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 2a0z_1_A DATA FIRST_RESID 26 DATA SEQUENCE TKcTVSHEVA DcSHLKLTQV PDDLPTNITV LNLTHNQLRR LPAANFTRYS DATA SEQUENCE QLTSLDVGFN TISKLEPELc QKLPMLKVLN LQHNELSQLS DKTFAFcTNL DATA SEQUENCE TELHLMSNSI QKIKNNPFVK QKNLITLDLS HNGLSSTKLG TQVQLENLQE DATA SEQUENCE LLLSNNKIQA LKSEELDIFA NSSLKKLELS SNQIKEFSPG CFHAIGRLFG DATA SEQUENCE LFLNNVQLGP SLTEKLCLEL ANTSIRNLSL SNSQLSTTSN TTFLGLKWTN DATA SEQUENCE LTMLDLSYNN LNVVGNDSFA WLPQLEYFFL EYNNIQHLFS HSLHGLFNVR DATA SEQUENCE YLNLKRSFTK QSISLASLPK IDDFSFQWLK CLEHLNMEDN DIPGIKSNMF DATA SEQUENCE TGLINLKYLS LSNSFTSLRT LTNETFVSLA HSPLHILNLT KNKISKIESD DATA SEQUENCE AFSWLGHLEV LDLGLNEIGQ ELTGQEWRGL ENIFEIYLSY NKYLQLTRNS DATA SEQUENCE FALVPSLQRL MLRRVALKNV DSSPSPFQPL RNLTILDLSN NNIANINDDM DATA SEQUENCE LEGLEKLEIL DLQHNNLARL WKHANPGGPI YFLKGLSHLH ILNLESNGFD DATA SEQUENCE EIPVEVFKDL FELKIIDLGL NNLNTLPASV FNNQVSLKSL NLQKNLITSV DATA SEQUENCE EKKVFGPAFR NLTELDMRFN PFDcTcESIA WFVNWINETH TNIPELSSHY DATA SEQUENCE LcNTPPHYHG FPVRLFDTSS c 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 26 T HA 0.000 nan 4.350 nan 0.000 0.228 26 T C 0.000 174.704 174.700 0.006 0.000 1.109 26 T CA 0.000 62.102 62.100 0.004 0.000 1.349 26 T CB 0.000 68.868 68.868 -0.000 0.000 0.612 27 K N 0.202 120.605 120.400 0.004 0.000 2.430 27 K HA 0.810 5.143 4.320 0.021 0.000 0.268 27 K C -0.973 175.629 176.600 0.003 0.000 1.043 27 K CA -0.930 55.360 56.287 0.004 0.000 0.899 27 K CB 1.301 33.801 32.500 0.001 0.000 1.472 27 K HN 0.237 nan 8.250 nan 0.000 0.451 28 c N 1.867 120.467 118.600 -0.000 0.000 2.652 28 c HA 0.384 4.967 4.570 0.021 0.000 0.412 28 c C 0.333 174.419 174.090 -0.006 0.000 1.294 28 c CA -0.246 56.080 56.329 -0.004 0.000 2.127 28 c CB -0.110 42.392 42.510 -0.015 0.000 2.691 28 c HN 0.703 nan 8.230 nan 0.000 0.615 29 T N 0.026 114.577 114.554 -0.005 0.000 2.772 29 T HA 0.565 4.928 4.350 0.021 0.000 0.288 29 T C -0.621 174.074 174.700 -0.008 0.000 0.994 29 T CA -0.568 61.528 62.100 -0.006 0.000 0.951 29 T CB 0.756 69.623 68.868 -0.002 0.000 0.933 29 T HN 0.756 nan 8.240 nan 0.000 0.447 30 V N 0.937 120.843 119.914 -0.014 0.000 2.370 30 V HA 0.833 4.965 4.120 0.021 0.000 0.279 30 V C -0.266 175.810 176.094 -0.029 0.000 1.029 30 V CA -0.616 61.673 62.300 -0.017 0.000 0.870 30 V CB 0.996 32.807 31.823 -0.020 0.000 0.984 30 V HN 0.942 nan 8.190 nan 0.000 0.451 31 S N 4.416 120.108 115.700 -0.013 0.000 2.736 31 S HA 0.538 5.020 4.470 0.021 0.000 0.285 31 S C -0.355 174.276 174.600 0.051 0.000 1.163 31 S CA -0.398 57.786 58.200 -0.026 0.000 1.025 31 S CB 0.383 63.607 63.200 0.040 0.000 1.030 31 S HN 1.027 nan 8.310 nan 0.000 0.486 32 H N 2.386 121.458 119.070 0.002 0.000 2.748 32 H HA -0.137 4.431 4.556 0.021 0.000 0.322 32 H C 0.189 175.521 175.328 0.006 0.000 1.208 32 H CA 1.061 57.111 56.048 0.004 0.000 1.151 32 H CB -1.441 28.323 29.762 0.003 0.000 1.505 32 H HN 1.007 nan 8.280 nan 0.000 0.429 33 E N -2.653 117.582 120.200 0.059 0.000 2.971 33 E HA -0.193 4.170 4.350 0.021 0.000 0.278 33 E C -0.414 176.209 176.600 0.038 0.000 1.009 33 E CA 0.817 57.244 56.400 0.044 0.000 0.862 33 E CB -0.925 28.807 29.700 0.054 0.000 1.436 33 E HN 0.226 nan 8.360 nan 0.000 0.434 34 V N 0.686 120.624 119.914 0.040 0.000 2.357 34 V HA 0.584 4.717 4.120 0.021 0.000 0.284 34 V C 0.252 176.351 176.094 0.007 0.000 1.018 34 V CA -0.045 62.271 62.300 0.027 0.000 0.841 34 V CB 1.630 33.479 31.823 0.043 0.000 0.991 34 V HN 0.277 nan 8.190 nan 0.000 0.437 35 A N 3.296 126.108 122.820 -0.014 0.000 2.260 35 A HA 0.581 4.913 4.320 0.021 0.000 0.312 35 A C -0.337 177.237 177.584 -0.018 0.000 1.321 35 A CA -0.351 51.667 52.037 -0.030 0.000 0.928 35 A CB 0.373 19.327 19.000 -0.077 0.000 1.158 35 A HN 0.765 nan 8.150 nan 0.000 0.542 36 D N 2.350 122.747 120.400 -0.005 0.000 2.428 36 D HA 0.349 5.002 4.640 0.021 0.000 0.221 36 D C -0.214 176.091 176.300 0.008 0.000 1.123 36 D CA -0.202 53.803 54.000 0.009 0.000 0.869 36 D CB 0.445 41.255 40.800 0.017 0.000 1.032 36 D HN 0.324 nan 8.370 nan 0.000 0.506 37 c N 3.388 121.993 118.600 0.009 0.000 2.638 37 c HA 0.285 4.867 4.570 0.021 0.000 0.282 37 c C 0.677 174.783 174.090 0.027 0.000 1.473 37 c CA -0.619 55.717 56.329 0.011 0.000 1.781 37 c CB -1.854 40.651 42.510 -0.008 0.000 2.780 37 c HN 0.606 nan 8.230 nan 0.000 0.531 38 S N -0.563 115.164 115.700 0.045 0.000 2.584 38 S HA 0.420 4.902 4.470 0.021 0.000 0.273 38 S C -0.020 174.646 174.600 0.110 0.000 1.311 38 S CA 0.133 58.364 58.200 0.053 0.000 1.034 38 S CB 0.020 63.277 63.200 0.094 0.000 0.939 38 S HN 0.700 nan 8.310 nan 0.000 0.513 39 H N -0.229 118.862 119.070 0.035 0.000 2.692 39 H HA -0.111 4.457 4.556 0.021 0.000 0.316 39 H C -0.097 175.233 175.328 0.004 0.000 1.176 39 H CA 0.871 56.921 56.048 0.004 0.000 1.142 39 H CB -1.977 27.749 29.762 -0.060 0.000 1.475 39 H HN 0.582 nan 8.280 nan 0.000 0.423 40 L N -0.018 121.253 121.223 0.080 0.000 2.959 40 L HA 0.144 4.496 4.340 0.021 0.000 0.259 40 L C 0.764 177.659 176.870 0.041 0.000 1.185 40 L CA -0.280 54.593 54.840 0.054 0.000 0.998 40 L CB 0.333 42.414 42.059 0.038 0.000 1.337 40 L HN 0.168 nan 8.230 nan 0.000 0.555 41 K N 0.653 121.081 120.400 0.046 0.000 3.020 41 K HA -0.179 4.154 4.320 0.021 0.000 0.266 41 K C -0.013 176.606 176.600 0.032 0.000 1.067 41 K CA 0.741 57.051 56.287 0.040 0.000 0.780 41 K CB -2.079 30.444 32.500 0.037 0.000 1.220 41 K HN 0.390 nan 8.250 nan 0.000 0.483 42 L N 0.903 122.144 121.223 0.029 0.000 2.416 42 L HA 0.048 4.400 4.340 0.021 0.000 0.272 42 L C 1.954 178.841 176.870 0.029 0.000 1.161 42 L CA 0.588 55.444 54.840 0.025 0.000 0.845 42 L CB 0.547 42.619 42.059 0.022 0.000 1.119 42 L HN 0.266 nan 8.230 nan 0.000 0.464 43 T N -1.503 113.066 114.554 0.025 0.000 2.985 43 T HA 0.202 4.564 4.350 0.021 0.000 0.254 43 T C 0.538 175.255 174.700 0.027 0.000 1.021 43 T CA -0.152 61.964 62.100 0.028 0.000 0.957 43 T CB 0.367 69.249 68.868 0.024 0.000 1.047 43 T HN 0.575 nan 8.240 nan 0.000 0.511 44 Q N 0.674 120.487 119.800 0.021 0.000 2.423 44 Q HA 0.633 4.986 4.340 0.021 0.000 0.278 44 Q C -1.463 174.539 176.000 0.004 0.000 1.097 44 Q CA -0.996 54.816 55.803 0.015 0.000 0.809 44 Q CB 3.236 31.978 28.738 0.008 0.000 1.391 44 Q HN 0.081 nan 8.270 nan 0.000 0.428 45 V N 2.979 122.885 119.914 -0.014 0.000 2.488 45 V HA 0.196 4.328 4.120 0.021 0.000 0.277 45 V C -2.073 173.991 176.094 -0.050 0.000 1.046 45 V CA -1.323 60.941 62.300 -0.061 0.000 0.986 45 V CB 0.432 32.145 31.823 -0.183 0.000 0.989 45 V HN 0.663 nan 8.190 nan 0.000 0.475 46 P HA 0.074 nan 4.420 nan 0.000 0.266 46 P C 0.079 177.428 177.300 0.082 0.000 1.195 46 P CA 0.066 63.172 63.100 0.010 0.000 0.768 46 P CB 0.403 32.101 31.700 -0.003 0.000 0.838 47 D N 0.670 121.104 120.400 0.057 0.000 2.433 47 D HA -0.032 4.620 4.640 0.021 0.000 0.211 47 D C 0.024 176.349 176.300 0.041 0.000 1.114 47 D CA 0.133 54.154 54.000 0.035 0.000 0.837 47 D CB -0.127 40.657 40.800 -0.026 0.000 0.984 47 D HN 0.329 nan 8.370 nan 0.000 0.505 48 D N 0.185 120.628 120.400 0.072 0.000 2.440 48 D HA 0.135 4.787 4.640 0.021 0.000 0.216 48 D C 0.588 176.940 176.300 0.087 0.000 1.150 48 D CA -0.416 53.617 54.000 0.055 0.000 0.832 48 D CB -0.032 40.784 40.800 0.026 0.000 0.992 48 D HN 0.141 nan 8.370 nan 0.000 0.502 49 L N 1.497 122.821 121.223 0.169 0.000 2.417 49 L HA 0.324 4.676 4.340 0.021 0.000 0.268 49 L C -1.781 175.216 176.870 0.212 0.000 1.158 49 L CA -1.930 53.001 54.840 0.152 0.000 0.819 49 L CB 0.258 42.354 42.059 0.062 0.000 1.112 49 L HN -0.119 nan 8.230 nan 0.000 0.458 50 P HA -0.027 nan 4.420 nan 0.000 0.264 50 P C 0.569 177.972 177.300 0.173 0.000 1.193 50 P CA -0.130 63.035 63.100 0.109 0.000 0.763 50 P CB 0.522 32.256 31.700 0.056 0.000 0.810 51 T N -1.455 113.180 114.554 0.133 0.000 3.139 51 T HA -0.115 4.247 4.350 0.021 0.000 0.267 51 T C 0.986 175.763 174.700 0.128 0.000 1.164 51 T CA 0.597 62.779 62.100 0.137 0.000 1.075 51 T CB -0.917 67.978 68.868 0.045 0.000 0.904 51 T HN 0.512 nan 8.240 nan 0.000 0.540 52 N N 1.715 120.477 118.700 0.102 0.000 2.214 52 N HA 0.110 4.863 4.740 0.021 0.000 0.214 52 N C 0.493 176.048 175.510 0.075 0.000 1.132 52 N CA -0.474 52.623 53.050 0.078 0.000 0.856 52 N CB -0.180 38.338 38.487 0.051 0.000 1.020 52 N HN 0.676 nan 8.380 nan 0.000 0.509 53 I N -0.614 120.008 120.570 0.087 0.000 2.588 53 I HA 0.189 4.372 4.170 0.021 0.000 0.283 53 I C 1.195 177.345 176.117 0.056 0.000 1.119 53 I CA -0.461 60.868 61.300 0.049 0.000 1.419 53 I CB 1.062 39.057 38.000 -0.009 0.000 1.394 53 I HN -0.115 nan 8.210 nan 0.000 0.562 54 T N 2.144 116.724 114.554 0.044 0.000 3.034 54 T HA 0.246 4.609 4.350 0.021 0.000 0.248 54 T C 0.591 175.315 174.700 0.040 0.000 1.040 54 T CA 0.012 62.141 62.100 0.048 0.000 1.107 54 T CB 0.120 69.015 68.868 0.046 0.000 0.932 54 T HN 0.424 nan 8.240 nan 0.000 0.474 55 V N 2.068 121.998 119.914 0.026 0.000 2.540 55 V HA 0.703 4.836 4.120 0.021 0.000 0.302 55 V C -1.299 174.796 176.094 0.000 0.000 1.035 55 V CA -1.069 61.244 62.300 0.022 0.000 0.873 55 V CB 1.858 33.696 31.823 0.024 0.000 0.992 55 V HN 0.389 nan 8.190 nan 0.000 0.428 56 L N 4.679 125.905 121.223 0.005 0.000 2.372 56 L HA 0.630 4.982 4.340 0.021 0.000 0.273 56 L C -0.607 176.271 176.870 0.015 0.000 0.989 56 L CA -0.162 54.667 54.840 -0.017 0.000 0.841 56 L CB 1.547 43.583 42.059 -0.038 0.000 1.225 56 L HN 0.649 nan 8.230 nan 0.000 0.414 57 N N 5.183 123.888 118.700 0.009 0.000 2.485 57 N HA 0.353 5.105 4.740 0.021 0.000 0.243 57 N C -0.520 175.006 175.510 0.027 0.000 0.987 57 N CA -0.122 52.943 53.050 0.026 0.000 0.940 57 N CB 0.802 39.306 38.487 0.028 0.000 1.122 57 N HN 0.764 nan 8.380 nan 0.000 0.509 58 L N 2.235 123.483 121.223 0.041 0.000 3.110 58 L HA 0.195 4.547 4.340 0.021 0.000 0.266 58 L C 0.507 177.401 176.870 0.040 0.000 1.257 58 L CA -0.287 54.578 54.840 0.041 0.000 1.038 58 L CB 0.091 42.188 42.059 0.063 0.000 1.395 58 L HN 0.509 nan 8.230 nan 0.000 0.566 59 T N -3.051 111.529 114.554 0.043 0.000 2.900 59 T HA 0.058 4.421 4.350 0.021 0.000 0.307 59 T C 0.546 175.241 174.700 -0.008 0.000 1.065 59 T CA -0.141 61.983 62.100 0.039 0.000 1.105 59 T CB 0.325 69.257 68.868 0.106 0.000 0.979 59 T HN 0.338 nan 8.240 nan 0.000 0.544 60 H N 1.245 120.254 119.070 -0.102 0.000 2.680 60 H HA -0.132 4.436 4.556 0.021 0.000 0.328 60 H C 0.001 175.229 175.328 -0.168 0.000 1.139 60 H CA 0.473 56.373 56.048 -0.245 0.000 1.124 60 H CB -1.503 27.790 29.762 -0.782 0.000 1.584 60 H HN 0.661 nan 8.280 nan 0.000 0.410 61 N N 0.317 119.031 118.700 0.023 0.000 3.229 61 N HA 0.214 4.966 4.740 0.021 0.000 0.315 61 N C 0.160 175.699 175.510 0.048 0.000 1.520 61 N CA -0.637 52.433 53.050 0.034 0.000 0.769 61 N CB 0.836 39.341 38.487 0.030 0.000 1.766 61 N HN 0.195 nan 8.380 nan 0.000 0.618 62 Q N 0.797 120.624 119.800 0.045 0.000 2.354 62 Q HA 0.463 4.815 4.340 0.021 0.000 0.372 62 Q C -0.807 175.218 176.000 0.042 0.000 0.923 62 Q CA -0.073 55.758 55.803 0.046 0.000 1.123 62 Q CB 0.275 29.038 28.738 0.042 0.000 1.298 62 Q HN 0.303 nan 8.270 nan 0.000 0.419 63 L N 0.212 121.463 121.223 0.046 0.000 2.367 63 L HA 0.309 4.661 4.340 0.021 0.000 0.275 63 L C 1.251 178.147 176.870 0.044 0.000 1.129 63 L CA 0.068 54.939 54.840 0.050 0.000 0.839 63 L CB 0.924 43.022 42.059 0.066 0.000 1.133 63 L HN 0.336 nan 8.230 nan 0.000 0.453 64 R N 1.779 122.303 120.500 0.040 0.000 2.225 64 R HA 0.261 4.614 4.340 0.021 0.000 0.194 64 R C 0.283 176.602 176.300 0.031 0.000 0.957 64 R CA 0.206 56.324 56.100 0.030 0.000 1.042 64 R CB 0.591 30.906 30.300 0.025 0.000 1.004 64 R HN 0.564 nan 8.270 nan 0.000 0.509 65 R N -0.157 120.371 120.500 0.046 0.000 2.799 65 R HA 0.478 4.830 4.340 0.021 0.000 0.270 65 R C -1.370 174.986 176.300 0.093 0.000 1.010 65 R CA -0.721 55.410 56.100 0.052 0.000 0.916 65 R CB 1.879 32.206 30.300 0.044 0.000 1.228 65 R HN -0.087 nan 8.270 nan 0.000 0.469 66 L N 2.592 123.876 121.223 0.102 0.000 2.470 66 L HA 0.402 4.754 4.340 0.021 0.000 0.253 66 L C -2.442 174.536 176.870 0.180 0.000 1.163 66 L CA -1.800 53.153 54.840 0.188 0.000 0.932 66 L CB 1.710 43.834 42.059 0.108 0.000 1.213 66 L HN 0.255 nan 8.230 nan 0.000 0.485 67 P HA 0.188 nan 4.420 nan 0.000 0.275 67 P C 0.615 178.071 177.300 0.259 0.000 1.227 67 P CA -0.222 62.980 63.100 0.169 0.000 0.781 67 P CB 1.536 33.308 31.700 0.120 0.000 0.906 68 A N 3.396 126.317 122.820 0.168 0.000 1.940 68 A HA -0.172 4.160 4.320 0.021 0.000 0.219 68 A C 2.089 179.792 177.584 0.197 0.000 1.176 68 A CA 2.131 54.272 52.037 0.173 0.000 0.631 68 A CB -1.631 17.424 19.000 0.091 0.000 0.814 68 A HN 0.558 nan 8.150 nan 0.000 0.446 69 A N 0.321 123.218 122.820 0.128 0.000 2.019 69 A HA -0.183 4.149 4.320 0.021 0.000 0.219 69 A C 1.666 179.282 177.584 0.052 0.000 1.164 69 A CA 1.827 53.908 52.037 0.074 0.000 0.644 69 A CB -0.691 18.332 19.000 0.039 0.000 0.805 69 A HN 0.626 nan 8.150 nan 0.000 0.449 70 N N -1.389 117.359 118.700 0.081 0.000 2.515 70 N HA 0.057 4.810 4.740 0.021 0.000 0.185 70 N C 0.312 175.692 175.510 -0.217 0.000 1.109 70 N CA 0.770 53.776 53.050 -0.073 0.000 0.903 70 N CB -0.176 38.245 38.487 -0.110 0.000 0.969 70 N HN 0.521 nan 8.380 nan 0.000 0.450 71 F N -0.930 119.057 119.950 0.062 0.000 2.654 71 F HA 0.258 4.798 4.527 0.021 0.000 0.303 71 F C 1.546 177.353 175.800 0.012 0.000 1.099 71 F CA -0.090 57.982 58.000 0.121 0.000 1.270 71 F CB 0.124 39.214 39.000 0.151 0.000 1.024 71 F HN -0.089 nan 8.300 nan 0.000 0.548 72 T N 0.220 114.807 114.554 0.055 0.000 2.867 72 T HA -0.179 4.184 4.350 0.021 0.000 0.268 72 T C 2.035 176.682 174.700 -0.088 0.000 1.057 72 T CA 1.287 63.386 62.100 -0.002 0.000 1.136 72 T CB -0.224 68.630 68.868 -0.023 0.000 0.874 72 T HN 0.405 nan 8.240 nan 0.000 0.466 73 R N 0.079 120.411 120.500 -0.280 0.000 2.310 73 R HA 0.090 4.442 4.340 0.021 0.000 0.202 73 R C 0.017 176.116 176.300 -0.335 0.000 0.933 73 R CA 0.409 56.287 56.100 -0.369 0.000 1.054 73 R CB -0.186 29.808 30.300 -0.510 0.000 0.985 73 R HN 0.322 nan 8.270 nan 0.000 0.489 74 Y N 1.705 122.042 120.300 0.062 0.000 2.724 74 Y HA 0.252 4.815 4.550 0.021 0.000 0.370 74 Y C 1.070 177.036 175.900 0.109 0.000 0.978 74 Y CA -1.419 56.733 58.100 0.087 0.000 1.443 74 Y CB 0.698 39.228 38.460 0.117 0.000 1.386 74 Y HN 0.140 nan 8.280 nan 0.000 0.557 75 S N -1.377 114.427 115.700 0.173 0.000 2.555 75 S HA -0.096 4.387 4.470 0.021 0.000 0.230 75 S C 1.304 175.972 174.600 0.113 0.000 0.978 75 S CA 0.604 58.879 58.200 0.126 0.000 0.934 75 S CB 0.083 63.326 63.200 0.072 0.000 0.766 75 S HN 0.402 nan 8.310 nan 0.000 0.533 76 Q N 0.639 120.515 119.800 0.127 0.000 2.319 76 Q HA 0.374 4.726 4.340 0.021 0.000 0.202 76 Q C 0.137 176.194 176.000 0.095 0.000 0.896 76 Q CA -0.070 55.791 55.803 0.097 0.000 0.942 76 Q CB -0.005 28.785 28.738 0.087 0.000 1.083 76 Q HN 0.586 nan 8.270 nan 0.000 0.510 77 L N 1.736 123.031 121.223 0.120 0.000 2.499 77 L HA -0.015 4.338 4.340 0.021 0.000 0.273 77 L C 1.443 178.358 176.870 0.075 0.000 1.195 77 L CA 0.573 55.473 54.840 0.101 0.000 0.882 77 L CB 0.482 42.621 42.059 0.133 0.000 1.133 77 L HN 0.152 nan 8.230 nan 0.000 0.483 78 T N -2.585 112.005 114.554 0.060 0.000 2.969 78 T HA 0.076 4.438 4.350 0.021 0.000 0.250 78 T C 0.588 175.315 174.700 0.045 0.000 1.021 78 T CA -0.108 62.021 62.100 0.049 0.000 1.003 78 T CB 0.532 69.425 68.868 0.041 0.000 1.040 78 T HN 0.407 nan 8.240 nan 0.000 0.492 79 S N 0.474 116.203 115.700 0.047 0.000 2.575 79 S HA 0.710 5.193 4.470 0.021 0.000 0.278 79 S C -1.972 172.657 174.600 0.048 0.000 1.139 79 S CA -0.788 57.439 58.200 0.045 0.000 0.954 79 S CB 1.501 64.724 63.200 0.038 0.000 1.054 79 S HN 0.401 nan 8.310 nan 0.000 0.483 80 L N 4.317 125.569 121.223 0.049 0.000 2.404 80 L HA 0.672 5.025 4.340 0.021 0.000 0.272 80 L C -1.513 175.388 176.870 0.052 0.000 0.980 80 L CA -0.141 54.732 54.840 0.055 0.000 0.836 80 L CB 1.883 43.965 42.059 0.039 0.000 1.238 80 L HN 0.661 nan 8.230 nan 0.000 0.408 81 D N 3.938 124.369 120.400 0.052 0.000 2.461 81 D HA 0.336 4.988 4.640 0.021 0.000 0.240 81 D C 0.085 176.418 176.300 0.054 0.000 1.094 81 D CA -0.060 53.967 54.000 0.044 0.000 0.868 81 D CB 1.537 42.358 40.800 0.034 0.000 1.062 81 D HN 0.380 nan 8.370 nan 0.000 0.530 82 V N 1.951 121.896 119.914 0.051 0.000 3.006 82 V HA 0.547 4.679 4.120 0.021 0.000 0.357 82 V C 0.999 177.111 176.094 0.029 0.000 1.377 82 V CA -0.561 61.771 62.300 0.054 0.000 1.198 82 V CB 0.298 32.162 31.823 0.069 0.000 1.216 82 V HN 0.369 nan 8.190 nan 0.000 0.520 83 G N -0.361 108.451 108.800 0.020 0.000 2.544 83 G HA2 0.409 4.381 3.960 0.021 0.000 0.242 83 G HA3 0.409 4.381 3.960 0.021 0.000 0.242 83 G C -0.156 174.759 174.900 0.024 0.000 1.247 83 G CA -0.363 44.715 45.100 -0.037 0.000 0.840 83 G HN 0.570 nan 8.290 nan 0.000 0.578 84 F N -0.269 119.603 119.950 -0.129 0.000 2.985 84 F HA -0.200 4.340 4.527 0.021 0.000 0.303 84 F C 0.870 176.616 175.800 -0.091 0.000 0.976 84 F CA 0.789 58.681 58.000 -0.180 0.000 1.013 84 F CB -1.733 36.836 39.000 -0.720 0.000 1.060 84 F HN 0.548 nan 8.300 nan 0.000 0.780 85 N N -0.571 118.180 118.700 0.086 0.000 3.455 85 N HA 0.596 5.349 4.740 0.021 0.000 0.358 85 N C 0.570 176.108 175.510 0.046 0.000 1.580 85 N CA 0.132 53.221 53.050 0.066 0.000 0.692 85 N CB 1.386 39.901 38.487 0.045 0.000 1.978 85 N HN 0.059 nan 8.380 nan 0.000 0.651 86 T N -1.166 113.405 114.554 0.029 0.000 3.487 86 T HA 0.459 4.821 4.350 0.021 0.000 0.287 86 T C 0.215 174.917 174.700 0.003 0.000 1.004 86 T CA -0.280 61.826 62.100 0.010 0.000 0.977 86 T CB -0.866 68.014 68.868 0.019 0.000 1.180 86 T HN 0.257 nan 8.240 nan 0.000 0.490 87 I N 2.716 123.287 120.570 0.002 0.000 2.471 87 I HA 0.210 4.392 4.170 0.021 0.000 0.286 87 I C 1.405 177.515 176.117 -0.013 0.000 1.079 87 I CA -0.256 61.046 61.300 0.003 0.000 1.398 87 I CB 1.185 39.193 38.000 0.013 0.000 1.403 87 I HN 0.418 nan 8.210 nan 0.000 0.530 88 S N 4.231 119.922 115.700 -0.014 0.000 2.539 88 S HA 0.268 4.750 4.470 0.021 0.000 0.226 88 S C 0.535 175.115 174.600 -0.033 0.000 1.054 88 S CA -0.297 57.888 58.200 -0.024 0.000 0.910 88 S CB 0.301 63.488 63.200 -0.021 0.000 0.818 88 S HN 0.542 nan 8.310 nan 0.000 0.490 89 K N 0.490 120.870 120.400 -0.033 0.000 2.316 89 K HA 0.653 4.985 4.320 0.021 0.000 0.251 89 K C -2.070 174.494 176.600 -0.060 0.000 0.934 89 K CA -0.708 55.548 56.287 -0.052 0.000 0.802 89 K CB 2.210 34.686 32.500 -0.040 0.000 1.171 89 K HN 0.081 nan 8.250 nan 0.000 0.426 90 L N 2.233 123.393 121.223 -0.104 0.000 2.376 90 L HA 0.275 4.627 4.340 0.021 0.000 0.275 90 L C -0.876 175.918 176.870 -0.128 0.000 0.987 90 L CA -0.180 54.585 54.840 -0.125 0.000 0.828 90 L CB 1.707 43.641 42.059 -0.208 0.000 1.249 90 L HN 0.549 nan 8.230 nan 0.000 0.409 91 E N 6.223 126.378 120.200 -0.074 0.000 2.257 91 E HA 0.124 4.487 4.350 0.021 0.000 0.278 91 E C -1.705 174.873 176.600 -0.036 0.000 1.049 91 E CA -1.391 54.984 56.400 -0.042 0.000 0.876 91 E CB 0.960 30.660 29.700 0.001 0.000 1.035 91 E HN 0.462 nan 8.360 nan 0.000 0.419 92 P HA -0.201 nan 4.420 nan 0.000 0.216 92 P C 0.707 178.161 177.300 0.256 0.000 1.150 92 P CA 1.049 64.174 63.100 0.041 0.000 0.843 92 P CB 0.308 32.015 31.700 0.012 0.000 0.787 93 E N -0.942 119.372 120.200 0.189 0.000 2.409 93 E HA -0.104 4.259 4.350 0.021 0.000 0.198 93 E C 1.762 178.411 176.600 0.081 0.000 1.024 93 E CA 0.366 56.847 56.400 0.135 0.000 0.861 93 E CB -0.616 29.123 29.700 0.066 0.000 0.788 93 E HN 0.229 nan 8.360 nan 0.000 0.521 94 L N 0.205 121.462 121.223 0.057 0.000 2.083 94 L HA -0.138 4.214 4.340 0.021 0.000 0.209 94 L C 2.082 178.952 176.870 -0.000 0.000 1.083 94 L CA 1.597 56.430 54.840 -0.011 0.000 0.752 94 L CB -0.564 41.436 42.059 -0.098 0.000 0.899 94 L HN 0.045 nan 8.230 nan 0.000 0.433 95 c N -0.798 117.843 118.600 0.068 0.000 2.468 95 c HA -0.046 4.536 4.570 0.021 0.000 0.277 95 c C 2.670 176.820 174.090 0.099 0.000 1.400 95 c CA 0.481 56.871 56.329 0.101 0.000 1.770 95 c CB -0.811 41.801 42.510 0.171 0.000 1.905 95 c HN 0.621 nan 8.230 nan 0.000 0.519 96 Q N 0.185 120.029 119.800 0.072 0.000 2.245 96 Q HA -0.046 4.306 4.340 0.021 0.000 0.201 96 Q C 1.971 177.969 176.000 -0.004 0.000 0.955 96 Q CA 0.773 56.562 55.803 -0.023 0.000 0.870 96 Q CB 0.132 28.767 28.738 -0.171 0.000 0.945 96 Q HN 0.504 nan 8.270 nan 0.000 0.461 97 K N 0.003 120.419 120.400 0.026 0.000 2.365 97 K HA 0.083 4.415 4.320 0.021 0.000 0.197 97 K C 0.262 176.905 176.600 0.071 0.000 1.042 97 K CA 0.486 56.803 56.287 0.050 0.000 0.987 97 K CB 0.514 33.065 32.500 0.085 0.000 0.779 97 K HN 0.185 nan 8.250 nan 0.000 0.484 98 L N 2.575 123.833 121.223 0.059 0.000 2.556 98 L HA 0.211 4.563 4.340 0.021 0.000 0.243 98 L C -1.705 175.200 176.870 0.058 0.000 1.331 98 L CA -1.068 53.813 54.840 0.068 0.000 0.927 98 L CB 1.490 43.580 42.059 0.050 0.000 1.219 98 L HN -0.174 nan 8.230 nan 0.000 0.490 99 P HA -0.080 nan 4.420 nan 0.000 0.230 99 P C 1.010 178.340 177.300 0.049 0.000 1.158 99 P CA 1.032 64.161 63.100 0.047 0.000 0.769 99 P CB 0.399 32.120 31.700 0.034 0.000 0.807 100 M N -1.236 118.395 119.600 0.052 0.000 2.383 100 M HA 0.135 4.627 4.480 0.021 0.000 0.247 100 M C 0.401 176.730 176.300 0.048 0.000 1.117 100 M CA -0.658 54.671 55.300 0.048 0.000 0.995 100 M CB 0.088 32.717 32.600 0.048 0.000 1.480 100 M HN -0.134 nan 8.290 nan 0.000 0.485 101 L N 1.686 122.940 121.223 0.052 0.000 2.562 101 L HA -0.019 4.333 4.340 0.021 0.000 0.271 101 L C 0.809 177.704 176.870 0.041 0.000 1.167 101 L CA 1.169 56.037 54.840 0.048 0.000 0.917 101 L CB 0.166 42.253 42.059 0.047 0.000 1.187 101 L HN 0.151 nan 8.230 nan 0.000 0.482 102 K N 2.886 123.308 120.400 0.036 0.000 2.306 102 K HA 0.261 4.593 4.320 0.021 0.000 0.200 102 K C -0.463 176.150 176.600 0.022 0.000 1.083 102 K CA 0.164 56.467 56.287 0.026 0.000 0.959 102 K CB 0.658 33.173 32.500 0.024 0.000 0.994 102 K HN 0.389 nan 8.250 nan 0.000 0.492 103 V N 2.909 122.844 119.914 0.035 0.000 2.384 103 V HA 0.320 4.453 4.120 0.021 0.000 0.287 103 V C -1.166 174.964 176.094 0.060 0.000 1.020 103 V CA -0.855 61.476 62.300 0.051 0.000 0.850 103 V CB 1.492 33.353 31.823 0.064 0.000 0.987 103 V HN 0.072 nan 8.190 nan 0.000 0.436 104 L N 5.010 126.273 121.223 0.067 0.000 2.372 104 L HA 0.565 4.917 4.340 0.021 0.000 0.274 104 L C -0.522 176.419 176.870 0.118 0.000 0.988 104 L CA -0.063 54.821 54.840 0.074 0.000 0.833 104 L CB 1.566 43.664 42.059 0.066 0.000 1.236 104 L HN 0.719 nan 8.230 nan 0.000 0.410 105 N N 4.664 123.428 118.700 0.106 0.000 2.479 105 N HA 0.437 5.189 4.740 0.021 0.000 0.261 105 N C -0.439 175.104 175.510 0.055 0.000 0.979 105 N CA -0.390 52.718 53.050 0.097 0.000 0.930 105 N CB 0.849 39.339 38.487 0.005 0.000 1.172 105 N HN 0.741 nan 8.380 nan 0.000 0.499 106 L N 3.352 124.612 121.223 0.061 0.000 3.110 106 L HA 0.155 4.507 4.340 0.021 0.000 0.266 106 L C 0.466 177.321 176.870 -0.026 0.000 1.257 106 L CA -0.407 54.454 54.840 0.035 0.000 1.038 106 L CB 0.199 42.313 42.059 0.092 0.000 1.395 106 L HN 0.616 nan 8.230 nan 0.000 0.566 107 Q N -0.449 119.305 119.800 -0.077 0.000 2.395 107 Q HA -0.044 4.308 4.340 0.021 0.000 0.271 107 Q C 0.185 175.994 176.000 -0.318 0.000 1.026 107 Q CA -0.133 55.563 55.803 -0.179 0.000 0.900 107 Q CB 0.322 28.927 28.738 -0.222 0.000 1.266 107 Q HN 0.211 nan 8.270 nan 0.000 0.430 108 H N 1.678 120.491 119.070 -0.428 0.000 2.680 108 H HA -0.180 4.388 4.556 0.021 0.000 0.328 108 H C -1.284 173.882 175.328 -0.270 0.000 1.139 108 H CA 0.933 56.712 56.048 -0.448 0.000 1.124 108 H CB -0.699 28.520 29.762 -0.904 0.000 1.584 108 H HN 0.906 nan 8.280 nan 0.000 0.410 109 N N 0.587 119.151 118.700 -0.226 0.000 3.455 109 N HA 0.201 4.954 4.740 0.021 0.000 0.358 109 N C 0.127 175.548 175.510 -0.149 0.000 1.580 109 N CA -0.520 52.446 53.050 -0.140 0.000 0.692 109 N CB 0.780 39.227 38.487 -0.066 0.000 1.978 109 N HN 0.397 nan 8.380 nan 0.000 0.651 110 E N 0.632 120.781 120.200 -0.084 0.000 2.789 110 E HA 0.179 4.541 4.350 0.021 0.000 0.208 110 E C -0.606 175.968 176.600 -0.044 0.000 0.988 110 E CA -0.120 56.238 56.400 -0.070 0.000 1.092 110 E CB 0.406 30.073 29.700 -0.055 0.000 1.066 110 E HN 0.155 nan 8.360 nan 0.000 0.465 111 L N 2.014 123.218 121.223 -0.033 0.000 2.382 111 L HA 0.066 4.418 4.340 0.021 0.000 0.259 111 L C 1.180 178.047 176.870 -0.005 0.000 1.291 111 L CA 0.361 55.192 54.840 -0.014 0.000 1.176 111 L CB -0.188 41.878 42.059 0.011 0.000 1.373 111 L HN 0.027 nan 8.230 nan 0.000 0.426 112 S N 1.368 117.058 115.700 -0.016 0.000 2.406 112 S HA 0.075 4.557 4.470 0.021 0.000 0.224 112 S C 0.788 175.382 174.600 -0.010 0.000 1.030 112 S CA -0.017 58.176 58.200 -0.011 0.000 0.958 112 S CB -0.064 63.125 63.200 -0.018 0.000 0.811 112 S HN 0.577 nan 8.310 nan 0.000 0.489 113 Q N 0.768 120.554 119.800 -0.024 0.000 2.307 113 Q HA 0.721 5.074 4.340 0.021 0.000 0.262 113 Q C -1.208 174.759 176.000 -0.055 0.000 0.961 113 Q CA -0.097 55.684 55.803 -0.036 0.000 0.882 113 Q CB 1.898 30.611 28.738 -0.043 0.000 1.264 113 Q HN 0.408 nan 8.270 nan 0.000 0.446 114 L N 1.041 122.227 121.223 -0.061 0.000 2.342 114 L HA 0.783 5.135 4.340 0.021 0.000 0.271 114 L C -0.076 176.715 176.870 -0.133 0.000 1.008 114 L CA -0.714 54.065 54.840 -0.102 0.000 0.818 114 L CB 1.960 43.980 42.059 -0.064 0.000 1.296 114 L HN 0.743 nan 8.230 nan 0.000 0.427 115 S N -1.319 114.277 115.700 -0.174 0.000 2.740 115 S HA 0.395 4.878 4.470 0.021 0.000 0.300 115 S C -0.092 174.392 174.600 -0.193 0.000 1.147 115 S CA -0.735 57.367 58.200 -0.164 0.000 0.871 115 S CB 1.790 64.903 63.200 -0.144 0.000 1.173 115 S HN 0.554 nan 8.310 nan 0.000 0.510 116 D N 0.336 120.635 120.400 -0.169 0.000 2.312 116 D HA 0.104 4.756 4.640 0.021 0.000 0.211 116 D C 1.386 177.560 176.300 -0.209 0.000 0.964 116 D CA 0.963 54.861 54.000 -0.171 0.000 0.877 116 D CB -0.025 40.695 40.800 -0.134 0.000 0.924 116 D HN 0.520 nan 8.370 nan 0.000 0.515 117 K N -0.296 119.967 120.400 -0.228 0.000 2.186 117 K HA 0.013 4.346 4.320 0.021 0.000 0.202 117 K C 1.894 178.280 176.600 -0.357 0.000 1.052 117 K CA 0.704 56.813 56.287 -0.297 0.000 0.965 117 K CB 0.064 32.433 32.500 -0.217 0.000 0.746 117 K HN 0.036 nan 8.250 nan 0.000 0.457 118 T N 1.315 115.654 114.554 -0.358 0.000 2.565 118 T HA -0.189 4.173 4.350 0.021 0.000 0.265 118 T C 1.146 175.467 174.700 -0.633 0.000 1.082 118 T CA 1.681 63.450 62.100 -0.552 0.000 1.173 118 T CB -0.287 68.139 68.868 -0.737 0.000 0.864 118 T HN 0.126 nan 8.240 nan 0.000 0.425 119 F N 0.477 120.341 119.950 -0.144 0.000 2.647 119 F HA 0.636 5.175 4.527 0.021 0.000 0.300 119 F C 1.872 177.594 175.800 -0.130 0.000 1.106 119 F CA -0.871 57.078 58.000 -0.084 0.000 1.313 119 F CB -0.540 38.466 39.000 0.010 0.000 1.007 119 F HN 0.121 nan 8.300 nan 0.000 0.536 120 A N -0.233 122.475 122.820 -0.187 0.000 1.978 120 A HA -0.150 4.182 4.320 0.021 0.000 0.220 120 A C 1.485 178.918 177.584 -0.252 0.000 1.170 120 A CA 1.704 53.544 52.037 -0.328 0.000 0.636 120 A CB -0.789 17.833 19.000 -0.629 0.000 0.810 120 A HN 0.319 nan 8.150 nan 0.000 0.448 121 F N -1.241 118.738 119.950 0.049 0.000 2.695 121 F HA 0.160 4.699 4.527 0.021 0.000 0.303 121 F C 0.892 176.726 175.800 0.057 0.000 1.091 121 F CA -1.166 56.858 58.000 0.040 0.000 1.300 121 F CB -0.682 38.330 39.000 0.019 0.000 1.071 121 F HN 0.082 nan 8.300 nan 0.000 0.578 122 c N 1.897 120.626 118.600 0.214 0.000 3.057 122 c HA 0.191 4.773 4.570 0.021 0.000 0.563 122 c C 2.065 176.233 174.090 0.129 0.000 1.129 122 c CA 0.000 56.434 56.329 0.174 0.000 1.284 122 c CB -2.345 40.290 42.510 0.209 0.000 1.532 122 c HN 0.552 nan 8.230 nan 0.000 0.631 123 T N -2.541 112.086 114.554 0.121 0.000 2.995 123 T HA -0.105 4.257 4.350 0.021 0.000 0.269 123 T C 1.127 175.865 174.700 0.063 0.000 1.091 123 T CA 1.226 63.380 62.100 0.090 0.000 1.128 123 T CB -0.234 68.689 68.868 0.092 0.000 0.891 123 T HN 0.606 nan 8.240 nan 0.000 0.492 124 N N 0.895 119.630 118.700 0.059 0.000 2.268 124 N HA 0.269 5.021 4.740 0.021 0.000 0.204 124 N C -0.152 175.376 175.510 0.030 0.000 1.124 124 N CA -0.069 53.006 53.050 0.042 0.000 0.838 124 N CB 0.255 38.767 38.487 0.042 0.000 0.994 124 N HN 0.459 nan 8.380 nan 0.000 0.489 125 L N 0.992 122.230 121.223 0.025 0.000 2.453 125 L HA 0.048 4.400 4.340 0.021 0.000 0.272 125 L C 1.773 178.630 176.870 -0.022 0.000 1.182 125 L CA 0.290 55.129 54.840 -0.001 0.000 0.858 125 L CB 0.877 42.922 42.059 -0.023 0.000 1.120 125 L HN 0.139 nan 8.230 nan 0.000 0.474 126 T N -1.790 112.746 114.554 -0.029 0.000 2.978 126 T HA 0.216 4.578 4.350 0.021 0.000 0.248 126 T C 0.481 175.135 174.700 -0.076 0.000 1.018 126 T CA -0.211 61.866 62.100 -0.038 0.000 1.026 126 T CB 0.393 69.251 68.868 -0.016 0.000 1.032 126 T HN 0.522 nan 8.240 nan 0.000 0.485 127 E N 0.524 120.673 120.200 -0.085 0.000 2.256 127 E HA 0.621 4.984 4.350 0.021 0.000 0.268 127 E C -2.155 174.320 176.600 -0.208 0.000 0.877 127 E CA -0.842 55.462 56.400 -0.159 0.000 0.757 127 E CB 2.610 32.283 29.700 -0.046 0.000 1.183 127 E HN 0.097 nan 8.360 nan 0.000 0.418 128 L N 3.752 124.745 121.223 -0.384 0.000 2.446 128 L HA 0.300 4.653 4.340 0.021 0.000 0.268 128 L C -1.617 174.989 176.870 -0.439 0.000 0.975 128 L CA -0.380 54.252 54.840 -0.347 0.000 0.848 128 L CB 0.977 42.794 42.059 -0.404 0.000 1.225 128 L HN 0.583 nan 8.230 nan 0.000 0.410 129 H N 7.135 126.142 119.070 -0.104 0.000 2.541 129 H HA 0.430 4.998 4.556 0.021 0.000 0.316 129 H C -0.305 174.990 175.328 -0.055 0.000 1.043 129 H CA -0.341 55.660 56.048 -0.078 0.000 1.232 129 H CB 1.863 31.591 29.762 -0.057 0.000 1.406 129 H HN 0.591 nan 8.280 nan 0.000 0.469 130 L N 3.737 124.980 121.223 0.034 0.000 3.288 130 L HA 0.217 4.570 4.340 0.021 0.000 0.293 130 L C -0.243 176.647 176.870 0.033 0.000 1.294 130 L CA -0.292 54.574 54.840 0.044 0.000 1.006 130 L CB 0.120 42.219 42.059 0.067 0.000 1.407 130 L HN 0.377 nan 8.230 nan 0.000 0.592 131 M N -0.478 119.139 119.600 0.027 0.000 2.248 131 M HA 0.121 4.613 4.480 0.021 0.000 0.337 131 M C 1.228 177.518 176.300 -0.017 0.000 1.121 131 M CA 0.563 55.880 55.300 0.028 0.000 1.155 131 M CB 0.423 33.043 32.600 0.033 0.000 1.514 131 M HN 0.135 nan 8.290 nan 0.000 0.452 132 S N 1.268 116.980 115.700 0.020 0.000 3.628 132 S HA -0.152 4.331 4.470 0.021 0.000 0.373 132 S C 0.359 174.898 174.600 -0.103 0.000 0.968 132 S CA 0.389 58.574 58.200 -0.027 0.000 1.215 132 S CB -1.530 61.649 63.200 -0.036 0.000 0.912 132 S HN 0.845 nan 8.310 nan 0.000 0.495 133 N N 0.189 118.859 118.700 -0.050 0.000 2.204 133 N HA 0.185 4.937 4.740 0.021 0.000 0.219 133 N C 0.104 175.591 175.510 -0.039 0.000 1.151 133 N CA 0.422 53.437 53.050 -0.058 0.000 0.867 133 N CB 0.683 39.162 38.487 -0.013 0.000 1.043 133 N HN 0.442 nan 8.380 nan 0.000 0.516 134 S N 0.691 116.373 115.700 -0.030 0.000 3.587 134 S HA -0.183 4.300 4.470 0.021 0.000 0.337 134 S C 0.300 174.899 174.600 -0.002 0.000 1.119 134 S CA 0.352 58.542 58.200 -0.017 0.000 0.976 134 S CB -1.641 61.540 63.200 -0.032 0.000 0.922 134 S HN 0.353 nan 8.310 nan 0.000 0.503 135 I N 1.029 121.607 120.570 0.013 0.000 2.452 135 I HA 0.117 4.299 4.170 0.021 0.000 0.287 135 I C 1.342 177.472 176.117 0.021 0.000 1.079 135 I CA 0.263 61.578 61.300 0.024 0.000 1.387 135 I CB 0.889 38.920 38.000 0.051 0.000 1.404 135 I HN 0.249 nan 8.210 nan 0.000 0.522 136 Q N 3.769 123.577 119.800 0.013 0.000 2.316 136 Q HA 0.178 4.531 4.340 0.021 0.000 0.235 136 Q C -0.108 175.898 176.000 0.010 0.000 0.863 136 Q CA 0.260 56.069 55.803 0.010 0.000 0.939 136 Q CB 0.865 29.605 28.738 0.003 0.000 1.108 136 Q HN 0.438 nan 8.270 nan 0.000 0.522 137 K N 0.335 120.741 120.400 0.010 0.000 2.525 137 K HA 0.371 4.704 4.320 0.021 0.000 0.254 137 K C -1.859 174.744 176.600 0.006 0.000 0.934 137 K CA -0.374 55.917 56.287 0.006 0.000 0.802 137 K CB 1.419 33.916 32.500 -0.005 0.000 1.295 137 K HN -0.135 nan 8.250 nan 0.000 0.433 138 I N 4.060 124.635 120.570 0.009 0.000 2.389 138 I HA 0.395 4.577 4.170 0.021 0.000 0.288 138 I C -0.458 175.644 176.117 -0.024 0.000 0.999 138 I CA -0.647 60.651 61.300 -0.003 0.000 1.129 138 I CB 1.452 39.476 38.000 0.040 0.000 1.288 138 I HN 0.597 nan 8.210 nan 0.000 0.444 139 K N 5.464 125.834 120.400 -0.050 0.000 2.208 139 K HA 0.517 4.849 4.320 0.021 0.000 0.247 139 K C 0.171 176.725 176.600 -0.076 0.000 0.953 139 K CA -0.719 55.536 56.287 -0.054 0.000 0.837 139 K CB 1.747 34.216 32.500 -0.051 0.000 1.131 139 K HN 0.530 nan 8.250 nan 0.000 0.431 140 N N 0.974 119.635 118.700 -0.066 0.000 1.175 140 N HA -0.273 4.479 4.740 0.021 0.000 0.114 140 N C -0.703 174.753 175.510 -0.089 0.000 0.804 140 N CA 0.937 53.943 53.050 -0.074 0.000 0.858 140 N CB -0.598 37.842 38.487 -0.078 0.000 1.032 140 N HN 0.704 nan 8.380 nan 0.000 0.617 141 N N 2.270 120.906 118.700 -0.106 0.000 2.841 141 N HA 0.208 4.961 4.740 0.021 0.000 0.257 141 N C -2.011 173.395 175.510 -0.174 0.000 1.396 141 N CA -0.717 52.264 53.050 -0.115 0.000 0.823 141 N CB 1.767 40.209 38.487 -0.075 0.000 1.162 141 N HN 0.365 nan 8.380 nan 0.000 0.503 142 P HA 0.034 nan 4.420 nan 0.000 0.229 142 P C 0.334 177.368 177.300 -0.442 0.000 1.160 142 P CA 0.645 63.475 63.100 -0.451 0.000 0.777 142 P CB 0.111 31.411 31.700 -0.667 0.000 0.814 143 F N -1.524 118.439 119.950 0.023 0.000 2.654 143 F HA 0.186 4.725 4.527 0.021 0.000 0.303 143 F C 2.047 177.834 175.800 -0.022 0.000 1.099 143 F CA -0.503 57.493 58.000 -0.007 0.000 1.270 143 F CB -0.907 38.072 39.000 -0.036 0.000 1.024 143 F HN -0.278 nan 8.300 nan 0.000 0.548 144 V N 0.685 120.646 119.914 0.079 0.000 2.594 144 V HA -0.177 3.955 4.120 0.021 0.000 0.253 144 V C 2.052 178.171 176.094 0.042 0.000 1.069 144 V CA 1.770 64.093 62.300 0.039 0.000 1.082 144 V CB -0.149 31.670 31.823 -0.007 0.000 0.680 144 V HN 0.121 nan 8.190 nan 0.000 0.469 145 K N -0.322 120.110 120.400 0.053 0.000 2.404 145 K HA 0.129 4.462 4.320 0.021 0.000 0.194 145 K C 0.872 177.512 176.600 0.067 0.000 1.023 145 K CA 0.122 56.441 56.287 0.054 0.000 1.094 145 K CB 0.093 32.621 32.500 0.047 0.000 0.841 145 K HN 0.420 nan 8.250 nan 0.000 0.523 146 Q N 1.101 120.949 119.800 0.079 0.000 3.254 146 Q HA 0.097 4.449 4.340 0.021 0.000 0.315 146 Q C 0.521 176.544 176.000 0.039 0.000 1.405 146 Q CA 0.204 56.041 55.803 0.057 0.000 0.966 146 Q CB 0.210 28.979 28.738 0.051 0.000 1.706 146 Q HN 0.049 nan 8.270 nan 0.000 0.525 147 K N -0.102 120.321 120.400 0.039 0.000 2.362 147 K HA -0.013 4.320 4.320 0.021 0.000 0.200 147 K C 0.499 177.115 176.600 0.026 0.000 1.046 147 K CA 0.595 56.901 56.287 0.033 0.000 0.952 147 K CB 0.404 32.925 32.500 0.033 0.000 0.753 147 K HN 0.242 nan 8.250 nan 0.000 0.466 148 N N 0.434 119.146 118.700 0.020 0.000 2.187 148 N HA 0.034 4.787 4.740 0.021 0.000 0.212 148 N C -0.529 174.979 175.510 -0.003 0.000 1.152 148 N CA -0.157 52.901 53.050 0.013 0.000 0.872 148 N CB 0.409 38.906 38.487 0.016 0.000 1.025 148 N HN 0.026 nan 8.380 nan 0.000 0.514 149 L N 1.811 123.025 121.223 -0.014 0.000 2.462 149 L HA 0.078 4.430 4.340 0.021 0.000 0.272 149 L C 1.154 177.997 176.870 -0.045 0.000 1.166 149 L CA 0.352 55.163 54.840 -0.049 0.000 0.880 149 L CB 0.401 42.411 42.059 -0.082 0.000 1.142 149 L HN -0.016 nan 8.230 nan 0.000 0.473 150 I N 1.979 122.512 120.570 -0.061 0.000 2.947 150 I HA 0.111 4.293 4.170 0.021 0.000 0.263 150 I C 0.670 176.735 176.117 -0.087 0.000 1.130 150 I CA 0.673 61.941 61.300 -0.053 0.000 1.448 150 I CB -0.557 37.420 38.000 -0.037 0.000 1.222 150 I HN 0.497 nan 8.210 nan 0.000 0.453 151 T N 3.404 117.878 114.554 -0.133 0.000 2.824 151 T HA 0.586 4.948 4.350 0.021 0.000 0.282 151 T C -0.861 173.672 174.700 -0.279 0.000 0.993 151 T CA -0.278 61.710 62.100 -0.186 0.000 0.967 151 T CB 2.486 71.246 68.868 -0.180 0.000 0.960 151 T HN -0.073 nan 8.240 nan 0.000 0.441 152 L N 3.279 124.333 121.223 -0.281 0.000 2.404 152 L HA 0.573 4.925 4.340 0.021 0.000 0.272 152 L C -1.428 175.274 176.870 -0.280 0.000 0.980 152 L CA -0.416 54.214 54.840 -0.350 0.000 0.836 152 L CB 1.577 43.399 42.059 -0.395 0.000 1.238 152 L HN 0.490 nan 8.230 nan 0.000 0.408 153 D N 5.189 125.424 120.400 -0.275 0.000 2.441 153 D HA 0.310 4.962 4.640 0.021 0.000 0.231 153 D C -0.239 176.008 176.300 -0.089 0.000 1.073 153 D CA -0.027 53.886 54.000 -0.146 0.000 0.850 153 D CB 1.191 41.950 40.800 -0.067 0.000 1.062 153 D HN 0.656 nan 8.370 nan 0.000 0.524 154 L N 2.433 123.617 121.223 -0.064 0.000 3.141 154 L HA 0.202 4.554 4.340 0.021 0.000 0.267 154 L C 0.613 177.489 176.870 0.011 0.000 1.281 154 L CA -0.204 54.628 54.840 -0.013 0.000 1.037 154 L CB 0.457 42.515 42.059 -0.001 0.000 1.407 154 L HN 0.133 nan 8.230 nan 0.000 0.566 155 S N -0.895 114.817 115.700 0.020 0.000 2.600 155 S HA 0.142 4.625 4.470 0.021 0.000 0.265 155 S C 0.561 175.227 174.600 0.109 0.000 1.325 155 S CA -0.234 57.984 58.200 0.029 0.000 1.002 155 S CB 0.183 63.418 63.200 0.058 0.000 0.921 155 S HN 0.436 nan 8.310 nan 0.000 0.554 156 H N 0.302 119.372 119.070 -0.000 0.000 2.713 156 H HA -0.143 4.426 4.556 0.021 0.000 0.311 156 H C 0.075 175.403 175.328 0.000 0.000 1.175 156 H CA 0.493 56.544 56.048 0.004 0.000 1.143 156 H CB -1.572 28.195 29.762 0.009 0.000 1.434 156 H HN 0.455 nan 8.280 nan 0.000 0.418 157 N N -0.552 118.185 118.700 0.062 0.000 3.184 157 N HA 0.414 5.166 4.740 0.021 0.000 0.353 157 N C 1.278 176.802 175.510 0.023 0.000 1.441 157 N CA 0.179 53.255 53.050 0.043 0.000 0.723 157 N CB 1.038 39.549 38.487 0.040 0.000 1.547 157 N HN 0.266 nan 8.380 nan 0.000 0.624 158 G N 0.427 109.239 108.800 0.018 0.000 4.144 158 G HA2 0.340 4.312 3.960 0.021 0.000 0.297 158 G HA3 0.340 4.312 3.960 0.021 0.000 0.297 158 G C -0.021 174.884 174.900 0.009 0.000 1.090 158 G CA -0.164 44.942 45.100 0.011 0.000 0.870 158 G HN 0.211 nan 8.290 nan 0.000 0.532 159 L N 1.514 122.745 121.223 0.013 0.000 2.416 159 L HA 0.226 4.579 4.340 0.021 0.000 0.272 159 L C 1.466 178.339 176.870 0.005 0.000 1.161 159 L CA -0.138 54.712 54.840 0.015 0.000 0.845 159 L CB 1.513 43.589 42.059 0.028 0.000 1.119 159 L HN 0.263 nan 8.230 nan 0.000 0.464 160 S N -0.579 115.123 115.700 0.003 0.000 2.593 160 S HA 0.218 4.701 4.470 0.021 0.000 0.236 160 S C 0.191 174.786 174.600 -0.008 0.000 0.991 160 S CA -0.368 57.828 58.200 -0.007 0.000 0.963 160 S CB 0.486 63.680 63.200 -0.010 0.000 0.865 160 S HN 0.578 nan 8.310 nan 0.000 0.488 161 S N 0.611 116.313 115.700 0.004 0.000 2.570 161 S HA 0.502 4.985 4.470 0.021 0.000 0.270 161 S C 0.394 175.013 174.600 0.031 0.000 1.149 161 S CA 0.075 58.280 58.200 0.008 0.000 0.837 161 S CB 1.237 64.441 63.200 0.006 0.000 1.124 161 S HN 0.390 nan 8.310 nan 0.000 0.465 162 T N -0.372 114.207 114.554 0.041 0.000 3.086 162 T HA 0.300 4.663 4.350 0.021 0.000 0.250 162 T C 0.499 175.267 174.700 0.114 0.000 1.074 162 T CA -0.005 62.144 62.100 0.082 0.000 0.988 162 T CB -0.277 68.643 68.868 0.087 0.000 0.988 162 T HN 0.485 nan 8.240 nan 0.000 0.530 163 K N 1.660 122.103 120.400 0.071 0.000 2.378 163 K HA 0.277 4.609 4.320 0.021 0.000 0.288 163 K C 0.122 176.765 176.600 0.072 0.000 1.057 163 K CA -0.173 56.148 56.287 0.056 0.000 0.971 163 K CB 0.174 32.687 32.500 0.020 0.000 0.975 163 K HN 0.347 nan 8.250 nan 0.000 0.475 164 L N 3.017 124.286 121.223 0.078 0.000 2.966 164 L HA 0.350 4.702 4.340 0.021 0.000 0.262 164 L C 0.684 177.587 176.870 0.056 0.000 1.165 164 L CA -0.444 54.473 54.840 0.129 0.000 0.978 164 L CB 1.088 43.307 42.059 0.266 0.000 1.337 164 L HN 0.809 nan 8.230 nan 0.000 0.563 165 G N -0.583 108.203 108.800 -0.023 0.000 2.495 165 G HA2 0.335 4.307 3.960 0.021 0.000 0.294 165 G HA3 0.335 4.307 3.960 0.021 0.000 0.294 165 G C -0.084 174.776 174.900 -0.067 0.000 1.397 165 G CA 0.435 45.502 45.100 -0.056 0.000 0.790 165 G HN -0.131 nan 8.290 nan 0.000 0.486 166 T N -3.002 111.513 114.554 -0.065 0.000 3.040 166 T HA 0.400 4.763 4.350 0.021 0.000 0.266 166 T C 0.435 175.100 174.700 -0.058 0.000 1.005 166 T CA 0.649 62.715 62.100 -0.056 0.000 0.906 166 T CB -0.088 68.753 68.868 -0.045 0.000 1.082 166 T HN 0.952 nan 8.240 nan 0.000 0.531 167 Q N -0.047 119.710 119.800 -0.071 0.000 2.462 167 Q HA 0.662 5.014 4.340 0.021 0.000 0.285 167 Q C -1.504 174.444 176.000 -0.088 0.000 1.035 167 Q CA -1.246 54.519 55.803 -0.064 0.000 0.799 167 Q CB 1.769 30.479 28.738 -0.046 0.000 1.452 167 Q HN -0.029 nan 8.270 nan 0.000 0.404 168 V N 2.943 122.814 119.914 -0.071 0.000 2.434 168 V HA -0.004 4.128 4.120 0.021 0.000 0.281 168 V C 0.109 176.163 176.094 -0.067 0.000 1.005 168 V CA 0.769 63.023 62.300 -0.077 0.000 1.089 168 V CB -0.854 30.945 31.823 -0.040 0.000 0.978 168 V HN 0.806 nan 8.190 nan 0.000 0.474 169 Q N 3.933 123.673 119.800 -0.101 0.000 2.893 169 Q HA 0.687 5.040 4.340 0.021 0.000 0.331 169 Q C -0.187 175.785 176.000 -0.047 0.000 0.893 169 Q CA -1.337 54.430 55.803 -0.060 0.000 0.783 169 Q CB 1.496 30.201 28.738 -0.054 0.000 1.440 169 Q HN 0.263 nan 8.270 nan 0.000 0.508 170 L N 0.269 121.499 121.223 0.012 0.000 3.739 170 L HA -0.276 4.076 4.340 0.021 0.000 0.442 170 L C 0.352 177.291 176.870 0.114 0.000 1.241 170 L CA 0.526 55.411 54.840 0.074 0.000 0.819 170 L CB -1.227 40.915 42.059 0.139 0.000 1.679 170 L HN 0.731 nan 8.230 nan 0.000 0.889 171 E N -0.197 120.046 120.200 0.073 0.000 2.204 171 E HA -0.126 4.236 4.350 0.021 0.000 0.195 171 E C 1.564 178.208 176.600 0.074 0.000 0.990 171 E CA 1.350 57.795 56.400 0.075 0.000 0.821 171 E CB -0.037 29.693 29.700 0.050 0.000 0.750 171 E HN 0.549 nan 8.360 nan 0.000 0.477 172 N N 0.168 118.903 118.700 0.060 0.000 2.280 172 N HA 0.035 4.788 4.740 0.021 0.000 0.192 172 N C -0.254 175.279 175.510 0.040 0.000 1.109 172 N CA -0.096 52.982 53.050 0.046 0.000 0.855 172 N CB 0.301 38.807 38.487 0.031 0.000 0.974 172 N HN 0.125 nan 8.380 nan 0.000 0.482 173 L N 1.426 122.682 121.223 0.055 0.000 2.455 173 L HA -0.008 4.345 4.340 0.021 0.000 0.272 173 L C 1.272 178.146 176.870 0.007 0.000 1.174 173 L CA 0.756 55.611 54.840 0.025 0.000 0.869 173 L CB 0.753 42.847 42.059 0.059 0.000 1.130 173 L HN 0.044 nan 8.230 nan 0.000 0.474 174 Q N 2.223 122.012 119.800 -0.018 0.000 2.422 174 Q HA 0.251 4.603 4.340 0.021 0.000 0.255 174 Q C -0.498 175.482 176.000 -0.034 0.000 0.864 174 Q CA 0.233 56.034 55.803 -0.002 0.000 0.968 174 Q CB 0.817 29.562 28.738 0.012 0.000 1.130 174 Q HN 0.650 nan 8.270 nan 0.000 0.556 175 E N 1.014 121.169 120.200 -0.075 0.000 2.218 175 E HA 0.389 4.752 4.350 0.021 0.000 0.263 175 E C -1.738 174.774 176.600 -0.147 0.000 0.879 175 E CA -0.542 55.799 56.400 -0.099 0.000 0.762 175 E CB 2.347 31.992 29.700 -0.091 0.000 1.166 175 E HN -0.101 nan 8.360 nan 0.000 0.415 176 L N 4.501 125.625 121.223 -0.164 0.000 2.345 176 L HA 0.380 4.732 4.340 0.021 0.000 0.274 176 L C -1.903 174.887 176.870 -0.134 0.000 0.999 176 L CA -0.546 54.182 54.840 -0.187 0.000 0.849 176 L CB 0.842 42.724 42.059 -0.295 0.000 1.220 176 L HN 0.454 nan 8.230 nan 0.000 0.422 177 L N 6.418 127.568 121.223 -0.122 0.000 2.262 177 L HA 0.422 4.774 4.340 0.021 0.000 0.288 177 L C 0.271 177.101 176.870 -0.066 0.000 1.035 177 L CA 0.224 55.008 54.840 -0.094 0.000 0.820 177 L CB 1.227 43.230 42.059 -0.092 0.000 1.204 177 L HN 0.596 nan 8.230 nan 0.000 0.424 178 L N 2.166 123.362 121.223 -0.046 0.000 3.202 178 L HA 0.236 4.588 4.340 0.021 0.000 0.278 178 L C 0.641 177.489 176.870 -0.037 0.000 1.268 178 L CA -0.188 54.636 54.840 -0.027 0.000 1.034 178 L CB 0.374 42.431 42.059 -0.004 0.000 1.407 178 L HN 0.689 nan 8.230 nan 0.000 0.581 179 S N -0.881 114.782 115.700 -0.062 0.000 2.579 179 S HA 0.151 4.633 4.470 0.021 0.000 0.275 179 S C 0.739 175.226 174.600 -0.188 0.000 1.345 179 S CA -0.405 57.736 58.200 -0.098 0.000 1.031 179 S CB 0.530 63.669 63.200 -0.102 0.000 0.892 179 S HN 0.510 nan 8.310 nan 0.000 0.529 180 N N 1.575 120.152 118.700 -0.206 0.000 2.727 180 N HA -0.154 4.598 4.740 0.021 0.000 0.251 180 N C -0.645 174.768 175.510 -0.162 0.000 1.040 180 N CA 0.604 53.493 53.050 -0.269 0.000 0.712 180 N CB -1.457 36.629 38.487 -0.669 0.000 0.912 180 N HN 0.705 nan 8.380 nan 0.000 0.545 181 N N 0.469 119.118 118.700 -0.084 0.000 3.124 181 N HA 0.347 5.099 4.740 0.021 0.000 0.350 181 N C 0.437 175.931 175.510 -0.028 0.000 1.411 181 N CA -0.429 52.596 53.050 -0.041 0.000 0.729 181 N CB 0.670 39.144 38.487 -0.023 0.000 1.379 181 N HN -0.034 nan 8.380 nan 0.000 0.599 182 K N 1.140 121.530 120.400 -0.017 0.000 2.758 182 K HA 0.426 4.759 4.320 0.021 0.000 0.208 182 K C -0.399 176.189 176.600 -0.020 0.000 1.091 182 K CA -0.248 56.029 56.287 -0.016 0.000 1.059 182 K CB -0.055 32.439 32.500 -0.010 0.000 0.801 182 K HN 0.448 nan 8.250 nan 0.000 0.470 183 I N 1.698 122.254 120.570 -0.022 0.000 2.587 183 I HA -0.039 4.143 4.170 0.021 0.000 0.284 183 I C 1.351 177.436 176.117 -0.052 0.000 1.134 183 I CA 0.524 61.806 61.300 -0.031 0.000 1.410 183 I CB 0.564 38.551 38.000 -0.022 0.000 1.392 183 I HN 0.092 nan 8.210 nan 0.000 0.545 184 Q N 5.077 124.838 119.800 -0.065 0.000 2.317 184 Q HA 0.431 4.783 4.340 0.021 0.000 0.220 184 Q C -0.004 175.915 176.000 -0.134 0.000 0.873 184 Q CA -0.110 55.642 55.803 -0.086 0.000 0.936 184 Q CB 1.122 29.823 28.738 -0.062 0.000 1.105 184 Q HN 0.824 nan 8.270 nan 0.000 0.520 185 A N 0.725 123.460 122.820 -0.141 0.000 2.594 185 A HA 0.616 4.949 4.320 0.021 0.000 0.296 185 A C -1.820 175.666 177.584 -0.164 0.000 1.061 185 A CA -0.656 51.269 52.037 -0.187 0.000 0.689 185 A CB 1.063 19.983 19.000 -0.133 0.000 1.280 185 A HN 0.141 nan 8.150 nan 0.000 0.406 186 L N 1.641 122.739 121.223 -0.208 0.000 2.333 186 L HA 0.570 4.922 4.340 0.021 0.000 0.280 186 L C -0.188 176.601 176.870 -0.135 0.000 1.004 186 L CA -0.474 54.271 54.840 -0.159 0.000 0.820 186 L CB 1.932 43.879 42.059 -0.186 0.000 1.247 186 L HN 0.759 nan 8.230 nan 0.000 0.416 187 K N 0.351 120.693 120.400 -0.097 0.000 2.340 187 K HA 0.370 4.702 4.320 0.021 0.000 0.244 187 K C 0.695 177.258 176.600 -0.061 0.000 0.973 187 K CA -0.567 55.677 56.287 -0.072 0.000 0.828 187 K CB 2.220 34.691 32.500 -0.048 0.000 1.226 187 K HN 0.590 nan 8.250 nan 0.000 0.437 188 S N 0.187 115.860 115.700 -0.044 0.000 2.387 188 S HA -0.114 4.368 4.470 0.021 0.000 0.226 188 S C 1.055 175.653 174.600 -0.004 0.000 1.026 188 S CA 0.838 59.026 58.200 -0.021 0.000 0.972 188 S CB -0.204 62.991 63.200 -0.007 0.000 0.814 188 S HN 0.620 nan 8.310 nan 0.000 0.477 189 E N 0.984 121.178 120.200 -0.011 0.000 2.512 189 E HA 0.057 4.420 4.350 0.021 0.000 0.195 189 E C 1.145 177.740 176.600 -0.008 0.000 1.083 189 E CA 0.293 56.687 56.400 -0.010 0.000 0.873 189 E CB 0.022 29.713 29.700 -0.015 0.000 0.897 189 E HN 0.714 nan 8.360 nan 0.000 0.514 190 E N -0.341 119.859 120.200 0.001 0.000 2.490 190 E HA 0.118 4.481 4.350 0.021 0.000 0.209 190 E C 1.199 177.834 176.600 0.058 0.000 0.971 190 E CA 0.074 56.484 56.400 0.015 0.000 0.988 190 E CB 0.661 30.366 29.700 0.008 0.000 1.029 190 E HN 0.152 nan 8.360 nan 0.000 0.496 191 L N 1.215 122.482 121.223 0.073 0.000 2.966 191 L HA 0.058 4.411 4.340 0.021 0.000 0.262 191 L C 1.236 178.203 176.870 0.162 0.000 1.165 191 L CA -0.057 54.894 54.840 0.185 0.000 0.978 191 L CB 0.528 42.686 42.059 0.165 0.000 1.337 191 L HN 0.050 nan 8.230 nan 0.000 0.563 192 D N 1.233 121.663 120.400 0.049 0.000 2.378 192 D HA -0.188 4.464 4.640 0.021 0.000 0.222 192 D C 1.703 177.974 176.300 -0.047 0.000 0.980 192 D CA 0.720 54.731 54.000 0.019 0.000 0.907 192 D CB -0.146 40.656 40.800 0.003 0.000 0.899 192 D HN 0.598 nan 8.370 nan 0.000 0.527 193 I N -3.832 116.631 120.570 -0.178 0.000 2.928 193 I HA 0.044 4.227 4.170 0.021 0.000 0.266 193 I C 0.745 176.619 176.117 -0.404 0.000 1.234 193 I CA 0.313 61.410 61.300 -0.339 0.000 1.483 193 I CB -0.582 37.124 38.000 -0.489 0.000 1.097 193 I HN -0.284 nan 8.210 nan 0.000 0.455 194 F N 1.716 121.674 119.950 0.015 0.000 2.660 194 F HA 0.497 5.036 4.527 0.021 0.000 0.297 194 F C 2.324 178.129 175.800 0.008 0.000 1.132 194 F CA 0.057 58.063 58.000 0.011 0.000 1.372 194 F CB -0.362 38.645 39.000 0.011 0.000 1.003 194 F HN 0.055 nan 8.300 nan 0.000 0.524 195 A N 0.173 123.058 122.820 0.108 0.000 2.076 195 A HA -0.209 4.123 4.320 0.021 0.000 0.220 195 A C 1.690 179.314 177.584 0.065 0.000 1.160 195 A CA 1.804 53.886 52.037 0.075 0.000 0.653 195 A CB -0.469 18.553 19.000 0.037 0.000 0.801 195 A HN 0.377 nan 8.150 nan 0.000 0.455 196 N N -0.814 117.928 118.700 0.070 0.000 2.187 196 N HA 0.168 4.920 4.740 0.021 0.000 0.212 196 N C -0.628 174.929 175.510 0.078 0.000 1.152 196 N CA 0.104 53.190 53.050 0.060 0.000 0.872 196 N CB 0.691 39.203 38.487 0.043 0.000 1.025 196 N HN 0.222 nan 8.380 nan 0.000 0.514 197 S N -0.553 115.216 115.700 0.116 0.000 2.617 197 S HA 0.487 4.969 4.470 0.021 0.000 0.283 197 S C -0.088 174.548 174.600 0.060 0.000 1.189 197 S CA -0.654 57.619 58.200 0.121 0.000 1.036 197 S CB 1.614 64.949 63.200 0.226 0.000 1.014 197 S HN -0.023 nan 8.310 nan 0.000 0.522 198 S N 2.217 117.952 115.700 0.058 0.000 2.516 198 S HA 0.347 4.829 4.470 0.021 0.000 0.268 198 S C -0.448 174.197 174.600 0.075 0.000 1.251 198 S CA -0.584 57.644 58.200 0.047 0.000 1.153 198 S CB -0.191 63.109 63.200 0.166 0.000 1.009 198 S HN 0.481 nan 8.310 nan 0.000 0.479 199 L N 3.582 124.791 121.223 -0.022 0.000 2.315 199 L HA 0.331 4.683 4.340 0.021 0.000 0.283 199 L C 1.339 178.291 176.870 0.138 0.000 1.089 199 L CA -0.282 54.557 54.840 -0.002 0.000 0.833 199 L CB 0.575 42.564 42.059 -0.117 0.000 1.170 199 L HN 0.511 nan 8.230 nan 0.000 0.442 200 K N 2.144 122.662 120.400 0.198 0.000 2.305 200 K HA 0.030 4.362 4.320 0.021 0.000 0.199 200 K C 0.432 177.139 176.600 0.179 0.000 1.047 200 K CA 0.783 57.219 56.287 0.248 0.000 0.976 200 K CB 0.292 32.870 32.500 0.129 0.000 0.765 200 K HN 0.365 nan 8.250 nan 0.000 0.474 201 K N 1.097 121.561 120.400 0.107 0.000 2.581 201 K HA 0.211 4.543 4.320 0.021 0.000 0.249 201 K C -2.094 174.532 176.600 0.043 0.000 0.966 201 K CA -0.597 55.765 56.287 0.124 0.000 0.811 201 K CB 1.320 33.844 32.500 0.040 0.000 1.223 201 K HN -0.146 nan 8.250 nan 0.000 0.438 202 L N 3.920 125.208 121.223 0.107 0.000 2.388 202 L HA 0.430 4.783 4.340 0.021 0.000 0.267 202 L C -1.200 175.752 176.870 0.137 0.000 0.995 202 L CA -0.239 54.629 54.840 0.047 0.000 0.864 202 L CB 1.331 43.407 42.059 0.028 0.000 1.216 202 L HN 0.616 nan 8.230 nan 0.000 0.430 203 E N 4.515 124.739 120.200 0.041 0.000 2.014 203 E HA 0.329 4.691 4.350 0.021 0.000 0.275 203 E C -0.639 175.987 176.600 0.043 0.000 0.997 203 E CA 0.280 56.695 56.400 0.025 0.000 0.804 203 E CB 0.491 30.102 29.700 -0.149 0.000 1.090 203 E HN 0.740 nan 8.360 nan 0.000 0.401 204 L N 3.033 124.322 121.223 0.110 0.000 3.110 204 L HA 0.302 4.655 4.340 0.021 0.000 0.266 204 L C 0.012 176.933 176.870 0.086 0.000 1.257 204 L CA -0.273 54.624 54.840 0.096 0.000 1.038 204 L CB 0.502 42.651 42.059 0.150 0.000 1.395 204 L HN 0.318 nan 8.230 nan 0.000 0.566 205 S N -0.360 115.381 115.700 0.069 0.000 2.579 205 S HA 0.104 4.587 4.470 0.021 0.000 0.275 205 S C 1.046 175.648 174.600 0.003 0.000 1.345 205 S CA -0.119 58.112 58.200 0.052 0.000 1.031 205 S CB 0.953 64.180 63.200 0.044 0.000 0.892 205 S HN 0.426 nan 8.310 nan 0.000 0.529 206 S N 1.588 117.292 115.700 0.007 0.000 3.682 206 S HA -0.147 4.336 4.470 0.021 0.000 0.354 206 S C -0.399 174.189 174.600 -0.021 0.000 1.034 206 S CA 0.320 58.510 58.200 -0.016 0.000 1.084 206 S CB -1.483 61.686 63.200 -0.053 0.000 0.903 206 S HN 0.708 nan 8.310 nan 0.000 0.470 207 N N 1.340 120.041 118.700 0.001 0.000 2.354 207 N HA 0.206 4.959 4.740 0.021 0.000 0.287 207 N C -0.539 174.971 175.510 -0.001 0.000 1.016 207 N CA -0.604 52.443 53.050 -0.006 0.000 0.871 207 N CB 1.256 39.743 38.487 0.001 0.000 1.299 207 N HN 0.099 nan 8.380 nan 0.000 0.482 208 Q N 2.263 122.055 119.800 -0.013 0.000 3.184 208 Q HA 0.311 4.663 4.340 0.021 0.000 0.288 208 Q C 0.139 176.110 176.000 -0.048 0.000 1.412 208 Q CA -0.060 55.733 55.803 -0.016 0.000 0.991 208 Q CB -0.314 28.418 28.738 -0.010 0.000 1.688 208 Q HN 0.538 nan 8.270 nan 0.000 0.554 209 I N 1.594 122.121 120.570 -0.072 0.000 2.517 209 I HA -0.015 4.168 4.170 0.021 0.000 0.285 209 I C 1.284 177.278 176.117 -0.205 0.000 1.106 209 I CA 0.166 61.355 61.300 -0.186 0.000 1.402 209 I CB 0.591 38.423 38.000 -0.280 0.000 1.399 209 I HN -0.014 nan 8.210 nan 0.000 0.535 210 K N 4.934 125.204 120.400 -0.216 0.000 2.374 210 K HA 0.306 4.639 4.320 0.021 0.000 0.202 210 K C -0.039 176.453 176.600 -0.180 0.000 1.040 210 K CA 0.240 56.439 56.287 -0.146 0.000 1.085 210 K CB 0.790 33.244 32.500 -0.077 0.000 0.873 210 K HN 0.591 nan 8.250 nan 0.000 0.539 211 E N -0.109 119.887 120.200 -0.340 0.000 2.335 211 E HA 0.277 4.640 4.350 0.021 0.000 0.280 211 E C -1.584 174.748 176.600 -0.446 0.000 0.918 211 E CA -0.428 55.813 56.400 -0.265 0.000 0.765 211 E CB 1.302 30.926 29.700 -0.127 0.000 1.218 211 E HN -0.159 nan 8.360 nan 0.000 0.425 212 F N 1.967 121.904 119.950 -0.022 0.000 2.359 212 F HA 0.299 4.838 4.527 0.021 0.000 0.369 212 F C 0.405 176.164 175.800 -0.068 0.000 1.084 212 F CA -0.575 57.388 58.000 -0.063 0.000 1.096 212 F CB 1.703 40.701 39.000 -0.003 0.000 1.335 212 F HN 0.153 nan 8.300 nan 0.000 0.457 213 S N 3.902 119.616 115.700 0.023 0.000 2.549 213 S HA 0.117 4.600 4.470 0.021 0.000 0.286 213 S C -2.273 172.335 174.600 0.013 0.000 1.314 213 S CA -0.862 57.341 58.200 0.005 0.000 1.062 213 S CB 0.302 63.484 63.200 -0.030 0.000 0.865 213 S HN 0.258 nan 8.310 nan 0.000 0.498 214 P HA 0.067 nan 4.420 nan 0.000 0.256 214 P C 0.867 178.180 177.300 0.023 0.000 1.173 214 P CA 1.245 64.360 63.100 0.025 0.000 0.768 214 P CB -0.071 31.634 31.700 0.008 0.000 0.758 215 G N 2.766 111.605 108.800 0.066 0.000 2.176 215 G HA2 -0.360 3.612 3.960 0.021 0.000 0.232 215 G HA3 -0.360 3.612 3.960 0.021 0.000 0.232 215 G C 1.257 176.204 174.900 0.077 0.000 0.986 215 G CA 0.083 45.249 45.100 0.109 0.000 0.643 215 G HN 0.655 nan 8.290 nan 0.000 0.522 216 C N -1.159 118.116 119.300 -0.042 0.000 2.403 216 C HA 0.141 4.614 4.460 0.021 0.000 0.277 216 C C 2.206 177.046 174.990 -0.249 0.000 1.248 216 C CA 1.738 60.638 59.018 -0.198 0.000 1.762 216 C CB -1.448 26.076 27.740 -0.359 0.000 2.014 216 C HN 0.332 nan 8.230 nan 0.000 0.486 217 F N 0.490 120.443 119.950 0.005 0.000 2.743 217 F HA 0.168 4.708 4.527 0.021 0.000 0.297 217 F C 2.286 177.976 175.800 -0.182 0.000 1.131 217 F CA 1.000 58.937 58.000 -0.104 0.000 1.426 217 F CB -0.908 37.983 39.000 -0.181 0.000 1.116 217 F HN 0.316 nan 8.300 nan 0.000 0.583 218 H N -1.181 117.965 119.070 0.127 0.000 2.547 218 H HA 0.235 4.803 4.556 0.021 0.000 0.266 218 H C 2.111 177.468 175.328 0.048 0.000 0.988 218 H CA 0.592 56.679 56.048 0.065 0.000 1.147 218 H CB 0.153 29.932 29.762 0.029 0.000 1.365 218 H HN 0.178 nan 8.280 nan 0.000 0.589 219 A N 0.566 123.468 122.820 0.135 0.000 2.067 219 A HA 0.055 4.388 4.320 0.021 0.000 0.217 219 A C 0.901 178.556 177.584 0.117 0.000 1.156 219 A CA 0.333 52.432 52.037 0.104 0.000 0.683 219 A CB -0.155 18.892 19.000 0.079 0.000 0.808 219 A HN 0.226 nan 8.150 nan 0.000 0.455 220 I N -0.754 119.888 120.570 0.120 0.000 2.472 220 I HA 0.274 4.456 4.170 0.021 0.000 0.290 220 I C 1.840 177.990 176.117 0.054 0.000 1.016 220 I CA -0.209 61.159 61.300 0.114 0.000 1.348 220 I CB 1.406 39.450 38.000 0.073 0.000 1.417 220 I HN 0.208 nan 8.210 nan 0.000 0.521 221 G N 5.947 114.777 108.800 0.050 0.000 2.545 221 G HA2 -0.112 3.860 3.960 0.021 0.000 0.217 221 G HA3 -0.112 3.860 3.960 0.021 0.000 0.217 221 G C 0.721 175.586 174.900 -0.057 0.000 1.218 221 G CA 0.594 45.703 45.100 0.014 0.000 0.787 221 G HN 0.581 nan 8.290 nan 0.000 0.571 222 R N -0.963 119.449 120.500 -0.146 0.000 2.533 222 R HA 0.450 4.802 4.340 0.021 0.000 0.288 222 R C -2.011 173.980 176.300 -0.514 0.000 1.039 222 R CA -0.757 55.123 56.100 -0.365 0.000 0.909 222 R CB 2.088 32.106 30.300 -0.470 0.000 1.195 222 R HN 0.193 nan 8.270 nan 0.000 0.438 223 L N 3.439 124.353 121.223 -0.514 0.000 2.305 223 L HA 0.436 4.789 4.340 0.021 0.000 0.284 223 L C -0.675 175.924 176.870 -0.452 0.000 1.013 223 L CA 0.042 54.642 54.840 -0.400 0.000 0.819 223 L CB 0.955 42.875 42.059 -0.233 0.000 1.227 223 L HN 0.611 nan 8.230 nan 0.000 0.417 224 F N 2.787 122.709 119.950 -0.046 0.000 2.559 224 F HA 0.527 5.067 4.527 0.021 0.000 0.286 224 F C 1.342 177.107 175.800 -0.060 0.000 1.108 224 F CA 0.023 57.998 58.000 -0.042 0.000 1.436 224 F CB 0.211 39.201 39.000 -0.017 0.000 1.130 224 F HN 0.547 nan 8.300 nan 0.000 0.584 225 G N 0.630 109.499 108.800 0.116 0.000 2.719 225 G HA2 0.551 4.523 3.960 0.021 0.000 0.298 225 G HA3 0.551 4.523 3.960 0.021 0.000 0.298 225 G C -2.319 172.577 174.900 -0.006 0.000 1.433 225 G CA -0.431 44.686 45.100 0.028 0.000 1.034 225 G HN -0.063 nan 8.290 nan 0.000 0.517 226 L N 1.751 122.863 121.223 -0.186 0.000 2.381 226 L HA 0.854 5.207 4.340 0.021 0.000 0.274 226 L C -1.736 174.980 176.870 -0.257 0.000 0.988 226 L CA -1.194 53.568 54.840 -0.130 0.000 0.824 226 L CB 1.388 43.296 42.059 -0.251 0.000 1.263 226 L HN 0.365 nan 8.230 nan 0.000 0.410 227 F N 6.038 125.976 119.950 -0.021 0.000 2.427 227 F HA 0.537 5.076 4.527 0.020 0.000 0.348 227 F C 0.049 175.867 175.800 0.030 0.000 1.125 227 F CA -0.400 57.599 58.000 -0.001 0.000 0.989 227 F CB 1.463 40.454 39.000 -0.014 0.000 1.165 227 F HN 0.254 nan 8.300 nan 0.000 0.442 228 L N 3.917 125.240 121.223 0.167 0.000 3.059 228 L HA 0.313 4.665 4.340 0.021 0.000 0.298 228 L C -0.465 176.488 176.870 0.138 0.000 1.304 228 L CA -0.192 54.745 54.840 0.162 0.000 0.855 228 L CB -0.079 42.086 42.059 0.176 0.000 1.266 228 L HN 0.550 nan 8.230 nan 0.000 0.572 229 N N 0.498 119.280 118.700 0.137 0.000 2.525 229 N HA 0.088 4.840 4.740 0.021 0.000 0.271 229 N C 0.579 176.131 175.510 0.071 0.000 1.194 229 N CA -0.369 52.742 53.050 0.101 0.000 0.964 229 N CB 0.238 38.780 38.487 0.093 0.000 1.126 229 N HN 0.198 nan 8.380 nan 0.000 0.452 230 N N 0.121 118.855 118.700 0.057 0.000 2.735 230 N HA -0.179 4.573 4.740 0.021 0.000 0.248 230 N C -1.856 173.684 175.510 0.051 0.000 1.083 230 N CA 0.345 53.419 53.050 0.040 0.000 0.703 230 N CB -0.902 37.592 38.487 0.011 0.000 1.005 230 N HN 0.257 nan 8.380 nan 0.000 0.550 231 V N 1.669 121.628 119.914 0.076 0.000 2.376 231 V HA 0.243 4.376 4.120 0.021 0.000 0.287 231 V C 0.330 176.479 176.094 0.092 0.000 1.015 231 V CA -0.681 61.669 62.300 0.083 0.000 0.834 231 V CB 1.682 33.575 31.823 0.118 0.000 1.001 231 V HN 0.203 nan 8.190 nan 0.000 0.428 232 Q N 4.512 124.355 119.800 0.071 0.000 2.337 232 Q HA 0.247 4.599 4.340 0.021 0.000 0.255 232 Q C 0.375 176.426 176.000 0.085 0.000 1.205 232 Q CA 0.145 55.992 55.803 0.072 0.000 0.902 232 Q CB 0.533 29.302 28.738 0.052 0.000 1.433 232 Q HN 0.692 nan 8.270 nan 0.000 0.471 233 L N 1.106 122.393 121.223 0.107 0.000 2.416 233 L HA 0.390 4.743 4.340 0.021 0.000 0.188 233 L C 1.025 177.953 176.870 0.096 0.000 1.145 233 L CA 0.436 55.352 54.840 0.128 0.000 0.826 233 L CB -0.170 41.991 42.059 0.170 0.000 1.064 233 L HN 0.819 nan 8.230 nan 0.000 0.490 234 G N -0.500 108.351 108.800 0.085 0.000 2.712 234 G HA2 -0.157 3.815 3.960 0.021 0.000 0.683 234 G HA3 -0.157 3.815 3.960 0.021 0.000 0.683 234 G C -2.460 172.462 174.900 0.037 0.000 1.320 234 G CA -0.430 44.707 45.100 0.062 0.000 0.847 234 G HN 0.047 nan 8.290 nan 0.000 0.553 235 P HA -0.069 nan 4.420 nan 0.000 0.215 235 P C 2.154 179.428 177.300 -0.044 0.000 1.157 235 P CA 2.309 65.390 63.100 -0.032 0.000 0.874 235 P CB -0.010 31.679 31.700 -0.019 0.000 0.790 236 S N -0.804 114.890 115.700 -0.009 0.000 2.368 236 S HA -0.118 4.364 4.470 0.021 0.000 0.225 236 S C 1.759 176.369 174.600 0.018 0.000 1.030 236 S CA 0.944 59.143 58.200 -0.002 0.000 0.999 236 S CB -1.056 62.151 63.200 0.013 0.000 0.844 236 S HN 0.040 nan 8.310 nan 0.000 0.459 237 L N 1.597 122.851 121.223 0.052 0.000 2.240 237 L HA 0.040 4.392 4.340 0.021 0.000 0.211 237 L C 2.182 179.108 176.870 0.093 0.000 1.106 237 L CA 1.586 56.496 54.840 0.116 0.000 0.793 237 L CB -1.216 40.944 42.059 0.167 0.000 0.927 237 L HN 0.209 nan 8.230 nan 0.000 0.446 238 T N -1.083 113.485 114.554 0.022 0.000 2.867 238 T HA -0.187 4.176 4.350 0.021 0.000 0.268 238 T C 1.723 176.353 174.700 -0.116 0.000 1.057 238 T CA 1.415 63.488 62.100 -0.045 0.000 1.136 238 T CB -0.026 68.792 68.868 -0.084 0.000 0.874 238 T HN 0.422 nan 8.240 nan 0.000 0.466 239 E N 0.970 121.100 120.200 -0.117 0.000 2.106 239 E HA -0.113 4.250 4.350 0.021 0.000 0.192 239 E C 2.076 178.641 176.600 -0.059 0.000 0.984 239 E CA 0.921 57.251 56.400 -0.117 0.000 0.806 239 E CB 0.084 29.723 29.700 -0.102 0.000 0.750 239 E HN 0.385 nan 8.360 nan 0.000 0.458 240 K N 0.175 120.562 120.400 -0.022 0.000 2.155 240 K HA -0.127 4.206 4.320 0.021 0.000 0.203 240 K C 2.212 178.787 176.600 -0.043 0.000 1.052 240 K CA 0.779 57.073 56.287 0.013 0.000 0.948 240 K CB -0.105 32.447 32.500 0.087 0.000 0.728 240 K HN 0.130 nan 8.250 nan 0.000 0.448 241 L N 0.953 122.075 121.223 -0.169 0.000 2.056 241 L HA -0.164 4.188 4.340 0.021 0.000 0.207 241 L C 1.951 178.705 176.870 -0.194 0.000 1.078 241 L CA 1.768 56.346 54.840 -0.437 0.000 0.749 241 L CB -0.537 41.153 42.059 -0.616 0.000 0.901 241 L HN 0.125 nan 8.230 nan 0.000 0.433 242 C N -0.615 118.629 119.300 -0.092 0.000 2.432 242 C HA -0.046 4.427 4.460 0.021 0.000 0.280 242 C C 2.771 177.781 174.990 0.034 0.000 1.353 242 C CA 0.585 59.601 59.018 -0.003 0.000 1.766 242 C CB -1.180 26.601 27.740 0.068 0.000 1.924 242 C HN 0.626 nan 8.230 nan 0.000 0.509 243 L N 0.704 121.939 121.223 0.021 0.000 2.156 243 L HA -0.077 4.275 4.340 0.021 0.000 0.208 243 L C 2.470 179.372 176.870 0.053 0.000 1.095 243 L CA 1.310 56.175 54.840 0.041 0.000 0.770 243 L CB -0.306 41.764 42.059 0.018 0.000 0.914 243 L HN 0.294 nan 8.230 nan 0.000 0.439 244 E N -0.227 120.012 120.200 0.066 0.000 2.358 244 E HA -0.073 4.289 4.350 0.021 0.000 0.195 244 E C 2.007 178.692 176.600 0.142 0.000 1.010 244 E CA 0.660 57.151 56.400 0.150 0.000 0.856 244 E CB 0.155 29.979 29.700 0.206 0.000 0.795 244 E HN 0.515 nan 8.360 nan 0.000 0.504 245 L N 0.381 121.624 121.223 0.035 0.000 2.567 245 L HA 0.192 4.544 4.340 0.021 0.000 0.225 245 L C 0.947 177.820 176.870 0.006 0.000 1.119 245 L CA -0.299 54.499 54.840 -0.071 0.000 0.871 245 L CB 0.005 41.979 42.059 -0.142 0.000 1.036 245 L HN -0.131 nan 8.230 nan 0.000 0.459 246 A N 0.630 123.506 122.820 0.093 0.000 2.520 246 A HA 0.079 4.411 4.320 0.021 0.000 0.245 246 A C 0.786 178.458 177.584 0.147 0.000 1.072 246 A CA 0.061 52.186 52.037 0.146 0.000 0.761 246 A CB -0.093 18.931 19.000 0.040 0.000 1.004 246 A HN 0.574 nan 8.150 nan 0.000 0.499 247 N N -0.313 118.487 118.700 0.167 0.000 2.782 247 N HA -0.154 4.599 4.740 0.021 0.000 0.251 247 N C 0.336 175.941 175.510 0.158 0.000 1.101 247 N CA 1.621 54.766 53.050 0.158 0.000 0.764 247 N CB -1.895 36.634 38.487 0.070 0.000 1.122 247 N HN 1.133 nan 8.380 nan 0.000 0.561 248 T N -4.227 110.361 114.554 0.057 0.000 2.923 248 T HA 0.524 4.887 4.350 0.021 0.000 0.281 248 T C 1.136 175.814 174.700 -0.035 0.000 0.995 248 T CA -0.367 61.699 62.100 -0.057 0.000 0.985 248 T CB 1.602 70.349 68.868 -0.202 0.000 1.114 248 T HN -0.045 nan 8.240 nan 0.000 0.548 249 S N -0.105 115.535 115.700 -0.101 0.000 2.631 249 S HA 0.169 4.652 4.470 0.021 0.000 0.217 249 S C 0.728 175.337 174.600 0.015 0.000 0.958 249 S CA -0.519 57.647 58.200 -0.057 0.000 0.920 249 S CB -0.880 62.185 63.200 -0.224 0.000 0.776 249 S HN 0.649 nan 8.310 nan 0.000 0.517 250 I N 2.832 123.374 120.570 -0.047 0.000 2.906 250 I HA -0.114 4.068 4.170 0.021 0.000 0.301 250 I C 1.132 177.271 176.117 0.036 0.000 1.221 250 I CA 0.790 62.072 61.300 -0.031 0.000 1.435 250 I CB 0.370 38.297 38.000 -0.122 0.000 1.345 250 I HN 0.105 nan 8.210 nan 0.000 0.558 251 R N 3.734 124.276 120.500 0.070 0.000 2.276 251 R HA 0.272 4.624 4.340 0.021 0.000 0.195 251 R C -0.258 176.046 176.300 0.006 0.000 0.908 251 R CA -0.140 55.994 56.100 0.057 0.000 1.083 251 R CB 0.215 30.571 30.300 0.093 0.000 1.182 251 R HN 0.522 nan 8.270 nan 0.000 0.608 252 N N 0.869 119.551 118.700 -0.032 0.000 2.354 252 N HA 0.323 5.075 4.740 0.021 0.000 0.287 252 N C -1.809 173.566 175.510 -0.226 0.000 1.016 252 N CA -0.489 52.495 53.050 -0.110 0.000 0.871 252 N CB 2.295 40.706 38.487 -0.127 0.000 1.299 252 N HN -0.079 nan 8.380 nan 0.000 0.482 253 L N 1.031 122.122 121.223 -0.220 0.000 2.406 253 L HA 0.601 4.954 4.340 0.021 0.000 0.272 253 L C -0.825 175.912 176.870 -0.221 0.000 0.980 253 L CA -0.262 54.434 54.840 -0.241 0.000 0.831 253 L CB 1.894 43.869 42.059 -0.139 0.000 1.253 253 L HN 0.443 nan 8.230 nan 0.000 0.406 254 S N 5.412 120.930 115.700 -0.304 0.000 2.530 254 S HA 0.672 5.154 4.470 0.021 0.000 0.322 254 S C -0.396 174.192 174.600 -0.021 0.000 1.085 254 S CA -0.471 57.627 58.200 -0.171 0.000 1.096 254 S CB 0.508 63.544 63.200 -0.273 0.000 0.988 254 S HN 0.658 nan 8.310 nan 0.000 0.466 255 L N 3.776 125.037 121.223 0.064 0.000 3.186 255 L HA 0.367 4.719 4.340 0.021 0.000 0.292 255 L C 0.486 177.440 176.870 0.141 0.000 1.303 255 L CA -0.322 54.590 54.840 0.119 0.000 0.940 255 L CB 0.875 43.035 42.059 0.168 0.000 1.358 255 L HN 0.525 nan 8.230 nan 0.000 0.581 256 S N 1.158 116.933 115.700 0.125 0.000 2.531 256 S HA 0.131 4.613 4.470 0.021 0.000 0.279 256 S C 0.952 175.628 174.600 0.127 0.000 1.305 256 S CA 0.059 58.346 58.200 0.146 0.000 1.058 256 S CB 0.137 63.413 63.200 0.126 0.000 0.899 256 S HN 0.656 nan 8.310 nan 0.000 0.493 257 N N 2.376 121.172 118.700 0.161 0.000 2.738 257 N HA -0.174 4.578 4.740 0.021 0.000 0.249 257 N C 0.234 175.808 175.510 0.107 0.000 1.047 257 N CA 1.001 54.129 53.050 0.129 0.000 0.707 257 N CB -1.429 37.095 38.487 0.063 0.000 0.937 257 N HN 0.601 nan 8.380 nan 0.000 0.545 258 S N -0.666 115.108 115.700 0.124 0.000 2.602 258 S HA 0.181 4.663 4.470 0.021 0.000 0.240 258 S C 0.461 175.127 174.600 0.110 0.000 0.992 258 S CA 0.248 58.518 58.200 0.117 0.000 0.971 258 S CB 0.271 63.552 63.200 0.134 0.000 0.855 258 S HN 0.387 nan 8.310 nan 0.000 0.481 259 Q N -0.030 119.834 119.800 0.106 0.000 2.475 259 Q HA -0.175 4.177 4.340 0.021 0.000 0.280 259 Q C -0.623 175.434 176.000 0.095 0.000 1.234 259 Q CA 0.416 56.275 55.803 0.094 0.000 0.873 259 Q CB -1.773 27.012 28.738 0.077 0.000 1.256 259 Q HN 0.646 nan 8.270 nan 0.000 0.475 260 L N 0.337 121.629 121.223 0.115 0.000 2.404 260 L HA 0.128 4.480 4.340 0.021 0.000 0.277 260 L C 1.040 177.977 176.870 0.111 0.000 1.184 260 L CA 0.701 55.612 54.840 0.118 0.000 1.013 260 L CB 0.752 42.910 42.059 0.166 0.000 1.318 260 L HN 0.084 nan 8.230 nan 0.000 0.435 261 S N 0.723 116.475 115.700 0.087 0.000 2.387 261 S HA -0.012 4.470 4.470 0.021 0.000 0.226 261 S C 0.805 175.454 174.600 0.082 0.000 1.026 261 S CA 1.230 59.478 58.200 0.079 0.000 0.972 261 S CB -0.270 62.969 63.200 0.066 0.000 0.814 261 S HN 0.823 nan 8.310 nan 0.000 0.477 262 T N -0.288 114.314 114.554 0.079 0.000 2.864 262 T HA 0.642 5.004 4.350 0.021 0.000 0.299 262 T C -0.808 173.936 174.700 0.074 0.000 1.166 262 T CA -0.838 61.310 62.100 0.079 0.000 1.007 262 T CB 2.143 71.048 68.868 0.062 0.000 1.219 262 T HN 0.122 nan 8.240 nan 0.000 0.506 263 T N -1.326 113.272 114.554 0.074 0.000 2.909 263 T HA 0.821 5.183 4.350 0.021 0.000 0.299 263 T C -0.231 174.472 174.700 0.004 0.000 1.073 263 T CA -0.510 61.613 62.100 0.038 0.000 0.999 263 T CB 1.608 70.548 68.868 0.120 0.000 1.098 263 T HN 1.318 nan 8.240 nan 0.000 0.477 264 S N 0.864 116.544 115.700 -0.034 0.000 2.740 264 S HA 0.454 4.936 4.470 0.021 0.000 0.300 264 S C 0.658 175.264 174.600 0.010 0.000 1.147 264 S CA -0.651 57.540 58.200 -0.015 0.000 0.871 264 S CB 1.232 64.424 63.200 -0.012 0.000 1.173 264 S HN 0.855 nan 8.310 nan 0.000 0.510 265 N N -0.008 118.725 118.700 0.055 0.000 2.521 265 N HA -0.039 4.713 4.740 0.021 0.000 0.188 265 N C 1.051 176.757 175.510 0.327 0.000 1.146 265 N CA 1.185 54.350 53.050 0.191 0.000 0.893 265 N CB -0.651 37.918 38.487 0.136 0.000 0.975 265 N HN 0.812 nan 8.380 nan 0.000 0.451 266 T N -5.428 109.193 114.554 0.112 0.000 2.978 266 T HA 0.096 4.458 4.350 0.021 0.000 0.248 266 T C 1.588 176.238 174.700 -0.085 0.000 1.018 266 T CA 0.369 62.465 62.100 -0.007 0.000 1.026 266 T CB -0.612 68.234 68.868 -0.036 0.000 1.032 266 T HN -0.030 nan 8.240 nan 0.000 0.485 267 T N 1.987 116.465 114.554 -0.126 0.000 2.653 267 T HA -0.063 4.299 4.350 0.021 0.000 0.268 267 T C 0.621 175.028 174.700 -0.489 0.000 1.035 267 T CA 1.546 63.425 62.100 -0.368 0.000 1.154 267 T CB -0.495 68.031 68.868 -0.570 0.000 0.862 267 T HN 0.477 nan 8.240 nan 0.000 0.441 268 F N 0.125 120.125 119.950 0.083 0.000 2.668 268 F HA 0.421 4.960 4.527 0.021 0.000 0.301 268 F C 1.234 177.028 175.800 -0.011 0.000 1.106 268 F CA -0.863 57.197 58.000 0.101 0.000 1.289 268 F CB -0.214 38.913 39.000 0.212 0.000 1.006 268 F HN -0.019 nan 8.300 nan 0.000 0.535 269 L N 0.913 122.026 121.223 -0.182 0.000 2.127 269 L HA -0.047 4.306 4.340 0.021 0.000 0.211 269 L C 2.328 179.028 176.870 -0.284 0.000 1.089 269 L CA 2.017 56.445 54.840 -0.687 0.000 0.757 269 L CB -1.203 40.388 42.059 -0.780 0.000 0.899 269 L HN 0.236 nan 8.230 nan 0.000 0.434 270 G N -0.757 108.038 108.800 -0.008 0.000 2.448 270 G HA2 -0.197 3.775 3.960 0.021 0.000 0.219 270 G HA3 -0.197 3.775 3.960 0.021 0.000 0.219 270 G C 1.478 176.528 174.900 0.250 0.000 1.127 270 G CA 0.704 45.929 45.100 0.208 0.000 0.766 270 G HN 0.457 nan 8.290 nan 0.000 0.552 271 L N 0.373 121.692 121.223 0.160 0.000 2.622 271 L HA 0.075 4.427 4.340 0.021 0.000 0.233 271 L C 2.626 179.563 176.870 0.111 0.000 1.156 271 L CA 0.258 55.189 54.840 0.152 0.000 0.866 271 L CB -0.185 41.968 42.059 0.156 0.000 0.980 271 L HN 0.170 nan 8.230 nan 0.000 0.448 272 K N 0.845 121.252 120.400 0.012 0.000 2.097 272 K HA -0.179 4.153 4.320 0.021 0.000 0.206 272 K C 1.093 177.600 176.600 -0.154 0.000 1.049 272 K CA 1.121 57.315 56.287 -0.155 0.000 0.933 272 K CB 0.020 32.200 32.500 -0.533 0.000 0.717 272 K HN 0.401 nan 8.250 nan 0.000 0.442 273 W N 3.210 124.527 121.300 0.028 0.000 3.387 273 W HA 0.063 4.735 4.660 0.021 0.000 0.403 273 W C 0.413 176.949 176.519 0.028 0.000 1.073 273 W CA 0.062 57.424 57.345 0.029 0.000 1.866 273 W CB -0.672 28.802 29.460 0.022 0.000 0.981 273 W HN 0.066 nan 8.180 nan 0.000 0.802 274 T N -2.445 112.215 114.554 0.177 0.000 2.864 274 T HA 0.334 4.696 4.350 0.021 0.000 0.289 274 T C -0.010 174.727 174.700 0.062 0.000 1.082 274 T CA -0.689 61.477 62.100 0.109 0.000 1.009 274 T CB 2.083 70.994 68.868 0.072 0.000 1.234 274 T HN -0.134 nan 8.240 nan 0.000 0.526 275 N N 0.965 119.693 118.700 0.046 0.000 2.610 275 N HA 0.250 5.002 4.740 0.021 0.000 0.309 275 N C -0.731 174.781 175.510 0.003 0.000 1.536 275 N CA -0.371 52.693 53.050 0.024 0.000 0.954 275 N CB 0.368 38.881 38.487 0.043 0.000 1.310 275 N HN 0.558 nan 8.380 nan 0.000 0.502 276 L N 1.516 122.727 121.223 -0.019 0.000 2.513 276 L HA 0.057 4.409 4.340 0.021 0.000 0.272 276 L C 1.539 178.365 176.870 -0.072 0.000 1.187 276 L CA 0.855 55.669 54.840 -0.044 0.000 0.895 276 L CB 0.639 42.656 42.059 -0.070 0.000 1.147 276 L HN 0.261 nan 8.230 nan 0.000 0.483 277 T N 1.836 116.367 114.554 -0.038 0.000 2.971 277 T HA 0.270 4.632 4.350 0.021 0.000 0.252 277 T C 0.466 175.179 174.700 0.021 0.000 1.022 277 T CA -0.286 61.790 62.100 -0.041 0.000 0.980 277 T CB 0.245 69.120 68.868 0.012 0.000 1.044 277 T HN 0.400 nan 8.240 nan 0.000 0.501 278 M N 1.693 121.328 119.600 0.059 0.000 2.327 278 M HA 0.700 5.192 4.480 0.021 0.000 0.298 278 M C -2.386 173.945 176.300 0.052 0.000 1.065 278 M CA -1.407 53.984 55.300 0.151 0.000 0.916 278 M CB 2.203 34.939 32.600 0.226 0.000 1.630 278 M HN 0.267 nan 8.290 nan 0.000 0.442 279 L N 5.014 126.301 121.223 0.107 0.000 2.438 279 L HA 0.600 4.952 4.340 0.021 0.000 0.270 279 L C -1.588 175.481 176.870 0.332 0.000 0.972 279 L CA -0.018 54.862 54.840 0.065 0.000 0.831 279 L CB 1.782 43.716 42.059 -0.208 0.000 1.273 279 L HN 0.664 nan 8.230 nan 0.000 0.405 280 D N 4.961 125.499 120.400 0.230 0.000 2.481 280 D HA 0.379 5.032 4.640 0.021 0.000 0.246 280 D C -0.449 175.981 176.300 0.216 0.000 1.109 280 D CA -0.104 54.052 54.000 0.259 0.000 0.845 280 D CB 1.233 42.068 40.800 0.059 0.000 1.160 280 D HN 0.644 nan 8.370 nan 0.000 0.534 281 L N 2.783 124.151 121.223 0.241 0.000 3.202 281 L HA 0.156 4.508 4.340 0.021 0.000 0.278 281 L C 0.845 177.813 176.870 0.163 0.000 1.268 281 L CA -0.415 54.555 54.840 0.217 0.000 1.034 281 L CB 0.321 42.542 42.059 0.271 0.000 1.407 281 L HN 0.265 nan 8.230 nan 0.000 0.581 282 S N -1.650 114.158 115.700 0.179 0.000 2.593 282 S HA 0.181 4.664 4.470 0.021 0.000 0.269 282 S C 0.403 175.164 174.600 0.269 0.000 1.334 282 S CA -0.157 58.148 58.200 0.175 0.000 1.015 282 S CB 0.241 63.589 63.200 0.248 0.000 0.912 282 S HN 0.355 nan 8.310 nan 0.000 0.541 283 Y N -0.370 119.993 120.300 0.106 0.000 3.491 283 Y HA -0.187 4.376 4.550 0.020 0.000 0.215 283 Y C 0.929 176.875 175.900 0.077 0.000 1.219 283 Y CA 0.605 58.756 58.100 0.084 0.000 1.485 283 Y CB -2.531 35.947 38.460 0.029 0.000 1.450 283 Y HN 0.746 nan 8.280 nan 0.000 0.603 284 N N 0.377 119.179 118.700 0.170 0.000 2.236 284 N HA 0.051 4.803 4.740 0.021 0.000 0.196 284 N C 0.165 175.742 175.510 0.112 0.000 1.114 284 N CA 0.665 53.802 53.050 0.145 0.000 0.859 284 N CB 0.054 38.631 38.487 0.149 0.000 0.982 284 N HN 0.608 nan 8.380 nan 0.000 0.493 285 N N 0.481 119.236 118.700 0.093 0.000 2.725 285 N HA -0.208 4.545 4.740 0.021 0.000 0.249 285 N C -0.707 174.841 175.510 0.063 0.000 1.103 285 N CA 0.057 53.151 53.050 0.072 0.000 0.707 285 N CB -1.061 37.474 38.487 0.079 0.000 1.043 285 N HN 0.159 nan 8.380 nan 0.000 0.553 286 L N 0.892 122.149 121.223 0.058 0.000 2.530 286 L HA 0.116 4.468 4.340 0.021 0.000 0.273 286 L C 0.862 177.757 176.870 0.041 0.000 1.141 286 L CA 0.649 55.526 54.840 0.063 0.000 0.905 286 L CB 0.340 42.444 42.059 0.074 0.000 1.202 286 L HN 0.130 nan 8.230 nan 0.000 0.473 287 N N 2.595 121.329 118.700 0.057 0.000 2.333 287 N HA 0.096 4.849 4.740 0.021 0.000 0.183 287 N C -0.553 174.994 175.510 0.062 0.000 1.030 287 N CA 0.401 53.485 53.050 0.057 0.000 0.867 287 N CB 0.287 38.813 38.487 0.065 0.000 1.027 287 N HN 0.394 nan 8.380 nan 0.000 0.435 288 V N 1.478 121.440 119.914 0.081 0.000 2.448 288 V HA 0.378 4.510 4.120 0.021 0.000 0.295 288 V C -0.652 175.509 176.094 0.112 0.000 1.025 288 V CA -0.766 61.596 62.300 0.103 0.000 0.859 288 V CB 2.083 33.993 31.823 0.145 0.000 0.988 288 V HN -0.136 nan 8.190 nan 0.000 0.431 289 V N 4.517 124.492 119.914 0.102 0.000 2.275 289 V HA 0.511 4.644 4.120 0.021 0.000 0.272 289 V C 0.968 177.180 176.094 0.197 0.000 1.028 289 V CA -0.403 61.973 62.300 0.127 0.000 0.810 289 V CB 1.131 33.038 31.823 0.139 0.000 1.043 289 V HN 0.971 nan 8.190 nan 0.000 0.453 290 G N 3.500 112.396 108.800 0.160 0.000 2.614 290 G HA2 0.066 4.038 3.960 0.021 0.000 0.239 290 G HA3 0.066 4.038 3.960 0.021 0.000 0.239 290 G C 0.137 175.100 174.900 0.105 0.000 1.240 290 G CA -0.398 44.796 45.100 0.157 0.000 0.842 290 G HN 0.624 nan 8.290 nan 0.000 0.584 291 N N 1.158 119.901 118.700 0.071 0.000 2.458 291 N HA 0.058 4.810 4.740 0.021 0.000 0.258 291 N C 0.222 175.694 175.510 -0.064 0.000 1.219 291 N CA 0.312 53.378 53.050 0.027 0.000 0.902 291 N CB 0.621 39.071 38.487 -0.063 0.000 1.076 291 N HN 0.580 nan 8.380 nan 0.000 0.455 292 D N 0.033 120.372 120.400 -0.100 0.000 2.981 292 D HA -0.156 4.496 4.640 0.021 0.000 0.223 292 D C 0.392 176.532 176.300 -0.267 0.000 1.151 292 D CA 0.633 54.500 54.000 -0.222 0.000 0.827 292 D CB -1.077 39.550 40.800 -0.288 0.000 1.101 292 D HN 0.414 nan 8.370 nan 0.000 0.426 293 S N -1.213 114.304 115.700 -0.305 0.000 2.399 293 S HA -0.112 4.370 4.470 0.021 0.000 0.231 293 S C 1.109 175.356 174.600 -0.589 0.000 1.022 293 S CA 0.827 58.735 58.200 -0.487 0.000 0.983 293 S CB -0.039 62.646 63.200 -0.858 0.000 0.803 293 S HN 0.350 nan 8.310 nan 0.000 0.480 294 F N -0.182 119.754 119.950 -0.024 0.000 2.805 294 F HA 0.537 5.077 4.527 0.021 0.000 0.317 294 F C 1.381 176.986 175.800 -0.326 0.000 1.146 294 F CA -0.816 57.100 58.000 -0.139 0.000 1.265 294 F CB -0.490 38.398 39.000 -0.187 0.000 0.992 294 F HN 0.041 nan 8.300 nan 0.000 0.511 295 A N -0.635 121.880 122.820 -0.508 0.000 2.172 295 A HA -0.096 4.236 4.320 0.021 0.000 0.216 295 A C 1.121 178.301 177.584 -0.674 0.000 1.154 295 A CA 0.780 52.403 52.037 -0.690 0.000 0.701 295 A CB -0.907 17.491 19.000 -1.002 0.000 0.789 295 A HN 0.674 nan 8.150 nan 0.000 0.465 296 W N -1.010 120.269 121.300 -0.035 0.000 3.316 296 W HA 0.446 5.119 4.660 0.021 0.000 0.327 296 W C -0.016 176.438 176.519 -0.107 0.000 1.232 296 W CA -0.429 56.873 57.345 -0.072 0.000 1.805 296 W CB -0.022 29.415 29.460 -0.039 0.000 1.090 296 W HN -0.006 nan 8.180 nan 0.000 0.654 297 L N 3.326 124.521 121.223 -0.047 0.000 2.709 297 L HA 0.257 4.609 4.340 0.021 0.000 0.236 297 L C -1.288 175.390 176.870 -0.319 0.000 1.266 297 L CA -1.274 53.471 54.840 -0.159 0.000 0.987 297 L CB 0.662 42.588 42.059 -0.220 0.000 1.306 297 L HN -0.237 nan 8.230 nan 0.000 0.467 298 P HA -0.101 nan 4.420 nan 0.000 0.233 298 P C 0.701 177.726 177.300 -0.459 0.000 1.167 298 P CA 0.854 63.586 63.100 -0.612 0.000 0.770 298 P CB 0.531 32.026 31.700 -0.342 0.000 0.837 299 Q N -0.782 118.860 119.800 -0.263 0.000 2.319 299 Q HA 0.151 4.503 4.340 0.021 0.000 0.209 299 Q C 0.734 176.607 176.000 -0.211 0.000 0.884 299 Q CA -0.492 55.202 55.803 -0.181 0.000 0.938 299 Q CB -0.194 28.488 28.738 -0.095 0.000 1.098 299 Q HN 0.254 nan 8.270 nan 0.000 0.517 300 L N 2.100 123.159 121.223 -0.272 0.000 2.559 300 L HA -0.091 4.261 4.340 0.021 0.000 0.274 300 L C 1.067 177.749 176.870 -0.313 0.000 1.205 300 L CA 1.035 55.697 54.840 -0.296 0.000 0.907 300 L CB 0.452 42.270 42.059 -0.401 0.000 1.153 300 L HN 0.086 nan 8.230 nan 0.000 0.490 301 E N 3.153 123.129 120.200 -0.373 0.000 2.332 301 E HA 0.075 4.438 4.350 0.021 0.000 0.202 301 E C -0.896 175.274 176.600 -0.716 0.000 0.877 301 E CA 0.246 56.274 56.400 -0.621 0.000 0.979 301 E CB 0.435 29.578 29.700 -0.929 0.000 0.969 301 E HN 0.511 nan 8.360 nan 0.000 0.495 302 Y N 0.039 120.330 120.300 -0.016 0.000 2.326 302 Y HA 0.407 4.970 4.550 0.021 0.000 0.331 302 Y C -0.792 175.131 175.900 0.039 0.000 0.962 302 Y CA -1.114 56.986 58.100 0.001 0.000 1.167 302 Y CB 0.950 39.408 38.460 -0.003 0.000 1.148 302 Y HN -0.093 nan 8.280 nan 0.000 0.463 303 F N 4.858 124.724 119.950 -0.139 0.000 2.460 303 F HA 0.573 5.113 4.527 0.021 0.000 0.341 303 F C -1.750 173.894 175.800 -0.260 0.000 1.130 303 F CA -2.717 55.180 58.000 -0.171 0.000 0.962 303 F CB 0.577 39.438 39.000 -0.233 0.000 1.171 303 F HN 0.290 nan 8.300 nan 0.000 0.436 304 F N 7.128 127.193 119.950 0.192 0.000 2.361 304 F HA 0.423 4.962 4.527 0.020 0.000 0.364 304 F C 0.425 176.107 175.800 -0.197 0.000 1.117 304 F CA -0.350 57.666 58.000 0.027 0.000 1.071 304 F CB 1.230 40.315 39.000 0.142 0.000 1.188 304 F HN 0.353 nan 8.300 nan 0.000 0.464 305 L N 2.592 123.691 121.223 -0.206 0.000 3.069 305 L HA 0.143 4.496 4.340 0.021 0.000 0.271 305 L C 0.752 177.515 176.870 -0.178 0.000 1.201 305 L CA -0.173 54.493 54.840 -0.291 0.000 1.015 305 L CB 0.003 41.726 42.059 -0.561 0.000 1.371 305 L HN 0.525 nan 8.230 nan 0.000 0.574 306 E N 0.375 120.539 120.200 -0.059 0.000 2.437 306 E HA -0.167 4.195 4.350 0.021 0.000 0.263 306 E C -0.728 175.813 176.600 -0.098 0.000 1.030 306 E CA -0.078 56.282 56.400 -0.067 0.000 0.934 306 E CB 0.257 30.020 29.700 0.105 0.000 0.943 306 E HN 0.198 nan 8.360 nan 0.000 0.444 307 Y N 0.301 120.390 120.300 -0.351 0.000 2.994 307 Y HA -0.235 4.328 4.550 0.020 0.000 0.168 307 Y C 0.060 175.768 175.900 -0.320 0.000 1.648 307 Y CA 0.927 58.760 58.100 -0.446 0.000 0.924 307 Y CB -1.608 36.276 38.460 -0.959 0.000 1.415 307 Y HN 0.568 nan 8.280 nan 0.000 0.391 308 N N 0.433 119.048 118.700 -0.142 0.000 3.379 308 N HA 0.377 5.130 4.740 0.021 0.000 0.350 308 N C -0.252 175.211 175.510 -0.077 0.000 1.553 308 N CA -0.776 52.219 53.050 -0.091 0.000 0.712 308 N CB 1.081 39.497 38.487 -0.118 0.000 1.880 308 N HN 0.403 nan 8.380 nan 0.000 0.648 309 N N 0.798 119.468 118.700 -0.050 0.000 2.628 309 N HA 0.249 5.002 4.740 0.021 0.000 0.299 309 N C -1.116 174.397 175.510 0.005 0.000 1.834 309 N CA -0.035 53.009 53.050 -0.010 0.000 0.871 309 N CB 0.573 39.074 38.487 0.025 0.000 1.377 309 N HN 0.435 nan 8.380 nan 0.000 0.493 310 I N 1.819 122.362 120.570 -0.044 0.000 2.581 310 I HA -0.043 4.139 4.170 0.021 0.000 0.285 310 I C 1.740 177.949 176.117 0.153 0.000 1.129 310 I CA 0.279 61.586 61.300 0.011 0.000 1.397 310 I CB 1.031 38.958 38.000 -0.121 0.000 1.399 310 I HN 0.159 nan 8.210 nan 0.000 0.537 311 Q N 4.519 124.386 119.800 0.111 0.000 2.163 311 Q HA 0.030 4.383 4.340 0.021 0.000 0.198 311 Q C 0.373 176.453 176.000 0.133 0.000 0.954 311 Q CA 0.991 56.865 55.803 0.119 0.000 0.851 311 Q CB 0.359 29.159 28.738 0.103 0.000 0.928 311 Q HN 0.656 nan 8.270 nan 0.000 0.459 312 H N -0.698 118.326 119.070 -0.076 0.000 3.083 312 H HA 0.325 4.893 4.556 0.021 0.000 0.339 312 H C -1.914 173.090 175.328 -0.540 0.000 1.020 312 H CA -0.770 55.150 56.048 -0.213 0.000 1.360 312 H CB 1.346 31.035 29.762 -0.123 0.000 1.811 312 H HN -0.013 nan 8.280 nan 0.000 0.493 313 L N 6.043 127.196 121.223 -0.116 0.000 2.265 313 L HA 0.361 4.714 4.340 0.021 0.000 0.289 313 L C -1.320 175.386 176.870 -0.273 0.000 1.033 313 L CA -0.132 54.553 54.840 -0.260 0.000 0.814 313 L CB -0.046 42.031 42.059 0.031 0.000 1.203 313 L HN 0.389 nan 8.230 nan 0.000 0.423 314 F N 1.541 121.487 119.950 -0.006 0.000 2.370 314 F HA 0.291 4.830 4.527 0.021 0.000 0.319 314 F C 1.768 177.631 175.800 0.105 0.000 1.129 314 F CA -0.224 57.764 58.000 -0.020 0.000 1.109 314 F CB 0.476 39.434 39.000 -0.070 0.000 1.262 314 F HN 0.603 nan 8.300 nan 0.000 0.534 315 S N -1.231 114.700 115.700 0.385 0.000 2.507 315 S HA -0.157 4.325 4.470 0.021 0.000 0.235 315 S C 0.868 175.787 174.600 0.532 0.000 0.988 315 S CA 1.227 59.662 58.200 0.392 0.000 0.944 315 S CB -0.778 62.650 63.200 0.379 0.000 0.762 315 S HN 0.744 nan 8.310 nan 0.000 0.526 316 H N -0.053 119.224 119.070 0.345 0.000 2.784 316 H HA 0.482 5.050 4.556 0.021 0.000 0.273 316 H C 1.688 177.088 175.328 0.119 0.000 1.112 316 H CA 0.105 56.272 56.048 0.199 0.000 1.162 316 H CB 0.425 30.189 29.762 0.004 0.000 1.586 316 H HN 0.285 nan 8.280 nan 0.000 0.548 317 S N 0.156 116.035 115.700 0.298 0.000 2.382 317 S HA -0.051 4.431 4.470 0.021 0.000 0.228 317 S C 1.429 176.180 174.600 0.252 0.000 1.027 317 S CA 0.961 59.306 58.200 0.241 0.000 0.991 317 S CB 0.044 63.367 63.200 0.206 0.000 0.823 317 S HN 0.397 nan 8.310 nan 0.000 0.469 318 L N 0.903 122.281 121.223 0.258 0.000 2.741 318 L HA 0.227 4.580 4.340 0.021 0.000 0.237 318 L C 0.666 177.575 176.870 0.064 0.000 1.178 318 L CA -0.284 54.735 54.840 0.298 0.000 0.973 318 L CB -0.271 41.978 42.059 0.318 0.000 1.255 318 L HN 0.346 nan 8.230 nan 0.000 0.498 319 H N 1.292 120.114 119.070 -0.413 0.000 2.928 319 H HA 0.072 4.640 4.556 0.021 0.000 0.338 319 H C 1.112 176.165 175.328 -0.459 0.000 1.047 319 H CA 1.659 57.136 56.048 -0.952 0.000 1.435 319 H CB 1.137 30.268 29.762 -1.052 0.000 1.428 319 H HN 0.393 nan 8.280 nan 0.000 0.590 320 G N 4.256 112.619 108.800 -0.728 0.000 2.195 320 G HA2 -0.241 3.731 3.960 0.021 0.000 0.246 320 G HA3 -0.241 3.731 3.960 0.021 0.000 0.246 320 G C 0.719 175.388 174.900 -0.386 0.000 0.984 320 G CA 0.223 45.085 45.100 -0.397 0.000 0.633 320 G HN 0.608 nan 8.290 nan 0.000 0.525 321 L N 2.321 123.414 121.223 -0.216 0.000 2.955 321 L HA 0.339 4.692 4.340 0.021 0.000 0.238 321 L C 1.880 178.677 176.870 -0.123 0.000 1.359 321 L CA -0.368 54.339 54.840 -0.222 0.000 1.214 321 L CB -0.776 41.239 42.059 -0.072 0.000 1.600 321 L HN 0.393 nan 8.230 nan 0.000 0.442 322 F N -2.490 117.439 119.950 -0.034 0.000 2.771 322 F HA 0.067 4.607 4.527 0.021 0.000 0.299 322 F C 1.577 177.362 175.800 -0.025 0.000 1.177 322 F CA 0.299 58.295 58.000 -0.006 0.000 1.450 322 F CB -0.530 38.464 39.000 -0.010 0.000 1.114 322 F HN 0.162 nan 8.300 nan 0.000 0.587 323 N N 0.287 118.920 118.700 -0.111 0.000 2.184 323 N HA 0.104 4.856 4.740 0.021 0.000 0.206 323 N C -0.169 175.268 175.510 -0.122 0.000 1.151 323 N CA 0.135 53.141 53.050 -0.074 0.000 0.878 323 N CB 0.795 39.201 38.487 -0.136 0.000 1.014 323 N HN 0.065 nan 8.380 nan 0.000 0.512 324 V N 2.933 122.773 119.914 -0.123 0.000 2.493 324 V HA -0.009 4.123 4.120 0.021 0.000 0.292 324 V C 1.462 177.516 176.094 -0.067 0.000 1.016 324 V CA 0.407 62.636 62.300 -0.118 0.000 1.097 324 V CB 0.849 32.641 31.823 -0.052 0.000 0.947 324 V HN 0.146 nan 8.190 nan 0.000 0.479 325 R N 3.473 123.907 120.500 -0.110 0.000 2.225 325 R HA 0.154 4.507 4.340 0.021 0.000 0.194 325 R C -0.022 176.332 176.300 0.090 0.000 0.957 325 R CA 0.404 56.489 56.100 -0.025 0.000 1.042 325 R CB 0.234 30.495 30.300 -0.064 0.000 1.004 325 R HN 0.682 nan 8.270 nan 0.000 0.509 326 Y N 0.473 120.734 120.300 -0.065 0.000 2.406 326 Y HA 0.537 5.099 4.550 0.020 0.000 0.340 326 Y C -1.612 174.239 175.900 -0.082 0.000 0.975 326 Y CA -1.585 56.489 58.100 -0.042 0.000 1.056 326 Y CB 1.573 40.010 38.460 -0.038 0.000 1.210 326 Y HN -0.128 nan 8.280 nan 0.000 0.448 327 L N 6.967 127.828 121.223 -0.604 0.000 2.439 327 L HA 0.514 4.866 4.340 0.021 0.000 0.270 327 L C -1.952 174.529 176.870 -0.648 0.000 0.972 327 L CA -0.451 54.103 54.840 -0.477 0.000 0.836 327 L CB 1.629 43.594 42.059 -0.157 0.000 1.255 327 L HN 0.766 nan 8.230 nan 0.000 0.404 328 N N 5.395 123.748 118.700 -0.578 0.000 2.444 328 N HA 0.405 5.158 4.740 0.021 0.000 0.262 328 N C -0.608 174.775 175.510 -0.213 0.000 0.974 328 N CA -0.216 52.633 53.050 -0.336 0.000 0.933 328 N CB 1.144 39.572 38.487 -0.098 0.000 1.137 328 N HN 0.795 nan 8.380 nan 0.000 0.498 329 L N 2.499 123.632 121.223 -0.150 0.000 3.202 329 L HA 0.272 4.625 4.340 0.021 0.000 0.278 329 L C 0.730 177.519 176.870 -0.135 0.000 1.268 329 L CA -0.263 54.488 54.840 -0.149 0.000 1.034 329 L CB 0.194 42.243 42.059 -0.017 0.000 1.407 329 L HN 0.344 nan 8.230 nan 0.000 0.581 330 K N 1.977 122.297 120.400 -0.134 0.000 2.412 330 K HA 0.073 4.405 4.320 0.021 0.000 0.284 330 K C 0.260 176.627 176.600 -0.387 0.000 1.046 330 K CA -0.139 56.036 56.287 -0.187 0.000 0.999 330 K CB 0.279 32.705 32.500 -0.123 0.000 0.941 330 K HN 0.155 nan 8.250 nan 0.000 0.474 331 R N 1.990 122.277 120.500 -0.355 0.000 3.758 331 R HA -0.171 4.181 4.340 0.021 0.000 0.299 331 R C 0.284 176.377 176.300 -0.345 0.000 1.182 331 R CA 0.875 56.729 56.100 -0.411 0.000 0.809 331 R CB -2.422 27.400 30.300 -0.796 0.000 1.249 331 R HN 0.698 nan 8.270 nan 0.000 0.497 332 S N -0.498 114.992 115.700 -0.349 0.000 2.436 332 S HA 0.080 4.563 4.470 0.021 0.000 0.228 332 S C 0.613 174.876 174.600 -0.562 0.000 1.014 332 S CA 0.730 58.627 58.200 -0.504 0.000 0.950 332 S CB 0.064 62.827 63.200 -0.728 0.000 0.784 332 S HN 0.265 nan 8.310 nan 0.000 0.504 333 F N 1.295 121.191 119.950 -0.090 0.000 2.378 333 F HA 0.383 4.922 4.527 0.020 0.000 0.325 333 F C 1.060 176.827 175.800 -0.054 0.000 1.097 333 F CA -0.944 57.018 58.000 -0.064 0.000 1.079 333 F CB 0.221 39.184 39.000 -0.062 0.000 1.240 333 F HN -0.251 nan 8.300 nan 0.000 0.519 334 T N 2.342 116.995 114.554 0.166 0.000 2.932 334 T HA 0.105 4.468 4.350 0.021 0.000 0.312 334 T C 0.237 174.978 174.700 0.068 0.000 1.071 334 T CA -0.621 61.531 62.100 0.086 0.000 1.128 334 T CB 0.094 69.007 68.868 0.076 0.000 0.984 334 T HN 0.321 nan 8.240 nan 0.000 0.549 335 K N 2.976 123.402 120.400 0.044 0.000 2.120 335 K HA 0.160 4.493 4.320 0.021 0.000 0.245 335 K C 0.344 176.960 176.600 0.027 0.000 1.024 335 K CA -0.439 55.867 56.287 0.031 0.000 0.906 335 K CB 0.403 32.920 32.500 0.028 0.000 1.051 335 K HN 0.675 nan 8.250 nan 0.000 0.491 336 Q N 0.537 120.349 119.800 0.021 0.000 2.304 336 Q HA 0.006 4.359 4.340 0.021 0.000 0.260 336 Q C 0.570 176.582 176.000 0.019 0.000 0.965 336 Q CA 0.141 55.954 55.803 0.017 0.000 0.898 336 Q CB 0.888 29.635 28.738 0.014 0.000 1.196 336 Q HN 0.587 nan 8.270 nan 0.000 0.402 337 S N 4.323 120.034 115.700 0.018 0.000 2.558 337 S HA 0.019 4.502 4.470 0.021 0.000 0.217 337 S C 1.246 175.856 174.600 0.016 0.000 0.975 337 S CA 0.343 58.555 58.200 0.019 0.000 0.912 337 S CB -0.104 63.108 63.200 0.019 0.000 0.776 337 S HN 0.791 nan 8.310 nan 0.000 0.526 338 I N 0.323 120.901 120.570 0.014 0.000 4.381 338 I HA -0.369 3.813 4.170 0.021 0.000 0.070 338 I C 1.864 177.988 176.117 0.010 0.000 0.586 338 I CA 2.077 63.385 61.300 0.012 0.000 1.055 338 I CB -2.536 35.472 38.000 0.013 0.000 0.943 338 I HN 0.556 nan 8.210 nan 0.000 0.171 339 S N 1.048 116.755 115.700 0.012 0.000 2.433 339 S HA 0.213 4.696 4.470 0.021 0.000 0.216 339 S C 1.788 176.394 174.600 0.010 0.000 1.031 339 S CA 0.752 58.959 58.200 0.011 0.000 0.931 339 S CB -0.626 62.581 63.200 0.012 0.000 0.875 339 S HN 0.478 nan 8.310 nan 0.000 0.553 340 L N 1.877 123.108 121.223 0.013 0.000 2.450 340 L HA 0.146 4.498 4.340 0.021 0.000 0.224 340 L C 1.598 178.475 176.870 0.011 0.000 1.149 340 L CA 0.507 55.355 54.840 0.013 0.000 0.816 340 L CB -1.026 41.044 42.059 0.017 0.000 0.932 340 L HN 0.619 nan 8.230 nan 0.000 0.449 341 A N -0.406 122.419 122.820 0.008 0.000 2.791 341 A HA -0.201 4.131 4.320 0.021 0.000 0.292 341 A C 0.903 178.488 177.584 0.002 0.000 1.487 341 A CA 0.712 52.751 52.037 0.003 0.000 0.760 341 A CB -2.141 16.859 19.000 -0.001 0.000 1.031 341 A HN 0.311 nan 8.150 nan 0.000 0.503 342 S N 0.190 115.895 115.700 0.009 0.000 4.069 342 S HA 0.430 4.912 4.470 0.021 0.000 0.192 342 S C 0.407 175.012 174.600 0.008 0.000 1.441 342 S CA -0.121 58.087 58.200 0.012 0.000 0.994 342 S CB -0.416 62.798 63.200 0.023 0.000 1.456 342 S HN 0.520 nan 8.310 nan 0.000 0.458 343 L N 3.627 124.846 121.223 -0.007 0.000 2.371 343 L HA 0.361 4.713 4.340 0.021 0.000 0.272 343 L C -1.704 175.146 176.870 -0.034 0.000 1.124 343 L CA -2.030 52.800 54.840 -0.017 0.000 0.816 343 L CB 0.547 42.590 42.059 -0.027 0.000 1.129 343 L HN 0.183 nan 8.230 nan 0.000 0.448 344 P HA 0.132 nan 4.420 nan 0.000 0.275 344 P C -1.315 175.897 177.300 -0.147 0.000 1.228 344 P CA -0.429 62.636 63.100 -0.058 0.000 0.786 344 P CB 1.195 32.875 31.700 -0.034 0.000 0.927 345 K N 2.341 122.632 120.400 -0.180 0.000 2.324 345 K HA 0.575 4.907 4.320 0.021 0.000 0.253 345 K C -0.972 175.521 176.600 -0.180 0.000 0.932 345 K CA -0.745 55.393 56.287 -0.249 0.000 0.799 345 K CB 1.088 33.318 32.500 -0.450 0.000 1.154 345 K HN 0.412 nan 8.250 nan 0.000 0.425 346 I N 3.569 124.034 120.570 -0.175 0.000 2.411 346 I HA 0.175 4.357 4.170 0.021 0.000 0.284 346 I C -0.599 175.483 176.117 -0.059 0.000 1.012 346 I CA -0.967 60.253 61.300 -0.133 0.000 1.119 346 I CB 1.689 39.540 38.000 -0.248 0.000 1.261 346 I HN 0.566 nan 8.210 nan 0.000 0.448 347 D N 5.099 125.532 120.400 0.055 0.000 2.382 347 D HA 0.060 4.712 4.640 0.021 0.000 0.240 347 D C -0.085 176.221 176.300 0.011 0.000 1.146 347 D CA 0.178 54.236 54.000 0.097 0.000 0.897 347 D CB 0.820 41.750 40.800 0.217 0.000 1.197 347 D HN 0.351 nan 8.370 nan 0.000 0.432 348 D N 0.010 120.416 120.400 0.010 0.000 2.399 348 D HA 0.025 4.677 4.640 0.021 0.000 0.241 348 D C 0.656 176.985 176.300 0.048 0.000 1.133 348 D CA 0.136 54.065 54.000 -0.118 0.000 0.890 348 D CB 0.362 41.051 40.800 -0.186 0.000 1.201 348 D HN 0.321 nan 8.370 nan 0.000 0.432 349 F N -0.269 119.637 119.950 -0.074 0.000 2.914 349 F HA -0.296 4.244 4.527 0.021 0.000 0.304 349 F C 1.975 177.674 175.800 -0.167 0.000 0.712 349 F CA 0.477 58.403 58.000 -0.123 0.000 1.211 349 F CB -2.151 36.762 39.000 -0.145 0.000 1.515 349 F HN 0.222 nan 8.300 nan 0.000 0.350 350 S N -0.987 114.698 115.700 -0.025 0.000 2.469 350 S HA -0.058 4.424 4.470 0.021 0.000 0.238 350 S C 1.190 175.616 174.600 -0.290 0.000 0.998 350 S CA 1.188 59.295 58.200 -0.154 0.000 0.957 350 S CB -0.275 62.722 63.200 -0.337 0.000 0.764 350 S HN 0.431 nan 8.310 nan 0.000 0.514 351 F N 1.114 121.090 119.950 0.043 0.000 2.661 351 F HA 0.205 4.744 4.527 0.021 0.000 0.306 351 F C 1.945 177.728 175.800 -0.029 0.000 1.094 351 F CA -0.722 57.324 58.000 0.076 0.000 1.254 351 F CB -0.305 38.768 39.000 0.121 0.000 1.040 351 F HN 0.211 nan 8.300 nan 0.000 0.562 352 Q N -0.487 119.231 119.800 -0.135 0.000 2.291 352 Q HA -0.199 4.153 4.340 0.021 0.000 0.206 352 Q C 1.019 176.834 176.000 -0.307 0.000 0.976 352 Q CA 1.983 57.606 55.803 -0.300 0.000 0.875 352 Q CB -0.644 27.797 28.738 -0.495 0.000 0.927 352 Q HN 0.601 nan 8.270 nan 0.000 0.450 353 W N 0.501 121.861 121.300 0.101 0.000 2.658 353 W HA 0.192 4.864 4.660 0.021 0.000 0.263 353 W C 0.063 176.643 176.519 0.102 0.000 1.274 353 W CA -0.746 56.633 57.345 0.057 0.000 1.343 353 W CB 0.181 29.636 29.460 -0.009 0.000 1.106 353 W HN -0.009 nan 8.180 nan 0.000 0.615 354 L N 2.634 124.043 121.223 0.311 0.000 2.391 354 L HA 0.122 4.474 4.340 0.021 0.000 0.249 354 L C 1.421 178.389 176.870 0.164 0.000 1.308 354 L CA 0.298 55.279 54.840 0.236 0.000 1.209 354 L CB -0.337 41.873 42.059 0.252 0.000 1.401 354 L HN -0.130 nan 8.230 nan 0.000 0.416 355 K N -0.243 120.254 120.400 0.161 0.000 2.362 355 K HA 0.012 4.344 4.320 0.021 0.000 0.200 355 K C 1.252 177.899 176.600 0.079 0.000 1.046 355 K CA 0.686 57.037 56.287 0.106 0.000 0.952 355 K CB -0.185 32.372 32.500 0.095 0.000 0.753 355 K HN 0.524 nan 8.250 nan 0.000 0.466 356 C N 0.484 119.834 119.300 0.084 0.000 3.038 356 C HA 0.262 4.734 4.460 0.021 0.000 0.279 356 C C 0.685 175.695 174.990 0.032 0.000 1.276 356 C CA -0.970 58.077 59.018 0.049 0.000 1.697 356 C CB -0.775 26.992 27.740 0.045 0.000 2.032 356 C HN 0.238 nan 8.230 nan 0.000 0.636 357 L N 2.273 123.523 121.223 0.044 0.000 2.562 357 L HA 0.060 4.412 4.340 0.021 0.000 0.271 357 L C 0.972 177.855 176.870 0.023 0.000 1.167 357 L CA 1.304 56.165 54.840 0.035 0.000 0.917 357 L CB 0.076 42.162 42.059 0.044 0.000 1.187 357 L HN 0.321 nan 8.230 nan 0.000 0.482 358 E N 2.377 122.605 120.200 0.047 0.000 2.290 358 E HA 0.054 4.416 4.350 0.021 0.000 0.199 358 E C -0.338 176.332 176.600 0.117 0.000 0.912 358 E CA 0.136 56.571 56.400 0.057 0.000 0.924 358 E CB 0.421 30.166 29.700 0.074 0.000 0.901 358 E HN 0.689 nan 8.360 nan 0.000 0.487 359 H N 0.233 119.322 119.070 0.032 0.000 2.646 359 H HA 0.402 4.971 4.556 0.021 0.000 0.328 359 H C -1.737 173.551 175.328 -0.067 0.000 0.998 359 H CA -0.862 55.219 56.048 0.054 0.000 1.225 359 H CB 1.013 30.825 29.762 0.084 0.000 1.457 359 H HN -0.080 nan 8.280 nan 0.000 0.505 360 L N 5.230 126.464 121.223 0.018 0.000 2.376 360 L HA 0.419 4.771 4.340 0.021 0.000 0.275 360 L C -1.418 175.436 176.870 -0.026 0.000 0.987 360 L CA -0.609 54.184 54.840 -0.078 0.000 0.828 360 L CB 1.414 43.369 42.059 -0.174 0.000 1.249 360 L HN 0.681 nan 8.230 nan 0.000 0.409 361 N N 5.579 124.258 118.700 -0.034 0.000 2.446 361 N HA 0.417 5.170 4.740 0.021 0.000 0.265 361 N C -0.565 174.936 175.510 -0.015 0.000 0.975 361 N CA -0.177 52.888 53.050 0.026 0.000 0.928 361 N CB 1.155 39.682 38.487 0.066 0.000 1.160 361 N HN 0.761 nan 8.380 nan 0.000 0.495 362 M N 1.430 121.026 119.600 -0.007 0.000 2.596 362 M HA 0.199 4.691 4.480 0.021 0.000 0.364 362 M C -0.177 176.100 176.300 -0.040 0.000 1.158 362 M CA -0.332 54.974 55.300 0.011 0.000 0.940 362 M CB 0.533 33.160 32.600 0.044 0.000 1.388 362 M HN 0.362 nan 8.290 nan 0.000 0.522 363 E N 1.870 122.046 120.200 -0.040 0.000 2.436 363 E HA -0.055 4.308 4.350 0.021 0.000 0.262 363 E C -0.332 176.214 176.600 -0.090 0.000 1.063 363 E CA 0.408 56.773 56.400 -0.058 0.000 0.944 363 E CB 0.298 29.987 29.700 -0.019 0.000 0.950 363 E HN 0.214 nan 8.360 nan 0.000 0.444 364 D N 2.256 122.601 120.400 -0.091 0.000 3.038 364 D HA -0.182 4.470 4.640 0.021 0.000 0.229 364 D C -0.691 175.552 176.300 -0.095 0.000 1.182 364 D CA 0.799 54.743 54.000 -0.093 0.000 0.852 364 D CB -0.839 39.902 40.800 -0.098 0.000 0.932 364 D HN 0.367 nan 8.370 nan 0.000 0.406 365 N N 0.412 119.054 118.700 -0.097 0.000 2.831 365 N HA 0.296 5.049 4.740 0.021 0.000 0.276 365 N C -0.503 174.960 175.510 -0.079 0.000 1.416 365 N CA -0.518 52.497 53.050 -0.058 0.000 0.799 365 N CB 1.295 39.775 38.487 -0.012 0.000 1.554 365 N HN -0.084 nan 8.380 nan 0.000 0.541 366 D N 0.851 121.222 120.400 -0.049 0.000 2.788 366 D HA 0.355 5.007 4.640 0.021 0.000 0.289 366 D C -0.025 176.252 176.300 -0.039 0.000 1.340 366 D CA -0.085 53.897 54.000 -0.030 0.000 0.831 366 D CB 0.413 41.211 40.800 -0.002 0.000 1.103 366 D HN 0.383 nan 8.370 nan 0.000 0.476 367 I N 1.255 121.770 120.570 -0.092 0.000 2.618 367 I HA 0.027 4.209 4.170 0.021 0.000 0.284 367 I C -1.099 175.099 176.117 0.135 0.000 1.146 367 I CA -1.297 59.969 61.300 -0.056 0.000 1.425 367 I CB 0.872 38.786 38.000 -0.142 0.000 1.383 367 I HN -0.201 nan 8.210 nan 0.000 0.562 368 P HA -0.045 nan 4.420 nan 0.000 0.216 368 P C 0.524 177.849 177.300 0.042 0.000 1.153 368 P CA 0.685 63.813 63.100 0.048 0.000 0.848 368 P CB 0.274 31.962 31.700 -0.021 0.000 0.787 369 G N -2.066 106.749 108.800 0.025 0.000 2.427 369 G HA2 0.475 4.447 3.960 0.021 0.000 0.306 369 G HA3 0.475 4.447 3.960 0.021 0.000 0.306 369 G C -1.846 172.950 174.900 -0.174 0.000 1.280 369 G CA -0.656 44.334 45.100 -0.183 0.000 0.837 369 G HN -0.086 nan 8.290 nan 0.000 0.482 370 I N 1.430 121.815 120.570 -0.309 0.000 2.359 370 I HA 0.308 4.490 4.170 0.021 0.000 0.284 370 I C 0.322 176.295 176.117 -0.240 0.000 1.018 370 I CA -0.557 60.596 61.300 -0.245 0.000 1.173 370 I CB 1.569 39.399 38.000 -0.284 0.000 1.326 370 I HN 0.228 nan 8.210 nan 0.000 0.462 371 K N 2.791 123.060 120.400 -0.218 0.000 2.180 371 K HA 0.125 4.457 4.320 0.021 0.000 0.251 371 K C 1.356 177.814 176.600 -0.236 0.000 1.014 371 K CA -0.078 56.083 56.287 -0.210 0.000 0.913 371 K CB 0.787 33.171 32.500 -0.193 0.000 1.008 371 K HN 0.692 nan 8.250 nan 0.000 0.490 372 S N 0.603 116.169 115.700 -0.223 0.000 2.440 372 S HA -0.123 4.359 4.470 0.021 0.000 0.238 372 S C 0.712 175.135 174.600 -0.294 0.000 1.010 372 S CA 1.008 59.065 58.200 -0.238 0.000 0.972 372 S CB -0.097 62.988 63.200 -0.192 0.000 0.774 372 S HN 0.541 nan 8.310 nan 0.000 0.501 373 N N -0.073 118.397 118.700 -0.382 0.000 2.451 373 N HA 0.306 5.058 4.740 0.021 0.000 0.271 373 N C 0.576 175.787 175.510 -0.500 0.000 1.410 373 N CA -0.057 52.657 53.050 -0.560 0.000 0.884 373 N CB 0.530 38.345 38.487 -1.120 0.000 1.332 373 N HN 0.423 nan 8.380 nan 0.000 0.498 374 M N -0.460 118.911 119.600 -0.382 0.000 2.086 374 M HA -0.036 4.457 4.480 0.021 0.000 0.261 374 M C 0.059 176.110 176.300 -0.414 0.000 1.067 374 M CA 1.948 56.972 55.300 -0.459 0.000 1.116 374 M CB 0.079 32.277 32.600 -0.670 0.000 1.348 374 M HN -0.013 nan 8.290 nan 0.000 0.407 375 F N -0.135 119.814 119.950 -0.001 0.000 2.647 375 F HA 0.246 4.785 4.527 0.021 0.000 0.300 375 F C 0.453 176.254 175.800 0.002 0.000 1.106 375 F CA -0.337 57.673 58.000 0.016 0.000 1.313 375 F CB -0.559 38.422 39.000 -0.032 0.000 1.007 375 F HN -0.156 nan 8.300 nan 0.000 0.536 376 T N 0.343 114.938 114.554 0.068 0.000 2.888 376 T HA 0.385 4.747 4.350 0.021 0.000 0.301 376 T C 1.254 176.016 174.700 0.103 0.000 1.001 376 T CA 1.105 63.240 62.100 0.058 0.000 1.147 376 T CB 0.685 69.525 68.868 -0.046 0.000 0.931 376 T HN 0.626 nan 8.240 nan 0.000 0.541 377 G N 2.562 111.422 108.800 0.099 0.000 2.213 377 G HA2 -0.199 3.774 3.960 0.021 0.000 0.226 377 G HA3 -0.199 3.774 3.960 0.021 0.000 0.226 377 G C 0.284 175.231 174.900 0.078 0.000 0.992 377 G CA -0.568 44.570 45.100 0.064 0.000 0.632 377 G HN 0.677 nan 8.290 nan 0.000 0.511 378 L N 2.691 123.975 121.223 0.102 0.000 2.391 378 L HA 0.352 4.705 4.340 0.021 0.000 0.249 378 L C 2.158 179.058 176.870 0.049 0.000 1.308 378 L CA -0.139 54.747 54.840 0.077 0.000 1.209 378 L CB -0.177 41.920 42.059 0.064 0.000 1.401 378 L HN 0.500 nan 8.230 nan 0.000 0.416 379 I N -2.688 117.911 120.570 0.048 0.000 3.334 379 I HA -0.044 4.138 4.170 0.021 0.000 0.282 379 I C 1.020 177.139 176.117 0.003 0.000 1.313 379 I CA 0.978 62.300 61.300 0.036 0.000 1.396 379 I CB -0.175 37.845 38.000 0.033 0.000 1.054 379 I HN 0.484 nan 8.210 nan 0.000 0.495 380 N N 0.876 119.573 118.700 -0.006 0.000 2.160 380 N HA 0.218 4.970 4.740 0.021 0.000 0.226 380 N C 0.007 175.485 175.510 -0.054 0.000 1.256 380 N CA -0.309 52.722 53.050 -0.031 0.000 0.890 380 N CB 1.061 39.542 38.487 -0.011 0.000 1.116 380 N HN 0.221 nan 8.380 nan 0.000 0.517 381 L N 1.985 123.174 121.223 -0.056 0.000 2.477 381 L HA 0.063 4.415 4.340 0.021 0.000 0.272 381 L C 1.100 177.894 176.870 -0.126 0.000 1.157 381 L CA 0.831 55.622 54.840 -0.082 0.000 0.889 381 L CB 0.495 42.488 42.059 -0.109 0.000 1.158 381 L HN -0.085 nan 8.230 nan 0.000 0.473 382 K N 3.993 124.326 120.400 -0.113 0.000 2.387 382 K HA 0.098 4.430 4.320 0.021 0.000 0.197 382 K C -0.743 175.831 176.600 -0.043 0.000 1.127 382 K CA 0.043 56.230 56.287 -0.166 0.000 0.950 382 K CB 0.579 32.958 32.500 -0.201 0.000 1.017 382 K HN 0.497 nan 8.250 nan 0.000 0.519 383 Y N 1.013 121.209 120.300 -0.173 0.000 2.376 383 Y HA 0.513 5.076 4.550 0.020 0.000 0.340 383 Y C -1.717 174.001 175.900 -0.303 0.000 0.965 383 Y CA -1.604 56.353 58.100 -0.238 0.000 1.078 383 Y CB 1.424 39.669 38.460 -0.358 0.000 1.193 383 Y HN -0.159 nan 8.280 nan 0.000 0.452 384 L N 5.307 126.142 121.223 -0.647 0.000 2.516 384 L HA 0.545 4.897 4.340 0.021 0.000 0.267 384 L C -1.544 174.965 176.870 -0.602 0.000 0.957 384 L CA -0.151 54.380 54.840 -0.515 0.000 0.860 384 L CB 2.073 43.861 42.059 -0.450 0.000 1.265 384 L HN 0.566 nan 8.230 nan 0.000 0.403 385 S N 5.381 120.838 115.700 -0.405 0.000 2.474 385 S HA 0.638 5.120 4.470 0.021 0.000 0.321 385 S C -0.102 174.437 174.600 -0.102 0.000 1.080 385 S CA -0.495 57.554 58.200 -0.251 0.000 1.106 385 S CB 0.515 63.658 63.200 -0.094 0.000 0.984 385 S HN 0.695 nan 8.310 nan 0.000 0.464 386 L N 3.964 125.158 121.223 -0.047 0.000 3.141 386 L HA 0.343 4.695 4.340 0.021 0.000 0.267 386 L C 0.687 177.572 176.870 0.025 0.000 1.281 386 L CA -0.295 54.558 54.840 0.022 0.000 1.037 386 L CB 0.693 42.897 42.059 0.242 0.000 1.407 386 L HN 0.580 nan 8.230 nan 0.000 0.566 387 S N 1.239 116.937 115.700 -0.005 0.000 2.465 387 S HA 0.056 4.538 4.470 0.021 0.000 0.280 387 S C 1.103 175.693 174.600 -0.017 0.000 1.232 387 S CA 0.086 58.291 58.200 0.009 0.000 1.066 387 S CB -0.103 63.098 63.200 0.002 0.000 0.929 387 S HN 0.644 nan 8.310 nan 0.000 0.494 388 N N 3.202 121.907 118.700 0.008 0.000 2.725 388 N HA -0.172 4.581 4.740 0.021 0.000 0.249 388 N C 0.540 175.989 175.510 -0.101 0.000 1.103 388 N CA 1.211 54.254 53.050 -0.011 0.000 0.707 388 N CB -1.558 36.924 38.487 -0.009 0.000 1.043 388 N HN 0.463 nan 8.380 nan 0.000 0.553 389 S N -1.279 114.275 115.700 -0.242 0.000 2.496 389 S HA 0.224 4.706 4.470 0.021 0.000 0.224 389 S C 0.225 174.360 174.600 -0.774 0.000 0.996 389 S CA 0.377 58.239 58.200 -0.564 0.000 0.927 389 S CB 0.088 62.774 63.200 -0.857 0.000 0.774 389 S HN 0.392 nan 8.310 nan 0.000 0.524 390 F N 0.717 120.676 119.950 0.015 0.000 2.556 390 F HA 0.346 4.886 4.527 0.020 0.000 0.327 390 F C 1.780 177.578 175.800 -0.004 0.000 1.059 390 F CA -1.035 56.963 58.000 -0.004 0.000 0.953 390 F CB 0.486 39.484 39.000 -0.003 0.000 1.227 390 F HN -0.108 nan 8.300 nan 0.000 0.478 391 T N -2.890 111.768 114.554 0.174 0.000 2.737 391 T HA 0.019 4.382 4.350 0.021 0.000 0.265 391 T C 0.552 175.308 174.700 0.094 0.000 1.038 391 T CA 1.003 63.157 62.100 0.091 0.000 1.144 391 T CB -0.158 68.745 68.868 0.057 0.000 0.866 391 T HN 0.408 nan 8.240 nan 0.000 0.434 392 S N -0.238 115.526 115.700 0.106 0.000 2.584 392 S HA 0.476 4.958 4.470 0.021 0.000 0.282 392 S C -1.849 172.763 174.600 0.020 0.000 1.138 392 S CA -0.865 57.374 58.200 0.065 0.000 0.987 392 S CB 1.192 64.409 63.200 0.029 0.000 1.137 392 S HN 0.403 nan 8.310 nan 0.000 0.457 393 L N 6.563 127.786 121.223 -0.001 0.000 2.599 393 L HA 0.567 4.919 4.340 0.021 0.000 0.241 393 L C 1.243 178.066 176.870 -0.078 0.000 1.207 393 L CA -0.059 54.702 54.840 -0.132 0.000 0.987 393 L CB -0.011 41.885 42.059 -0.271 0.000 1.318 393 L HN 0.750 nan 8.230 nan 0.000 0.458 394 R N -0.076 120.386 120.500 -0.063 0.000 2.091 394 R HA 0.004 4.357 4.340 0.021 0.000 0.238 394 R C -0.063 176.201 176.300 -0.061 0.000 1.136 394 R CA 1.418 57.490 56.100 -0.046 0.000 0.959 394 R CB -0.016 30.260 30.300 -0.040 0.000 0.856 394 R HN 0.480 nan 8.270 nan 0.000 0.437 395 T N 0.711 115.208 114.554 -0.095 0.000 2.848 395 T HA 0.415 4.778 4.350 0.021 0.000 0.285 395 T C -0.581 174.030 174.700 -0.149 0.000 0.995 395 T CA -0.625 61.412 62.100 -0.105 0.000 0.970 395 T CB 2.084 70.892 68.868 -0.100 0.000 0.976 395 T HN -0.014 nan 8.240 nan 0.000 0.441 396 L N 4.169 125.309 121.223 -0.139 0.000 2.264 396 L HA 0.441 4.794 4.340 0.021 0.000 0.287 396 L C 1.232 177.981 176.870 -0.201 0.000 1.039 396 L CA -0.751 53.975 54.840 -0.190 0.000 0.829 396 L CB 0.683 42.677 42.059 -0.108 0.000 1.211 396 L HN 0.785 nan 8.230 nan 0.000 0.427 397 T N -1.585 112.845 114.554 -0.206 0.000 2.880 397 T HA 0.149 4.511 4.350 0.021 0.000 0.279 397 T C 1.128 175.762 174.700 -0.109 0.000 0.990 397 T CA -0.668 61.343 62.100 -0.150 0.000 0.938 397 T CB 0.903 69.696 68.868 -0.125 0.000 1.206 397 T HN 0.594 nan 8.240 nan 0.000 0.573 398 N N -0.062 118.608 118.700 -0.050 0.000 2.521 398 N HA -0.042 4.710 4.740 0.021 0.000 0.188 398 N C 0.835 176.507 175.510 0.270 0.000 1.146 398 N CA 0.475 53.547 53.050 0.036 0.000 0.893 398 N CB -0.193 38.285 38.487 -0.014 0.000 0.975 398 N HN 0.636 nan 8.380 nan 0.000 0.451 399 E N -0.408 119.871 120.200 0.133 0.000 2.485 399 E HA 0.101 4.463 4.350 0.021 0.000 0.213 399 E C 1.124 177.666 176.600 -0.097 0.000 0.923 399 E CA 0.263 56.713 56.400 0.082 0.000 1.054 399 E CB -0.104 29.587 29.700 -0.016 0.000 1.077 399 E HN 0.283 nan 8.360 nan 0.000 0.509 400 T N 0.985 115.418 114.554 -0.201 0.000 2.649 400 T HA -0.177 4.186 4.350 0.021 0.000 0.268 400 T C 0.989 175.337 174.700 -0.586 0.000 1.036 400 T CA 1.400 63.198 62.100 -0.503 0.000 1.157 400 T CB -0.257 68.135 68.868 -0.794 0.000 0.861 400 T HN 0.080 nan 8.240 nan 0.000 0.445 401 F N 0.007 119.953 119.950 -0.005 0.000 2.684 401 F HA 0.433 4.972 4.527 0.020 0.000 0.298 401 F C 1.557 177.193 175.800 -0.273 0.000 1.120 401 F CA -0.966 57.038 58.000 0.006 0.000 1.332 401 F CB -0.422 38.678 39.000 0.167 0.000 0.986 401 F HN -0.101 nan 8.300 nan 0.000 0.524 402 V N 0.639 120.240 119.914 -0.522 0.000 2.392 402 V HA -0.275 3.857 4.120 0.021 0.000 0.249 402 V C 2.233 177.961 176.094 -0.611 0.000 1.059 402 V CA 2.668 64.282 62.300 -1.144 0.000 1.051 402 V CB -0.377 30.847 31.823 -0.999 0.000 0.658 402 V HN 0.547 nan 8.190 nan 0.000 0.455 403 S N -0.999 114.540 115.700 -0.267 0.000 2.555 403 S HA 0.043 4.525 4.470 0.021 0.000 0.230 403 S C 1.499 176.117 174.600 0.030 0.000 0.978 403 S CA 1.105 59.244 58.200 -0.101 0.000 0.934 403 S CB -0.356 62.811 63.200 -0.054 0.000 0.766 403 S HN 0.590 nan 8.310 nan 0.000 0.533 404 L N 0.433 121.678 121.223 0.036 0.000 2.640 404 L HA 0.407 4.760 4.340 0.021 0.000 0.230 404 L C 2.528 179.419 176.870 0.035 0.000 1.123 404 L CA 0.370 55.248 54.840 0.063 0.000 0.900 404 L CB -0.307 41.799 42.059 0.079 0.000 1.146 404 L HN 0.373 nan 8.230 nan 0.000 0.484 405 A N -0.340 122.446 122.820 -0.058 0.000 1.986 405 A HA -0.213 4.119 4.320 0.021 0.000 0.220 405 A C 1.676 179.101 177.584 -0.266 0.000 1.171 405 A CA 1.465 53.432 52.037 -0.117 0.000 0.640 405 A CB -0.514 18.327 19.000 -0.265 0.000 0.811 405 A HN 0.467 nan 8.150 nan 0.000 0.451 406 H N -0.585 118.543 119.070 0.098 0.000 2.505 406 H HA 0.312 4.880 4.556 0.021 0.000 0.289 406 H C -0.418 174.947 175.328 0.060 0.000 1.052 406 H CA 0.103 56.203 56.048 0.086 0.000 1.156 406 H CB 0.150 29.948 29.762 0.061 0.000 1.507 406 H HN 0.308 nan 8.280 nan 0.000 0.548 407 S N 2.917 118.680 115.700 0.105 0.000 2.475 407 S HA 0.223 4.706 4.470 0.021 0.000 0.298 407 S C -2.106 172.507 174.600 0.022 0.000 1.119 407 S CA -1.186 57.039 58.200 0.042 0.000 1.085 407 S CB 2.259 65.459 63.200 0.001 0.000 1.028 407 S HN 0.181 nan 8.310 nan 0.000 0.489 408 P HA 0.169 nan 4.420 nan 0.000 0.220 408 P C -0.433 176.784 177.300 -0.139 0.000 1.778 408 P CA -0.398 62.585 63.100 -0.195 0.000 0.912 408 P CB -0.286 31.229 31.700 -0.309 0.000 1.861 409 L N 1.761 122.979 121.223 -0.009 0.000 2.534 409 L HA -0.006 4.346 4.340 0.021 0.000 0.271 409 L C 1.262 178.242 176.870 0.183 0.000 1.178 409 L CA 0.910 55.747 54.840 -0.005 0.000 0.907 409 L CB 0.029 42.065 42.059 -0.039 0.000 1.164 409 L HN 0.132 nan 8.230 nan 0.000 0.482 410 H N 4.855 123.913 119.070 -0.021 0.000 2.506 410 H HA 0.407 4.976 4.556 0.021 0.000 0.289 410 H C -0.218 175.089 175.328 -0.035 0.000 1.009 410 H CA 0.429 56.474 56.048 -0.004 0.000 1.303 410 H CB 0.264 30.033 29.762 0.012 0.000 1.453 410 H HN 0.443 nan 8.280 nan 0.000 0.526 411 I N 1.367 121.961 120.570 0.041 0.000 2.466 411 I HA 0.226 4.408 4.170 0.021 0.000 0.289 411 I C -1.289 174.666 176.117 -0.271 0.000 1.026 411 I CA -0.927 60.318 61.300 -0.090 0.000 1.078 411 I CB 2.847 40.813 38.000 -0.057 0.000 1.249 411 I HN -0.110 nan 8.210 nan 0.000 0.429 412 L N 7.226 128.307 121.223 -0.237 0.000 2.404 412 L HA 0.517 4.870 4.340 0.021 0.000 0.272 412 L C -0.993 175.753 176.870 -0.207 0.000 0.980 412 L CA -0.156 54.524 54.840 -0.267 0.000 0.836 412 L CB 1.450 43.361 42.059 -0.248 0.000 1.238 412 L HN 0.482 nan 8.230 nan 0.000 0.408 413 N N 5.443 124.009 118.700 -0.223 0.000 2.444 413 N HA 0.373 5.126 4.740 0.021 0.000 0.262 413 N C -0.566 174.926 175.510 -0.030 0.000 0.974 413 N CA -0.192 52.779 53.050 -0.132 0.000 0.933 413 N CB 1.217 39.606 38.487 -0.163 0.000 1.137 413 N HN 0.792 nan 8.380 nan 0.000 0.498 414 L N 2.362 123.605 121.223 0.033 0.000 3.202 414 L HA 0.157 4.510 4.340 0.021 0.000 0.278 414 L C 0.820 177.766 176.870 0.127 0.000 1.268 414 L CA -0.278 54.642 54.840 0.134 0.000 1.034 414 L CB 0.245 42.426 42.059 0.204 0.000 1.407 414 L HN 0.503 nan 8.230 nan 0.000 0.581 415 T N -2.783 111.813 114.554 0.070 0.000 2.813 415 T HA 0.170 4.532 4.350 0.021 0.000 0.297 415 T C 0.677 175.422 174.700 0.076 0.000 1.036 415 T CA -0.444 61.695 62.100 0.065 0.000 1.044 415 T CB 0.621 69.501 68.868 0.021 0.000 0.993 415 T HN 0.302 nan 8.240 nan 0.000 0.535 416 K N 0.981 121.423 120.400 0.070 0.000 3.071 416 K HA -0.176 4.156 4.320 0.021 0.000 0.262 416 K C 0.044 176.697 176.600 0.087 0.000 0.977 416 K CA 0.580 56.904 56.287 0.063 0.000 0.721 416 K CB -1.559 30.962 32.500 0.036 0.000 1.293 416 K HN 0.569 nan 8.250 nan 0.000 0.475 417 N N 0.729 119.501 118.700 0.119 0.000 2.177 417 N HA 0.050 4.803 4.740 0.021 0.000 0.218 417 N C -0.505 175.076 175.510 0.117 0.000 1.182 417 N CA 0.014 53.159 53.050 0.159 0.000 0.882 417 N CB 0.570 39.208 38.487 0.252 0.000 1.052 417 N HN 0.258 nan 8.380 nan 0.000 0.519 418 K N 0.630 121.082 120.400 0.087 0.000 3.069 418 K HA -0.165 4.167 4.320 0.021 0.000 0.267 418 K C -0.335 176.296 176.600 0.052 0.000 1.082 418 K CA 0.427 56.752 56.287 0.063 0.000 0.782 418 K CB -1.722 30.809 32.500 0.052 0.000 1.230 418 K HN 0.306 nan 8.250 nan 0.000 0.488 419 I N 0.506 121.115 120.570 0.065 0.000 2.683 419 I HA -0.103 4.080 4.170 0.021 0.000 0.286 419 I C 1.607 177.741 176.117 0.027 0.000 1.175 419 I CA 0.445 61.774 61.300 0.049 0.000 1.429 419 I CB 1.289 39.342 38.000 0.087 0.000 1.371 419 I HN 0.204 nan 8.210 nan 0.000 0.569 420 S N 4.936 120.636 115.700 -0.001 0.000 2.564 420 S HA 0.191 4.674 4.470 0.021 0.000 0.231 420 S C 0.482 175.051 174.600 -0.052 0.000 1.067 420 S CA 0.356 58.542 58.200 -0.024 0.000 0.908 420 S CB 0.328 63.515 63.200 -0.022 0.000 0.809 420 S HN 0.528 nan 8.310 nan 0.000 0.491 421 K N 1.106 121.476 120.400 -0.050 0.000 2.498 421 K HA 0.495 4.827 4.320 0.021 0.000 0.254 421 K C -1.874 174.683 176.600 -0.072 0.000 0.933 421 K CA -0.414 55.829 56.287 -0.073 0.000 0.806 421 K CB 1.864 34.317 32.500 -0.078 0.000 1.301 421 K HN 0.225 nan 8.250 nan 0.000 0.432 422 I N 2.956 123.469 120.570 -0.095 0.000 2.411 422 I HA 0.251 4.433 4.170 0.021 0.000 0.284 422 I C 0.329 176.338 176.117 -0.180 0.000 1.012 422 I CA -0.560 60.666 61.300 -0.124 0.000 1.119 422 I CB 1.806 39.750 38.000 -0.094 0.000 1.261 422 I HN 0.406 nan 8.210 nan 0.000 0.448 423 E N 3.303 123.392 120.200 -0.184 0.000 2.359 423 E HA 0.353 4.716 4.350 0.021 0.000 0.255 423 E C -0.199 176.274 176.600 -0.212 0.000 1.191 423 E CA -0.698 55.596 56.400 -0.177 0.000 0.952 423 E CB 0.898 30.513 29.700 -0.142 0.000 1.152 423 E HN 0.470 nan 8.360 nan 0.000 0.496 424 S N 1.684 117.275 115.700 -0.181 0.000 2.560 424 S HA -0.025 4.458 4.470 0.021 0.000 0.284 424 S C -0.205 174.287 174.600 -0.180 0.000 1.327 424 S CA -0.023 58.069 58.200 -0.181 0.000 1.055 424 S CB 0.109 63.224 63.200 -0.142 0.000 0.868 424 S HN 0.591 nan 8.310 nan 0.000 0.506 425 D N 0.053 120.344 120.400 -0.182 0.000 2.911 425 D HA -0.233 4.419 4.640 0.021 0.000 0.227 425 D C 0.982 177.145 176.300 -0.229 0.000 1.164 425 D CA 0.934 54.816 54.000 -0.197 0.000 0.782 425 D CB -1.485 39.185 40.800 -0.218 0.000 1.094 425 D HN 0.620 nan 8.370 nan 0.000 0.425 426 A N -0.568 122.078 122.820 -0.289 0.000 2.019 426 A HA -0.030 4.303 4.320 0.021 0.000 0.219 426 A C 1.421 178.752 177.584 -0.423 0.000 1.164 426 A CA 1.024 52.806 52.037 -0.425 0.000 0.644 426 A CB -0.300 18.260 19.000 -0.734 0.000 0.805 426 A HN 0.238 nan 8.150 nan 0.000 0.449 427 F N -0.352 119.658 119.950 0.100 0.000 2.735 427 F HA 0.159 4.699 4.527 0.020 0.000 0.304 427 F C 1.945 177.737 175.800 -0.012 0.000 1.119 427 F CA 0.142 58.202 58.000 0.099 0.000 1.280 427 F CB -0.145 38.915 39.000 0.100 0.000 0.994 427 F HN 0.203 nan 8.300 nan 0.000 0.520 428 S N -1.339 114.286 115.700 -0.125 0.000 2.447 428 S HA -0.201 4.281 4.470 0.021 0.000 0.233 428 S C 1.362 175.805 174.600 -0.261 0.000 1.006 428 S CA 0.651 58.676 58.200 -0.292 0.000 0.957 428 S CB -0.681 62.195 63.200 -0.540 0.000 0.773 428 S HN 0.585 nan 8.310 nan 0.000 0.507 429 W N 1.339 122.683 121.300 0.074 0.000 2.905 429 W HA 0.424 5.097 4.660 0.021 0.000 0.251 429 W C 0.535 177.082 176.519 0.046 0.000 1.305 429 W CA -0.543 56.827 57.345 0.043 0.000 1.465 429 W CB -0.166 29.328 29.460 0.056 0.000 1.122 429 W HN 0.173 nan 8.180 nan 0.000 0.659 430 L N 1.253 122.623 121.223 0.246 0.000 2.923 430 L HA 0.418 4.770 4.340 0.021 0.000 0.231 430 L C 1.786 178.710 176.870 0.090 0.000 1.300 430 L CA -0.313 54.627 54.840 0.167 0.000 1.184 430 L CB -0.471 41.672 42.059 0.141 0.000 1.511 430 L HN 0.072 nan 8.230 nan 0.000 0.448 431 G N -1.227 107.593 108.800 0.033 0.000 2.498 431 G HA2 -0.213 3.760 3.960 0.021 0.000 0.219 431 G HA3 -0.213 3.760 3.960 0.021 0.000 0.219 431 G C 1.026 175.795 174.900 -0.218 0.000 1.119 431 G CA 0.523 45.553 45.100 -0.116 0.000 0.766 431 G HN 0.588 nan 8.290 nan 0.000 0.552 432 H N -1.621 117.492 119.070 0.071 0.000 2.586 432 H HA 0.317 4.885 4.556 0.021 0.000 0.273 432 H C 0.383 175.743 175.328 0.053 0.000 0.997 432 H CA -0.847 55.249 56.048 0.081 0.000 1.177 432 H CB 0.520 30.386 29.762 0.174 0.000 1.471 432 H HN 0.195 nan 8.280 nan 0.000 0.538 433 L N 1.794 123.088 121.223 0.120 0.000 2.540 433 L HA -0.047 4.306 4.340 0.021 0.000 0.276 433 L C 0.772 177.637 176.870 -0.008 0.000 1.212 433 L CA 0.881 55.751 54.840 0.050 0.000 0.893 433 L CB 0.615 42.669 42.059 -0.007 0.000 1.138 433 L HN 0.286 nan 8.230 nan 0.000 0.491 434 E N 2.578 122.769 120.200 -0.015 0.000 2.306 434 E HA 0.167 4.529 4.350 0.021 0.000 0.201 434 E C -0.646 175.995 176.600 0.069 0.000 0.874 434 E CA 0.106 56.508 56.400 0.002 0.000 0.972 434 E CB 0.657 30.309 29.700 -0.079 0.000 0.957 434 E HN 0.393 nan 8.360 nan 0.000 0.492 435 V N 2.423 122.367 119.914 0.050 0.000 2.487 435 V HA 0.332 4.464 4.120 0.021 0.000 0.298 435 V C -1.146 174.942 176.094 -0.010 0.000 1.028 435 V CA -0.809 61.534 62.300 0.073 0.000 0.860 435 V CB 1.922 33.835 31.823 0.149 0.000 0.991 435 V HN 0.079 nan 8.190 nan 0.000 0.427 436 L N 4.171 125.377 121.223 -0.029 0.000 2.372 436 L HA 0.653 5.005 4.340 0.021 0.000 0.273 436 L C -0.843 176.048 176.870 0.035 0.000 0.989 436 L CA 0.014 54.795 54.840 -0.097 0.000 0.841 436 L CB 1.564 43.461 42.059 -0.270 0.000 1.225 436 L HN 0.625 nan 8.230 nan 0.000 0.414 437 D N 4.909 125.331 120.400 0.035 0.000 2.443 437 D HA 0.285 4.937 4.640 0.021 0.000 0.221 437 D C 0.215 176.551 176.300 0.060 0.000 1.097 437 D CA 0.026 54.063 54.000 0.061 0.000 0.865 437 D CB 0.984 41.717 40.800 -0.112 0.000 1.034 437 D HN 0.645 nan 8.370 nan 0.000 0.511 438 L N 2.673 123.968 121.223 0.121 0.000 2.857 438 L HA 0.346 4.699 4.340 0.021 0.000 0.249 438 L C 1.434 178.395 176.870 0.152 0.000 1.172 438 L CA -0.426 54.506 54.840 0.153 0.000 0.980 438 L CB 0.777 42.963 42.059 0.212 0.000 1.299 438 L HN 0.314 nan 8.230 nan 0.000 0.535 439 G N -0.607 108.275 108.800 0.136 0.000 2.667 439 G HA2 0.311 4.284 3.960 0.021 0.000 0.250 439 G HA3 0.311 4.284 3.960 0.021 0.000 0.250 439 G C 0.590 175.578 174.900 0.146 0.000 1.212 439 G CA -0.454 44.741 45.100 0.158 0.000 0.874 439 G HN 0.287 nan 8.290 nan 0.000 0.561 440 L N -0.235 121.105 121.223 0.196 0.000 3.660 440 L HA -0.203 4.150 4.340 0.021 0.000 0.440 440 L C 0.512 177.446 176.870 0.106 0.000 1.262 440 L CA 0.073 54.997 54.840 0.141 0.000 0.837 440 L CB -1.675 40.423 42.059 0.065 0.000 1.689 440 L HN 0.559 nan 8.230 nan 0.000 0.890 441 N N -0.021 118.750 118.700 0.118 0.000 3.184 441 N HA 0.439 5.191 4.740 0.021 0.000 0.353 441 N C 0.097 175.656 175.510 0.082 0.000 1.441 441 N CA -0.583 52.525 53.050 0.096 0.000 0.723 441 N CB 0.705 39.255 38.487 0.104 0.000 1.547 441 N HN 0.192 nan 8.380 nan 0.000 0.624 442 E N 0.493 120.729 120.200 0.060 0.000 2.995 442 E HA 0.344 4.706 4.350 0.021 0.000 0.203 442 E C -0.557 176.046 176.600 0.006 0.000 0.980 442 E CA -0.125 56.300 56.400 0.042 0.000 1.172 442 E CB 0.286 30.008 29.700 0.037 0.000 1.088 442 E HN 0.389 nan 8.360 nan 0.000 0.463 443 I N 1.508 122.079 120.570 0.002 0.000 2.587 443 I HA 0.100 4.282 4.170 0.021 0.000 0.284 443 I C 0.788 176.790 176.117 -0.191 0.000 1.134 443 I CA 0.414 61.678 61.300 -0.060 0.000 1.410 443 I CB 0.610 38.607 38.000 -0.006 0.000 1.392 443 I HN 0.111 nan 8.210 nan 0.000 0.545 444 G N 6.700 115.294 108.800 -0.344 0.000 3.003 444 G HA2 0.582 4.554 3.960 0.021 0.000 0.293 444 G HA3 0.582 4.554 3.960 0.021 0.000 0.293 444 G C -0.885 173.467 174.900 -0.912 0.000 1.553 444 G CA -0.314 44.248 45.100 -0.896 0.000 1.078 444 G HN 0.676 nan 8.290 nan 0.000 0.550 445 Q N -0.059 119.226 119.800 -0.859 0.000 2.832 445 Q HA 0.468 4.820 4.340 0.021 0.000 0.322 445 Q C -1.565 174.361 176.000 -0.123 0.000 0.842 445 Q CA -1.096 54.506 55.803 -0.335 0.000 0.780 445 Q CB 1.402 30.020 28.738 -0.199 0.000 1.411 445 Q HN 0.319 nan 8.270 nan 0.000 0.490 446 E N 0.942 121.127 120.200 -0.025 0.000 2.191 446 E HA 0.402 4.765 4.350 0.021 0.000 0.278 446 E C -1.125 175.427 176.600 -0.080 0.000 0.972 446 E CA -0.659 55.739 56.400 -0.003 0.000 0.804 446 E CB 1.128 30.832 29.700 0.007 0.000 1.110 446 E HN 0.520 nan 8.360 nan 0.000 0.394 447 L N 5.180 126.347 121.223 -0.093 0.000 2.282 447 L HA 0.142 4.495 4.340 0.021 0.000 0.287 447 L C 1.601 178.356 176.870 -0.191 0.000 1.075 447 L CA -0.228 54.510 54.840 -0.169 0.000 0.839 447 L CB 0.742 42.708 42.059 -0.156 0.000 1.219 447 L HN 0.781 nan 8.230 nan 0.000 0.434 448 T N -1.829 112.608 114.554 -0.196 0.000 2.985 448 T HA 0.034 4.397 4.350 0.021 0.000 0.266 448 T C 1.420 176.018 174.700 -0.170 0.000 1.076 448 T CA 0.825 62.829 62.100 -0.161 0.000 1.135 448 T CB 0.266 69.051 68.868 -0.140 0.000 0.890 448 T HN 0.841 nan 8.240 nan 0.000 0.480 449 G N 0.485 109.144 108.800 -0.236 0.000 2.238 449 G HA2 -0.230 3.742 3.960 0.021 0.000 0.217 449 G HA3 -0.230 3.742 3.960 0.021 0.000 0.217 449 G C 1.000 175.801 174.900 -0.166 0.000 0.996 449 G CA 0.273 45.274 45.100 -0.165 0.000 0.632 449 G HN 0.451 nan 8.290 nan 0.000 0.503 450 Q N 0.421 120.100 119.800 -0.202 0.000 2.435 450 Q HA 0.073 4.426 4.340 0.021 0.000 0.207 450 Q C 2.055 177.916 176.000 -0.231 0.000 0.956 450 Q CA 1.460 57.163 55.803 -0.167 0.000 0.917 450 Q CB 0.014 28.665 28.738 -0.145 0.000 0.997 450 Q HN 0.736 nan 8.270 nan 0.000 0.497 451 E N -0.381 119.556 120.200 -0.437 0.000 2.204 451 E HA -0.158 4.204 4.350 0.021 0.000 0.194 451 E C 0.881 177.297 176.600 -0.307 0.000 0.989 451 E CA 0.954 57.021 56.400 -0.556 0.000 0.824 451 E CB -0.206 28.884 29.700 -1.017 0.000 0.756 451 E HN 0.488 nan 8.360 nan 0.000 0.477 452 W N 0.983 122.346 121.300 0.105 0.000 3.316 452 W HA 0.227 4.899 4.660 0.020 0.000 0.327 452 W C 0.534 177.094 176.519 0.069 0.000 1.232 452 W CA -1.079 56.341 57.345 0.124 0.000 1.805 452 W CB 0.135 29.647 29.460 0.087 0.000 1.090 452 W HN -0.204 nan 8.180 nan 0.000 0.654 453 R N 1.337 121.929 120.500 0.154 0.000 2.484 453 R HA 0.286 4.639 4.340 0.021 0.000 0.293 453 R C 1.294 177.623 176.300 0.049 0.000 1.023 453 R CA 1.538 57.678 56.100 0.066 0.000 1.037 453 R CB 0.171 30.458 30.300 -0.022 0.000 0.951 453 R HN 0.326 nan 8.270 nan 0.000 0.418 454 G N 3.516 112.334 108.800 0.031 0.000 2.213 454 G HA2 -0.249 3.724 3.960 0.021 0.000 0.236 454 G HA3 -0.249 3.724 3.960 0.021 0.000 0.236 454 G C 0.191 175.109 174.900 0.030 0.000 0.991 454 G CA 0.003 45.104 45.100 0.002 0.000 0.629 454 G HN 0.555 nan 8.290 nan 0.000 0.517 455 L N 2.303 123.573 121.223 0.078 0.000 2.437 455 L HA 0.278 4.630 4.340 0.021 0.000 0.243 455 L C 1.872 178.751 176.870 0.015 0.000 1.346 455 L CA 0.420 55.292 54.840 0.054 0.000 1.233 455 L CB -0.054 42.053 42.059 0.081 0.000 1.436 455 L HN 0.609 nan 8.230 nan 0.000 0.416 456 E N -1.024 119.170 120.200 -0.010 0.000 2.427 456 E HA -0.102 4.260 4.350 0.021 0.000 0.196 456 E C 0.607 177.191 176.600 -0.026 0.000 1.028 456 E CA 0.491 56.879 56.400 -0.020 0.000 0.864 456 E CB 0.151 29.831 29.700 -0.034 0.000 0.813 456 E HN 0.512 nan 8.360 nan 0.000 0.514 457 N N 0.619 119.300 118.700 -0.032 0.000 2.200 457 N HA 0.135 4.888 4.740 0.021 0.000 0.224 457 N C -0.405 175.097 175.510 -0.014 0.000 1.179 457 N CA -0.308 52.725 53.050 -0.027 0.000 0.877 457 N CB 0.734 39.197 38.487 -0.039 0.000 1.072 457 N HN 0.140 nan 8.380 nan 0.000 0.519 458 I N 1.110 121.668 120.570 -0.021 0.000 2.683 458 I HA -0.092 4.091 4.170 0.021 0.000 0.286 458 I C 0.983 177.108 176.117 0.013 0.000 1.175 458 I CA 0.281 61.563 61.300 -0.030 0.000 1.429 458 I CB 0.313 38.254 38.000 -0.098 0.000 1.371 458 I HN 0.004 nan 8.210 nan 0.000 0.569 459 F N 6.502 126.367 119.950 -0.141 0.000 2.557 459 F HA 0.379 4.919 4.527 0.022 0.000 0.278 459 F C 0.554 176.246 175.800 -0.180 0.000 1.051 459 F CA 0.095 58.011 58.000 -0.140 0.000 1.357 459 F CB 0.253 39.186 39.000 -0.112 0.000 1.104 459 F HN 0.512 nan 8.300 nan 0.000 0.654 460 E N 0.982 121.035 120.200 -0.245 0.000 2.308 460 E HA 0.463 4.826 4.350 0.021 0.000 0.275 460 E C -1.648 174.760 176.600 -0.320 0.000 0.890 460 E CA -0.573 55.576 56.400 -0.418 0.000 0.754 460 E CB 1.839 31.305 29.700 -0.390 0.000 1.207 460 E HN 0.184 nan 8.360 nan 0.000 0.426 461 I N 4.436 124.752 120.570 -0.423 0.000 2.439 461 I HA 0.294 4.477 4.170 0.021 0.000 0.285 461 I C -1.300 174.640 176.117 -0.295 0.000 1.021 461 I CA -0.752 60.348 61.300 -0.333 0.000 1.091 461 I CB 1.164 38.887 38.000 -0.462 0.000 1.242 461 I HN 0.526 nan 8.210 nan 0.000 0.439 462 Y N 6.497 126.722 120.300 -0.124 0.000 2.335 462 Y HA 0.427 4.989 4.550 0.020 0.000 0.339 462 Y C 0.578 176.470 175.900 -0.013 0.000 0.987 462 Y CA -0.358 57.703 58.100 -0.064 0.000 1.140 462 Y CB 1.374 39.821 38.460 -0.022 0.000 1.173 462 Y HN 0.479 nan 8.280 nan 0.000 0.486 463 L N 1.624 122.934 121.223 0.145 0.000 3.259 463 L HA 0.231 4.583 4.340 0.021 0.000 0.292 463 L C 0.183 177.115 176.870 0.104 0.000 1.219 463 L CA 0.060 54.988 54.840 0.146 0.000 1.035 463 L CB 0.501 42.661 42.059 0.168 0.000 1.424 463 L HN 0.488 nan 8.230 nan 0.000 0.603 464 S N -0.106 115.637 115.700 0.072 0.000 2.568 464 S HA 0.136 4.619 4.470 0.021 0.000 0.282 464 S C -0.518 174.088 174.600 0.011 0.000 1.338 464 S CA 0.056 58.204 58.200 -0.086 0.000 1.045 464 S CB -0.020 63.058 63.200 -0.203 0.000 0.873 464 S HN 0.278 nan 8.310 nan 0.000 0.516 465 Y N 0.046 120.386 120.300 0.067 0.000 3.004 465 Y HA -0.203 4.360 4.550 0.021 0.000 0.160 465 Y C 0.265 176.199 175.900 0.057 0.000 1.739 465 Y CA -0.027 58.105 58.100 0.054 0.000 0.959 465 Y CB -2.044 36.442 38.460 0.042 0.000 1.460 465 Y HN 0.580 nan 8.280 nan 0.000 0.385 466 N N -0.108 118.678 118.700 0.144 0.000 2.629 466 N HA 0.365 5.117 4.740 0.021 0.000 0.279 466 N C 1.135 176.702 175.510 0.095 0.000 1.344 466 N CA -0.793 52.322 53.050 0.109 0.000 0.789 466 N CB 1.578 40.116 38.487 0.085 0.000 1.508 466 N HN 0.166 nan 8.380 nan 0.000 0.516 467 K N -0.028 120.413 120.400 0.069 0.000 1.973 467 K HA -0.067 4.265 4.320 0.021 0.000 0.212 467 K C -0.239 176.471 176.600 0.183 0.000 1.047 467 K CA 1.764 58.112 56.287 0.102 0.000 0.937 467 K CB -0.174 32.370 32.500 0.075 0.000 0.721 467 K HN 0.616 nan 8.250 nan 0.000 0.440 468 Y N -2.231 118.095 120.300 0.044 0.000 2.521 468 Y HA 0.546 5.109 4.550 0.021 0.000 0.332 468 Y C -1.849 174.077 175.900 0.044 0.000 1.121 468 Y CA -1.454 56.668 58.100 0.037 0.000 1.037 468 Y CB 0.960 39.433 38.460 0.022 0.000 1.330 468 Y HN -0.160 nan 8.280 nan 0.000 0.452 469 L N 4.652 125.991 121.223 0.193 0.000 2.404 469 L HA 0.484 4.836 4.340 0.021 0.000 0.272 469 L C -0.844 176.134 176.870 0.181 0.000 0.980 469 L CA -0.743 54.170 54.840 0.123 0.000 0.836 469 L CB 2.274 44.403 42.059 0.117 0.000 1.238 469 L HN 0.804 nan 8.230 nan 0.000 0.408 470 Q N 4.112 124.013 119.800 0.169 0.000 2.307 470 Q HA 0.616 4.969 4.340 0.021 0.000 0.262 470 Q C -1.390 174.634 176.000 0.040 0.000 0.961 470 Q CA -0.607 55.267 55.803 0.119 0.000 0.882 470 Q CB 1.638 30.460 28.738 0.139 0.000 1.264 470 Q HN 0.590 nan 8.270 nan 0.000 0.446 471 L N 2.355 123.586 121.223 0.014 0.000 2.375 471 L HA 0.643 4.996 4.340 0.021 0.000 0.268 471 L C 0.403 177.232 176.870 -0.069 0.000 1.058 471 L CA -0.646 54.166 54.840 -0.046 0.000 0.803 471 L CB 1.717 43.748 42.059 -0.047 0.000 1.212 471 L HN 0.773 nan 8.230 nan 0.000 0.451 472 T N -3.135 111.356 114.554 -0.105 0.000 2.804 472 T HA 0.338 4.700 4.350 0.021 0.000 0.290 472 T C 0.602 175.240 174.700 -0.103 0.000 1.099 472 T CA -0.944 61.103 62.100 -0.089 0.000 1.011 472 T CB 1.560 70.379 68.868 -0.080 0.000 1.291 472 T HN 0.708 nan 8.240 nan 0.000 0.523 473 R N 0.519 120.973 120.500 -0.076 0.000 2.237 473 R HA 0.089 4.442 4.340 0.021 0.000 0.219 473 R C 0.813 177.085 176.300 -0.047 0.000 1.080 473 R CA 1.395 57.458 56.100 -0.061 0.000 0.995 473 R CB -0.728 29.548 30.300 -0.039 0.000 0.875 473 R HN 0.641 nan 8.270 nan 0.000 0.462 474 N N 0.126 118.790 118.700 -0.060 0.000 2.203 474 N HA 0.118 4.870 4.740 0.021 0.000 0.207 474 N C 0.512 175.973 175.510 -0.082 0.000 1.130 474 N CA -0.137 52.885 53.050 -0.046 0.000 0.861 474 N CB 0.829 39.290 38.487 -0.043 0.000 1.005 474 N HN 0.076 nan 8.380 nan 0.000 0.507 475 S N 0.225 115.820 115.700 -0.174 0.000 2.387 475 S HA -0.095 4.387 4.470 0.021 0.000 0.230 475 S C 0.465 174.751 174.600 -0.524 0.000 1.035 475 S CA 1.334 59.289 58.200 -0.408 0.000 1.014 475 S CB -0.075 62.752 63.200 -0.623 0.000 0.836 475 S HN 0.364 nan 8.310 nan 0.000 0.466 476 F N -0.512 119.526 119.950 0.146 0.000 2.791 476 F HA 0.523 5.062 4.527 0.020 0.000 0.316 476 F C 1.407 177.260 175.800 0.088 0.000 1.134 476 F CA -0.584 57.496 58.000 0.134 0.000 1.222 476 F CB -0.370 38.661 39.000 0.053 0.000 1.034 476 F HN 0.059 nan 8.300 nan 0.000 0.516 477 A N 0.167 123.089 122.820 0.171 0.000 1.972 477 A HA -0.062 4.270 4.320 0.021 0.000 0.219 477 A C 1.952 179.602 177.584 0.109 0.000 1.169 477 A CA 1.340 53.446 52.037 0.115 0.000 0.635 477 A CB -0.581 18.456 19.000 0.062 0.000 0.810 477 A HN 0.433 nan 8.150 nan 0.000 0.446 478 L N -0.056 121.251 121.223 0.139 0.000 2.599 478 L HA 0.037 4.390 4.340 0.021 0.000 0.230 478 L C 0.423 177.364 176.870 0.119 0.000 1.141 478 L CA 0.183 55.096 54.840 0.122 0.000 0.877 478 L CB 0.176 42.316 42.059 0.133 0.000 1.009 478 L HN 0.346 nan 8.230 nan 0.000 0.447 479 V N -3.803 116.183 119.914 0.121 0.000 2.454 479 V HA 0.289 4.421 4.120 0.021 0.000 0.255 479 V C -1.734 174.373 176.094 0.021 0.000 1.009 479 V CA -1.059 61.273 62.300 0.054 0.000 1.149 479 V CB 0.134 31.955 31.823 -0.003 0.000 1.418 479 V HN -0.026 nan 8.190 nan 0.000 0.567 480 P HA -0.055 nan 4.420 nan 0.000 0.239 480 P C 1.356 178.648 177.300 -0.013 0.000 1.184 480 P CA 1.466 64.573 63.100 0.012 0.000 0.760 480 P CB 0.310 32.022 31.700 0.021 0.000 0.884 481 S N -1.223 114.464 115.700 -0.021 0.000 2.501 481 S HA 0.024 4.506 4.470 0.021 0.000 0.220 481 S C 0.904 175.471 174.600 -0.056 0.000 0.997 481 S CA -0.387 57.799 58.200 -0.024 0.000 0.919 481 S CB -1.100 62.095 63.200 -0.009 0.000 0.778 481 S HN 0.021 nan 8.310 nan 0.000 0.523 482 L N 2.468 123.627 121.223 -0.107 0.000 2.601 482 L HA 0.083 4.435 4.340 0.021 0.000 0.277 482 L C 1.087 177.807 176.870 -0.249 0.000 1.219 482 L CA 0.852 55.568 54.840 -0.205 0.000 0.915 482 L CB 0.267 42.171 42.059 -0.260 0.000 1.160 482 L HN 0.276 nan 8.230 nan 0.000 0.494 483 Q N 4.182 123.756 119.800 -0.376 0.000 2.378 483 Q HA 0.257 4.610 4.340 0.021 0.000 0.229 483 Q C -0.222 175.472 176.000 -0.510 0.000 0.882 483 Q CA 0.269 55.825 55.803 -0.412 0.000 0.936 483 Q CB 0.724 29.222 28.738 -0.400 0.000 1.092 483 Q HN 0.585 nan 8.270 nan 0.000 0.535 484 R N 0.770 120.888 120.500 -0.637 0.000 2.514 484 R HA 0.484 4.837 4.340 0.021 0.000 0.296 484 R C -1.759 174.212 176.300 -0.548 0.000 1.012 484 R CA -0.615 55.137 56.100 -0.580 0.000 0.897 484 R CB 1.988 31.885 30.300 -0.671 0.000 1.184 484 R HN -0.094 nan 8.270 nan 0.000 0.440 485 L N 4.044 124.976 121.223 -0.485 0.000 2.404 485 L HA 0.507 4.859 4.340 0.021 0.000 0.272 485 L C -1.356 175.289 176.870 -0.375 0.000 0.980 485 L CA -0.517 54.040 54.840 -0.472 0.000 0.836 485 L CB 1.889 43.617 42.059 -0.552 0.000 1.238 485 L HN 0.552 nan 8.230 nan 0.000 0.408 486 M N 7.228 126.635 119.600 -0.321 0.000 2.101 486 M HA 0.419 4.911 4.480 0.021 0.000 0.340 486 M C -0.544 175.688 176.300 -0.114 0.000 1.057 486 M CA -0.137 55.041 55.300 -0.203 0.000 0.984 486 M CB 1.158 33.665 32.600 -0.155 0.000 1.560 486 M HN 0.548 nan 8.290 nan 0.000 0.435 487 L N 2.690 123.854 121.223 -0.099 0.000 3.083 487 L HA 0.394 4.746 4.340 0.021 0.000 0.286 487 L C 0.354 177.179 176.870 -0.074 0.000 1.307 487 L CA -0.198 54.619 54.840 -0.038 0.000 0.897 487 L CB 0.389 42.467 42.059 0.032 0.000 1.306 487 L HN 0.683 nan 8.230 nan 0.000 0.569 488 R N 1.488 121.896 120.500 -0.153 0.000 2.340 488 R HA 0.284 4.636 4.340 0.021 0.000 0.300 488 R C 0.336 176.442 176.300 -0.324 0.000 1.069 488 R CA -0.340 55.621 56.100 -0.231 0.000 0.984 488 R CB 0.456 30.580 30.300 -0.293 0.000 1.003 488 R HN 0.280 nan 8.270 nan 0.000 0.459 489 R N 2.803 123.184 120.500 -0.199 0.000 3.127 489 R HA -0.139 4.213 4.340 0.021 0.000 0.247 489 R C 0.055 176.329 176.300 -0.044 0.000 0.896 489 R CA 0.858 56.889 56.100 -0.114 0.000 0.624 489 R CB -1.172 29.072 30.300 -0.093 0.000 1.154 489 R HN 0.590 nan 8.270 nan 0.000 0.474 490 V N -2.158 117.754 119.914 -0.003 0.000 3.166 490 V HA 0.535 4.667 4.120 0.021 0.000 0.332 490 V C 0.809 176.957 176.094 0.090 0.000 1.434 490 V CA 0.394 62.725 62.300 0.052 0.000 1.121 490 V CB 0.709 32.566 31.823 0.058 0.000 1.062 490 V HN 0.664 nan 8.190 nan 0.000 0.489 491 A N 0.561 123.423 122.820 0.070 0.000 2.640 491 A HA -0.224 4.108 4.320 0.021 0.000 0.300 491 A C 0.131 177.767 177.584 0.087 0.000 1.499 491 A CA 1.028 53.109 52.037 0.073 0.000 0.759 491 A CB -2.015 17.040 19.000 0.092 0.000 1.048 491 A HN 1.209 nan 8.150 nan 0.000 0.450 492 L N 0.580 121.848 121.223 0.075 0.000 2.559 492 L HA 0.235 4.587 4.340 0.021 0.000 0.274 492 L C 0.418 177.326 176.870 0.062 0.000 1.205 492 L CA 1.243 56.135 54.840 0.087 0.000 0.907 492 L CB 0.238 42.351 42.059 0.090 0.000 1.153 492 L HN 0.390 nan 8.230 nan 0.000 0.490 493 K N 4.200 124.642 120.400 0.070 0.000 2.267 493 K HA 0.357 4.690 4.320 0.021 0.000 0.246 493 K C 0.087 176.701 176.600 0.023 0.000 0.954 493 K CA -0.743 55.565 56.287 0.035 0.000 0.824 493 K CB 1.308 33.825 32.500 0.028 0.000 1.167 493 K HN 0.653 nan 8.250 nan 0.000 0.431 494 N N -0.231 118.468 118.700 -0.001 0.000 2.740 494 N HA -0.200 4.553 4.740 0.021 0.000 0.248 494 N C 0.483 175.973 175.510 -0.033 0.000 1.062 494 N CA 0.254 53.294 53.050 -0.017 0.000 0.704 494 N CB -0.916 37.559 38.487 -0.021 0.000 0.968 494 N HN 0.250 nan 8.380 nan 0.000 0.547 495 V N 0.808 120.710 119.914 -0.021 0.000 3.041 495 V HA -0.118 4.014 4.120 0.021 0.000 0.260 495 V C 1.323 177.392 176.094 -0.041 0.000 1.105 495 V CA 1.972 64.251 62.300 -0.034 0.000 1.125 495 V CB -0.008 31.845 31.823 0.049 0.000 0.730 495 V HN 0.444 nan 8.190 nan 0.000 0.479 496 D N -0.226 120.157 120.400 -0.029 0.000 2.519 496 D HA 0.063 4.715 4.640 0.021 0.000 0.238 496 D C 0.524 176.810 176.300 -0.023 0.000 1.192 496 D CA 0.041 54.029 54.000 -0.020 0.000 0.835 496 D CB -0.195 40.595 40.800 -0.018 0.000 0.975 496 D HN 0.348 nan 8.370 nan 0.000 0.490 497 S N -0.304 115.370 115.700 -0.042 0.000 2.592 497 S HA 0.350 4.833 4.470 0.021 0.000 0.271 497 S C -0.022 174.562 174.600 -0.027 0.000 1.326 497 S CA -0.587 57.589 58.200 -0.041 0.000 1.024 497 S CB 1.392 64.554 63.200 -0.064 0.000 0.921 497 S HN 0.196 nan 8.310 nan 0.000 0.527 498 S N 2.865 118.555 115.700 -0.016 0.000 2.659 498 S HA 0.503 4.985 4.470 0.021 0.000 0.312 498 S C -2.300 172.297 174.600 -0.006 0.000 1.114 498 S CA -1.273 56.925 58.200 -0.003 0.000 1.063 498 S CB 0.442 63.646 63.200 0.006 0.000 0.996 498 S HN 0.591 nan 8.310 nan 0.000 0.478 499 P HA 0.232 nan 4.420 nan 0.000 0.274 499 P C -0.159 177.132 177.300 -0.014 0.000 1.231 499 P CA -0.398 62.705 63.100 0.004 0.000 0.790 499 P CB 0.732 32.440 31.700 0.012 0.000 0.951 500 S N 1.660 117.357 115.700 -0.004 0.000 2.561 500 S HA 0.007 4.490 4.470 0.021 0.000 0.294 500 S C -1.369 173.161 174.600 -0.117 0.000 1.294 500 S CA -0.720 57.453 58.200 -0.045 0.000 1.055 500 S CB -0.313 62.912 63.200 0.041 0.000 0.819 500 S HN 0.265 nan 8.310 nan 0.000 0.503 501 P HA 0.015 nan 4.420 nan 0.000 0.225 501 P C 0.240 177.407 177.300 -0.221 0.000 1.148 501 P CA 0.977 63.884 63.100 -0.323 0.000 0.779 501 P CB 0.049 31.430 31.700 -0.532 0.000 0.780 502 F N -1.378 118.648 119.950 0.125 0.000 2.727 502 F HA 0.178 4.716 4.527 0.018 0.000 0.302 502 F C 2.306 178.131 175.800 0.041 0.000 1.097 502 F CA -0.079 57.957 58.000 0.059 0.000 1.330 502 F CB -0.999 37.997 39.000 -0.006 0.000 1.084 502 F HN -0.077 nan 8.300 nan 0.000 0.578 503 Q N 1.691 121.583 119.800 0.153 0.000 2.112 503 Q HA -0.169 4.184 4.340 0.021 0.000 0.206 503 Q C -0.543 175.511 176.000 0.090 0.000 0.987 503 Q CA 1.829 57.696 55.803 0.108 0.000 0.858 503 Q CB -1.155 27.625 28.738 0.069 0.000 0.905 503 Q HN 0.257 nan 8.270 nan 0.000 0.420 504 P HA -0.011 nan 4.420 nan 0.000 0.241 504 P C 0.020 177.357 177.300 0.061 0.000 1.191 504 P CA 0.529 63.673 63.100 0.073 0.000 0.771 504 P CB -0.088 31.660 31.700 0.080 0.000 0.929 505 L N 0.762 122.026 121.223 0.068 0.000 2.583 505 L HA 0.243 4.595 4.340 0.021 0.000 0.239 505 L C 1.703 178.571 176.870 -0.003 0.000 1.347 505 L CA -0.561 54.290 54.840 0.018 0.000 1.246 505 L CB -0.085 41.968 42.059 -0.010 0.000 1.496 505 L HN -0.215 nan 8.230 nan 0.000 0.413 506 R N 0.332 120.834 120.500 0.004 0.000 2.193 506 R HA -0.085 4.268 4.340 0.021 0.000 0.229 506 R C 0.758 177.043 176.300 -0.024 0.000 1.110 506 R CA 0.784 56.883 56.100 -0.001 0.000 0.988 506 R CB -0.190 30.114 30.300 0.007 0.000 0.871 506 R HN 0.489 nan 8.270 nan 0.000 0.458 507 N N 0.503 119.178 118.700 -0.041 0.000 2.270 507 N HA 0.028 4.780 4.740 0.021 0.000 0.198 507 N C -0.112 175.341 175.510 -0.094 0.000 1.117 507 N CA -0.153 52.863 53.050 -0.057 0.000 0.845 507 N CB 0.051 38.513 38.487 -0.042 0.000 0.980 507 N HN 0.016 nan 8.380 nan 0.000 0.486 508 L N 1.298 122.453 121.223 -0.114 0.000 2.513 508 L HA 0.032 4.385 4.340 0.021 0.000 0.272 508 L C 1.535 178.311 176.870 -0.157 0.000 1.187 508 L CA 0.753 55.491 54.840 -0.169 0.000 0.895 508 L CB 0.622 42.570 42.059 -0.186 0.000 1.147 508 L HN 0.212 nan 8.230 nan 0.000 0.483 509 T N 1.754 116.197 114.554 -0.186 0.000 2.978 509 T HA 0.380 4.742 4.350 0.021 0.000 0.248 509 T C 0.565 175.170 174.700 -0.159 0.000 1.018 509 T CA -0.003 62.006 62.100 -0.151 0.000 1.026 509 T CB 0.061 68.858 68.868 -0.119 0.000 1.032 509 T HN 0.290 nan 8.240 nan 0.000 0.485 510 I N 1.650 122.092 120.570 -0.214 0.000 2.499 510 I HA 0.597 4.780 4.170 0.021 0.000 0.288 510 I C -1.777 174.180 176.117 -0.267 0.000 1.048 510 I CA -1.294 59.882 61.300 -0.207 0.000 1.062 510 I CB 2.536 40.415 38.000 -0.202 0.000 1.238 510 I HN 0.068 nan 8.210 nan 0.000 0.426 511 L N 6.329 127.406 121.223 -0.243 0.000 2.404 511 L HA 0.539 4.891 4.340 0.021 0.000 0.272 511 L C -1.280 175.454 176.870 -0.227 0.000 0.980 511 L CA -0.057 54.598 54.840 -0.308 0.000 0.836 511 L CB 1.611 43.427 42.059 -0.405 0.000 1.238 511 L HN 0.421 nan 8.230 nan 0.000 0.408 512 D N 5.059 125.331 120.400 -0.214 0.000 2.414 512 D HA 0.353 5.005 4.640 0.021 0.000 0.232 512 D C -0.141 176.080 176.300 -0.131 0.000 1.070 512 D CA -0.063 53.852 54.000 -0.141 0.000 0.839 512 D CB 1.095 41.826 40.800 -0.116 0.000 1.079 512 D HN 0.644 nan 8.370 nan 0.000 0.521 513 L N 2.637 123.799 121.223 -0.103 0.000 3.066 513 L HA 0.146 4.498 4.340 0.021 0.000 0.265 513 L C 0.898 177.743 176.870 -0.042 0.000 1.232 513 L CA -0.361 54.438 54.840 -0.068 0.000 1.031 513 L CB 0.257 42.276 42.059 -0.067 0.000 1.379 513 L HN 0.259 nan 8.230 nan 0.000 0.563 514 S N -1.190 114.487 115.700 -0.038 0.000 2.593 514 S HA 0.137 4.619 4.470 0.021 0.000 0.269 514 S C 0.700 175.295 174.600 -0.008 0.000 1.334 514 S CA -0.240 57.957 58.200 -0.004 0.000 1.015 514 S CB 0.592 63.806 63.200 0.023 0.000 0.912 514 S HN 0.492 nan 8.310 nan 0.000 0.541 515 N N 0.910 119.632 118.700 0.038 0.000 2.740 515 N HA -0.141 4.611 4.740 0.021 0.000 0.248 515 N C -0.366 175.141 175.510 -0.004 0.000 1.062 515 N CA 0.957 54.017 53.050 0.017 0.000 0.704 515 N CB -1.549 36.919 38.487 -0.032 0.000 0.968 515 N HN 0.662 nan 8.380 nan 0.000 0.547 516 N N 0.002 118.702 118.700 -0.000 0.000 2.184 516 N HA 0.122 4.874 4.740 0.021 0.000 0.206 516 N C -0.348 175.158 175.510 -0.007 0.000 1.151 516 N CA 0.077 53.127 53.050 -0.001 0.000 0.878 516 N CB 0.184 38.672 38.487 0.003 0.000 1.014 516 N HN 0.432 nan 8.380 nan 0.000 0.512 517 N N 0.698 119.390 118.700 -0.013 0.000 2.721 517 N HA -0.177 4.575 4.740 0.021 0.000 0.249 517 N C -0.757 174.725 175.510 -0.046 0.000 1.072 517 N CA 0.235 53.268 53.050 -0.028 0.000 0.710 517 N CB -1.352 37.123 38.487 -0.020 0.000 0.993 517 N HN 0.350 nan 8.380 nan 0.000 0.547 518 I N 0.128 120.664 120.570 -0.057 0.000 2.618 518 I HA 0.097 4.279 4.170 0.021 0.000 0.284 518 I C 1.450 177.507 176.117 -0.100 0.000 1.146 518 I CA 0.295 61.553 61.300 -0.070 0.000 1.425 518 I CB 1.001 38.956 38.000 -0.075 0.000 1.383 518 I HN 0.342 nan 8.210 nan 0.000 0.562 519 A N 4.985 127.754 122.820 -0.086 0.000 2.108 519 A HA 0.174 4.507 4.320 0.021 0.000 0.206 519 A C 0.633 178.164 177.584 -0.088 0.000 1.212 519 A CA 0.266 52.248 52.037 -0.091 0.000 0.843 519 A CB 0.053 19.012 19.000 -0.068 0.000 0.902 519 A HN 0.701 nan 8.150 nan 0.000 0.477 520 N N -0.053 118.601 118.700 -0.077 0.000 2.352 520 N HA 0.587 5.340 4.740 0.021 0.000 0.291 520 N C -1.022 174.444 175.510 -0.072 0.000 1.040 520 N CA -0.454 52.558 53.050 -0.064 0.000 0.864 520 N CB 1.341 39.805 38.487 -0.038 0.000 1.440 520 N HN 0.381 nan 8.380 nan 0.000 0.483 521 I N -0.263 120.257 120.570 -0.084 0.000 2.686 521 I HA 0.647 4.829 4.170 0.021 0.000 0.295 521 I C -0.928 175.182 176.117 -0.011 0.000 1.114 521 I CA -1.022 60.230 61.300 -0.080 0.000 1.038 521 I CB 2.101 39.979 38.000 -0.204 0.000 1.238 521 I HN 0.221 nan 8.210 nan 0.000 0.420 522 N N 3.213 121.930 118.700 0.029 0.000 2.463 522 N HA 0.151 4.904 4.740 0.021 0.000 0.270 522 N C 0.372 175.963 175.510 0.135 0.000 1.205 522 N CA -0.505 52.589 53.050 0.074 0.000 0.974 522 N CB 1.010 39.532 38.487 0.058 0.000 1.197 522 N HN 0.687 nan 8.380 nan 0.000 0.504 523 D N 0.236 120.730 120.400 0.156 0.000 2.133 523 D HA -0.162 4.491 4.640 0.021 0.000 0.195 523 D C 0.588 177.001 176.300 0.190 0.000 0.997 523 D CA 1.301 55.422 54.000 0.201 0.000 0.840 523 D CB -0.023 40.878 40.800 0.168 0.000 0.947 523 D HN 0.626 nan 8.370 nan 0.000 0.452 524 D N -0.300 120.185 120.400 0.141 0.000 2.336 524 D HA -0.061 4.591 4.640 0.021 0.000 0.228 524 D C 1.841 178.223 176.300 0.138 0.000 1.120 524 D CA -0.132 53.944 54.000 0.127 0.000 0.839 524 D CB -0.485 40.370 40.800 0.091 0.000 0.932 524 D HN 0.240 nan 8.370 nan 0.000 0.509 525 M N 0.032 119.730 119.600 0.163 0.000 2.106 525 M HA -0.120 4.372 4.480 0.021 0.000 0.259 525 M C 0.813 177.258 176.300 0.242 0.000 1.068 525 M CA 1.559 56.975 55.300 0.193 0.000 1.100 525 M CB 0.115 32.824 32.600 0.182 0.000 1.351 525 M HN 0.045 nan 8.290 nan 0.000 0.404 526 L N -0.178 121.168 121.223 0.204 0.000 3.017 526 L HA 0.296 4.648 4.340 0.021 0.000 0.255 526 L C 0.133 177.081 176.870 0.131 0.000 1.247 526 L CA -0.444 54.495 54.840 0.164 0.000 1.038 526 L CB -0.078 42.068 42.059 0.145 0.000 1.380 526 L HN 0.204 nan 8.230 nan 0.000 0.548 527 E N 1.001 121.277 120.200 0.127 0.000 2.366 527 E HA 0.251 4.613 4.350 0.021 0.000 0.266 527 E C 1.173 177.822 176.600 0.082 0.000 1.015 527 E CA 0.828 57.287 56.400 0.098 0.000 0.906 527 E CB 0.611 30.365 29.700 0.090 0.000 0.979 527 E HN 0.385 nan 8.360 nan 0.000 0.443 528 G N 4.054 112.895 108.800 0.069 0.000 2.176 528 G HA2 -0.257 3.716 3.960 0.021 0.000 0.253 528 G HA3 -0.257 3.716 3.960 0.021 0.000 0.253 528 G C 0.345 175.275 174.900 0.050 0.000 0.979 528 G CA 0.218 45.352 45.100 0.057 0.000 0.641 528 G HN 0.539 nan 8.290 nan 0.000 0.530 529 L N 0.831 122.086 121.223 0.053 0.000 2.536 529 L HA 0.389 4.741 4.340 0.021 0.000 0.242 529 L C 1.441 178.334 176.870 0.037 0.000 1.280 529 L CA -0.394 54.464 54.840 0.031 0.000 1.221 529 L CB 0.428 42.497 42.059 0.017 0.000 1.449 529 L HN 0.066 nan 8.230 nan 0.000 0.405 530 E N 0.519 120.749 120.200 0.050 0.000 2.338 530 E HA -0.127 4.236 4.350 0.021 0.000 0.197 530 E C 1.336 177.998 176.600 0.102 0.000 1.007 530 E CA 0.999 57.456 56.400 0.094 0.000 0.849 530 E CB 0.159 29.922 29.700 0.105 0.000 0.774 530 E HN 0.413 nan 8.360 nan 0.000 0.506 531 K N -0.087 120.314 120.400 0.002 0.000 2.374 531 K HA 0.108 4.440 4.320 0.021 0.000 0.196 531 K C -0.099 176.457 176.600 -0.074 0.000 1.023 531 K CA -0.340 55.900 56.287 -0.078 0.000 1.103 531 K CB 0.338 32.772 32.500 -0.109 0.000 0.848 531 K HN 0.036 nan 8.250 nan 0.000 0.528 532 L N 2.071 123.267 121.223 -0.046 0.000 2.534 532 L HA -0.059 4.293 4.340 0.021 0.000 0.271 532 L C 0.743 177.559 176.870 -0.091 0.000 1.178 532 L CA 1.016 55.812 54.840 -0.072 0.000 0.907 532 L CB 0.409 42.434 42.059 -0.057 0.000 1.164 532 L HN 0.123 nan 8.230 nan 0.000 0.482 533 E N 4.541 124.669 120.200 -0.120 0.000 2.330 533 E HA 0.262 4.624 4.350 0.021 0.000 0.200 533 E C -0.320 176.239 176.600 -0.068 0.000 0.922 533 E CA 0.259 56.558 56.400 -0.168 0.000 0.935 533 E CB 0.583 30.194 29.700 -0.149 0.000 0.917 533 E HN 0.517 nan 8.360 nan 0.000 0.491 534 I N 1.998 122.537 120.570 -0.053 0.000 2.466 534 I HA 0.298 4.481 4.170 0.021 0.000 0.289 534 I C -1.369 174.719 176.117 -0.048 0.000 1.026 534 I CA -0.980 60.305 61.300 -0.026 0.000 1.078 534 I CB 2.128 40.115 38.000 -0.021 0.000 1.249 534 I HN -0.044 nan 8.210 nan 0.000 0.429 535 L N 6.564 127.777 121.223 -0.015 0.000 2.404 535 L HA 0.544 4.896 4.340 0.021 0.000 0.272 535 L C -1.455 175.421 176.870 0.009 0.000 0.980 535 L CA -0.122 54.707 54.840 -0.018 0.000 0.836 535 L CB 1.442 43.514 42.059 0.023 0.000 1.238 535 L HN 0.382 nan 8.230 nan 0.000 0.408 536 D N 6.419 126.809 120.400 -0.018 0.000 2.349 536 D HA 0.394 5.046 4.640 0.021 0.000 0.232 536 D C 0.339 176.637 176.300 -0.003 0.000 1.071 536 D CA 0.084 54.085 54.000 0.003 0.000 0.832 536 D CB 2.302 43.098 40.800 -0.007 0.000 1.086 536 D HN 0.567 nan 8.370 nan 0.000 0.504 537 L N 1.724 122.962 121.223 0.024 0.000 3.333 537 L HA 0.029 4.381 4.340 0.021 0.000 0.299 537 L C 0.824 177.694 176.870 -0.000 0.000 1.256 537 L CA -0.360 54.483 54.840 0.005 0.000 1.037 537 L CB 0.456 42.530 42.059 0.024 0.000 1.423 537 L HN 0.305 nan 8.230 nan 0.000 0.605 538 Q N -0.129 119.680 119.800 0.016 0.000 2.454 538 Q HA -0.020 4.332 4.340 0.021 0.000 0.247 538 Q C -0.275 175.742 176.000 0.027 0.000 1.028 538 Q CA 0.289 56.079 55.803 -0.021 0.000 0.910 538 Q CB 0.301 29.030 28.738 -0.016 0.000 1.276 538 Q HN 0.289 nan 8.270 nan 0.000 0.489 539 H N 0.280 119.324 119.070 -0.042 0.000 2.756 539 H HA -0.120 4.450 4.556 0.023 0.000 0.315 539 H C -0.763 174.519 175.328 -0.076 0.000 1.210 539 H CA 0.869 56.885 56.048 -0.053 0.000 1.150 539 H CB -1.344 28.402 29.762 -0.026 0.000 1.463 539 H HN 0.648 nan 8.280 nan 0.000 0.427 540 N N 0.519 119.187 118.700 -0.054 0.000 3.002 540 N HA 0.267 5.019 4.740 0.021 0.000 0.331 540 N C 0.461 175.874 175.510 -0.162 0.000 1.384 540 N CA -0.706 52.287 53.050 -0.095 0.000 0.780 540 N CB 0.767 39.182 38.487 -0.121 0.000 1.492 540 N HN 0.155 nan 8.380 nan 0.000 0.608 541 N N 1.219 119.814 118.700 -0.175 0.000 2.644 541 N HA 0.265 5.017 4.740 0.021 0.000 0.313 541 N C 0.319 175.685 175.510 -0.240 0.000 1.863 541 N CA 0.098 53.028 53.050 -0.199 0.000 0.918 541 N CB 0.597 39.008 38.487 -0.126 0.000 1.320 541 N HN 0.349 nan 8.380 nan 0.000 0.490 542 L N -0.083 120.924 121.223 -0.361 0.000 2.599 542 L HA 0.161 4.513 4.340 0.021 0.000 0.230 542 L C 2.318 179.019 176.870 -0.283 0.000 1.141 542 L CA 0.086 54.726 54.840 -0.333 0.000 0.877 542 L CB -0.201 41.649 42.059 -0.347 0.000 1.009 542 L HN 0.184 nan 8.230 nan 0.000 0.447 543 A N 1.168 123.756 122.820 -0.387 0.000 1.909 543 A HA -0.332 4.000 4.320 0.021 0.000 0.221 543 A C 2.479 180.118 177.584 0.092 0.000 1.223 543 A CA 2.451 54.403 52.037 -0.141 0.000 0.658 543 A CB -0.661 18.252 19.000 -0.146 0.000 0.831 543 A HN 0.455 nan 8.150 nan 0.000 0.462 544 R N -0.313 120.199 120.500 0.020 0.000 2.105 544 R HA -0.102 4.250 4.340 0.021 0.000 0.239 544 R C 1.964 178.320 176.300 0.093 0.000 1.135 544 R CA 1.633 57.758 56.100 0.041 0.000 0.967 544 R CB -0.454 29.845 30.300 -0.001 0.000 0.861 544 R HN 0.593 nan 8.270 nan 0.000 0.442 545 L N -1.016 120.272 121.223 0.108 0.000 2.265 545 L HA -0.164 4.188 4.340 0.021 0.000 0.215 545 L C 1.267 178.353 176.870 0.359 0.000 1.117 545 L CA 0.702 55.647 54.840 0.174 0.000 0.782 545 L CB -0.306 41.834 42.059 0.134 0.000 0.914 545 L HN 0.327 nan 8.230 nan 0.000 0.441 546 W N 0.426 121.781 121.300 0.092 0.000 3.132 546 W HA 0.206 4.868 4.660 0.004 0.000 0.364 546 W C 0.622 177.121 176.519 -0.033 0.000 1.129 546 W CA -1.103 56.227 57.345 -0.025 0.000 1.815 546 W CB -0.074 29.352 29.460 -0.057 0.000 1.099 546 W HN -0.101 nan 8.180 nan 0.000 0.605 547 K N 1.085 121.592 120.400 0.178 0.000 2.174 547 K HA 0.052 4.385 4.320 0.021 0.000 0.275 547 K C 1.548 178.151 176.600 0.006 0.000 1.015 547 K CA -0.379 55.947 56.287 0.065 0.000 0.933 547 K CB 0.900 33.401 32.500 0.002 0.000 1.025 547 K HN 0.095 nan 8.250 nan 0.000 0.463 548 H N 1.256 120.325 119.070 -0.001 0.000 2.457 548 H HA -0.101 4.470 4.556 0.025 0.000 0.297 548 H C 0.959 176.285 175.328 -0.002 0.000 1.092 548 H CA 1.512 57.549 56.048 -0.017 0.000 1.309 548 H CB 0.096 29.840 29.762 -0.030 0.000 1.382 548 H HN 0.600 nan 8.280 nan 0.000 0.535 549 A N 1.021 123.635 122.820 -0.343 0.000 2.278 549 A HA -0.022 4.310 4.320 0.021 0.000 0.212 549 A C 0.846 178.382 177.584 -0.080 0.000 1.213 549 A CA -0.033 51.889 52.037 -0.190 0.000 0.840 549 A CB -0.767 18.072 19.000 -0.270 0.000 0.866 549 A HN 0.448 nan 8.150 nan 0.000 0.489 550 N N 1.610 120.282 118.700 -0.047 0.000 2.440 550 N HA 0.179 4.932 4.740 0.021 0.000 0.265 550 N C -2.893 172.620 175.510 0.005 0.000 1.239 550 N CA -1.255 51.790 53.050 -0.009 0.000 0.909 550 N CB 0.276 38.775 38.487 0.021 0.000 1.066 550 N HN -0.006 nan 8.380 nan 0.000 0.474 551 P HA 0.111 nan 4.420 nan 0.000 0.261 551 P C 0.492 177.805 177.300 0.022 0.000 1.203 551 P CA 0.662 63.769 63.100 0.010 0.000 0.767 551 P CB 0.426 32.129 31.700 0.005 0.000 0.785 552 G N 2.436 111.252 108.800 0.026 0.000 2.176 552 G HA2 0.107 4.080 3.960 0.021 0.000 0.232 552 G HA3 0.107 4.080 3.960 0.021 0.000 0.232 552 G C 0.446 175.376 174.900 0.050 0.000 0.986 552 G CA 0.020 45.142 45.100 0.036 0.000 0.643 552 G HN 1.014 nan 8.290 nan 0.000 0.522 553 G N -1.040 107.788 108.800 0.046 0.000 2.712 553 G HA2 0.294 4.266 3.960 0.021 0.000 0.683 553 G HA3 0.294 4.266 3.960 0.021 0.000 0.683 553 G C -2.317 172.607 174.900 0.039 0.000 1.320 553 G CA -0.030 45.104 45.100 0.057 0.000 0.847 553 G HN 0.819 nan 8.290 nan 0.000 0.553 554 P HA 0.402 nan 4.420 nan 0.000 0.272 554 P C 0.214 177.391 177.300 -0.204 0.000 1.223 554 P CA -0.439 62.579 63.100 -0.137 0.000 0.784 554 P CB 0.471 31.958 31.700 -0.356 0.000 0.923 555 I N 3.127 123.664 120.570 -0.057 0.000 2.301 555 I HA 0.101 4.283 4.170 0.021 0.000 0.292 555 I C 0.005 176.129 176.117 0.011 0.000 1.046 555 I CA -0.440 60.918 61.300 0.097 0.000 1.282 555 I CB -0.367 37.810 38.000 0.294 0.000 1.409 555 I HN 0.386 nan 8.210 nan 0.000 0.484 556 Y N 6.481 126.857 120.300 0.127 0.000 2.767 556 Y HA 0.073 4.642 4.550 0.031 0.000 0.354 556 Y C 1.345 177.280 175.900 0.058 0.000 1.292 556 Y CA -0.647 57.438 58.100 -0.024 0.000 1.749 556 Y CB -0.579 37.829 38.460 -0.088 0.000 1.841 556 Y HN 0.505 nan 8.280 nan 0.000 0.454 557 F N -2.105 117.982 119.950 0.228 0.000 2.699 557 F HA 0.073 4.606 4.527 0.010 0.000 0.298 557 F C 0.560 176.467 175.800 0.179 0.000 1.154 557 F CA 0.656 58.769 58.000 0.189 0.000 1.457 557 F CB -0.511 38.586 39.000 0.162 0.000 1.106 557 F HN 0.144 nan 8.300 nan 0.000 0.585 558 L N 0.676 121.888 121.223 -0.019 0.000 2.700 558 L HA 0.194 4.547 4.340 0.021 0.000 0.234 558 L C 0.895 177.803 176.870 0.062 0.000 1.156 558 L CA -0.195 54.673 54.840 0.048 0.000 0.946 558 L CB -0.330 41.727 42.059 -0.005 0.000 1.216 558 L HN 0.016 nan 8.230 nan 0.000 0.493 559 K N 1.088 121.534 120.400 0.078 0.000 2.416 559 K HA 0.186 4.518 4.320 0.021 0.000 0.283 559 K C 1.170 177.809 176.600 0.065 0.000 1.037 559 K CA 0.922 57.242 56.287 0.055 0.000 0.995 559 K CB 0.464 33.001 32.500 0.062 0.000 0.938 559 K HN 0.225 nan 8.250 nan 0.000 0.475 560 G N 3.513 112.344 108.800 0.051 0.000 2.162 560 G HA2 -0.256 3.716 3.960 0.021 0.000 0.260 560 G HA3 -0.256 3.716 3.960 0.021 0.000 0.260 560 G C 0.184 175.127 174.900 0.071 0.000 0.976 560 G CA 0.262 45.400 45.100 0.063 0.000 0.655 560 G HN 0.611 nan 8.290 nan 0.000 0.533 561 L N 2.514 123.777 121.223 0.068 0.000 2.437 561 L HA 0.220 4.572 4.340 0.021 0.000 0.243 561 L C 2.077 178.977 176.870 0.051 0.000 1.346 561 L CA 0.278 55.157 54.840 0.066 0.000 1.233 561 L CB 0.029 42.130 42.059 0.069 0.000 1.436 561 L HN 0.355 nan 8.230 nan 0.000 0.416 562 S N -1.732 113.997 115.700 0.049 0.000 2.442 562 S HA -0.191 4.291 4.470 0.021 0.000 0.236 562 S C 1.203 175.685 174.600 -0.196 0.000 1.007 562 S CA 0.927 59.113 58.200 -0.024 0.000 0.965 562 S CB -0.352 62.819 63.200 -0.049 0.000 0.773 562 S HN 0.644 nan 8.310 nan 0.000 0.504 563 H N -0.321 118.746 119.070 -0.004 0.000 2.592 563 H HA 0.481 5.049 4.556 0.020 0.000 0.279 563 H C -0.317 174.826 175.328 -0.308 0.000 1.089 563 H CA -0.666 55.318 56.048 -0.107 0.000 1.150 563 H CB 0.179 29.873 29.762 -0.113 0.000 1.575 563 H HN 0.198 nan 8.280 nan 0.000 0.547 564 L N 1.299 122.476 121.223 -0.076 0.000 2.477 564 L HA 0.027 4.379 4.340 0.021 0.000 0.272 564 L C 0.502 177.367 176.870 -0.008 0.000 1.157 564 L CA 0.900 55.694 54.840 -0.078 0.000 0.889 564 L CB 0.265 42.331 42.059 0.012 0.000 1.158 564 L HN 0.402 nan 8.230 nan 0.000 0.473 565 H N 4.372 123.473 119.070 0.050 0.000 2.545 565 H HA 0.368 4.936 4.556 0.020 0.000 0.283 565 H C -0.298 175.044 175.328 0.023 0.000 0.997 565 H CA -0.195 55.876 56.048 0.038 0.000 1.269 565 H CB 0.696 30.485 29.762 0.044 0.000 1.451 565 H HN 0.388 nan 8.280 nan 0.000 0.508 566 I N 1.976 122.628 120.570 0.136 0.000 2.466 566 I HA 0.215 4.397 4.170 0.021 0.000 0.289 566 I C -1.570 174.583 176.117 0.059 0.000 1.026 566 I CA -0.903 60.446 61.300 0.082 0.000 1.078 566 I CB 2.929 40.974 38.000 0.075 0.000 1.249 566 I HN -0.010 nan 8.210 nan 0.000 0.429 567 L N 7.207 128.462 121.223 0.055 0.000 2.404 567 L HA 0.538 4.890 4.340 0.021 0.000 0.272 567 L C -1.101 175.816 176.870 0.079 0.000 0.980 567 L CA -0.145 54.738 54.840 0.071 0.000 0.836 567 L CB 1.468 43.573 42.059 0.077 0.000 1.238 567 L HN 0.468 nan 8.230 nan 0.000 0.408 568 N N 5.323 124.075 118.700 0.086 0.000 2.446 568 N HA 0.415 5.168 4.740 0.021 0.000 0.265 568 N C -0.607 174.971 175.510 0.113 0.000 0.975 568 N CA -0.204 52.898 53.050 0.087 0.000 0.928 568 N CB 1.236 39.761 38.487 0.063 0.000 1.160 568 N HN 0.802 nan 8.380 nan 0.000 0.495 569 L N 1.958 123.269 121.223 0.147 0.000 3.267 569 L HA 0.305 4.657 4.340 0.021 0.000 0.289 569 L C 0.534 177.505 176.870 0.169 0.000 1.260 569 L CA -0.201 54.766 54.840 0.211 0.000 1.034 569 L CB 0.296 42.565 42.059 0.350 0.000 1.413 569 L HN 0.390 nan 8.230 nan 0.000 0.594 570 E N 0.291 120.527 120.200 0.060 0.000 2.422 570 E HA 0.057 4.419 4.350 0.021 0.000 0.260 570 E C 0.418 176.915 176.600 -0.172 0.000 1.108 570 E CA 0.078 56.462 56.400 -0.027 0.000 0.943 570 E CB 0.492 30.150 29.700 -0.070 0.000 0.961 570 E HN 0.150 nan 8.360 nan 0.000 0.443 571 S N 1.887 117.467 115.700 -0.201 0.000 3.447 571 S HA -0.179 4.303 4.470 0.021 0.000 0.371 571 S C 0.219 174.659 174.600 -0.266 0.000 0.951 571 S CA 0.363 58.400 58.200 -0.273 0.000 1.269 571 S CB -1.111 61.767 63.200 -0.538 0.000 0.919 571 S HN 0.569 nan 8.310 nan 0.000 0.516 572 N N -0.155 118.353 118.700 -0.321 0.000 2.159 572 N HA 0.225 4.977 4.740 0.021 0.000 0.217 572 N C 1.173 176.348 175.510 -0.558 0.000 1.223 572 N CA 0.596 53.319 53.050 -0.546 0.000 0.896 572 N CB 0.956 38.843 38.487 -1.001 0.000 1.064 572 N HN 0.872 nan 8.380 nan 0.000 0.518 573 G N 1.571 110.179 108.800 -0.321 0.000 2.176 573 G HA2 -0.273 3.699 3.960 0.021 0.000 0.252 573 G HA3 -0.273 3.699 3.960 0.021 0.000 0.252 573 G C -0.200 174.638 174.900 -0.104 0.000 1.024 573 G CA -0.200 44.795 45.100 -0.176 0.000 0.755 573 G HN 0.181 nan 8.290 nan 0.000 0.507 574 F N 1.152 121.112 119.950 0.017 0.000 2.529 574 F HA 0.388 4.918 4.527 0.005 0.000 0.365 574 F C 1.410 177.257 175.800 0.077 0.000 1.102 574 F CA -0.095 57.944 58.000 0.066 0.000 1.271 574 F CB 0.977 40.053 39.000 0.127 0.000 1.120 574 F HN 0.266 nan 8.300 nan 0.000 0.579 575 D N -0.214 120.363 120.400 0.296 0.000 2.525 575 D HA 0.102 4.755 4.640 0.021 0.000 0.231 575 D C -0.194 176.197 176.300 0.152 0.000 1.216 575 D CA 0.095 54.202 54.000 0.179 0.000 0.813 575 D CB 0.043 40.912 40.800 0.114 0.000 1.108 575 D HN 0.556 nan 8.370 nan 0.000 0.524 576 E N 0.072 120.383 120.200 0.186 0.000 2.343 576 E HA 0.573 4.935 4.350 0.021 0.000 0.278 576 E C -1.057 175.579 176.600 0.059 0.000 0.910 576 E CA -0.673 55.791 56.400 0.107 0.000 0.757 576 E CB 2.822 32.596 29.700 0.123 0.000 1.218 576 E HN -0.002 nan 8.360 nan 0.000 0.435 577 I N 3.083 123.581 120.570 -0.121 0.000 2.500 577 I HA 0.293 4.475 4.170 0.021 0.000 0.286 577 I C -2.507 173.302 176.117 -0.513 0.000 1.063 577 I CA -2.187 58.875 61.300 -0.397 0.000 1.062 577 I CB 2.055 39.807 38.000 -0.413 0.000 1.223 577 I HN 0.182 nan 8.210 nan 0.000 0.435 578 P HA 0.043 nan 4.420 nan 0.000 0.271 578 P C 0.859 177.838 177.300 -0.536 0.000 1.216 578 P CA -0.152 62.636 63.100 -0.521 0.000 0.771 578 P CB 1.249 32.588 31.700 -0.601 0.000 0.864 579 V N 2.671 122.368 119.914 -0.361 0.000 2.546 579 V HA -0.206 3.926 4.120 0.021 0.000 0.254 579 V C 1.369 177.256 176.094 -0.345 0.000 1.076 579 V CA 2.009 64.100 62.300 -0.348 0.000 1.087 579 V CB -0.583 31.088 31.823 -0.253 0.000 0.674 579 V HN 0.515 nan 8.190 nan 0.000 0.470 580 E N -0.351 119.685 120.200 -0.274 0.000 2.476 580 E HA 0.068 4.430 4.350 0.021 0.000 0.196 580 E C 1.891 178.324 176.600 -0.278 0.000 1.029 580 E CA 0.896 57.141 56.400 -0.259 0.000 0.896 580 E CB 0.447 29.973 29.700 -0.290 0.000 1.012 580 E HN 0.703 nan 8.360 nan 0.000 0.475 581 V N -1.836 117.770 119.914 -0.514 0.000 2.515 581 V HA -0.139 3.994 4.120 0.021 0.000 0.250 581 V C 1.451 177.198 176.094 -0.579 0.000 1.058 581 V CA 1.311 63.184 62.300 -0.711 0.000 1.064 581 V CB -0.799 30.119 31.823 -1.508 0.000 0.675 581 V HN 0.007 nan 8.190 nan 0.000 0.461 582 F N 0.247 120.021 119.950 -0.293 0.000 2.641 582 F HA 0.437 4.975 4.527 0.018 0.000 0.302 582 F C 1.957 177.604 175.800 -0.255 0.000 1.098 582 F CA -0.742 57.127 58.000 -0.219 0.000 1.318 582 F CB -0.521 38.384 39.000 -0.159 0.000 1.035 582 F HN 0.080 nan 8.300 nan 0.000 0.551 583 K N 0.738 121.049 120.400 -0.149 0.000 2.059 583 K HA -0.205 4.128 4.320 0.021 0.000 0.212 583 K C 0.681 177.059 176.600 -0.369 0.000 1.050 583 K CA 2.038 58.187 56.287 -0.231 0.000 0.927 583 K CB -0.030 32.353 32.500 -0.194 0.000 0.714 583 K HN 0.126 nan 8.250 nan 0.000 0.447 584 D N 0.301 120.556 120.400 -0.242 0.000 2.328 584 D HA 0.035 4.687 4.640 0.021 0.000 0.221 584 D C 0.128 176.295 176.300 -0.223 0.000 1.072 584 D CA 0.299 54.183 54.000 -0.193 0.000 0.850 584 D CB 0.261 41.059 40.800 -0.003 0.000 0.922 584 D HN 0.227 nan 8.370 nan 0.000 0.516 585 L N 0.915 121.966 121.223 -0.287 0.000 2.796 585 L HA 0.244 4.596 4.340 0.021 0.000 0.235 585 L C 0.791 177.561 176.870 -0.167 0.000 1.344 585 L CA -0.408 54.349 54.840 -0.139 0.000 1.245 585 L CB -0.569 41.471 42.059 -0.032 0.000 1.556 585 L HN -0.180 nan 8.230 nan 0.000 0.423 586 F N 0.099 120.054 119.950 0.009 0.000 2.269 586 F HA -0.137 4.405 4.527 0.024 0.000 0.301 586 F C 2.110 177.920 175.800 0.016 0.000 1.082 586 F CA 1.138 59.141 58.000 0.005 0.000 1.360 586 F CB -0.085 38.905 39.000 -0.017 0.000 1.041 586 F HN 0.357 nan 8.300 nan 0.000 0.512 587 E N -0.094 120.218 120.200 0.187 0.000 2.474 587 E HA 0.050 4.412 4.350 0.021 0.000 0.195 587 E C 0.164 176.885 176.600 0.203 0.000 1.039 587 E CA -0.322 56.191 56.400 0.187 0.000 0.881 587 E CB 0.171 30.004 29.700 0.221 0.000 0.970 587 E HN 0.104 nan 8.360 nan 0.000 0.486 588 L N 1.836 123.131 121.223 0.120 0.000 2.534 588 L HA -0.067 4.285 4.340 0.021 0.000 0.271 588 L C 0.841 177.743 176.870 0.054 0.000 1.178 588 L CA 0.914 55.805 54.840 0.084 0.000 0.907 588 L CB 0.442 42.502 42.059 0.002 0.000 1.164 588 L HN -0.131 nan 8.230 nan 0.000 0.482 589 K N 4.975 125.412 120.400 0.061 0.000 2.287 589 K HA 0.333 4.665 4.320 0.021 0.000 0.199 589 K C -0.204 176.402 176.600 0.011 0.000 1.061 589 K CA 0.431 56.731 56.287 0.021 0.000 0.976 589 K CB 0.502 32.999 32.500 -0.004 0.000 0.898 589 K HN 0.456 nan 8.250 nan 0.000 0.492 590 I N 1.675 122.257 120.570 0.021 0.000 2.466 590 I HA 0.363 4.546 4.170 0.021 0.000 0.289 590 I C -1.172 174.943 176.117 -0.002 0.000 1.026 590 I CA -0.786 60.522 61.300 0.013 0.000 1.078 590 I CB 2.306 40.325 38.000 0.032 0.000 1.249 590 I HN -0.010 nan 8.210 nan 0.000 0.429 591 I N 5.372 125.927 120.570 -0.025 0.000 2.466 591 I HA 0.400 4.582 4.170 0.021 0.000 0.289 591 I C -1.523 174.603 176.117 0.016 0.000 1.026 591 I CA -0.231 61.047 61.300 -0.036 0.000 1.078 591 I CB 1.717 39.630 38.000 -0.146 0.000 1.249 591 I HN 0.488 nan 8.210 nan 0.000 0.429 592 D N 7.564 127.996 120.400 0.053 0.000 2.453 592 D HA 0.357 5.009 4.640 0.021 0.000 0.238 592 D C -0.212 176.160 176.300 0.121 0.000 1.088 592 D CA -0.057 53.992 54.000 0.081 0.000 0.854 592 D CB 1.551 42.394 40.800 0.073 0.000 1.076 592 D HN 0.549 nan 8.370 nan 0.000 0.533 593 L N 2.582 123.892 121.223 0.145 0.000 3.122 593 L HA 0.374 4.726 4.340 0.021 0.000 0.274 593 L C 1.303 178.278 176.870 0.176 0.000 1.222 593 L CA -0.423 54.539 54.840 0.203 0.000 1.028 593 L CB 0.990 43.203 42.059 0.257 0.000 1.386 593 L HN 0.338 nan 8.230 nan 0.000 0.578 594 G N -0.463 108.413 108.800 0.127 0.000 2.667 594 G HA2 0.276 4.249 3.960 0.021 0.000 0.250 594 G HA3 0.276 4.249 3.960 0.021 0.000 0.250 594 G C 0.686 175.627 174.900 0.068 0.000 1.212 594 G CA -0.357 44.803 45.100 0.100 0.000 0.874 594 G HN 0.155 nan 8.290 nan 0.000 0.561 595 L N -0.158 121.095 121.223 0.050 0.000 3.634 595 L HA -0.146 4.207 4.340 0.021 0.000 0.423 595 L C 0.308 177.186 176.870 0.013 0.000 1.253 595 L CA 0.778 55.626 54.840 0.013 0.000 0.885 595 L CB -2.219 39.824 42.059 -0.027 0.000 1.789 595 L HN 0.666 nan 8.230 nan 0.000 0.904 596 N N 0.208 118.944 118.700 0.061 0.000 3.002 596 N HA 0.422 5.174 4.740 0.021 0.000 0.331 596 N C 0.530 176.088 175.510 0.079 0.000 1.384 596 N CA -0.686 52.415 53.050 0.085 0.000 0.780 596 N CB 0.833 39.442 38.487 0.203 0.000 1.492 596 N HN 0.092 nan 8.380 nan 0.000 0.608 597 N N 0.713 119.471 118.700 0.098 0.000 2.467 597 N HA 0.287 5.040 4.740 0.021 0.000 0.278 597 N C -0.601 174.968 175.510 0.099 0.000 1.306 597 N CA -0.030 53.066 53.050 0.077 0.000 0.905 597 N CB 0.556 39.076 38.487 0.055 0.000 1.236 597 N HN 0.337 nan 8.380 nan 0.000 0.509 598 L N 0.248 121.545 121.223 0.123 0.000 2.397 598 L HA 0.222 4.574 4.340 0.021 0.000 0.271 598 L C 1.282 178.206 176.870 0.091 0.000 1.148 598 L CA -0.061 54.854 54.840 0.125 0.000 0.825 598 L CB 0.705 42.862 42.059 0.163 0.000 1.117 598 L HN 0.103 nan 8.230 nan 0.000 0.456 599 N N -0.278 118.470 118.700 0.080 0.000 3.481 599 N HA 0.050 4.802 4.740 0.021 0.000 0.239 599 N C -0.234 175.315 175.510 0.065 0.000 1.127 599 N CA 0.087 53.176 53.050 0.066 0.000 1.180 599 N CB 0.695 39.211 38.487 0.049 0.000 1.225 599 N HN 0.496 nan 8.380 nan 0.000 0.857 600 T N 2.195 116.772 114.554 0.040 0.000 2.761 600 T HA 0.463 4.825 4.350 0.021 0.000 0.296 600 T C -0.387 174.296 174.700 -0.027 0.000 0.934 600 T CA -0.075 62.031 62.100 0.010 0.000 1.091 600 T CB 0.210 69.076 68.868 -0.003 0.000 0.896 600 T HN 0.116 nan 8.240 nan 0.000 0.515 601 L N 6.407 127.592 121.223 -0.064 0.000 2.333 601 L HA 0.460 4.812 4.340 0.021 0.000 0.280 601 L C -1.785 174.958 176.870 -0.211 0.000 1.004 601 L CA -2.312 52.431 54.840 -0.162 0.000 0.820 601 L CB 1.736 43.666 42.059 -0.215 0.000 1.247 601 L HN 0.414 nan 8.230 nan 0.000 0.416 602 P HA 0.124 nan 4.420 nan 0.000 0.272 602 P C -0.571 176.567 177.300 -0.270 0.000 1.223 602 P CA -0.448 62.511 63.100 -0.235 0.000 0.784 602 P CB 0.995 32.551 31.700 -0.240 0.000 0.923 603 A N 2.529 125.217 122.820 -0.219 0.000 2.520 603 A HA 0.333 4.666 4.320 0.021 0.000 0.245 603 A C 1.094 178.545 177.584 -0.222 0.000 1.072 603 A CA 0.723 52.631 52.037 -0.215 0.000 0.761 603 A CB -0.915 17.984 19.000 -0.167 0.000 1.004 603 A HN 1.046 nan 8.150 nan 0.000 0.499 604 S N 0.116 115.680 115.700 -0.227 0.000 3.593 604 S HA -0.187 4.295 4.470 0.021 0.000 0.301 604 S C 0.688 175.142 174.600 -0.242 0.000 1.209 604 S CA 0.852 58.934 58.200 -0.196 0.000 0.878 604 S CB -2.497 60.613 63.200 -0.149 0.000 1.000 604 S HN 1.987 nan 8.310 nan 0.000 0.578 605 V N -0.397 119.295 119.914 -0.370 0.000 2.667 605 V HA 0.227 4.360 4.120 0.021 0.000 0.252 605 V C 1.294 177.107 176.094 -0.468 0.000 1.065 605 V CA 1.931 63.921 62.300 -0.516 0.000 1.083 605 V CB -0.466 30.903 31.823 -0.755 0.000 0.692 605 V HN 0.712 nan 8.190 nan 0.000 0.468 606 F N 0.039 119.903 119.950 -0.142 0.000 2.708 606 F HA 0.371 4.910 4.527 0.020 0.000 0.300 606 F C 1.494 177.230 175.800 -0.107 0.000 1.118 606 F CA -0.356 57.575 58.000 -0.115 0.000 1.307 606 F CB -0.903 37.995 39.000 -0.170 0.000 0.986 606 F HN 0.129 nan 8.300 nan 0.000 0.522 607 N N 0.536 119.247 118.700 0.019 0.000 2.289 607 N HA -0.148 4.604 4.740 0.021 0.000 0.184 607 N C 1.219 176.736 175.510 0.013 0.000 1.016 607 N CA 1.066 54.116 53.050 -0.001 0.000 0.872 607 N CB -0.085 38.377 38.487 -0.042 0.000 0.973 607 N HN 0.037 nan 8.380 nan 0.000 0.433 608 N N -0.082 118.595 118.700 -0.038 0.000 2.270 608 N HA 0.048 4.801 4.740 0.021 0.000 0.198 608 N C -0.441 175.020 175.510 -0.082 0.000 1.117 608 N CA 0.162 53.149 53.050 -0.105 0.000 0.845 608 N CB 0.549 38.764 38.487 -0.452 0.000 0.980 608 N HN 0.166 nan 8.380 nan 0.000 0.486 609 Q N 0.547 120.348 119.800 0.002 0.000 3.247 609 Q HA 0.095 4.447 4.340 0.021 0.000 0.326 609 Q C 1.241 177.272 176.000 0.051 0.000 1.402 609 Q CA -0.185 55.627 55.803 0.016 0.000 0.994 609 Q CB -0.008 28.737 28.738 0.012 0.000 1.647 609 Q HN 0.163 nan 8.270 nan 0.000 0.523 610 V N -3.256 116.714 119.914 0.093 0.000 3.380 610 V HA 0.001 4.133 4.120 0.021 0.000 0.268 610 V C 0.941 177.086 176.094 0.084 0.000 1.168 610 V CA 1.175 63.537 62.300 0.103 0.000 1.156 610 V CB 0.191 32.095 31.823 0.135 0.000 0.785 610 V HN 0.320 nan 8.190 nan 0.000 0.487 611 S N -0.004 115.740 115.700 0.074 0.000 2.559 611 S HA 0.430 4.912 4.470 0.021 0.000 0.226 611 S C 0.305 174.926 174.600 0.034 0.000 1.000 611 S CA -0.433 57.800 58.200 0.055 0.000 0.948 611 S CB 0.180 63.419 63.200 0.064 0.000 0.870 611 S HN 0.429 nan 8.310 nan 0.000 0.497 612 L N 3.112 124.350 121.223 0.026 0.000 2.534 612 L HA 0.116 4.468 4.340 0.021 0.000 0.271 612 L C 1.000 177.884 176.870 0.023 0.000 1.178 612 L CA 0.957 55.800 54.840 0.004 0.000 0.907 612 L CB 0.336 42.374 42.059 -0.036 0.000 1.164 612 L HN -0.026 nan 8.230 nan 0.000 0.482 613 K N 1.657 122.067 120.400 0.016 0.000 2.425 613 K HA 0.223 4.556 4.320 0.021 0.000 0.201 613 K C -0.000 176.616 176.600 0.028 0.000 1.128 613 K CA 0.088 56.390 56.287 0.026 0.000 1.000 613 K CB 0.944 33.453 32.500 0.016 0.000 0.961 613 K HN 0.524 nan 8.250 nan 0.000 0.555 614 S N 1.118 116.828 115.700 0.017 0.000 2.619 614 S HA 0.482 4.964 4.470 0.021 0.000 0.280 614 S C -2.024 172.583 174.600 0.011 0.000 1.150 614 S CA -0.745 57.470 58.200 0.024 0.000 0.978 614 S CB 0.882 64.099 63.200 0.028 0.000 1.041 614 S HN 0.132 nan 8.310 nan 0.000 0.485 615 L N 5.352 126.593 121.223 0.030 0.000 2.376 615 L HA 0.696 5.048 4.340 0.021 0.000 0.275 615 L C -1.061 175.856 176.870 0.079 0.000 0.987 615 L CA -0.219 54.638 54.840 0.029 0.000 0.828 615 L CB 1.743 43.822 42.059 0.033 0.000 1.249 615 L HN 0.690 nan 8.230 nan 0.000 0.409 616 N N 5.532 124.282 118.700 0.083 0.000 2.399 616 N HA 0.433 5.186 4.740 0.021 0.000 0.280 616 N C -1.003 174.586 175.510 0.131 0.000 1.008 616 N CA -0.231 52.883 53.050 0.107 0.000 0.894 616 N CB 1.651 40.193 38.487 0.092 0.000 1.273 616 N HN 0.823 nan 8.380 nan 0.000 0.486 617 L N 2.955 124.265 121.223 0.146 0.000 3.393 617 L HA 0.151 4.503 4.340 0.021 0.000 0.319 617 L C 0.531 177.471 176.870 0.116 0.000 1.309 617 L CA -0.317 54.618 54.840 0.159 0.000 0.962 617 L CB 0.439 42.627 42.059 0.215 0.000 1.391 617 L HN 0.576 nan 8.230 nan 0.000 0.607 618 Q N 0.577 120.438 119.800 0.103 0.000 2.421 618 Q HA 0.130 4.482 4.340 0.021 0.000 0.255 618 Q C -0.158 175.897 176.000 0.092 0.000 1.013 618 Q CA -0.217 55.641 55.803 0.092 0.000 0.895 618 Q CB 0.401 29.215 28.738 0.126 0.000 1.271 618 Q HN 0.147 nan 8.270 nan 0.000 0.460 619 K N 0.427 120.892 120.400 0.108 0.000 3.035 619 K HA -0.235 4.098 4.320 0.021 0.000 0.262 619 K C -0.459 176.159 176.600 0.030 0.000 1.024 619 K CA 0.717 57.045 56.287 0.069 0.000 0.748 619 K CB -1.542 30.977 32.500 0.031 0.000 1.247 619 K HN 0.681 nan 8.250 nan 0.000 0.482 620 N N 0.113 118.825 118.700 0.020 0.000 2.717 620 N HA 0.405 5.157 4.740 0.021 0.000 0.314 620 N C 0.500 176.002 175.510 -0.013 0.000 1.324 620 N CA -0.488 52.577 53.050 0.025 0.000 0.902 620 N CB 0.479 39.002 38.487 0.060 0.000 1.126 620 N HN 0.003 nan 8.380 nan 0.000 0.579 621 L N 1.364 122.586 121.223 -0.002 0.000 3.154 621 L HA 0.446 4.799 4.340 0.021 0.000 0.266 621 L C -0.270 176.582 176.870 -0.030 0.000 1.300 621 L CA -0.108 54.721 54.840 -0.019 0.000 1.028 621 L CB 0.068 42.134 42.059 0.011 0.000 1.412 621 L HN 0.270 nan 8.230 nan 0.000 0.564 622 I N 0.567 121.094 120.570 -0.072 0.000 2.471 622 I HA -0.007 4.175 4.170 0.021 0.000 0.286 622 I C 1.585 177.650 176.117 -0.087 0.000 1.079 622 I CA 0.319 61.589 61.300 -0.050 0.000 1.398 622 I CB 1.410 39.403 38.000 -0.012 0.000 1.403 622 I HN 0.296 nan 8.210 nan 0.000 0.530 623 T N 0.113 114.685 114.554 0.031 0.000 3.056 623 T HA 0.153 4.516 4.350 0.021 0.000 0.241 623 T C 0.739 175.538 174.700 0.165 0.000 1.006 623 T CA -0.042 62.110 62.100 0.088 0.000 1.115 623 T CB 0.275 69.187 68.868 0.074 0.000 0.939 623 T HN 0.410 nan 8.240 nan 0.000 0.462 624 S N 0.925 116.706 115.700 0.136 0.000 2.472 624 S HA 0.687 5.169 4.470 0.021 0.000 0.303 624 S C -0.848 173.835 174.600 0.139 0.000 1.099 624 S CA -0.683 57.596 58.200 0.131 0.000 1.077 624 S CB 2.010 65.269 63.200 0.097 0.000 1.031 624 S HN 0.277 nan 8.310 nan 0.000 0.487 625 V N 3.528 123.490 119.914 0.080 0.000 2.320 625 V HA 0.338 4.471 4.120 0.021 0.000 0.268 625 V C -0.205 175.973 176.094 0.140 0.000 1.021 625 V CA -0.510 61.764 62.300 -0.042 0.000 0.813 625 V CB 0.489 31.950 31.823 -0.604 0.000 1.054 625 V HN 0.806 nan 8.190 nan 0.000 0.444 626 E N 1.875 122.173 120.200 0.163 0.000 2.222 626 E HA 0.372 4.734 4.350 0.021 0.000 0.272 626 E C 0.710 177.105 176.600 -0.342 0.000 0.982 626 E CA -0.673 55.715 56.400 -0.020 0.000 0.842 626 E CB 2.234 31.903 29.700 -0.052 0.000 1.144 626 E HN 0.396 nan 8.360 nan 0.000 0.397 627 K N 2.144 122.026 120.400 -0.863 0.000 2.074 627 K HA -0.228 4.104 4.320 0.021 0.000 0.209 627 K C 1.607 177.821 176.600 -0.644 0.000 1.048 627 K CA 1.926 57.411 56.287 -1.336 0.000 0.926 627 K CB -0.004 31.646 32.500 -1.417 0.000 0.713 627 K HN 0.387 nan 8.250 nan 0.000 0.444 628 K N -0.369 119.781 120.400 -0.417 0.000 2.519 628 K HA -0.072 4.261 4.320 0.021 0.000 0.196 628 K C 1.323 177.757 176.600 -0.276 0.000 1.041 628 K CA 1.165 57.283 56.287 -0.282 0.000 0.954 628 K CB 0.269 32.643 32.500 -0.210 0.000 0.774 628 K HN 0.011 nan 8.250 nan 0.000 0.480 629 V N -0.599 119.118 119.914 -0.328 0.000 2.950 629 V HA 0.068 4.201 4.120 0.021 0.000 0.231 629 V C 1.216 177.030 176.094 -0.466 0.000 1.205 629 V CA 0.299 62.349 62.300 -0.418 0.000 1.239 629 V CB -0.198 31.317 31.823 -0.514 0.000 1.050 629 V HN 0.154 nan 8.190 nan 0.000 0.498 630 F N 1.571 121.313 119.950 -0.346 0.000 2.789 630 F HA 0.288 4.824 4.527 0.016 0.000 0.300 630 F C 2.218 177.694 175.800 -0.541 0.000 1.132 630 F CA 0.798 58.452 58.000 -0.578 0.000 1.404 630 F CB -0.587 37.763 39.000 -1.083 0.000 1.114 630 F HN 0.197 nan 8.300 nan 0.000 0.584 631 G N 1.757 110.397 108.800 -0.267 0.000 2.514 631 G HA2 -0.242 3.730 3.960 0.021 0.000 0.217 631 G HA3 -0.242 3.730 3.960 0.021 0.000 0.217 631 G C -0.576 174.371 174.900 0.079 0.000 1.198 631 G CA 0.927 45.993 45.100 -0.057 0.000 0.780 631 G HN 0.225 nan 8.290 nan 0.000 0.565 632 P HA 0.085 nan 4.420 nan 0.000 0.219 632 P C 2.087 179.440 177.300 0.088 0.000 1.150 632 P CA 1.643 64.785 63.100 0.070 0.000 0.814 632 P CB -0.077 31.651 31.700 0.047 0.000 0.787 633 A N -1.431 121.414 122.820 0.042 0.000 1.968 633 A HA -0.132 4.201 4.320 0.021 0.000 0.217 633 A C 1.739 179.466 177.584 0.238 0.000 1.169 633 A CA 1.170 53.213 52.037 0.010 0.000 0.638 633 A CB -1.465 17.372 19.000 -0.272 0.000 0.812 633 A HN 0.056 nan 8.150 nan 0.000 0.446 634 F N -0.178 119.780 119.950 0.014 0.000 2.512 634 F HA 0.106 4.645 4.527 0.020 0.000 0.296 634 F C 2.104 178.010 175.800 0.177 0.000 1.110 634 F CA 0.081 58.065 58.000 -0.026 0.000 1.446 634 F CB -0.801 37.966 39.000 -0.390 0.000 1.092 634 F HN 0.247 nan 8.300 nan 0.000 0.554 635 R N 0.899 121.614 120.500 0.358 0.000 2.168 635 R HA -0.266 4.086 4.340 0.021 0.000 0.242 635 R C 0.177 176.626 176.300 0.247 0.000 1.123 635 R CA 2.460 58.736 56.100 0.294 0.000 0.928 635 R CB -0.439 29.983 30.300 0.204 0.000 0.873 635 R HN 0.232 nan 8.270 nan 0.000 0.434 636 N N -0.464 118.346 118.700 0.184 0.000 2.553 636 N HA 0.236 4.989 4.740 0.021 0.000 0.298 636 N C -1.161 174.418 175.510 0.114 0.000 1.596 636 N CA -0.225 52.903 53.050 0.130 0.000 0.910 636 N CB 0.859 39.398 38.487 0.087 0.000 1.336 636 N HN 0.060 nan 8.380 nan 0.000 0.497 637 L N -0.210 121.104 121.223 0.152 0.000 2.467 637 L HA 0.139 4.492 4.340 0.021 0.000 0.270 637 L C 1.139 178.057 176.870 0.081 0.000 1.205 637 L CA 0.429 55.338 54.840 0.115 0.000 0.828 637 L CB 0.843 42.982 42.059 0.133 0.000 1.101 637 L HN 0.278 nan 8.230 nan 0.000 0.479 638 T N -0.499 114.087 114.554 0.053 0.000 3.045 638 T HA 0.111 4.474 4.350 0.021 0.000 0.239 638 T C 0.207 174.924 174.700 0.027 0.000 1.008 638 T CA 0.329 62.449 62.100 0.033 0.000 1.143 638 T CB 0.327 69.209 68.868 0.023 0.000 0.894 638 T HN 0.450 nan 8.240 nan 0.000 0.451 639 E N 0.730 120.951 120.200 0.036 0.000 2.288 639 E HA 0.627 4.989 4.350 0.021 0.000 0.268 639 E C -1.560 175.072 176.600 0.053 0.000 0.885 639 E CA -0.704 55.719 56.400 0.038 0.000 0.767 639 E CB 2.943 32.666 29.700 0.039 0.000 1.220 639 E HN 0.053 nan 8.360 nan 0.000 0.427 640 L N 1.751 123.013 121.223 0.065 0.000 2.431 640 L HA 0.493 4.845 4.340 0.021 0.000 0.266 640 L C -1.611 175.350 176.870 0.152 0.000 0.978 640 L CA -0.313 54.583 54.840 0.093 0.000 0.822 640 L CB 1.927 44.029 42.059 0.072 0.000 1.310 640 L HN 0.314 nan 8.230 nan 0.000 0.409 641 D N 5.177 125.682 120.400 0.175 0.000 2.358 641 D HA 0.372 5.024 4.640 0.021 0.000 0.253 641 D C -0.619 175.796 176.300 0.191 0.000 1.288 641 D CA -0.004 54.114 54.000 0.196 0.000 0.950 641 D CB 0.992 41.873 40.800 0.135 0.000 1.197 641 D HN 0.665 nan 8.370 nan 0.000 0.550 642 M N 2.461 122.212 119.600 0.252 0.000 2.705 642 M HA 0.252 4.745 4.480 0.021 0.000 0.387 642 M C 0.434 176.606 176.300 -0.213 0.000 1.204 642 M CA -0.444 54.947 55.300 0.152 0.000 0.905 642 M CB 0.698 33.513 32.600 0.357 0.000 1.394 642 M HN -0.052 nan 8.290 nan 0.000 0.515 643 R N 0.171 120.425 120.500 -0.410 0.000 2.784 643 R HA 0.147 4.499 4.340 0.021 0.000 0.266 643 R C -0.246 175.813 176.300 -0.402 0.000 1.044 643 R CA 0.260 55.916 56.100 -0.740 0.000 1.151 643 R CB 0.137 30.030 30.300 -0.678 0.000 1.037 643 R HN 0.221 nan 8.270 nan 0.000 0.478 644 F N -0.797 119.014 119.950 -0.232 0.000 3.039 644 F HA -0.286 4.252 4.527 0.018 0.000 0.287 644 F C -0.159 175.498 175.800 -0.239 0.000 0.956 644 F CA 0.431 58.324 58.000 -0.179 0.000 0.971 644 F CB -1.695 37.218 39.000 -0.145 0.000 0.943 644 F HN 0.536 nan 8.300 nan 0.000 0.766 645 N N 1.273 119.781 118.700 -0.321 0.000 2.319 645 N HA 0.385 5.138 4.740 0.021 0.000 0.305 645 N C -2.515 172.622 175.510 -0.621 0.000 1.103 645 N CA -1.512 51.202 53.050 -0.560 0.000 0.815 645 N CB 2.417 40.336 38.487 -0.946 0.000 1.288 645 N HN -0.176 nan 8.380 nan 0.000 0.493 646 P HA 0.211 nan 4.420 nan 0.000 0.231 646 P C -0.653 176.586 177.300 -0.101 0.000 1.811 646 P CA -0.224 62.787 63.100 -0.148 0.000 1.051 646 P CB -0.788 30.891 31.700 -0.036 0.000 1.951 647 F N 1.303 121.302 119.950 0.080 0.000 2.572 647 F HA 0.065 4.608 4.527 0.028 0.000 0.370 647 F C 1.367 177.205 175.800 0.064 0.000 1.103 647 F CA 0.380 58.423 58.000 0.071 0.000 1.286 647 F CB 0.063 39.118 39.000 0.093 0.000 1.105 647 F HN 0.157 nan 8.300 nan 0.000 0.583 648 D N 2.654 123.203 120.400 0.249 0.000 2.313 648 D HA 0.195 4.847 4.640 0.021 0.000 0.239 648 D C -0.962 175.355 176.300 0.028 0.000 1.142 648 D CA -0.370 53.714 54.000 0.139 0.000 0.847 648 D CB 0.553 41.421 40.800 0.113 0.000 1.082 648 D HN 0.481 nan 8.370 nan 0.000 0.480 649 c N 4.940 123.520 118.600 -0.033 0.000 2.379 649 c HA 0.435 5.018 4.570 0.021 0.000 0.476 649 c C 0.666 174.581 174.090 -0.292 0.000 1.068 649 c CA -0.431 55.672 56.329 -0.376 0.000 1.406 649 c CB -1.987 40.250 42.510 -0.455 0.000 1.496 649 c HN 0.664 nan 8.230 nan 0.000 0.551 650 T N -2.772 111.682 114.554 -0.167 0.000 2.773 650 T HA 0.318 4.680 4.350 0.021 0.000 0.278 650 T C 0.924 175.687 174.700 0.105 0.000 1.011 650 T CA -0.467 61.688 62.100 0.092 0.000 1.014 650 T CB 0.822 69.760 68.868 0.116 0.000 1.293 650 T HN 0.275 nan 8.240 nan 0.000 0.554 651 c N 0.246 118.969 118.600 0.206 0.000 2.486 651 c HA 0.092 4.674 4.570 0.021 0.000 0.279 651 c C 2.477 176.655 174.090 0.148 0.000 1.302 651 c CA 0.601 57.056 56.329 0.211 0.000 1.720 651 c CB -1.324 41.300 42.510 0.190 0.000 2.030 651 c HN 0.984 nan 8.230 nan 0.000 0.490 652 E N 0.783 121.051 120.200 0.113 0.000 2.511 652 E HA -0.036 4.326 4.350 0.021 0.000 0.196 652 E C 1.866 178.517 176.600 0.085 0.000 1.066 652 E CA 0.570 57.025 56.400 0.091 0.000 0.871 652 E CB -0.006 29.736 29.700 0.071 0.000 0.863 652 E HN 0.524 nan 8.360 nan 0.000 0.520 653 S N -0.728 115.021 115.700 0.082 0.000 2.575 653 S HA 0.295 4.778 4.470 0.021 0.000 0.230 653 S C 1.371 176.026 174.600 0.091 0.000 1.062 653 S CA -0.221 58.027 58.200 0.079 0.000 0.913 653 S CB 0.675 63.915 63.200 0.066 0.000 0.837 653 S HN 0.148 nan 8.310 nan 0.000 0.487 654 I N 0.591 121.191 120.570 0.050 0.000 4.670 654 I HA 0.326 4.509 4.170 0.021 0.000 0.339 654 I C 1.776 177.976 176.117 0.139 0.000 1.310 654 I CA 0.228 61.566 61.300 0.063 0.000 1.288 654 I CB 0.213 38.119 38.000 -0.157 0.000 1.427 654 I HN 0.195 nan 8.210 nan 0.000 0.494 655 A N 0.777 123.709 122.820 0.187 0.000 1.892 655 A HA -0.297 4.035 4.320 0.021 0.000 0.218 655 A C 1.990 179.746 177.584 0.287 0.000 1.188 655 A CA 2.269 54.466 52.037 0.267 0.000 0.631 655 A CB -1.209 17.952 19.000 0.268 0.000 0.822 655 A HN 0.741 nan 8.150 nan 0.000 0.447 656 W N -0.700 120.703 121.300 0.171 0.000 2.388 656 W HA -0.126 4.545 4.660 0.019 0.000 0.294 656 W C 1.761 178.462 176.519 0.303 0.000 1.212 656 W CA 1.615 59.080 57.345 0.199 0.000 1.271 656 W CB -0.394 29.161 29.460 0.157 0.000 1.126 656 W HN 0.342 nan 8.180 nan 0.000 0.535 657 F N 0.468 120.497 119.950 0.131 0.000 2.146 657 F HA -0.158 4.384 4.527 0.025 0.000 0.298 657 F C 2.056 177.841 175.800 -0.024 0.000 1.096 657 F CA 2.013 60.016 58.000 0.006 0.000 1.275 657 F CB -0.978 38.061 39.000 0.064 0.000 1.008 657 F HN -0.229 nan 8.300 nan 0.000 0.480 658 V N 0.387 120.254 119.914 -0.078 0.000 2.427 658 V HA -0.290 3.842 4.120 0.021 0.000 0.248 658 V C 1.915 177.916 176.094 -0.155 0.000 1.051 658 V CA 2.166 64.352 62.300 -0.190 0.000 1.048 658 V CB -1.045 30.772 31.823 -0.010 0.000 0.666 658 V HN 0.343 nan 8.190 nan 0.000 0.456 659 N N -1.188 117.465 118.700 -0.079 0.000 2.244 659 N HA -0.206 4.546 4.740 0.021 0.000 0.183 659 N C 1.600 177.016 175.510 -0.156 0.000 1.016 659 N CA 1.354 54.349 53.050 -0.091 0.000 0.866 659 N CB -0.189 38.281 38.487 -0.029 0.000 0.980 659 N HN 0.681 nan 8.380 nan 0.000 0.430 660 W N 1.675 122.724 121.300 -0.418 0.000 2.409 660 W HA 0.113 4.787 4.660 0.023 0.000 0.299 660 W C 1.580 177.881 176.519 -0.364 0.000 1.203 660 W CA 0.707 57.795 57.345 -0.428 0.000 1.298 660 W CB -0.233 28.879 29.460 -0.580 0.000 1.127 660 W HN -0.085 nan 8.180 nan 0.000 0.528 661 I N 1.041 121.351 120.570 -0.433 0.000 2.208 661 I HA -0.381 3.801 4.170 0.021 0.000 0.245 661 I C 2.581 178.370 176.117 -0.548 0.000 1.097 661 I CA 1.774 62.697 61.300 -0.627 0.000 1.363 661 I CB -0.832 36.806 38.000 -0.603 0.000 1.051 661 I HN 0.179 nan 8.210 nan 0.000 0.413 662 N N 1.259 119.721 118.700 -0.397 0.000 2.244 662 N HA -0.201 4.551 4.740 0.021 0.000 0.183 662 N C 1.453 176.771 175.510 -0.320 0.000 1.016 662 N CA 1.494 54.357 53.050 -0.311 0.000 0.866 662 N CB 0.217 38.576 38.487 -0.213 0.000 0.980 662 N HN 0.606 nan 8.380 nan 0.000 0.430 663 E N -0.831 119.155 120.200 -0.357 0.000 2.526 663 E HA 0.073 4.436 4.350 0.021 0.000 0.208 663 E C 0.187 176.570 176.600 -0.362 0.000 0.997 663 E CA -0.289 55.930 56.400 -0.301 0.000 0.961 663 E CB 0.192 29.779 29.700 -0.187 0.000 1.030 663 E HN -0.092 nan 8.360 nan 0.000 0.483 664 T N -0.406 113.788 114.554 -0.601 0.000 2.918 664 T HA 0.131 4.493 4.350 0.021 0.000 0.283 664 T C 0.354 174.783 174.700 -0.452 0.000 1.001 664 T CA -0.414 61.314 62.100 -0.619 0.000 1.041 664 T CB 0.988 69.072 68.868 -1.306 0.000 1.028 664 T HN 0.223 nan 8.240 nan 0.000 0.511 665 H N 1.525 120.395 119.070 -0.333 0.000 2.586 665 H HA 0.175 4.744 4.556 0.020 0.000 0.273 665 H C 0.390 175.598 175.328 -0.201 0.000 0.997 665 H CA -0.102 55.811 56.048 -0.224 0.000 1.177 665 H CB 0.488 30.164 29.762 -0.143 0.000 1.471 665 H HN 0.465 nan 8.280 nan 0.000 0.538 666 T N 2.031 116.487 114.554 -0.164 0.000 2.834 666 T HA -0.059 4.304 4.350 0.021 0.000 0.298 666 T C 0.589 175.198 174.700 -0.151 0.000 0.966 666 T CA -0.202 61.830 62.100 -0.113 0.000 1.141 666 T CB 0.482 69.315 68.868 -0.059 0.000 0.905 666 T HN 0.273 nan 8.240 nan 0.000 0.535 667 N N 3.518 122.170 118.700 -0.080 0.000 2.416 667 N HA 0.121 4.874 4.740 0.021 0.000 0.265 667 N C -0.774 174.696 175.510 -0.067 0.000 1.195 667 N CA -0.004 52.998 53.050 -0.080 0.000 0.943 667 N CB -0.058 38.405 38.487 -0.040 0.000 1.115 667 N HN 0.495 nan 8.380 nan 0.000 0.481 668 I N 5.139 125.640 120.570 -0.115 0.000 2.460 668 I HA 0.320 4.502 4.170 0.021 0.000 0.277 668 I C -2.065 174.005 176.117 -0.079 0.000 1.057 668 I CA -2.020 59.219 61.300 -0.101 0.000 1.179 668 I CB 1.254 39.111 38.000 -0.238 0.000 1.329 668 I HN 0.352 nan 8.210 nan 0.000 0.478 669 P HA 0.125 nan 4.420 nan 0.000 0.271 669 P C -0.194 177.154 177.300 0.080 0.000 1.216 669 P CA -0.062 63.056 63.100 0.029 0.000 0.776 669 P CB 0.365 32.100 31.700 0.058 0.000 0.881 670 E N -0.323 119.900 120.200 0.038 0.000 2.440 670 E HA -0.239 4.123 4.350 0.021 0.000 0.246 670 E C 0.596 177.231 176.600 0.058 0.000 1.165 670 E CA -0.213 56.209 56.400 0.037 0.000 0.726 670 E CB -1.366 28.422 29.700 0.147 0.000 1.271 670 E HN 0.309 nan 8.360 nan 0.000 0.397 671 L N 0.360 121.541 121.223 -0.070 0.000 2.046 671 L HA -0.176 4.176 4.340 0.021 0.000 0.208 671 L C 2.316 179.092 176.870 -0.158 0.000 1.077 671 L CA 2.569 57.262 54.840 -0.245 0.000 0.747 671 L CB -0.416 41.401 42.059 -0.404 0.000 0.896 671 L HN 0.391 nan 8.230 nan 0.000 0.432 672 S N -1.449 114.158 115.700 -0.156 0.000 2.368 672 S HA -0.150 4.332 4.470 0.021 0.000 0.224 672 S C 1.977 176.494 174.600 -0.140 0.000 1.029 672 S CA 1.147 59.254 58.200 -0.154 0.000 0.988 672 S CB -1.027 62.082 63.200 -0.151 0.000 0.838 672 S HN 0.645 nan 8.310 nan 0.000 0.462 673 S N 1.511 117.095 115.700 -0.193 0.000 2.388 673 S HA 0.051 4.533 4.470 0.021 0.000 0.223 673 S C 1.228 175.648 174.600 -0.301 0.000 1.034 673 S CA 0.516 58.528 58.200 -0.314 0.000 0.963 673 S CB -0.830 62.051 63.200 -0.532 0.000 0.827 673 S HN 0.781 nan 8.310 nan 0.000 0.481 674 H N -0.576 118.489 119.070 -0.008 0.000 2.487 674 H HA 0.368 4.937 4.556 0.022 0.000 0.290 674 H C -1.057 174.171 175.328 -0.167 0.000 1.081 674 H CA -0.321 55.614 56.048 -0.187 0.000 1.116 674 H CB 0.121 29.523 29.762 -0.599 0.000 1.560 674 H HN 0.327 nan 8.280 nan 0.000 0.548 675 Y N 1.791 122.110 120.300 0.032 0.000 2.863 675 Y HA 0.305 4.870 4.550 0.024 0.000 0.348 675 Y C -0.603 175.390 175.900 0.155 0.000 1.028 675 Y CA -0.679 57.519 58.100 0.164 0.000 1.213 675 Y CB 0.395 38.871 38.460 0.026 0.000 1.120 675 Y HN 0.071 nan 8.280 nan 0.000 0.598 676 L N 0.908 122.332 121.223 0.336 0.000 2.330 676 L HA 0.639 4.991 4.340 0.021 0.000 0.271 676 L C -0.201 176.878 176.870 0.347 0.000 1.013 676 L CA -0.983 54.010 54.840 0.255 0.000 0.816 676 L CB 1.443 43.591 42.059 0.149 0.000 1.287 676 L HN 0.353 nan 8.230 nan 0.000 0.435 677 c N 0.487 119.255 118.600 0.280 0.000 2.534 677 c HA 0.191 4.773 4.570 0.021 0.000 0.385 677 c C 1.365 175.616 174.090 0.267 0.000 1.264 677 c CA -0.394 56.115 56.329 0.299 0.000 2.342 677 c CB 0.800 43.489 42.510 0.298 0.000 2.564 677 c HN 0.929 nan 8.230 nan 0.000 0.603 678 N N -0.517 118.361 118.700 0.297 0.000 2.782 678 N HA -0.000 4.752 4.740 0.021 0.000 0.244 678 N C 0.087 175.828 175.510 0.384 0.000 1.029 678 N CA 0.422 53.702 53.050 0.382 0.000 0.999 678 N CB 0.580 39.215 38.487 0.248 0.000 1.634 678 N HN 0.678 nan 8.380 nan 0.000 0.478 679 T N 2.961 117.669 114.554 0.255 0.000 2.823 679 T HA 0.490 4.852 4.350 0.021 0.000 0.279 679 T C -2.822 172.020 174.700 0.235 0.000 0.998 679 T CA -2.062 60.161 62.100 0.205 0.000 0.994 679 T CB 1.834 70.784 68.868 0.138 0.000 0.960 679 T HN 0.043 nan 8.240 nan 0.000 0.448 680 P HA 0.287 nan 4.420 nan 0.000 0.274 680 P C -2.098 175.352 177.300 0.250 0.000 1.237 680 P CA -1.519 61.724 63.100 0.240 0.000 0.793 680 P CB 0.494 32.351 31.700 0.262 0.000 0.977 681 P HA -0.202 nan 4.420 nan 0.000 0.226 681 P C 1.454 178.840 177.300 0.143 0.000 1.146 681 P CA 1.461 64.626 63.100 0.109 0.000 0.773 681 P CB -0.435 31.286 31.700 0.036 0.000 0.772 682 H N -0.868 118.227 119.070 0.041 0.000 2.395 682 H HA -0.074 4.494 4.556 0.020 0.000 0.299 682 H C 0.661 175.886 175.328 -0.172 0.000 1.070 682 H CA 1.091 57.073 56.048 -0.111 0.000 1.356 682 H CB -0.007 29.625 29.762 -0.215 0.000 1.401 682 H HN 0.101 nan 8.280 nan 0.000 0.524 683 Y N 0.300 120.685 120.300 0.141 0.000 2.524 683 Y HA 0.084 4.646 4.550 0.020 0.000 0.266 683 Y C 0.182 176.225 175.900 0.239 0.000 1.180 683 Y CA -0.311 57.876 58.100 0.145 0.000 1.244 683 Y CB -0.357 38.271 38.460 0.280 0.000 1.125 683 Y HN 0.227 nan 8.280 nan 0.000 0.524 684 H N 0.405 119.608 119.070 0.222 0.000 3.091 684 H HA 0.342 4.909 4.556 0.019 0.000 0.289 684 H C 1.291 176.739 175.328 0.200 0.000 0.995 684 H CA 0.845 57.009 56.048 0.194 0.000 1.461 684 H CB 0.001 29.841 29.762 0.129 0.000 1.510 684 H HN 0.546 nan 8.280 nan 0.000 0.546 685 G N 3.915 112.670 108.800 -0.075 0.000 2.175 685 G HA2 -0.273 3.700 3.960 0.021 0.000 0.244 685 G HA3 -0.273 3.700 3.960 0.021 0.000 0.244 685 G C 0.266 175.267 174.900 0.169 0.000 0.982 685 G CA 0.003 45.090 45.100 -0.022 0.000 0.641 685 G HN 0.620 nan 8.290 nan 0.000 0.527 686 F N 2.455 122.464 119.950 0.100 0.000 2.396 686 F HA 0.574 5.113 4.527 0.019 0.000 0.343 686 F C -1.795 174.085 175.800 0.132 0.000 1.104 686 F CA -2.270 55.815 58.000 0.142 0.000 1.161 686 F CB 1.413 40.574 39.000 0.267 0.000 1.146 686 F HN -0.092 nan 8.300 nan 0.000 0.522 687 P HA -0.042 nan 4.420 nan 0.000 0.271 687 P C 0.544 177.742 177.300 -0.171 0.000 1.216 687 P CA -0.048 62.911 63.100 -0.235 0.000 0.771 687 P CB 0.996 32.493 31.700 -0.338 0.000 0.864 688 V N 2.479 122.348 119.914 -0.075 0.000 2.970 688 V HA -0.129 4.003 4.120 0.021 0.000 0.260 688 V C 1.973 177.977 176.094 -0.150 0.000 1.100 688 V CA 1.253 63.488 62.300 -0.109 0.000 1.122 688 V CB -1.147 30.548 31.823 -0.213 0.000 0.721 688 V HN 0.453 nan 8.190 nan 0.000 0.483 689 R N -0.186 120.193 120.500 -0.201 0.000 2.090 689 R HA 0.051 4.403 4.340 0.021 0.000 0.228 689 R C 1.511 177.732 176.300 -0.131 0.000 1.110 689 R CA 1.338 57.303 56.100 -0.225 0.000 0.973 689 R CB -0.136 30.009 30.300 -0.258 0.000 0.869 689 R HN 0.527 nan 8.270 nan 0.000 0.440 690 L N 0.889 122.039 121.223 -0.122 0.000 2.672 690 L HA 0.181 4.533 4.340 0.021 0.000 0.236 690 L C -0.057 176.941 176.870 0.214 0.000 1.186 690 L CA 0.266 55.086 54.840 -0.033 0.000 0.977 690 L CB -0.486 41.447 42.059 -0.212 0.000 1.203 690 L HN 0.037 nan 8.230 nan 0.000 0.448 691 F N -0.034 119.936 119.950 0.034 0.000 2.418 691 F HA 0.191 4.733 4.527 0.024 0.000 0.341 691 F C 0.769 176.597 175.800 0.047 0.000 1.120 691 F CA -0.642 57.398 58.000 0.067 0.000 1.232 691 F CB 0.688 39.665 39.000 -0.038 0.000 1.175 691 F HN -0.004 nan 8.300 nan 0.000 0.569 692 D N 2.549 122.573 120.400 -0.626 0.000 2.313 692 D HA 0.162 4.814 4.640 0.021 0.000 0.239 692 D C 0.542 176.587 176.300 -0.424 0.000 1.142 692 D CA -0.111 53.645 54.000 -0.405 0.000 0.847 692 D CB 1.084 41.699 40.800 -0.308 0.000 1.082 692 D HN 0.590 nan 8.370 nan 0.000 0.480 693 T N -0.478 114.013 114.554 -0.106 0.000 3.086 693 T HA 0.010 4.373 4.350 0.021 0.000 0.250 693 T C 1.773 176.482 174.700 0.014 0.000 1.074 693 T CA -0.101 62.015 62.100 0.027 0.000 0.988 693 T CB 0.177 69.105 68.868 0.100 0.000 0.988 693 T HN 0.204 nan 8.240 nan 0.000 0.530 694 S N 1.337 117.021 115.700 -0.027 0.000 2.447 694 S HA -0.041 4.442 4.470 0.021 0.000 0.233 694 S C 1.997 176.596 174.600 -0.003 0.000 1.006 694 S CA 1.002 59.195 58.200 -0.011 0.000 0.957 694 S CB -0.586 62.601 63.200 -0.023 0.000 0.773 694 S HN 0.582 nan 8.310 nan 0.000 0.507 695 S N 0.185 115.877 115.700 -0.014 0.000 2.501 695 S HA 0.169 4.651 4.470 0.021 0.000 0.220 695 S C 0.856 175.480 174.600 0.040 0.000 0.997 695 S CA -0.057 58.146 58.200 0.005 0.000 0.919 695 S CB -0.161 63.031 63.200 -0.013 0.000 0.778 695 S HN 0.596 nan 8.310 nan 0.000 0.523 696 c N 0.000 118.638 118.600 0.063 0.000 2.653 696 c HA 0.000 4.582 4.570 0.021 0.000 0.325 696 c CA 0.000 56.386 56.329 0.095 0.000 1.963 696 c CB 0.000 42.599 42.510 0.148 0.000 2.134 696 c HN 0.000 nan 8.230 nan 0.000 0.568