nan 0.000 0.471 489 R N 4.369 124.755 120.500 -0.189 0.000 2.615 489 R HA 0.454 4.794 4.340 -0.000 0.000 0.270 489 R C -0.263 175.882 176.300 -0.259 0.000 1.081 489 R CA -0.567 55.379 56.100 -0.257 0.000 1.154 489 R CB 0.647 30.652 30.300 -0.491 0.000 1.063 489 R HN 0.548 nan 8.270 nan 0.000 0.519 490 I N 3.778 124.262 120.570 -0.142 0.000 2.416 490 I HA 0.012 4.182 4.170 -0.000 0.000 0.288 490 I C 1.577 177.670 176.117 -0.040 0.000 1.051 490 I CA -0.008 61.227 61.300 -0.107 0.000 1.375 490 I CB 0.503 38.425 38.000 -0.130 0.000 1.407 490 I HN 0.644 nan 8.210 nan 0.000 0.516 491 H N 5.140 124.172 119.070 -0.064 0.000 2.592 491 H HA 0.209 4.765 4.556 -0.000 0.000 0.279 491 H C -0.470 174.858 175.328 0.000 0.000 1.089 491 H CA -0.437 55.641 56.048 0.050 0.000 1.150 491 H CB 0.023 29.836 29.762 0.084 0.000 1.575 491 H HN 0.663 nan 8.280 nan 0.000 0.547 492 N N 0.587 119.070 118.700 -0.362 0.000 2.443 492 N HA 0.206 4.946 4.740 -0.000 0.000 0.269 492 N C 1.028 176.424 175.510 -0.188 0.000 0.985 492 N CA -0.177 52.697 53.050 -0.294 0.000 0.921 492 N CB 1.594 39.850 38.487 -0.385 0.000 1.195 492 N HN 0.172 nan 8.380 nan 0.000 0.492 493 G N 2.767 111.484 108.800 -0.139 0.000 2.491 493 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.218 493 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.218 493 G C 0.935 175.752 174.900 -0.138 0.000 1.180 493 G CA 0.946 45.969 45.100 -0.128 0.000 0.774 493 G HN 0.712 nan 8.290 nan 0.000 0.562 494 D N 0.051 120.380 120.400 -0.118 0.000 2.149 494 D HA -0.143 4.497 4.640 -0.000 0.000 0.198 494 D C 2.320 178.543 176.300 -0.128 0.000 0.990 494 D CA 1.395 55.334 54.000 -0.103 0.000 0.839 494 D CB -0.229 40.522 40.800 -0.082 0.000 0.948 494 D HN 0.312 nan 8.370 nan 0.000 0.460 495 M N 0.956 120.463 119.600 -0.155 0.000 2.067 495 M HA -0.187 4.293 4.480 -0.000 0.000 0.260 495 M C 2.063 178.229 176.300 -0.223 0.000 1.069 495 M CA 1.594 56.794 55.300 -0.167 0.000 1.117 495 M CB -0.601 31.888 32.600 -0.185 0.000 1.334 495 M HN -0.218 nan 8.290 nan 0.000 0.407 496 Q N 0.042 119.672 119.800 -0.284 0.000 2.248 496 Q HA -0.203 4.137 4.340 -0.000 0.000 0.208 496 Q C 1.903 177.459 176.000 -0.740 0.000 0.984 496 Q CA 2.024 57.532 55.803 -0.491 0.000 0.875 496 Q CB -0.254 28.226 28.738 -0.431 0.000 0.910 496 Q HN 0.755 nan 8.270 nan 0.000 0.433 497 Q N -1.657 117.914 119.800 -0.382 0.000 2.212 497 Q HA -0.039 4.301 4.340 -0.000 0.000 0.199 497 Q C 1.905 177.846 176.000 -0.099 0.000 0.950 497 Q CA 1.443 57.129 55.803 -0.196 0.000 0.863 497 Q CB 0.249 28.964 28.738 -0.038 0.000 0.944 497 Q HN 0.381 nan 8.270 nan 0.000 0.465 498 T N 0.959 115.444 114.554 -0.115 0.000 2.674 498 T HA -0.124 4.226 4.350 -0.000 0.000 0.265 498 T C 2.069 176.745 174.700 -0.041 0.000 1.039 498 T CA 1.315 63.381 62.100 -0.056 0.000 1.150 498 T CB -0.256 68.580 68.868 -0.054 0.000 0.864 498 T HN 0.032 nan 8.240 nan 0.000 0.427 499 V N 1.226 121.089 119.914 -0.085 0.000 2.324 499 V HA -0.176 3.944 4.120 -0.000 0.000 0.250 499 V C 2.266 178.393 176.094 0.055 0.000 1.060 499 V CA 1.639 63.939 62.300 0.000 0.000 1.042 499 V CB -0.824 30.950 31.823 -0.082 0.000 0.650 499 V HN 0.351 nan 8.190 nan 0.000 0.450 500 F N 1.433 121.352 119.950 -0.052 0.000 2.069 500 F HA -0.083 4.444 4.527 -0.000 0.000 0.298 500 F C 2.493 178.261 175.800 -0.054 0.000 1.113 500 F CA 1.316 59.288 58.000 -0.047 0.000 1.214 500 F CB -1.705 37.293 39.000 -0.002 0.000 0.978 500 F HN 0.213 nan 8.300 nan 0.000 0.474 501 G N 0.394 109.285 108.800 0.152 0.000 2.446 501 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 501 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 501 G C 1.866 176.749 174.900 -0.028 0.000 1.168 501 G CA 1.188 46.318 45.100 0.050 0.000 0.771 501 G HN 0.379 nan 8.290 nan 0.000 0.551 502 I N 0.126 120.650 120.570 -0.076 0.000 2.208 502 I HA -0.103 4.067 4.170 -0.000 0.000 0.245 502 I C 1.868 177.804 176.117 -0.302 0.000 1.097 502 I CA 0.425 61.588 61.300 -0.228 0.000 1.363 502 I CB -0.232 37.572 38.000 -0.327 0.000 1.051 502 I HN 0.037 nan 8.210 nan 0.000 0.413 503 L N 1.461 122.561 121.223 -0.205 0.000 2.737 503 L HA 0.082 4.422 4.340 -0.000 0.000 0.246 503 L C 1.765 178.591 176.870 -0.075 0.000 1.153 503 L CA 0.971 55.722 54.840 -0.148 0.000 0.920 503 L CB -1.587 40.472 42.059 -0.000 0.000 1.090 503 L HN 0.479 nan 8.230 nan 0.000 0.430 504 G N 0.278 109.033 108.800 -0.075 0.000 2.205 504 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.269 504 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.269 504 G C 0.784 175.669 174.900 -0.025 0.000 0.977 504 G CA 0.609 45.680 45.100 -0.048 0.000 0.652 504 G HN 0.488 nan 8.290 nan 0.000 0.539 505 I N 2.064 122.627 120.570 -0.011 0.000 2.329 505 I HA 0.263 4.433 4.170 -0.000 0.000 0.295 505 I C 0.787 176.899 176.117 -0.009 0.000 1.109 505 I CA -0.848 60.432 61.300 -0.033 0.000 1.297 505 I CB -0.178 37.764 38.000 -0.097 0.000 1.433 505 I HN 0.359 nan 8.210 nan 0.000 0.509 506 N N 5.896 124.588 118.700 -0.013 0.000 2.235 506 N HA -0.107 4.633 4.740 -0.000 0.000 0.231 506 N C 0.571 176.084 175.510 0.006 0.000 1.330 506 N CA 0.100 53.152 53.050 0.003 0.000 0.898 506 N CB 0.443 38.927 38.487 -0.006 0.000 1.151 506 N HN 0.616 nan 8.380 nan 0.000 0.472 507 E N -0.226 119.986 120.200 0.021 0.000 2.110 507 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 507 E C 1.367 177.974 176.600 0.011 0.000 0.988 507 E CA 0.945 57.363 56.400 0.030 0.000 0.804 507 E CB -0.024 29.696 29.700 0.034 0.000 0.745 507 E HN 0.746 nan 8.360 nan 0.000 0.458 508 E N 0.641 120.838 120.200 -0.004 0.000 2.047 508 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 508 E C 1.926 178.505 176.600 -0.035 0.000 0.987 508 E CA 1.347 57.739 56.400 -0.013 0.000 0.799 508 E CB 0.029 29.719 29.700 -0.015 0.000 0.752 508 E HN 0.375 nan 8.360 nan 0.000 0.449 509 E N 0.363 120.530 120.200 -0.055 0.000 2.106 509 E HA -0.234 4.116 4.350 -0.000 0.000 0.192 509 E C 2.198 178.716 176.600 -0.136 0.000 0.984 509 E CA 0.684 57.024 56.400 -0.100 0.000 0.806 509 E CB -0.392 29.245 29.700 -0.106 0.000 0.750 509 E HN 0.308 nan 8.360 nan 0.000 0.458 510 Q N 0.359 120.099 119.800 -0.100 0.000 2.029 510 Q HA -0.169 4.171 4.340 -0.000 0.000 0.209 510 Q C 2.415 178.406 176.000 -0.015 0.000 0.999 510 Q CA 1.648 57.400 55.803 -0.085 0.000 0.857 510 Q CB -0.063 28.703 28.738 0.046 0.000 0.926 510 Q HN 0.168 nan 8.270 nan 0.000 0.415 511 R N 0.376 120.883 120.500 0.012 0.000 2.120 511 R HA -0.076 4.264 4.340 -0.000 0.000 0.234 511 R C 1.981 178.283 176.300 0.004 0.000 1.123 511 R CA 0.818 56.937 56.100 0.033 0.000 0.975 511 R CB -0.450 29.873 30.300 0.037 0.000 0.866 511 R HN 0.324 nan 8.270 nan 0.000 0.446 512 E N 1.257 121.429 120.200 -0.046 0.000 2.028 512 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 512 E C 1.679 178.208 176.600 -0.118 0.000 0.988 512 E CA 1.336 57.697 56.400 -0.064 0.000 0.799 512 E CB 0.162 29.813 29.700 -0.083 0.000 0.755 512 E HN 0.405 nan 8.360 nan 0.000 0.447 513 K N -1.128 119.096 120.400 -0.292 0.000 2.262 513 K HA 0.017 4.337 4.320 -0.000 0.000 0.200 513 K C 1.002 177.144 176.600 -0.763 0.000 1.049 513 K CA 0.610 56.531 56.287 -0.611 0.000 0.979 513 K CB 0.260 32.151 32.500 -1.015 0.000 0.773 513 K HN 0.035 nan 8.250 nan 0.000 0.474 514 F N 0.146 120.055 119.950 -0.067 0.000 2.817 514 F HA 0.326 4.853 4.527 -0.000 0.000 0.319 514 F C 1.689 177.357 175.800 -0.220 0.000 1.136 514 F CA -0.898 56.992 58.000 -0.182 0.000 1.177 514 F CB 0.294 39.296 39.000 0.004 0.000 1.088 514 F HN -0.017 nan 8.300 nan 0.000 0.520 515 G N 1.493 110.325 108.800 0.054 0.000 2.491 515 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.218 515 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.218 515 G C 1.651 176.598 174.900 0.077 0.000 1.180 515 G CA 1.631 46.785 45.100 0.091 0.000 0.774 515 G HN 0.419 nan 8.290 nan 0.000 0.562 516 F N 0.942 120.946 119.950 0.091 0.000 2.171 516 F HA 0.064 4.591 4.527 -0.000 0.000 0.300 516 F C 2.165 178.013 175.800 0.080 0.000 1.090 516 F CA 1.063 59.109 58.000 0.076 0.000 1.293 516 F CB -0.982 38.045 39.000 0.046 0.000 1.013 516 F HN 0.144 nan 8.300 nan 0.000 0.486 517 L N 0.940 121.673 121.223 -0.818 0.000 2.027 517 L HA -0.058 4.282 4.340 -0.000 0.000 0.206 517 L C 2.137 178.911 176.870 -0.160 0.000 1.074 517 L CA 1.603 56.148 54.840 -0.492 0.000 0.745 517 L CB -0.879 40.795 42.059 -0.640 0.000 0.898 517 L HN 0.278 nan 8.230 nan 0.000 0.433 518 L N -0.300 120.877 121.223 -0.077 0.000 2.079 518 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 518 L C 2.296 179.156 176.870 -0.017 0.000 1.081 518 L CA 1.444 56.287 54.840 0.006 0.000 0.752 518 L CB -0.822 41.294 42.059 0.094 0.000 0.896 518 L HN 0.377 nan 8.230 nan 0.000 0.433 519 D N -0.051 120.361 120.400 0.021 0.000 2.117 519 D HA -0.132 4.508 4.640 -0.000 0.000 0.198 519 D C 2.235 178.543 176.300 0.014 0.000 0.982 519 D CA 1.396 55.417 54.000 0.035 0.000 0.828 519 D CB 0.006 40.896 40.800 0.149 0.000 0.967 519 D HN 0.305 nan 8.370 nan 0.000 0.464 520 A N 1.363 124.241 122.820 0.097 0.000 1.892 520 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 520 A C 2.347 179.948 177.584 0.028 0.000 1.188 520 A CA 1.100 53.227 52.037 0.150 0.000 0.631 520 A CB -1.036 18.029 19.000 0.109 0.000 0.822 520 A HN 0.246 nan 8.150 nan 0.000 0.447 521 L N -0.886 120.308 121.223 -0.048 0.000 2.450 521 L HA -0.182 4.158 4.340 -0.000 0.000 0.225 521 L C 1.802 178.576 176.870 -0.159 0.000 1.145 521 L CA 1.207 56.004 54.840 -0.071 0.000 0.801 521 L CB -0.351 41.667 42.059 -0.069 0.000 0.924 521 L HN 0.383 nan 8.230 nan 0.000 0.447 522 K N -0.839 119.342 120.400 -0.365 0.000 2.458 522 K HA 0.008 4.328 4.320 -0.000 0.000 0.194 522 K C -0.211 175.980 176.600 -0.682 0.000 1.024 522 K CA 0.295 56.233 56.287 -0.581 0.000 1.108 522 K CB 0.292 32.301 32.500 -0.817 0.000 0.846 522 K HN 0.238 nan 8.250 nan 0.000 0.518 523 Y N 0.013 120.323 120.300 0.018 0.000 2.699 523 Y HA 0.275 4.824 4.550 -0.000 0.000 0.282 523 Y C 0.794 176.705 175.900 0.018 0.000 1.058 523 Y CA -0.913 57.197 58.100 0.017 0.000 1.194 523 Y CB 0.997 39.467 38.460 0.016 0.000 1.193 523 Y HN 0.146 nan 8.280 nan 0.000 0.562 524 G N 0.504 109.369 108.800 0.109 0.000 2.167 524 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.194 524 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.194 524 G C 0.182 175.123 174.900 0.068 0.000 1.027 524 G CA -0.019 45.137 45.100 0.094 0.000 0.717 524 G HN 0.503 nan 8.290 nan 0.000 0.501 525 T N 1.775 116.364 114.554 0.058 0.000 2.871 525 T HA 0.467 4.817 4.350 -0.000 0.000 0.296 525 T C -0.946 173.767 174.700 0.022 0.000 0.998 525 T CA 0.106 62.222 62.100 0.027 0.000 1.162 525 T CB 0.964 69.876 68.868 0.074 0.000 0.947 525 T HN 0.356 nan 8.240 nan 0.000 0.536 526 P HA 0.451 nan 4.420 nan 0.000 0.280 526 P C -2.891 174.190 177.300 -0.365 0.000 1.272 526 P CA -2.324 60.569 63.100 -0.345 0.000 0.819 526 P CB 0.295 31.535 31.700 -0.768 0.000 1.122 527 P HA 0.117 nan 4.420 nan 0.000 0.271 527 P C -0.585 176.598 177.300 -0.196 0.000 1.216 527 P CA 0.793 63.584 63.100 -0.514 0.000 0.771 527 P CB 0.165 31.563 31.700 -0.502 0.000 0.864 528 H N 0.786 119.731 119.070 -0.208 0.000 2.961 528 H HA 0.846 5.402 4.556 -0.000 0.000 0.371 528 H C -1.730 173.601 175.328 0.006 0.000 1.190 528 H CA -1.356 54.629 56.048 -0.106 0.000 1.138 528 H CB 1.746 31.452 29.762 -0.093 0.000 1.816 528 H HN 0.572 nan 8.280 nan 0.000 0.551 529 A N 0.670 123.559 122.820 0.116 0.000 2.604 529 A HA 0.778 5.098 4.320 -0.000 0.000 0.295 529 A C -0.674 177.046 177.584 0.227 0.000 1.067 529 A CA -0.124 51.994 52.037 0.134 0.000 0.683 529 A CB 1.812 20.894 19.000 0.138 0.000 1.281 529 A HN 1.263 nan 8.150 nan 0.000 0.407 530 G N -0.831 108.125 108.800 0.260 0.000 2.815 530 G HA2 0.822 4.782 3.960 -0.000 0.000 0.305 530 G HA3 0.822 4.782 3.960 -0.000 0.000 0.305 530 G C -1.441 173.626 174.900 0.279 0.000 1.277 530 G CA 0.108 45.386 45.100 0.296 0.000 0.795 530 G HN 1.948 nan 8.290 nan 0.000 0.528 531 L N -1.841 119.515 121.223 0.222 0.000 2.940 531 L HA 0.821 5.160 4.340 -0.000 0.000 0.270 531 L C -1.588 175.314 176.870 0.054 0.000 1.030 531 L CA -0.707 54.199 54.840 0.111 0.000 0.928 531 L CB 1.813 43.940 42.059 0.114 0.000 1.506 531 L HN 1.476 nan 8.230 nan 0.000 0.405 532 A N 1.697 124.497 122.820 -0.034 0.000 2.408 532 A HA 0.771 5.091 4.320 -0.000 0.000 0.295 532 A C -1.694 175.878 177.584 -0.020 0.000 1.040 532 A CA -0.277 51.781 52.037 0.034 0.000 0.707 532 A CB 0.880 19.948 19.000 0.114 0.000 1.235 532 A HN 0.460 nan 8.150 nan 0.000 0.418 533 F N 1.087 121.116 119.950 0.132 0.000 2.397 533 F HA 0.563 5.090 4.527 -0.000 0.000 0.331 533 F C 1.280 177.146 175.800 0.109 0.000 1.090 533 F CA -0.081 57.983 58.000 0.106 0.000 1.065 533 F CB 1.885 40.931 39.000 0.077 0.000 1.184 533 F HN 0.642 nan 8.300 nan 0.000 0.499 534 G N 2.829 111.830 108.800 0.334 0.000 2.391 534 G HA2 0.322 4.282 3.960 -0.000 0.000 0.305 534 G HA3 0.322 4.282 3.960 -0.000 0.000 0.305 534 G C 0.643 175.645 174.900 0.170 0.000 1.072 534 G CA -0.296 44.941 45.100 0.228 0.000 1.016 534 G HN 0.723 nan 8.290 nan 0.000 0.418 535 L N 2.290 123.601 121.223 0.147 0.000 2.079 535 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 535 L C 2.079 178.964 176.870 0.025 0.000 1.081 535 L CA 1.960 56.839 54.840 0.064 0.000 0.752 535 L CB -0.239 41.848 42.059 0.047 0.000 0.896 535 L HN 0.537 nan 8.230 nan 0.000 0.433 536 D N -0.676 119.752 120.400 0.046 0.000 2.087 536 D HA -0.211 4.429 4.640 -0.000 0.000 0.192 536 D C 2.165 178.446 176.300 -0.031 0.000 0.993 536 D CA 1.036 55.040 54.000 0.007 0.000 0.828 536 D CB -0.236 40.579 40.800 0.025 0.000 0.968 536 D HN 0.240 nan 8.370 nan 0.000 0.448 537 R N 0.519 121.001 120.500 -0.030 0.000 2.103 537 R HA -0.125 4.215 4.340 -0.000 0.000 0.242 537 R C 2.404 178.674 176.300 -0.050 0.000 1.142 537 R CA 0.508 56.558 56.100 -0.083 0.000 0.960 537 R CB -0.946 29.311 30.300 -0.071 0.000 0.858 537 R HN 0.181 nan 8.270 nan 0.000 0.439 538 L N 0.270 121.490 121.223 -0.005 0.000 2.042 538 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 538 L C 2.188 178.997 176.870 -0.102 0.000 1.076 538 L CA 1.947 56.782 54.840 -0.008 0.000 0.749 538 L CB -0.918 41.109 42.059 -0.053 0.000 0.893 538 L HN 0.176 nan 8.230 nan 0.000 0.432 539 T N -1.438 113.055 114.554 -0.102 0.000 2.904 539 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 539 T C 1.917 176.551 174.700 -0.111 0.000 1.059 539 T CA 1.180 63.204 62.100 -0.127 0.000 1.137 539 T CB -0.081 68.728 68.868 -0.098 0.000 0.879 539 T HN 0.225 nan 8.240 nan 0.000 0.467 540 M N 0.640 120.185 119.600 -0.091 0.000 2.064 540 M HA 0.025 4.505 4.480 -0.000 0.000 0.260 540 M C 2.255 178.529 176.300 -0.044 0.000 1.073 540 M CA 1.637 56.886 55.300 -0.084 0.000 1.124 540 M CB -0.689 31.835 32.600 -0.128 0.000 1.326 540 M HN 0.170 nan 8.290 nan 0.000 0.410 541 L N 0.203 121.422 121.223 -0.007 0.000 2.042 541 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 541 L C 2.273 179.216 176.870 0.121 0.000 1.076 541 L CA 1.176 56.118 54.840 0.170 0.000 0.749 541 L CB -0.677 41.594 42.059 0.354 0.000 0.893 541 L HN 0.347 nan 8.230 nan 0.000 0.432 542 L N -0.508 120.618 121.223 -0.162 0.000 2.551 542 L HA -0.073 4.267 4.340 -0.000 0.000 0.228 542 L C 1.495 178.246 176.870 -0.199 0.000 1.153 542 L CA 1.080 55.691 54.840 -0.382 0.000 0.851 542 L CB -0.538 41.164 42.059 -0.594 0.000 0.959 542 L HN 0.456 nan 8.230 nan 0.000 0.451 543 T N -5.410 109.087 114.554 -0.095 0.000 3.288 543 T HA 0.330 4.680 4.350 -0.000 0.000 0.293 543 T C 1.226 175.912 174.700 -0.023 0.000 1.008 543 T CA 0.219 62.276 62.100 -0.072 0.000 0.929 543 T CB 0.843 69.657 68.868 -0.090 0.000 1.152 543 T HN 0.277 nan 8.240 nan 0.000 0.517 544 G N 1.631 110.447 108.800 0.028 0.000 2.186 544 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.266 544 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.266 544 G C 0.211 175.115 174.900 0.006 0.000 0.982 544 G CA 0.547 45.667 45.100 0.034 0.000 0.670 544 G HN 0.757 nan 8.290 nan 0.000 0.533 545 T N 0.906 115.452 114.554 -0.013 0.000 2.910 545 T HA 0.462 4.812 4.350 -0.000 0.000 0.293 545 T C 1.058 175.742 174.700 -0.027 0.000 1.015 545 T CA 0.324 62.408 62.100 -0.027 0.000 1.094 545 T CB 1.257 70.098 68.868 -0.045 0.000 0.968 545 T HN 0.292 nan 8.240 nan 0.000 0.521 546 D N 0.607 120.994 120.400 -0.022 0.000 2.422 546 D HA 0.017 4.657 4.640 -0.000 0.000 0.218 546 D C 0.408 176.693 176.300 -0.024 0.000 1.047 546 D CA -0.012 53.981 54.000 -0.013 0.000 0.885 546 D CB 0.106 40.912 40.800 0.010 0.000 1.035 546 D HN 0.373 nan 8.370 nan 0.000 0.502 547 N N 1.415 120.098 118.700 -0.028 0.000 2.485 547 N HA 0.114 4.854 4.740 -0.000 0.000 0.243 547 N C 0.696 176.183 175.510 -0.039 0.000 0.987 547 N CA -0.364 52.669 53.050 -0.028 0.000 0.940 547 N CB 1.176 39.649 38.487 -0.023 0.000 1.122 547 N HN -0.042 nan 8.380 nan 0.000 0.509 548 I N 3.459 124.005 120.570 -0.039 0.000 2.399 548 I HA -0.293 3.877 4.170 -0.000 0.000 0.254 548 I C 1.517 177.614 176.117 -0.034 0.000 1.146 548 I CA 1.314 62.589 61.300 -0.041 0.000 1.412 548 I CB 0.189 38.167 38.000 -0.036 0.000 1.076 548 I HN 0.568 nan 8.210 nan 0.000 0.432 549 R N 0.193 120.675 120.500 -0.029 0.000 2.189 549 R HA -0.153 4.187 4.340 -0.000 0.000 0.223 549 R C 1.465 177.733 176.300 -0.052 0.000 1.092 549 R CA 1.497 57.579 56.100 -0.030 0.000 0.989 549 R CB -0.429 29.858 30.300 -0.022 0.000 0.876 549 R HN 0.394 nan 8.270 nan 0.000 0.457 550 D N -0.002 120.365 120.400 -0.054 0.000 2.269 550 D HA -0.092 4.548 4.640 -0.000 0.000 0.208 550 D C 1.522 177.776 176.300 -0.077 0.000 0.963 550 D CA 0.818 54.779 54.000 -0.066 0.000 0.864 550 D CB 0.401 41.166 40.800 -0.057 0.000 0.936 550 D HN 0.181 nan 8.370 nan 0.000 0.505 551 V N -1.850 118.022 119.914 -0.070 0.000 3.621 551 V HA 0.334 4.454 4.120 -0.000 0.000 0.285 551 V C 0.501 176.552 176.094 -0.072 0.000 1.346 551 V CA -0.209 62.047 62.300 -0.073 0.000 1.104 551 V CB -0.253 31.529 31.823 -0.067 0.000 0.913 551 V HN -0.084 nan 8.190 nan 0.000 0.432 552 I N 0.750 121.277 120.570 -0.073 0.000 2.474 552 I HA 0.677 4.846 4.170 -0.000 0.000 0.294 552 I C 1.501 177.533 176.117 -0.142 0.000 1.005 552 I CA -0.168 61.090 61.300 -0.069 0.000 1.113 552 I CB 1.942 39.928 38.000 -0.024 0.000 1.289 552 I HN 0.057 nan 8.210 nan 0.000 0.436 553 A N 5.874 128.571 122.820 -0.205 0.000 1.858 553 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 553 A C 0.716 177.840 177.584 -0.767 0.000 1.190 553 A CA 1.576 53.303 52.037 -0.516 0.000 0.617 553 A CB -0.192 18.459 19.000 -0.582 0.000 0.827 553 A HN 0.560 nan 8.150 nan 0.000 0.443 554 F N 1.112 121.061 119.950 -0.001 0.000 2.453 554 F HA 0.350 4.877 4.527 -0.000 0.000 0.358 554 F C -2.304 173.497 175.800 0.001 0.000 1.129 554 F CA -2.888 55.114 58.000 0.003 0.000 1.200 554 F CB 0.963 39.969 39.000 0.010 0.000 1.431 554 F HN 0.093 nan 8.300 nan 0.000 0.503 555 P HA 0.248 nan 4.420 nan 0.000 0.279 555 P C -0.547 176.798 177.300 0.075 0.000 1.252 555 P CA -0.541 62.597 63.100 0.064 0.000 0.811 555 P CB 1.649 33.360 31.700 0.017 0.000 1.035 556 K N 0.395 120.834 120.400 0.064 0.000 2.123 556 K HA 0.348 4.668 4.320 -0.000 0.000 0.248 556 K C 0.916 177.542 176.600 0.042 0.000 0.969 556 K CA -0.328 55.992 56.287 0.056 0.000 0.882 556 K CB 1.080 33.618 32.500 0.062 0.000 1.080 556 K HN 0.569 nan 8.250 nan 0.000 0.441 557 T N -2.000 112.574 114.554 0.034 0.000 2.715 557 T HA 0.013 4.363 4.350 -0.000 0.000 0.320 557 T C 1.255 175.974 174.700 0.032 0.000 1.046 557 T CA 0.070 62.185 62.100 0.026 0.000 0.983 557 T CB 0.102 68.981 68.868 0.019 0.000 1.183 557 T HN 0.464 nan 8.240 nan 0.000 0.522 558 T N 0.499 115.069 114.554 0.027 0.000 3.113 558 T HA 0.212 4.562 4.350 -0.000 0.000 0.263 558 T C 1.651 176.372 174.700 0.035 0.000 1.143 558 T CA 0.688 62.805 62.100 0.029 0.000 1.090 558 T CB -0.475 68.407 68.868 0.023 0.000 0.922 558 T HN 0.779 nan 8.240 nan 0.000 0.521 559 A N 0.393 123.233 122.820 0.033 0.000 2.460 559 A HA 0.737 5.057 4.320 -0.000 0.000 0.258 559 A C 1.446 179.058 177.584 0.046 0.000 1.300 559 A CA 0.434 52.492 52.037 0.034 0.000 0.913 559 A CB -0.509 18.505 19.000 0.023 0.000 1.031 559 A HN 0.684 nan 8.150 nan 0.000 0.512 560 A N -2.159 120.696 122.820 0.058 0.000 2.905 560 A HA 0.093 4.412 4.320 -0.000 0.000 0.260 560 A C 0.658 178.274 177.584 0.054 0.000 1.398 560 A CA 0.990 53.074 52.037 0.077 0.000 0.840 560 A CB -2.093 16.973 19.000 0.111 0.000 1.059 560 A HN 2.159 nan 8.150 nan 0.000 0.647 561 A N -1.194 121.647 122.820 0.036 0.000 2.337 561 A HA 0.639 4.959 4.320 -0.000 0.000 0.329 561 A C 0.150 177.746 177.584 0.020 0.000 1.146 561 A CA 0.204 52.252 52.037 0.019 0.000 0.800 561 A CB 1.234 20.237 19.000 0.005 0.000 1.220 561 A HN 1.738 nan 8.150 nan 0.000 0.472 562 C N 4.331 123.639 119.300 0.013 0.000 2.223 562 C HA 0.465 4.925 4.460 -0.000 0.000 0.324 562 C C 1.470 176.459 174.990 -0.002 0.000 1.196 562 C CA -0.573 58.456 59.018 0.018 0.000 1.628 562 C CB -1.760 25.989 27.740 0.015 0.000 2.229 562 C HN 0.822 nan 8.230 nan 0.000 0.486 563 L N 5.117 126.337 121.223 -0.005 0.000 2.291 563 L HA -0.095 4.245 4.340 -0.000 0.000 0.214 563 L C 2.420 179.254 176.870 -0.060 0.000 1.120 563 L CA 1.099 55.920 54.840 -0.033 0.000 0.799 563 L CB -0.466 41.569 42.059 -0.041 0.000 0.925 563 L HN 0.803 nan 8.230 nan 0.000 0.446 564 M N 0.003 119.582 119.600 -0.036 0.000 2.288 564 M HA -0.114 4.366 4.480 -0.000 0.000 0.266 564 M C 1.812 178.103 176.300 -0.015 0.000 1.072 564 M CA 1.964 57.245 55.300 -0.032 0.000 1.132 564 M CB 0.082 32.718 32.600 0.061 0.000 1.386 564 M HN 0.285 nan 8.290 nan 0.000 0.432 565 T N -3.762 110.780 114.554 -0.019 0.000 3.043 565 T HA 0.273 4.623 4.350 -0.000 0.000 0.272 565 T C -0.168 174.515 174.700 -0.028 0.000 0.990 565 T CA -0.171 61.913 62.100 -0.027 0.000 0.897 565 T CB 0.001 68.843 68.868 -0.043 0.000 1.111 565 T HN 0.557 nan 8.240 nan 0.000 0.529 566 E N 0.664 120.846 120.200 -0.029 0.000 2.442 566 E HA -0.048 4.302 4.350 -0.000 0.000 0.177 566 E C -0.358 176.218 176.600 -0.039 0.000 1.505 566 E CA 0.211 56.591 56.400 -0.032 0.000 0.662 566 E CB -1.662 28.021 29.700 -0.029 0.000 1.117 566 E HN 0.835 nan 8.360 nan 0.000 0.375 567 A N 2.183 124.981 122.820 -0.035 0.000 2.435 567 A HA 0.827 5.147 4.320 -0.000 0.000 0.304 567 A C -2.367 175.197 177.584 -0.033 0.000 1.064 567 A CA -1.327 50.688 52.037 -0.038 0.000 0.727 567 A CB 1.422 20.406 19.000 -0.026 0.000 1.284 567 A HN 0.109 nan 8.150 nan 0.000 0.415 568 P HA 0.458 nan 4.420 nan 0.000 0.276 568 P C -0.272 176.952 177.300 -0.126 0.000 1.261 568 P CA -0.033 63.031 63.100 -0.059 0.000 0.800 568 P CB 1.357 33.035 31.700 -0.038 0.000 1.066 569 S N -1.208 114.408 115.700 -0.140 0.000 2.705 569 S HA 0.610 5.080 4.470 -0.000 0.000 0.280 569 S C -0.710 173.764 174.600 -0.210 0.000 1.174 569 S CA -0.749 57.313 58.200 -0.231 0.000 0.823 569 S CB 0.351 63.487 63.200 -0.107 0.000 1.162 569 S HN 0.145 nan 8.310 nan 0.000 0.487 570 F N 1.552 121.513 119.950 0.019 0.000 2.429 570 F HA 0.641 5.168 4.527 -0.000 0.000 0.348 570 F C 1.103 176.913 175.800 0.017 0.000 1.109 570 F CA -0.014 57.998 58.000 0.019 0.000 1.232 570 F CB 0.531 39.541 39.000 0.017 0.000 1.157 570 F HN 0.900 nan 8.300 nan 0.000 0.564 571 A N 2.987 125.934 122.820 0.212 0.000 2.279 571 A HA 0.440 4.760 4.320 -0.000 0.000 0.303 571 A C -0.223 177.422 177.584 0.102 0.000 1.108 571 A CA -1.034 51.075 52.037 0.119 0.000 0.830 571 A CB 0.271 19.325 19.000 0.090 0.000 1.106 571 A HN 0.748 nan 8.150 nan 0.000 0.493 572 N N 1.757 120.496 118.700 0.065 0.000 2.475 572 N HA 0.116 4.856 4.740 -0.000 0.000 0.267 572 N C -2.489 173.042 175.510 0.034 0.000 1.169 572 N CA -1.373 51.703 53.050 0.044 0.000 0.947 572 N CB 0.409 38.914 38.487 0.029 0.000 1.061 572 N HN 0.164 nan 8.380 nan 0.000 0.466 573 P HA -0.190 nan 4.420 nan 0.000 0.218 573 P C 1.115 178.422 177.300 0.012 0.000 1.152 573 P CA 1.812 64.921 63.100 0.015 0.000 0.857 573 P CB 0.152 31.852 31.700 0.002 0.000 0.787 574 T N -0.500 114.060 114.554 0.010 0.000 2.607 574 T HA -0.254 4.096 4.350 -0.000 0.000 0.267 574 T C 1.872 176.576 174.700 0.006 0.000 1.049 574 T CA 1.992 64.095 62.100 0.005 0.000 1.162 574 T CB -1.199 67.671 68.868 0.004 0.000 0.863 574 T HN 0.093 nan 8.240 nan 0.000 0.424 575 A N 1.435 124.261 122.820 0.011 0.000 1.903 575 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 575 A C 2.345 179.936 177.584 0.012 0.000 1.191 575 A CA 1.648 53.692 52.037 0.011 0.000 0.638 575 A CB -1.073 17.938 19.000 0.020 0.000 0.823 575 A HN 0.521 nan 8.150 nan 0.000 0.451 576 L N -1.308 119.928 121.223 0.021 0.000 2.191 576 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 576 L C 3.029 179.906 176.870 0.011 0.000 1.103 576 L CA 0.946 55.800 54.840 0.024 0.000 0.769 576 L CB -0.700 41.381 42.059 0.037 0.000 0.908 576 L HN 0.516 nan 8.230 nan 0.000 0.438 577 A N 0.335 123.158 122.820 0.005 0.000 1.872 577 A HA -0.170 4.150 4.320 -0.000 0.000 0.214 577 A C 2.087 179.665 177.584 -0.010 0.000 1.187 577 A CA 1.187 53.223 52.037 -0.002 0.000 0.614 577 A CB -0.336 18.663 19.000 -0.002 0.000 0.826 577 A HN 0.420 nan 8.150 nan 0.000 0.442 578 E N -0.504 119.689 120.200 -0.012 0.000 2.338 578 E HA -0.069 4.281 4.350 -0.000 0.000 0.197 578 E C 0.825 177.406 176.600 -0.032 0.000 1.007 578 E CA 0.298 56.685 56.400 -0.021 0.000 0.849 578 E CB -0.037 29.652 29.700 -0.018 0.000 0.774 578 E HN 0.320 nan 8.360 nan 0.000 0.506 579 L N 0.076 121.282 121.223 -0.029 0.000 2.592 579 L HA 0.122 4.462 4.340 -0.000 0.000 0.227 579 L C 0.974 177.807 176.870 -0.062 0.000 1.127 579 L CA 0.497 55.306 54.840 -0.052 0.000 0.884 579 L CB -0.447 41.590 42.059 -0.037 0.000 1.065 579 L HN -0.020 nan 8.230 nan 0.000 0.457 580 S N 0.371 116.050 115.700 -0.036 0.000 3.521 580 S HA -0.217 4.253 4.470 -0.000 0.000 0.328 580 S C 0.324 174.921 174.600 -0.004 0.000 1.165 580 S CA 1.177 59.362 58.200 -0.025 0.000 0.941 580 S CB -1.654 61.521 63.200 -0.041 0.000 0.951 580 S HN 0.494 nan 8.310 nan 0.000 0.539 581 I N -1.012 119.565 120.570 0.012 0.000 2.934 581 I HA 0.845 5.015 4.170 -0.000 0.000 0.306 581 I C -0.695 175.452 176.117 0.050 0.000 1.110 581 I CA -1.046 60.284 61.300 0.050 0.000 1.019 581 I CB 2.064 40.117 38.000 0.089 0.000 1.227 581 I HN 0.291 nan 8.210 nan 0.000 0.434 582 Q N 2.763 122.598 119.800 0.059 0.000 2.456 582 Q HA 0.733 5.073 4.340 -0.000 0.000 0.283 582 Q C -1.723 174.312 176.000 0.059 0.000 1.084 582 Q CA -1.163 54.670 55.803 0.049 0.000 0.801 582 Q CB 2.469 31.226 28.738 0.033 0.000 1.434 582 Q HN 0.558 nan 8.270 nan 0.000 0.419 583 V N 1.770 121.717 119.914 0.056 0.000 2.498 583 V HA 0.174 4.294 4.120 -0.000 0.000 0.279 583 V C 0.536 176.656 176.094 0.044 0.000 1.048 583 V CA -0.644 61.693 62.300 0.063 0.000 0.967 583 V CB 1.166 33.036 31.823 0.079 0.000 0.988 583 V HN 0.688 nan 8.190 nan 0.000 0.473 584 V N 2.277 122.217 119.914 0.043 0.000 2.008 584 V HA 0.285 4.405 4.120 -0.000 0.000 0.262 584 V C 0.564 176.676 176.094 0.030 0.000 1.580 584 V CA -0.686 61.632 62.300 0.031 0.000 1.515 584 V CB -1.242 30.596 31.823 0.026 0.000 1.474 584 V HN 0.794 nan 8.190 nan 0.000 0.504 585 K N 2.974 123.390 120.400 0.027 0.000 2.361 585 K HA 0.089 4.409 4.320 -0.000 0.000 0.283 585 K C 0.321 176.931 176.600 0.017 0.000 1.078 585 K CA 0.286 56.587 56.287 0.024 0.000 1.041 585 K CB 0.417 32.920 32.500 0.004 0.000 0.932 585 K HN 0.667 nan 8.250 nan 0.000 0.462 586 K N 2.148 122.560 120.400 0.020 0.000 2.322 586 K HA 0.141 4.461 4.320 -0.000 0.000 0.283 586 K C -0.584 176.023 176.600 0.011 0.000 1.042 586 K CA -0.290 56.006 56.287 0.015 0.000 0.958 586 K CB 0.744 33.253 32.500 0.016 0.000 0.984 586 K HN 0.590 nan 8.250 nan 0.000 0.473 587 A N 4.589 127.413 122.820 0.007 0.000 2.478 587 A HA 0.193 4.513 4.320 -0.000 0.000 0.327 587 A C -0.583 177.005 177.584 0.006 0.000 1.431 587 A CA -0.466 51.574 52.037 0.005 0.000 1.014 587 A CB 0.280 19.281 19.000 0.002 0.000 1.143 587 A HN 0.818 nan 8.150 nan 0.000 0.532 588 E N 1.227 121.431 120.200 0.007 0.000 2.232 588 E HA 0.262 4.612 4.350 -0.000 0.000 0.264 588 E C 1.191 177.795 176.600 0.006 0.000 0.973 588 E CA -0.514 55.891 56.400 0.007 0.000 0.849 588 E CB 0.690 30.395 29.700 0.009 0.000 1.198 588 E HN 0.580 nan 8.360 nan 0.000 0.407 589 N N 2.140 120.843 118.700 0.005 0.000 2.417 589 N HA -0.242 4.498 4.740 -0.000 0.000 0.187 589 N C 0.166 175.680 175.510 0.006 0.000 1.027 589 N CA 0.909 53.961 53.050 0.005 0.000 0.891 589 N CB -0.724 37.765 38.487 0.004 0.000 0.956 589 N HN 0.549 nan 8.380 nan 0.000 0.442 590 N N 0.000 118.704 118.700 0.007 0.000 1.763 590 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 590 N CA 0.000 53.055 53.050 0.009 0.000 0.885 590 N CB 0.000 38.493 38.487 0.009 0.000 1.341 590 N HN 0.000 nan 8.380 nan 0.000 0.667