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 3os6_1_D DATA FIRST_RESID 9 DATA SEQUENCE ELSEKLLEDY KTESSLFFAS PTRTILAEGE FTTVKHHEIE SFPELVQAVL DATA SEQUENCE RNAKQAGNPN PIVVGALPFD RRKEVQLIVP EYSRISERLQ LDXXXXXXXX DATA SEQUENCE XNLTFEXTPV PDHEVYXKGV KQGIEKIKDG DLKKIVLSRS LDVKSSGKID DATA SEQUENCE KQKLLRELAE HNKHGYTFAV NLPKDXXENS KTLIGASPEL LVSRHGXQVI DATA SEQUENCE SNPLAGSRPR SDDPVEDKRR AEELLSSPKD LHEHAVVVEA VAAALRPYCH DATA SEQUENCE TLYVPEKPSV IHSEAXWHLS TEVKGELKNP NTSSLELAIA LHPTPAVCGT DATA SEQUENCE PXEEAREAIQ KIEPFDREFF TGXLGWSDLN GDGEWIVTIR CAEVQENTLR DATA SEQUENCE LYAGAGVVAE SKPEDELAET SAKFQTXLKA LGLN 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 9 E HA 0.000 nan 4.350 nan 0.000 0.291 9 E C 0.000 176.605 176.600 0.009 0.000 1.382 9 E CA 0.000 56.401 56.400 0.002 0.000 0.976 9 E CB 0.000 29.698 29.700 -0.003 0.000 0.812 10 L N 2.703 123.931 121.223 0.008 0.000 2.051 10 L HA -0.259 4.081 4.340 -0.000 0.000 0.214 10 L C 2.264 179.150 176.870 0.025 0.000 1.076 10 L CA 3.066 57.916 54.840 0.016 0.000 0.758 10 L CB -0.713 41.351 42.059 0.010 0.000 0.890 10 L HN 0.737 nan 8.230 nan 0.000 0.433 11 S N -1.066 114.644 115.700 0.017 0.000 2.372 11 S HA -0.352 4.118 4.470 -0.000 0.000 0.227 11 S C 1.970 176.609 174.600 0.064 0.000 1.044 11 S CA 1.574 59.791 58.200 0.028 0.000 1.050 11 S CB -0.941 62.262 63.200 0.005 0.000 0.901 11 S HN 0.707 nan 8.310 nan 0.000 0.447 12 E N 1.229 121.454 120.200 0.042 0.000 2.106 12 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 12 E C 2.042 178.672 176.600 0.051 0.000 0.984 12 E CA 1.218 57.642 56.400 0.042 0.000 0.806 12 E CB -0.104 29.606 29.700 0.016 0.000 0.750 12 E HN 0.489 nan 8.360 nan 0.000 0.458 13 K N 0.052 120.481 120.400 0.048 0.000 2.147 13 K HA -0.062 4.258 4.320 -0.000 0.000 0.205 13 K C 2.092 178.741 176.600 0.082 0.000 1.049 13 K CA 1.205 57.523 56.287 0.051 0.000 0.936 13 K CB -0.506 32.019 32.500 0.042 0.000 0.722 13 K HN 0.331 nan 8.250 nan 0.000 0.446 14 L N -0.164 121.129 121.223 0.116 0.000 2.072 14 L HA -0.046 4.294 4.340 -0.000 0.000 0.205 14 L C 2.434 179.463 176.870 0.266 0.000 1.079 14 L CA 0.862 55.814 54.840 0.186 0.000 0.752 14 L CB -0.554 41.615 42.059 0.182 0.000 0.906 14 L HN 0.184 nan 8.230 nan 0.000 0.436 15 L N 0.242 121.608 121.223 0.237 0.000 2.083 15 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 15 L C 2.316 179.171 176.870 -0.025 0.000 1.083 15 L CA 1.776 56.620 54.840 0.007 0.000 0.752 15 L CB -0.471 41.571 42.059 -0.028 0.000 0.899 15 L HN 0.194 nan 8.230 nan 0.000 0.433 16 E N -0.688 119.528 120.200 0.026 0.000 2.150 16 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 16 E C 1.255 177.877 176.600 0.036 0.000 0.985 16 E CA 1.236 57.648 56.400 0.020 0.000 0.814 16 E CB -0.015 29.697 29.700 0.021 0.000 0.752 16 E HN 0.552 nan 8.360 nan 0.000 0.466 17 D N -0.492 119.946 120.400 0.064 0.000 2.349 17 D HA -0.072 4.567 4.640 -0.000 0.000 0.215 17 D C -0.012 176.320 176.300 0.054 0.000 1.016 17 D CA 0.119 54.153 54.000 0.056 0.000 0.870 17 D CB -0.257 40.584 40.800 0.069 0.000 0.917 17 D HN 0.147 nan 8.370 nan 0.000 0.524 18 Y N 2.233 122.513 120.300 -0.033 0.000 2.810 18 Y HA -0.018 4.531 4.550 -0.000 0.000 0.332 18 Y C 0.204 176.082 175.900 -0.036 0.000 1.243 18 Y CA 0.210 58.282 58.100 -0.047 0.000 1.537 18 Y CB 0.231 38.575 38.460 -0.194 0.000 1.265 18 Y HN -0.302 nan 8.280 nan 0.000 0.572 19 K N 3.055 122.923 120.400 -0.887 0.000 2.400 19 K HA 0.213 4.533 4.320 -0.000 0.000 0.246 19 K C 0.840 176.838 176.600 -1.003 0.000 0.995 19 K CA -0.570 55.277 56.287 -0.734 0.000 0.840 19 K CB 1.865 34.172 32.500 -0.321 0.000 1.293 19 K HN 0.605 nan 8.250 nan 0.000 0.445 20 T N 0.332 114.588 114.554 -0.497 0.000 2.849 20 T HA -0.159 4.190 4.350 -0.000 0.000 0.270 20 T C 1.678 176.289 174.700 -0.149 0.000 1.066 20 T CA 2.074 64.030 62.100 -0.241 0.000 1.130 20 T CB -0.009 68.808 68.868 -0.085 0.000 0.864 20 T HN 0.636 nan 8.240 nan 0.000 0.481 21 E N 0.198 120.301 120.200 -0.162 0.000 2.358 21 E HA 0.130 4.480 4.350 -0.000 0.000 0.195 21 E C 0.942 177.503 176.600 -0.065 0.000 1.010 21 E CA 0.268 56.619 56.400 -0.081 0.000 0.856 21 E CB -0.699 28.962 29.700 -0.065 0.000 0.795 21 E HN 0.540 nan 8.360 nan 0.000 0.504 22 S N 1.565 117.192 115.700 -0.122 0.000 2.525 22 S HA 0.127 4.597 4.470 -0.000 0.000 0.285 22 S C 1.076 175.733 174.600 0.094 0.000 1.283 22 S CA 0.245 58.434 58.200 -0.017 0.000 1.072 22 S CB 1.194 64.409 63.200 0.025 0.000 0.867 22 S HN 0.490 nan 8.310 nan 0.000 0.492 23 S N 1.856 117.595 115.700 0.066 0.000 2.382 23 S HA -0.012 4.458 4.470 -0.000 0.000 0.228 23 S C 0.348 175.023 174.600 0.125 0.000 1.027 23 S CA 0.678 58.925 58.200 0.078 0.000 0.991 23 S CB -0.305 62.922 63.200 0.046 0.000 0.823 23 S HN 0.614 nan 8.310 nan 0.000 0.469 24 L N -0.551 120.766 121.223 0.156 0.000 2.549 24 L HA 0.600 4.940 4.340 -0.000 0.000 0.259 24 L C -1.975 175.063 176.870 0.279 0.000 0.934 24 L CA -0.730 54.230 54.840 0.200 0.000 0.865 24 L CB 1.536 43.654 42.059 0.099 0.000 1.352 24 L HN 0.092 nan 8.230 nan 0.000 0.410 25 F N 5.518 125.577 119.950 0.181 0.000 2.458 25 F HA 0.744 5.271 4.527 -0.000 0.000 0.336 25 F C -1.726 174.206 175.800 0.221 0.000 1.114 25 F CA -0.617 57.462 58.000 0.131 0.000 0.987 25 F CB 1.427 40.407 39.000 -0.034 0.000 1.130 25 F HN 0.442 nan 8.300 nan 0.000 0.458 26 F N 5.500 125.027 119.950 -0.705 0.000 2.617 26 F HA 0.719 5.246 4.527 -0.000 0.000 0.325 26 F C -1.266 174.201 175.800 -0.556 0.000 1.179 26 F CA -0.683 57.094 58.000 -0.371 0.000 0.965 26 F CB 1.286 40.191 39.000 -0.158 0.000 1.232 26 F HN 0.634 nan 8.300 nan 0.000 0.461 27 A N 4.373 126.784 122.820 -0.682 0.000 2.273 27 A HA 0.747 5.067 4.320 -0.000 0.000 0.315 27 A C -0.697 176.586 177.584 -0.501 0.000 1.256 27 A CA 0.013 51.769 52.037 -0.469 0.000 0.851 27 A CB 0.715 19.586 19.000 -0.215 0.000 1.172 27 A HN 0.888 nan 8.150 nan 0.000 0.508 28 S N 2.078 117.556 115.700 -0.370 0.000 2.704 28 S HA 0.750 5.220 4.470 -0.000 0.000 0.296 28 S C -2.567 171.863 174.600 -0.284 0.000 1.138 28 S CA -1.329 56.634 58.200 -0.396 0.000 0.875 28 S CB 1.443 64.662 63.200 0.032 0.000 1.151 28 S HN 0.178 nan 8.310 nan 0.000 0.500 29 P HA 0.022 nan 4.420 nan 0.000 0.225 29 P C 1.268 178.533 177.300 -0.059 0.000 1.148 29 P CA 1.432 64.428 63.100 -0.173 0.000 0.779 29 P CB -0.124 31.477 31.700 -0.164 0.000 0.780 30 T N -4.201 110.358 114.554 0.009 0.000 3.014 30 T HA 0.171 4.521 4.350 -0.000 0.000 0.250 30 T C 0.692 175.413 174.700 0.034 0.000 1.060 30 T CA -0.251 61.882 62.100 0.054 0.000 1.040 30 T CB -0.026 68.927 68.868 0.141 0.000 0.971 30 T HN 0.162 nan 8.240 nan 0.000 0.497 31 R N -0.729 119.774 120.500 0.006 0.000 2.774 31 R HA 0.462 4.802 4.340 -0.000 0.000 0.279 31 R C -2.115 174.126 176.300 -0.099 0.000 1.022 31 R CA -0.816 55.257 56.100 -0.046 0.000 0.855 31 R CB 0.468 30.727 30.300 -0.068 0.000 1.279 31 R HN -0.025 nan 8.270 nan 0.000 0.485 32 T N 1.868 116.337 114.554 -0.142 0.000 2.841 32 T HA 0.556 4.906 4.350 -0.000 0.000 0.285 32 T C -0.342 174.211 174.700 -0.245 0.000 0.991 32 T CA -0.570 61.396 62.100 -0.224 0.000 0.966 32 T CB 0.953 69.722 68.868 -0.166 0.000 0.962 32 T HN 0.374 nan 8.240 nan 0.000 0.438 33 I N 3.355 123.733 120.570 -0.320 0.000 2.433 33 I HA 0.525 4.695 4.170 -0.000 0.000 0.292 33 I C -1.090 174.885 176.117 -0.236 0.000 1.001 33 I CA -1.094 60.042 61.300 -0.273 0.000 1.119 33 I CB 1.954 39.767 38.000 -0.311 0.000 1.289 33 I HN 0.322 nan 8.210 nan 0.000 0.438 34 L N 6.626 127.794 121.223 -0.093 0.000 2.343 34 L HA 0.797 5.137 4.340 -0.000 0.000 0.278 34 L C -0.561 176.281 176.870 -0.048 0.000 0.996 34 L CA -0.213 54.652 54.840 0.041 0.000 0.831 34 L CB 1.365 43.516 42.059 0.154 0.000 1.232 34 L HN 0.675 nan 8.230 nan 0.000 0.413 35 A N 4.603 127.401 122.820 -0.037 0.000 2.331 35 A HA 0.839 5.159 4.320 -0.000 0.000 0.320 35 A C -0.807 176.692 177.584 -0.141 0.000 1.138 35 A CA -0.586 51.382 52.037 -0.115 0.000 0.790 35 A CB 0.824 19.782 19.000 -0.069 0.000 1.206 35 A HN 0.617 nan 8.150 nan 0.000 0.470 36 E N 1.194 121.209 120.200 -0.309 0.000 2.199 36 E HA 0.595 4.945 4.350 -0.000 0.000 0.269 36 E C 0.529 177.034 176.600 -0.157 0.000 0.899 36 E CA 0.436 56.661 56.400 -0.293 0.000 0.772 36 E CB 1.851 31.208 29.700 -0.572 0.000 1.155 36 E HN 1.590 nan 8.360 nan 0.000 0.408 37 G N 2.811 111.582 108.800 -0.049 0.000 2.698 37 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.233 37 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.233 37 G C -0.715 174.220 174.900 0.059 0.000 1.352 37 G CA -0.392 44.724 45.100 0.027 0.000 0.879 37 G HN 0.503 nan 8.290 nan 0.000 0.567 38 E N -1.047 119.212 120.200 0.098 0.000 2.621 38 E HA 0.421 4.771 4.350 -0.000 0.000 0.263 38 E C 0.344 177.046 176.600 0.169 0.000 1.033 38 E CA -0.556 55.916 56.400 0.121 0.000 0.778 38 E CB 0.886 30.637 29.700 0.085 0.000 1.426 38 E HN 0.517 nan 8.360 nan 0.000 0.394 39 F N 2.074 122.048 119.950 0.040 0.000 2.146 39 F HA 0.021 4.548 4.527 -0.000 0.000 0.298 39 F C 0.433 176.257 175.800 0.040 0.000 1.096 39 F CA 1.169 59.195 58.000 0.042 0.000 1.275 39 F CB 0.711 39.737 39.000 0.044 0.000 1.008 39 F HN 0.176 nan 8.300 nan 0.000 0.480 40 T N 0.104 114.788 114.554 0.218 0.000 3.032 40 T HA 0.340 4.690 4.350 -0.000 0.000 0.312 40 T C -0.943 173.830 174.700 0.121 0.000 1.078 40 T CA -0.636 61.526 62.100 0.104 0.000 1.028 40 T CB 1.829 70.790 68.868 0.155 0.000 1.091 40 T HN -0.160 nan 8.240 nan 0.000 0.457 41 T N 2.127 116.734 114.554 0.089 0.000 2.829 41 T HA 0.681 5.031 4.350 -0.000 0.000 0.280 41 T C -0.890 173.881 174.700 0.118 0.000 0.999 41 T CA -0.606 61.559 62.100 0.109 0.000 0.983 41 T CB 1.739 70.663 68.868 0.094 0.000 0.968 41 T HN 0.448 nan 8.240 nan 0.000 0.446 42 V N 3.679 123.692 119.914 0.163 0.000 2.531 42 V HA 0.671 4.791 4.120 -0.000 0.000 0.301 42 V C -0.987 175.272 176.094 0.276 0.000 1.034 42 V CA -0.663 61.758 62.300 0.202 0.000 0.865 42 V CB 1.603 33.536 31.823 0.185 0.000 0.995 42 V HN 0.776 nan 8.190 nan 0.000 0.424 43 K N 4.071 124.603 120.400 0.220 0.000 2.324 43 K HA 0.637 4.956 4.320 -0.000 0.000 0.253 43 K C -1.776 174.938 176.600 0.190 0.000 0.932 43 K CA -0.777 55.599 56.287 0.149 0.000 0.799 43 K CB 1.660 34.222 32.500 0.103 0.000 1.154 43 K HN 0.933 nan 8.250 nan 0.000 0.425 44 H N 0.276 119.290 119.070 -0.092 0.000 2.974 44 H HA 0.185 4.741 4.556 -0.000 0.000 0.366 44 H C -0.225 175.044 175.328 -0.099 0.000 1.155 44 H CA -0.402 55.615 56.048 -0.051 0.000 1.186 44 H CB 1.473 31.245 29.762 0.016 0.000 1.799 44 H HN 0.757 nan 8.280 nan 0.000 0.541 45 H N 2.055 120.823 119.070 -0.503 0.000 2.502 45 H HA 0.158 4.714 4.556 -0.000 0.000 0.283 45 H C -0.057 175.079 175.328 -0.321 0.000 1.015 45 H CA 1.041 56.881 56.048 -0.347 0.000 1.298 45 H CB 0.687 30.276 29.762 -0.289 0.000 1.411 45 H HN 0.571 nan 8.280 nan 0.000 0.556 46 E N 0.252 120.258 120.200 -0.324 0.000 2.267 46 E HA 0.102 4.452 4.350 -0.000 0.000 0.248 46 E C 0.516 177.136 176.600 0.033 0.000 0.899 46 E CA -0.277 56.054 56.400 -0.115 0.000 0.764 46 E CB 0.681 30.354 29.700 -0.045 0.000 1.227 46 E HN 0.443 nan 8.360 nan 0.000 0.421 47 I N 3.816 124.362 120.570 -0.040 0.000 2.248 47 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 47 I C 1.496 177.670 176.117 0.095 0.000 1.107 47 I CA 1.258 62.556 61.300 -0.004 0.000 1.373 47 I CB 0.317 38.272 38.000 -0.075 0.000 1.055 47 I HN 0.601 nan 8.210 nan 0.000 0.418 48 E N 0.512 120.754 120.200 0.069 0.000 2.204 48 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 48 E C 1.953 178.622 176.600 0.115 0.000 0.990 48 E CA 1.509 57.952 56.400 0.072 0.000 0.821 48 E CB -0.141 29.585 29.700 0.043 0.000 0.750 48 E HN 0.618 nan 8.360 nan 0.000 0.477 49 S N -0.540 115.278 115.700 0.196 0.000 2.568 49 S HA 0.096 4.566 4.470 -0.000 0.000 0.232 49 S C 1.326 176.026 174.600 0.167 0.000 0.975 49 S CA -0.562 57.755 58.200 0.195 0.000 0.949 49 S CB -0.176 63.178 63.200 0.257 0.000 0.829 49 S HN 0.043 nan 8.310 nan 0.000 0.479 50 F N 3.782 123.741 119.950 0.014 0.000 2.146 50 F HA 0.194 4.721 4.527 -0.000 0.000 0.298 50 F C -1.230 174.483 175.800 -0.145 0.000 1.096 50 F CA 0.341 58.268 58.000 -0.122 0.000 1.275 50 F CB -1.395 37.597 39.000 -0.013 0.000 1.008 50 F HN 0.165 nan 8.300 nan 0.000 0.480 51 P HA -0.197 nan 4.420 nan 0.000 0.216 51 P C 1.407 178.586 177.300 -0.202 0.000 1.153 51 P CA 2.133 65.098 63.100 -0.225 0.000 0.858 51 P CB -0.074 31.550 31.700 -0.127 0.000 0.789 52 E N -1.151 118.973 120.200 -0.128 0.000 2.150 52 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 52 E C 1.855 178.376 176.600 -0.132 0.000 0.985 52 E CA 0.517 56.856 56.400 -0.102 0.000 0.814 52 E CB -0.592 29.077 29.700 -0.053 0.000 0.752 52 E HN 0.090 nan 8.360 nan 0.000 0.466 53 L N 0.612 121.722 121.223 -0.188 0.000 2.017 53 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 53 L C 2.186 178.931 176.870 -0.208 0.000 1.073 53 L CA 1.450 56.174 54.840 -0.193 0.000 0.745 53 L CB -0.489 41.409 42.059 -0.269 0.000 0.894 53 L HN -0.059 nan 8.230 nan 0.000 0.432 54 V N -0.211 119.489 119.914 -0.357 0.000 2.332 54 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 54 V C 2.723 178.712 176.094 -0.174 0.000 1.055 54 V CA 1.784 63.881 62.300 -0.339 0.000 1.038 54 V CB -0.694 30.801 31.823 -0.547 0.000 0.651 54 V HN 0.542 nan 8.190 nan 0.000 0.450 55 Q N -0.306 119.404 119.800 -0.150 0.000 2.124 55 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 55 Q C 2.430 178.397 176.000 -0.055 0.000 0.977 55 Q CA 1.851 57.603 55.803 -0.085 0.000 0.850 55 Q CB -0.739 27.957 28.738 -0.071 0.000 0.901 55 Q HN 0.662 nan 8.270 nan 0.000 0.429 56 A N 0.248 123.033 122.820 -0.059 0.000 1.902 56 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 56 A C 2.432 180.010 177.584 -0.009 0.000 1.181 56 A CA 1.539 53.558 52.037 -0.029 0.000 0.623 56 A CB -0.622 18.360 19.000 -0.030 0.000 0.818 56 A HN 0.215 nan 8.150 nan 0.000 0.443 57 V N -0.091 119.814 119.914 -0.017 0.000 2.427 57 V HA -0.198 3.921 4.120 -0.000 0.000 0.248 57 V C 2.521 178.641 176.094 0.044 0.000 1.051 57 V CA 1.716 64.029 62.300 0.022 0.000 1.048 57 V CB -0.600 31.232 31.823 0.015 0.000 0.666 57 V HN 0.557 nan 8.190 nan 0.000 0.456 58 L N -0.765 120.464 121.223 0.010 0.000 2.056 58 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 58 L C 2.752 179.630 176.870 0.014 0.000 1.078 58 L CA 1.539 56.386 54.840 0.012 0.000 0.749 58 L CB -0.525 41.530 42.059 -0.006 0.000 0.901 58 L HN 0.204 nan 8.230 nan 0.000 0.433 59 R N -0.011 120.495 120.500 0.009 0.000 2.081 59 R HA -0.211 4.129 4.340 -0.000 0.000 0.235 59 R C 2.099 178.417 176.300 0.030 0.000 1.131 59 R CA 1.949 58.057 56.100 0.012 0.000 0.960 59 R CB -0.382 29.921 30.300 0.006 0.000 0.856 59 R HN 0.371 nan 8.270 nan 0.000 0.436 60 N N 0.331 119.061 118.700 0.049 0.000 2.188 60 N HA -0.141 4.599 4.740 -0.000 0.000 0.184 60 N C 1.579 177.165 175.510 0.127 0.000 1.018 60 N CA 1.470 54.568 53.050 0.080 0.000 0.858 60 N CB -0.052 38.486 38.487 0.085 0.000 0.989 60 N HN 0.209 nan 8.380 nan 0.000 0.426 61 A N 0.611 123.512 122.820 0.135 0.000 1.969 61 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 61 A C 2.110 179.678 177.584 -0.026 0.000 1.169 61 A CA 1.410 53.511 52.037 0.108 0.000 0.635 61 A CB -0.673 18.333 19.000 0.010 0.000 0.810 61 A HN 0.457 nan 8.150 nan 0.000 0.445 62 K N -0.257 120.136 120.400 -0.011 0.000 1.985 62 K HA -0.231 4.088 4.320 -0.000 0.000 0.210 62 K C 2.145 178.746 176.600 0.001 0.000 1.047 62 K CA 1.834 58.108 56.287 -0.021 0.000 0.932 62 K CB -0.306 32.188 32.500 -0.010 0.000 0.716 62 K HN 0.561 nan 8.250 nan 0.000 0.439 63 Q N -0.342 119.473 119.800 0.026 0.000 2.197 63 Q HA -0.161 4.179 4.340 -0.000 0.000 0.207 63 Q C 1.952 177.982 176.000 0.049 0.000 0.984 63 Q CA 1.607 57.430 55.803 0.034 0.000 0.869 63 Q CB -0.125 28.637 28.738 0.040 0.000 0.906 63 Q HN 0.480 nan 8.270 nan 0.000 0.426 64 A N -0.431 122.438 122.820 0.080 0.000 2.016 64 A HA 0.191 4.510 4.320 -0.000 0.000 0.217 64 A C 1.356 178.975 177.584 0.058 0.000 1.162 64 A CA 1.349 53.454 52.037 0.113 0.000 0.662 64 A CB 0.041 19.206 19.000 0.275 0.000 0.812 64 A HN 0.454 nan 8.150 nan 0.000 0.450 65 G N -0.432 108.365 108.800 -0.006 0.000 3.504 65 G HA2 0.295 4.255 3.960 -0.000 0.000 0.162 65 G HA3 0.295 4.255 3.960 -0.000 0.000 0.162 65 G C -0.336 174.532 174.900 -0.054 0.000 1.311 65 G CA 0.148 45.224 45.100 -0.040 0.000 1.322 65 G HN 0.621 nan 8.290 nan 0.000 0.738 66 N N 1.958 120.605 118.700 -0.088 0.000 2.513 66 N HA 0.473 5.213 4.740 -0.000 0.000 0.274 66 N C -1.401 174.074 175.510 -0.059 0.000 1.189 66 N CA -1.034 51.974 53.050 -0.070 0.000 0.975 66 N CB 2.229 40.669 38.487 -0.079 0.000 1.157 66 N HN 0.070 nan 8.380 nan 0.000 0.465 67 P HA 0.006 nan 4.420 nan 0.000 0.220 67 P C -0.384 176.902 177.300 -0.025 0.000 1.152 67 P CA 1.176 64.260 63.100 -0.028 0.000 0.812 67 P CB 0.118 31.805 31.700 -0.021 0.000 0.792 68 N N -0.410 118.273 118.700 -0.028 0.000 2.765 68 N HA 0.213 4.953 4.740 -0.000 0.000 0.277 68 N C -2.693 172.805 175.510 -0.020 0.000 1.750 68 N CA -2.373 50.667 53.050 -0.016 0.000 0.827 68 N CB 0.302 38.785 38.487 -0.006 0.000 1.200 68 N HN -0.082 nan 8.380 nan 0.000 0.494 69 P HA 0.186 nan 4.420 nan 0.000 0.271 69 P C -0.058 177.238 177.300 -0.007 0.000 1.233 69 P CA -0.204 62.865 63.100 -0.051 0.000 0.789 69 P CB 1.092 32.745 31.700 -0.079 0.000 0.951 70 I N -1.824 118.743 120.570 -0.004 0.000 3.002 70 I HA 0.688 4.858 4.170 -0.000 0.000 0.310 70 I C -0.416 175.733 176.117 0.053 0.000 1.087 70 I CA -1.571 59.761 61.300 0.054 0.000 1.017 70 I CB 2.285 40.313 38.000 0.047 0.000 1.226 70 I HN 0.099 nan 8.210 nan 0.000 0.443 71 V N 2.222 122.187 119.914 0.086 0.000 2.667 71 V HA 0.893 5.013 4.120 -0.000 0.000 0.308 71 V C -0.042 176.106 176.094 0.090 0.000 1.048 71 V CA -0.553 61.801 62.300 0.090 0.000 0.928 71 V CB 1.171 33.053 31.823 0.098 0.000 1.004 71 V HN 0.885 nan 8.190 nan 0.000 0.444 72 V N -0.151 119.809 119.914 0.076 0.000 3.078 72 V HA 1.147 5.267 4.120 -0.000 0.000 0.311 72 V C 0.098 176.243 176.094 0.085 0.000 1.138 72 V CA 0.243 62.555 62.300 0.020 0.000 1.007 72 V CB 1.222 33.035 31.823 -0.017 0.000 1.045 72 V HN 2.319 nan 8.190 nan 0.000 0.432 73 G N 0.580 109.414 108.800 0.058 0.000 2.350 73 G HA2 0.655 4.615 3.960 -0.000 0.000 0.282 73 G HA3 0.655 4.615 3.960 -0.000 0.000 0.282 73 G C -0.882 174.093 174.900 0.126 0.000 1.314 73 G CA 0.073 45.231 45.100 0.097 0.000 0.915 73 G HN 2.211 nan 8.290 nan 0.000 0.499 74 A N -0.864 122.009 122.820 0.089 0.000 2.371 74 A HA 0.836 5.155 4.320 -0.000 0.000 0.311 74 A C -1.132 176.595 177.584 0.238 0.000 1.068 74 A CA -0.479 51.610 52.037 0.086 0.000 0.744 74 A CB 1.601 20.513 19.000 -0.147 0.000 1.239 74 A HN 1.133 nan 8.150 nan 0.000 0.435 75 L N 2.477 123.836 121.223 0.227 0.000 2.334 75 L HA 0.661 5.001 4.340 -0.000 0.000 0.272 75 L C -2.177 174.798 176.870 0.175 0.000 1.020 75 L CA -1.877 53.065 54.840 0.169 0.000 0.812 75 L CB 1.130 43.147 42.059 -0.072 0.000 1.264 75 L HN 0.429 nan 8.230 nan 0.000 0.439 76 P HA 0.145 nan 4.420 nan 0.000 0.276 76 P C 0.649 177.977 177.300 0.046 0.000 1.252 76 P CA -0.421 62.585 63.100 -0.158 0.000 0.802 76 P CB 0.520 32.006 31.700 -0.357 0.000 1.035 77 F N 0.727 120.653 119.950 -0.040 0.000 2.065 77 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 77 F C 0.808 176.616 175.800 0.013 0.000 1.112 77 F CA 1.526 59.546 58.000 0.034 0.000 1.212 77 F CB -0.438 38.532 39.000 -0.050 0.000 0.975 77 F HN 0.193 nan 8.300 nan 0.000 0.476 78 D N 0.797 121.078 120.400 -0.198 0.000 2.338 78 D HA 0.038 4.678 4.640 -0.000 0.000 0.255 78 D C 1.131 177.279 176.300 -0.252 0.000 1.237 78 D CA 0.089 53.880 54.000 -0.348 0.000 0.883 78 D CB 0.685 41.405 40.800 -0.133 0.000 1.087 78 D HN 0.295 nan 8.370 nan 0.000 0.485 79 R N 2.574 122.897 120.500 -0.295 0.000 2.293 79 R HA -0.063 4.277 4.340 -0.000 0.000 0.219 79 R C 1.597 177.788 176.300 -0.182 0.000 1.091 79 R CA 0.909 56.894 56.100 -0.191 0.000 1.004 79 R CB 0.290 30.468 30.300 -0.204 0.000 0.865 79 R HN 0.379 nan 8.270 nan 0.000 0.469 80 R N 0.098 120.482 120.500 -0.193 0.000 2.254 80 R HA 0.071 4.411 4.340 -0.000 0.000 0.195 80 R C 0.299 176.457 176.300 -0.237 0.000 0.957 80 R CA 0.254 56.238 56.100 -0.193 0.000 1.024 80 R CB 0.258 30.464 30.300 -0.156 0.000 0.952 80 R HN 0.038 nan 8.270 nan 0.000 0.484 81 K N 1.432 121.706 120.400 -0.211 0.000 2.276 81 K HA 0.001 4.321 4.320 -0.000 0.000 0.259 81 K C -0.085 176.359 176.600 -0.261 0.000 1.001 81 K CA 0.102 56.257 56.287 -0.219 0.000 0.927 81 K CB 0.451 32.843 32.500 -0.181 0.000 0.969 81 K HN 0.021 nan 8.250 nan 0.000 0.490 82 E N 0.850 120.899 120.200 -0.251 0.000 2.442 82 E HA 0.004 4.353 4.350 -0.000 0.000 0.262 82 E C -0.503 175.970 176.600 -0.211 0.000 1.004 82 E CA -0.211 56.048 56.400 -0.235 0.000 0.928 82 E CB 0.693 30.306 29.700 -0.145 0.000 0.937 82 E HN 0.308 nan 8.360 nan 0.000 0.446 83 V N 0.533 120.264 119.914 -0.305 0.000 2.815 83 V HA 0.594 4.714 4.120 -0.000 0.000 0.314 83 V C -0.681 175.203 176.094 -0.351 0.000 1.064 83 V CA -0.840 61.234 62.300 -0.378 0.000 0.952 83 V CB 1.795 33.223 31.823 -0.659 0.000 1.020 83 V HN 0.727 nan 8.190 nan 0.000 0.439 84 Q N 2.239 121.981 119.800 -0.097 0.000 2.309 84 Q HA 0.774 5.114 4.340 -0.000 0.000 0.273 84 Q C -2.178 173.981 176.000 0.266 0.000 1.040 84 Q CA -0.657 55.216 55.803 0.116 0.000 0.834 84 Q CB 2.604 31.413 28.738 0.117 0.000 1.345 84 Q HN 0.952 nan 8.270 nan 0.000 0.414 85 L N 2.917 124.355 121.223 0.358 0.000 2.403 85 L HA 0.672 5.012 4.340 -0.000 0.000 0.253 85 L C -0.973 176.017 176.870 0.200 0.000 1.045 85 L CA -1.054 53.955 54.840 0.282 0.000 0.845 85 L CB 2.488 44.737 42.059 0.317 0.000 1.447 85 L HN 0.615 nan 8.230 nan 0.000 0.411 86 I N 0.834 121.496 120.570 0.154 0.000 2.498 86 I HA 0.333 4.503 4.170 -0.000 0.000 0.290 86 I C -0.813 175.372 176.117 0.114 0.000 1.032 86 I CA -0.778 60.598 61.300 0.127 0.000 1.073 86 I CB 2.457 40.520 38.000 0.104 0.000 1.251 86 I HN 0.115 nan 8.210 nan 0.000 0.426 87 V N 8.685 128.679 119.914 0.133 0.000 2.385 87 V HA 0.259 4.379 4.120 -0.000 0.000 0.269 87 V C -1.975 174.199 176.094 0.135 0.000 1.043 87 V CA -1.475 60.900 62.300 0.125 0.000 0.906 87 V CB 0.736 32.666 31.823 0.180 0.000 0.995 87 V HN 0.524 nan 8.190 nan 0.000 0.467 88 P HA 0.234 nan 4.420 nan 0.000 0.274 88 P C 0.623 177.963 177.300 0.068 0.000 1.237 88 P CA -0.273 62.857 63.100 0.050 0.000 0.793 88 P CB 1.444 33.129 31.700 -0.024 0.000 0.977 89 E N 0.238 120.506 120.200 0.113 0.000 2.047 89 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 89 E C 0.048 176.779 176.600 0.217 0.000 0.987 89 E CA 1.433 57.947 56.400 0.190 0.000 0.799 89 E CB -0.086 29.769 29.700 0.259 0.000 0.752 89 E HN 0.607 nan 8.360 nan 0.000 0.449 90 Y N -2.005 118.292 120.300 -0.004 0.000 2.581 90 Y HA 0.514 5.064 4.550 -0.000 0.000 0.337 90 Y C -1.099 174.785 175.900 -0.026 0.000 1.108 90 Y CA -1.411 56.669 58.100 -0.034 0.000 1.033 90 Y CB 1.201 39.643 38.460 -0.029 0.000 1.318 90 Y HN -0.198 nan 8.280 nan 0.000 0.459 91 S N 1.797 117.502 115.700 0.008 0.000 2.532 91 S HA 0.745 5.215 4.470 -0.000 0.000 0.299 91 S C -1.194 173.413 174.600 0.011 0.000 1.105 91 S CA -1.098 57.054 58.200 -0.079 0.000 1.018 91 S CB 1.822 64.959 63.200 -0.104 0.000 1.021 91 S HN 0.809 nan 8.310 nan 0.000 0.483 92 R N 1.641 122.137 120.500 -0.007 0.000 2.407 92 R HA 0.686 5.026 4.340 -0.000 0.000 0.303 92 R C -0.830 175.431 176.300 -0.066 0.000 0.981 92 R CA -0.376 55.730 56.100 0.010 0.000 0.905 92 R CB 1.188 31.523 30.300 0.058 0.000 1.099 92 R HN 0.681 nan 8.270 nan 0.000 0.459 93 I N 1.788 122.308 120.570 -0.084 0.000 2.466 93 I HA 0.314 4.484 4.170 -0.000 0.000 0.289 93 I C -0.070 175.991 176.117 -0.095 0.000 1.026 93 I CA -0.435 60.781 61.300 -0.140 0.000 1.078 93 I CB 1.984 39.860 38.000 -0.207 0.000 1.249 93 I HN 0.724 nan 8.210 nan 0.000 0.429 94 S N 4.363 120.008 115.700 -0.091 0.000 2.841 94 S HA 0.582 5.051 4.470 -0.000 0.000 0.318 94 S C -0.281 174.282 174.600 -0.060 0.000 1.127 94 S CA -0.921 57.244 58.200 -0.058 0.000 0.883 94 S CB 1.723 64.903 63.200 -0.034 0.000 1.271 94 S HN 0.448 nan 8.310 nan 0.000 0.567 95 E N 1.144 121.320 120.200 -0.039 0.000 2.435 95 E HA 0.121 4.471 4.350 -0.000 0.000 0.256 95 E C 0.434 177.006 176.600 -0.046 0.000 1.245 95 E CA -0.192 56.187 56.400 -0.034 0.000 0.989 95 E CB 0.146 29.832 29.700 -0.023 0.000 0.983 95 E HN 0.720 nan 8.360 nan 0.000 0.480 96 R N 0.343 120.816 120.500 -0.045 0.000 2.679 96 R HA 0.110 4.450 4.340 -0.000 0.000 0.268 96 R C 0.166 176.433 176.300 -0.055 0.000 1.044 96 R CA -0.353 55.709 56.100 -0.063 0.000 1.105 96 R CB 0.061 30.321 30.300 -0.066 0.000 0.989 96 R HN 0.337 nan 8.270 nan 0.000 0.447 97 L N 1.993 123.179 121.223 -0.061 0.000 2.514 97 L HA -0.051 4.289 4.340 -0.000 0.000 0.280 97 L C 0.522 177.361 176.870 -0.052 0.000 1.223 97 L CA 0.549 55.365 54.840 -0.040 0.000 0.864 97 L CB 0.469 42.510 42.059 -0.029 0.000 1.118 97 L HN 0.708 nan 8.230 nan 0.000 0.494 98 Q N 4.601 124.377 119.800 -0.040 0.000 2.805 98 Q HA 0.361 4.701 4.340 -0.000 0.000 0.360 98 Q C -0.808 175.166 176.000 -0.043 0.000 0.832 98 Q CA -0.156 55.620 55.803 -0.044 0.000 1.020 98 Q CB 0.978 29.696 28.738 -0.032 0.000 1.444 98 Q HN 0.562 nan 8.270 nan 0.000 0.391 99 L N 0.598 121.789 121.223 -0.053 0.000 2.416 99 L HA 0.377 4.717 4.340 -0.000 0.000 0.272 99 L C 0.734 177.569 176.870 -0.058 0.000 1.161 99 L CA 0.433 55.242 54.840 -0.051 0.000 0.845 99 L CB 0.491 42.514 42.059 -0.059 0.000 1.119 99 L HN 0.392 nan 8.230 nan 0.000 0.464 111 L N 0.920 122.086 121.223 -0.094 0.000 2.370 111 L HA 0.854 5.194 4.340 -0.000 0.000 0.266 111 L C 0.798 177.422 176.870 -0.411 0.000 1.002 111 L CA -0.963 53.703 54.840 -0.291 0.000 0.818 111 L CB 2.541 44.341 42.059 -0.431 0.000 1.325 111 L HN 0.938 nan 8.230 nan 0.000 0.418 112 T N -1.660 112.608 114.554 -0.477 0.000 2.907 112 T HA 0.723 5.073 4.350 -0.000 0.000 0.284 112 T C -0.696 173.607 174.700 -0.662 0.000 1.004 112 T CA -0.432 61.444 62.100 -0.373 0.000 1.063 112 T CB 1.006 69.762 68.868 -0.186 0.000 0.992 112 T HN 0.181 nan 8.240 nan 0.000 0.483 113 F N 0.127 120.050 119.950 -0.044 0.000 2.551 113 F HA 0.603 5.130 4.527 -0.000 0.000 0.316 113 F C 0.508 176.274 175.800 -0.057 0.000 1.089 113 F CA -1.059 56.909 58.000 -0.053 0.000 0.915 113 F CB 2.224 41.186 39.000 -0.063 0.000 1.186 113 F HN 0.744 nan 8.300 nan 0.000 0.456 117 P HA 0.405 nan 4.420 nan 0.000 0.276 117 P C -0.689 176.572 177.300 -0.064 0.000 1.264 117 P CA -0.392 62.654 63.100 -0.089 0.000 0.769 117 P CB 0.597 32.316 31.700 0.032 0.000 0.840 118 V N 7.107 126.944 119.914 -0.128 0.000 2.304 118 V HA 0.305 4.425 4.120 -0.000 0.000 0.278 118 V C -1.730 174.324 176.094 -0.067 0.000 1.018 118 V CA -1.784 60.468 62.300 -0.079 0.000 0.814 118 V CB 1.312 33.061 31.823 -0.124 0.000 1.021 118 V HN 0.530 nan 8.190 nan 0.000 0.440 119 P HA 0.288 nan 4.420 nan 0.000 0.279 119 P C -0.775 176.586 177.300 0.102 0.000 1.276 119 P CA -0.368 62.805 63.100 0.121 0.000 0.801 119 P CB 1.005 32.825 31.700 0.199 0.000 1.127 120 D N -1.791 118.684 120.400 0.124 0.000 2.384 120 D HA -0.036 4.603 4.640 -0.000 0.000 0.244 120 D C 1.243 177.689 176.300 0.243 0.000 1.251 120 D CA 0.025 54.130 54.000 0.176 0.000 0.961 120 D CB -0.347 40.528 40.800 0.124 0.000 1.116 120 D HN 0.402 nan 8.370 nan 0.000 0.484 121 H N -0.773 118.342 119.070 0.075 0.000 2.491 121 H HA -0.075 4.481 4.556 -0.000 0.000 0.290 121 H C 1.162 176.580 175.328 0.150 0.000 1.050 121 H CA 0.887 57.004 56.048 0.114 0.000 1.309 121 H CB 0.539 30.346 29.762 0.075 0.000 1.392 121 H HN 0.468 nan 8.280 nan 0.000 0.554 122 E N 0.740 121.075 120.200 0.224 0.000 2.008 122 E HA -0.087 4.263 4.350 -0.000 0.000 0.191 122 E C 2.598 179.280 176.600 0.135 0.000 0.986 122 E CA 0.450 56.940 56.400 0.150 0.000 0.807 122 E CB -0.720 29.041 29.700 0.103 0.000 0.766 122 E HN 0.180 nan 8.360 nan 0.000 0.450 123 V N 1.432 121.427 119.914 0.135 0.000 2.439 123 V HA -0.242 3.878 4.120 -0.000 0.000 0.253 123 V C 1.634 177.811 176.094 0.139 0.000 1.074 123 V CA 1.513 63.885 62.300 0.120 0.000 1.076 123 V CB -0.766 31.132 31.823 0.124 0.000 0.664 123 V HN 0.198 nan 8.190 nan 0.000 0.461 127 G N 1.465 110.214 108.800 -0.085 0.000 2.476 127 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.218 127 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.218 127 G C 1.772 176.574 174.900 -0.163 0.000 1.164 127 G CA 2.273 47.305 45.100 -0.114 0.000 0.768 127 G HN 0.743 nan 8.290 nan 0.000 0.560 128 V N 0.604 120.357 119.914 -0.268 0.000 2.490 128 V HA -0.172 3.948 4.120 -0.000 0.000 0.250 128 V C 2.990 179.015 176.094 -0.115 0.000 1.061 128 V CA 2.150 64.313 62.300 -0.229 0.000 1.064 128 V CB -0.630 31.015 31.823 -0.297 0.000 0.670 128 V HN 0.339 nan 8.190 nan 0.000 0.461 129 K N -0.762 119.586 120.400 -0.088 0.000 2.026 129 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 129 K C 2.208 178.784 176.600 -0.040 0.000 1.048 129 K CA 1.589 57.847 56.287 -0.049 0.000 0.929 129 K CB -0.626 31.855 32.500 -0.032 0.000 0.713 129 K HN 0.724 nan 8.250 nan 0.000 0.439 130 Q N -0.697 119.077 119.800 -0.043 0.000 2.197 130 Q HA -0.115 4.225 4.340 -0.000 0.000 0.207 130 Q C 2.354 178.334 176.000 -0.033 0.000 0.984 130 Q CA 1.647 57.430 55.803 -0.033 0.000 0.869 130 Q CB -0.427 28.292 28.738 -0.032 0.000 0.906 130 Q HN 0.621 nan 8.270 nan 0.000 0.426 131 G N 0.628 109.401 108.800 -0.046 0.000 2.404 131 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.214 131 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.214 131 G C 1.373 176.258 174.900 -0.026 0.000 1.189 131 G CA 0.477 45.554 45.100 -0.037 0.000 0.789 131 G HN 0.218 nan 8.290 nan 0.000 0.533 132 I N 0.802 121.355 120.570 -0.028 0.000 2.163 132 I HA -0.204 3.966 4.170 -0.000 0.000 0.243 132 I C 2.661 178.769 176.117 -0.015 0.000 1.085 132 I CA 1.745 63.034 61.300 -0.018 0.000 1.347 132 I CB -0.255 37.733 38.000 -0.018 0.000 1.044 132 I HN 0.360 nan 8.210 nan 0.000 0.408 133 E N 1.582 121.772 120.200 -0.016 0.000 2.065 133 E HA -0.316 4.033 4.350 -0.000 0.000 0.201 133 E C 2.102 178.696 176.600 -0.011 0.000 1.016 133 E CA 1.892 58.285 56.400 -0.013 0.000 0.818 133 E CB -0.022 29.670 29.700 -0.013 0.000 0.749 133 E HN 0.408 nan 8.360 nan 0.000 0.453 134 K N -0.178 120.215 120.400 -0.012 0.000 2.217 134 K HA -0.027 4.292 4.320 -0.000 0.000 0.202 134 K C 2.154 178.749 176.600 -0.007 0.000 1.051 134 K CA 1.125 57.406 56.287 -0.010 0.000 0.952 134 K CB 0.011 32.504 32.500 -0.011 0.000 0.736 134 K HN 0.300 nan 8.250 nan 0.000 0.453 135 I N 0.957 121.523 120.570 -0.007 0.000 2.500 135 I HA -0.194 3.976 4.170 -0.000 0.000 0.252 135 I C 1.815 177.930 176.117 -0.004 0.000 1.142 135 I CA 1.032 62.330 61.300 -0.003 0.000 1.451 135 I CB -0.074 37.925 38.000 -0.000 0.000 1.093 135 I HN 0.049 nan 8.210 nan 0.000 0.430 136 K N 0.614 121.011 120.400 -0.006 0.000 2.439 136 K HA -0.104 4.216 4.320 -0.000 0.000 0.197 136 K C 0.663 177.259 176.600 -0.006 0.000 1.041 136 K CA 0.817 57.100 56.287 -0.006 0.000 0.970 136 K CB -0.007 32.489 32.500 -0.007 0.000 0.773 136 K HN 0.273 nan 8.250 nan 0.000 0.479 137 D N -0.420 119.976 120.400 -0.006 0.000 2.339 137 D HA 0.046 4.686 4.640 -0.000 0.000 0.217 137 D C 1.039 177.337 176.300 -0.005 0.000 1.050 137 D CA 0.513 54.510 54.000 -0.005 0.000 0.856 137 D CB 0.604 41.401 40.800 -0.006 0.000 0.922 137 D HN 0.298 nan 8.370 nan 0.000 0.518 138 G N 0.237 109.034 108.800 -0.004 0.000 2.162 138 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.260 138 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.260 138 G C 0.945 175.843 174.900 -0.003 0.000 0.976 138 G CA 1.015 46.114 45.100 -0.003 0.000 0.655 138 G HN 0.498 nan 8.290 nan 0.000 0.533 139 D N -0.357 120.041 120.400 -0.004 0.000 2.149 139 D HA 0.508 5.148 4.640 -0.000 0.000 0.201 139 D C 1.312 177.610 176.300 -0.005 0.000 0.972 139 D CA 1.322 55.319 54.000 -0.006 0.000 0.835 139 D CB 0.186 40.982 40.800 -0.007 0.000 0.966 139 D HN 0.606 nan 8.370 nan 0.000 0.476 140 L N -2.849 118.373 121.223 -0.003 0.000 2.309 140 L HA 0.655 4.995 4.340 -0.000 0.000 0.261 140 L C 1.730 178.603 176.870 0.004 0.000 1.021 140 L CA -0.191 54.649 54.840 -0.000 0.000 0.823 140 L CB 2.351 44.410 42.059 -0.001 0.000 1.366 140 L HN 0.164 nan 8.230 nan 0.000 0.423 141 K N 1.007 121.413 120.400 0.009 0.000 2.325 141 K HA 0.215 4.535 4.320 -0.000 0.000 0.203 141 K C 0.483 177.098 176.600 0.026 0.000 1.128 141 K CA 0.590 56.889 56.287 0.019 0.000 0.931 141 K CB 0.418 32.933 32.500 0.025 0.000 1.125 141 K HN 0.445 nan 8.250 nan 0.000 0.487 142 K N 0.246 120.659 120.400 0.022 0.000 2.397 142 K HA 0.681 5.001 4.320 -0.000 0.000 0.253 142 K C -1.789 174.823 176.600 0.020 0.000 0.932 142 K CA -0.730 55.572 56.287 0.026 0.000 0.795 142 K CB 1.423 33.940 32.500 0.028 0.000 1.159 142 K HN 0.312 nan 8.250 nan 0.000 0.424 143 I N 4.603 125.185 120.570 0.021 0.000 2.512 143 I HA 0.417 4.587 4.170 -0.000 0.000 0.287 143 I C -1.391 174.741 176.117 0.025 0.000 1.069 143 I CA -0.976 60.335 61.300 0.019 0.000 1.056 143 I CB 1.717 39.722 38.000 0.007 0.000 1.229 143 I HN 0.396 nan 8.210 nan 0.000 0.429 144 V N 8.074 128.007 119.914 0.031 0.000 2.465 144 V HA 0.423 4.543 4.120 -0.000 0.000 0.279 144 V C -0.024 176.094 176.094 0.041 0.000 1.045 144 V CA -0.284 62.040 62.300 0.041 0.000 0.938 144 V CB 1.316 33.159 31.823 0.033 0.000 0.986 144 V HN 0.533 nan 8.190 nan 0.000 0.467 145 L N 4.777 126.050 121.223 0.084 0.000 2.381 145 L HA 0.765 5.105 4.340 -0.000 0.000 0.268 145 L C -0.087 176.971 176.870 0.313 0.000 0.997 145 L CA -0.117 54.798 54.840 0.126 0.000 0.818 145 L CB 2.409 44.479 42.059 0.019 0.000 1.310 145 L HN 0.822 nan 8.230 nan 0.000 0.416 146 S N 2.620 118.551 115.700 0.385 0.000 2.627 146 S HA 0.884 5.354 4.470 -0.000 0.000 0.283 146 S C -0.970 173.972 174.600 0.570 0.000 1.127 146 S CA -0.935 57.536 58.200 0.451 0.000 0.863 146 S CB 2.715 66.228 63.200 0.522 0.000 1.121 146 S HN 0.768 nan 8.310 nan 0.000 0.479 147 R N -0.327 120.342 120.500 0.281 0.000 2.831 147 R HA 0.850 5.190 4.340 -0.000 0.000 0.266 147 R C -0.853 175.325 176.300 -0.204 0.000 1.051 147 R CA -0.750 55.423 56.100 0.122 0.000 0.943 147 R CB 1.210 31.429 30.300 -0.135 0.000 1.228 147 R HN 0.899 nan 8.270 nan 0.000 0.467 148 S N -0.031 115.374 115.700 -0.491 0.000 2.811 148 S HA 0.760 5.230 4.470 -0.000 0.000 0.311 148 S C -1.124 173.228 174.600 -0.413 0.000 1.152 148 S CA -0.865 57.009 58.200 -0.544 0.000 0.864 148 S CB 1.759 64.318 63.200 -1.068 0.000 1.226 148 S HN 0.487 nan 8.310 nan 0.000 0.541 149 L N 1.637 122.549 121.223 -0.518 0.000 2.680 149 L HA 0.482 4.822 4.340 -0.000 0.000 0.260 149 L C -1.926 174.699 176.870 -0.408 0.000 0.975 149 L CA -0.160 54.374 54.840 -0.511 0.000 0.920 149 L CB 1.483 43.009 42.059 -0.888 0.000 1.234 149 L HN 0.755 nan 8.230 nan 0.000 0.429 150 D N 3.051 123.275 120.400 -0.293 0.000 2.304 150 D HA 0.461 5.101 4.640 -0.000 0.000 0.250 150 D C -0.557 175.644 176.300 -0.164 0.000 1.107 150 D CA 0.214 54.087 54.000 -0.213 0.000 0.885 150 D CB 2.298 43.008 40.800 -0.151 0.000 1.192 150 D HN 0.203 nan 8.370 nan 0.000 0.436 151 V N 1.937 121.778 119.914 -0.122 0.000 2.443 151 V HA 0.486 4.605 4.120 -0.000 0.000 0.293 151 V C 0.509 176.612 176.094 0.016 0.000 1.021 151 V CA -0.860 61.407 62.300 -0.056 0.000 0.848 151 V CB 1.294 33.069 31.823 -0.080 0.000 0.998 151 V HN 0.578 nan 8.190 nan 0.000 0.424 152 K N 1.899 122.319 120.400 0.033 0.000 2.156 152 K HA 0.820 5.140 4.320 -0.000 0.000 0.271 152 K C 0.048 176.687 176.600 0.064 0.000 0.995 152 K CA -0.214 56.093 56.287 0.034 0.000 0.890 152 K CB 1.754 34.253 32.500 -0.001 0.000 1.073 152 K HN 0.777 nan 8.250 nan 0.000 0.454 153 S N 0.185 115.901 115.700 0.028 0.000 2.578 153 S HA 0.417 4.886 4.470 -0.000 0.000 0.301 153 S C 1.349 175.848 174.600 -0.169 0.000 1.091 153 S CA 0.170 58.298 58.200 -0.119 0.000 1.032 153 S CB 1.268 64.447 63.200 -0.035 0.000 1.064 153 S HN 1.009 nan 8.310 nan 0.000 0.508 154 S N 2.633 118.166 115.700 -0.279 0.000 2.428 154 S HA 0.215 4.685 4.470 -0.000 0.000 0.230 154 S C 0.976 175.494 174.600 -0.137 0.000 1.014 154 S CA 0.364 58.452 58.200 -0.186 0.000 0.957 154 S CB -0.608 62.471 63.200 -0.201 0.000 0.784 154 S HN 0.974 nan 8.310 nan 0.000 0.499 155 G N 0.392 109.102 108.800 -0.150 0.000 2.568 155 G HA2 0.524 4.484 3.960 -0.000 0.000 0.313 155 G HA3 0.524 4.484 3.960 -0.000 0.000 0.313 155 G C -1.219 173.654 174.900 -0.044 0.000 1.227 155 G CA -1.153 43.896 45.100 -0.085 0.000 0.979 155 G HN 0.243 nan 8.290 nan 0.000 0.486 156 K N 0.333 120.721 120.400 -0.021 0.000 2.472 156 K HA 0.063 4.383 4.320 -0.000 0.000 0.280 156 K C 0.039 176.651 176.600 0.019 0.000 1.028 156 K CA -0.071 56.218 56.287 0.003 0.000 1.045 156 K CB 0.060 32.562 32.500 0.003 0.000 0.902 156 K HN 0.258 nan 8.250 nan 0.000 0.478 157 I N 4.035 124.631 120.570 0.042 0.000 2.587 157 I HA -0.103 4.067 4.170 -0.000 0.000 0.284 157 I C 0.618 176.765 176.117 0.050 0.000 1.134 157 I CA 0.189 61.528 61.300 0.065 0.000 1.410 157 I CB 0.433 38.482 38.000 0.081 0.000 1.392 157 I HN 0.560 nan 8.210 nan 0.000 0.545 158 D N 7.315 127.743 120.400 0.046 0.000 2.367 158 D HA 0.013 4.653 4.640 -0.000 0.000 0.255 158 D C 0.994 177.320 176.300 0.044 0.000 1.300 158 D CA 0.219 54.242 54.000 0.038 0.000 0.959 158 D CB 0.644 41.461 40.800 0.027 0.000 1.064 158 D HN 0.428 nan 8.370 nan 0.000 0.509 159 K N 2.180 122.620 120.400 0.068 0.000 2.057 159 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 159 K C 1.785 178.440 176.600 0.091 0.000 1.049 159 K CA 0.739 57.085 56.287 0.098 0.000 0.931 159 K CB 0.083 32.695 32.500 0.186 0.000 0.714 159 K HN 0.392 nan 8.250 nan 0.000 0.440 160 Q N 1.683 121.565 119.800 0.138 0.000 2.061 160 Q HA -0.189 4.150 4.340 -0.000 0.000 0.204 160 Q C 1.784 177.773 176.000 -0.018 0.000 0.984 160 Q CA 1.744 57.614 55.803 0.112 0.000 0.846 160 Q CB 0.075 28.878 28.738 0.108 0.000 0.902 160 Q HN 0.249 nan 8.270 nan 0.000 0.421 161 K N 0.009 120.404 120.400 -0.007 0.000 2.097 161 K HA -0.131 4.188 4.320 -0.000 0.000 0.205 161 K C 2.186 178.758 176.600 -0.046 0.000 1.050 161 K CA 0.792 57.065 56.287 -0.024 0.000 0.938 161 K CB -0.163 32.334 32.500 -0.004 0.000 0.718 161 K HN 0.117 nan 8.250 nan 0.000 0.442 162 L N 1.376 122.572 121.223 -0.045 0.000 2.046 162 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 162 L C 2.035 178.831 176.870 -0.124 0.000 1.077 162 L CA 1.360 56.157 54.840 -0.070 0.000 0.747 162 L CB -0.493 41.535 42.059 -0.052 0.000 0.896 162 L HN 0.062 nan 8.230 nan 0.000 0.432 163 L N -0.125 120.990 121.223 -0.180 0.000 2.046 163 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 163 L C 2.801 179.529 176.870 -0.238 0.000 1.077 163 L CA 2.051 56.715 54.840 -0.294 0.000 0.747 163 L CB -0.732 41.004 42.059 -0.539 0.000 0.896 163 L HN 0.397 nan 8.230 nan 0.000 0.432 164 R N -0.864 119.528 120.500 -0.181 0.000 2.081 164 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 164 R C 2.074 178.341 176.300 -0.054 0.000 1.131 164 R CA 1.398 57.426 56.100 -0.121 0.000 0.960 164 R CB -0.184 30.065 30.300 -0.085 0.000 0.856 164 R HN 0.362 nan 8.270 nan 0.000 0.436 165 E N 0.888 121.066 120.200 -0.036 0.000 2.085 165 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 165 E C 2.132 178.764 176.600 0.053 0.000 0.994 165 E CA 1.162 57.578 56.400 0.028 0.000 0.801 165 E CB -0.238 29.439 29.700 -0.038 0.000 0.743 165 E HN 0.409 nan 8.360 nan 0.000 0.453 166 L N 0.396 121.592 121.223 -0.044 0.000 2.017 166 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 166 L C 2.546 179.403 176.870 -0.022 0.000 1.073 166 L CA 1.351 56.158 54.840 -0.054 0.000 0.745 166 L CB -0.468 41.511 42.059 -0.134 0.000 0.894 166 L HN 0.072 nan 8.230 nan 0.000 0.432 167 A N -0.446 122.346 122.820 -0.047 0.000 1.898 167 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 167 A C 2.159 179.713 177.584 -0.050 0.000 1.181 167 A CA 1.604 53.615 52.037 -0.043 0.000 0.620 167 A CB -0.457 18.524 19.000 -0.031 0.000 0.819 167 A HN 0.430 nan 8.150 nan 0.000 0.442 168 E N -0.996 119.183 120.200 -0.036 0.000 2.204 168 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 168 E C 0.892 177.332 176.600 -0.268 0.000 0.990 168 E CA 0.968 57.291 56.400 -0.128 0.000 0.821 168 E CB -0.131 29.499 29.700 -0.116 0.000 0.750 168 E HN 0.737 nan 8.360 nan 0.000 0.477 169 H N -1.022 118.004 119.070 -0.075 0.000 2.505 169 H HA 0.149 4.705 4.556 -0.000 0.000 0.286 169 H C 0.046 175.332 175.328 -0.069 0.000 1.072 169 H CA 0.067 56.075 56.048 -0.066 0.000 1.141 169 H CB 0.281 30.010 29.762 -0.055 0.000 1.550 169 H HN -0.018 nan 8.280 nan 0.000 0.547 170 N N 0.949 119.632 118.700 -0.028 0.000 2.733 170 N HA 0.074 4.814 4.740 -0.000 0.000 0.271 170 N C 0.539 175.950 175.510 -0.165 0.000 1.720 170 N CA -0.243 52.772 53.050 -0.059 0.000 0.803 170 N CB 0.516 38.987 38.487 -0.026 0.000 1.208 170 N HN -0.083 nan 8.380 nan 0.000 0.498 171 K N -0.431 119.798 120.400 -0.285 0.000 2.103 171 K HA -0.072 4.248 4.320 -0.000 0.000 0.207 171 K C 0.602 176.858 176.600 -0.573 0.000 1.048 171 K CA 1.268 57.261 56.287 -0.491 0.000 0.930 171 K CB 0.004 32.062 32.500 -0.738 0.000 0.716 171 K HN 0.488 nan 8.250 nan 0.000 0.444 172 H N -1.302 117.708 119.070 -0.100 0.000 2.586 172 H HA 0.228 4.783 4.556 -0.000 0.000 0.273 172 H C 1.023 176.243 175.328 -0.180 0.000 0.997 172 H CA 0.377 56.344 56.048 -0.135 0.000 1.177 172 H CB 0.568 30.256 29.762 -0.123 0.000 1.471 172 H HN 0.215 nan 8.280 nan 0.000 0.538 173 G N -0.508 108.226 108.800 -0.110 0.000 3.039 173 G HA2 0.404 4.364 3.960 -0.000 0.000 0.159 173 G HA3 0.404 4.364 3.960 -0.000 0.000 0.159 173 G C -1.358 173.347 174.900 -0.324 0.000 1.284 173 G CA -0.491 44.562 45.100 -0.078 0.000 0.996 173 G HN 0.143 nan 8.290 nan 0.000 0.592 174 Y N -0.062 120.223 120.300 -0.025 0.000 2.327 174 Y HA 0.451 5.001 4.550 -0.000 0.000 0.325 174 Y C -0.033 175.851 175.900 -0.026 0.000 0.999 174 Y CA -0.652 57.368 58.100 -0.133 0.000 1.195 174 Y CB 2.219 40.614 38.460 -0.108 0.000 1.132 174 Y HN 0.260 nan 8.280 nan 0.000 0.455 175 T N 5.387 119.924 114.554 -0.027 0.000 2.795 175 T HA 0.633 4.982 4.350 -0.000 0.000 0.282 175 T C -0.853 173.898 174.700 0.085 0.000 0.980 175 T CA -0.470 61.610 62.100 -0.034 0.000 1.012 175 T CB 0.183 69.040 68.868 -0.018 0.000 0.936 175 T HN 0.429 nan 8.240 nan 0.000 0.457 176 F N 0.025 120.041 119.950 0.111 0.000 2.613 176 F HA 0.878 5.405 4.527 -0.000 0.000 0.310 176 F C -0.955 174.929 175.800 0.140 0.000 1.085 176 F CA -1.820 56.296 58.000 0.192 0.000 0.945 176 F CB 1.126 40.263 39.000 0.227 0.000 1.298 176 F HN 0.626 nan 8.300 nan 0.000 0.455 177 A N 2.161 125.192 122.820 0.352 0.000 2.353 177 A HA 0.785 5.105 4.320 -0.000 0.000 0.299 177 A C -1.912 175.860 177.584 0.312 0.000 1.089 177 A CA -0.807 51.344 52.037 0.189 0.000 0.736 177 A CB 1.429 20.272 19.000 -0.262 0.000 1.195 177 A HN 0.858 nan 8.150 nan 0.000 0.447 178 V N 2.681 122.763 119.914 0.281 0.000 2.531 178 V HA 0.301 4.421 4.120 -0.000 0.000 0.301 178 V C -0.043 176.126 176.094 0.125 0.000 1.034 178 V CA -0.916 61.492 62.300 0.181 0.000 0.865 178 V CB 1.775 33.650 31.823 0.086 0.000 0.995 178 V HN 0.934 nan 8.190 nan 0.000 0.424 179 N N 4.407 123.178 118.700 0.118 0.000 2.468 179 N HA 0.295 5.034 4.740 -0.000 0.000 0.265 179 N C -0.818 174.702 175.510 0.017 0.000 1.199 179 N CA 0.261 53.359 53.050 0.082 0.000 0.928 179 N CB 0.375 38.910 38.487 0.080 0.000 1.059 179 N HN 0.647 nan 8.380 nan 0.000 0.467 180 L N 4.230 125.456 121.223 0.005 0.000 2.334 180 L HA 0.530 4.870 4.340 -0.000 0.000 0.272 180 L C -1.851 175.044 176.870 0.042 0.000 1.020 180 L CA -2.282 52.533 54.840 -0.042 0.000 0.812 180 L CB 1.511 43.533 42.059 -0.062 0.000 1.264 180 L HN 0.452 nan 8.230 nan 0.000 0.439 181 P HA -0.014 nan 4.420 nan 0.000 0.258 181 P C -0.797 176.566 177.300 0.106 0.000 1.172 181 P CA 0.405 63.567 63.100 0.104 0.000 0.762 181 P CB 0.232 32.020 31.700 0.146 0.000 0.764 182 K N 2.532 122.982 120.400 0.083 0.000 2.180 182 K HA 0.161 4.481 4.320 -0.000 0.000 0.251 182 K C 0.280 176.927 176.600 0.079 0.000 1.014 182 K CA -0.412 55.921 56.287 0.077 0.000 0.913 182 K CB 0.380 32.916 32.500 0.060 0.000 1.008 182 K HN 0.421 nan 8.250 nan 0.000 0.490 187 N N 0.597 119.317 118.700 0.034 0.000 2.399 187 N HA 0.342 5.082 4.740 -0.000 0.000 0.250 187 N C 0.428 175.963 175.510 0.042 0.000 1.272 187 N CA 0.534 53.604 53.050 0.034 0.000 0.928 187 N CB 1.274 39.780 38.487 0.032 0.000 1.158 187 N HN 0.843 nan 8.380 nan 0.000 0.463 188 S N -0.078 115.646 115.700 0.040 0.000 2.549 188 S HA 0.064 4.534 4.470 -0.000 0.000 0.283 188 S C 0.039 174.677 174.600 0.062 0.000 1.320 188 S CA -0.275 57.953 58.200 0.047 0.000 1.058 188 S CB 0.543 63.766 63.200 0.038 0.000 0.882 188 S HN 0.465 nan 8.310 nan 0.000 0.498 189 K N 2.528 122.971 120.400 0.072 0.000 2.358 189 K HA 0.405 4.725 4.320 -0.000 0.000 0.260 189 K C -1.218 175.437 176.600 0.092 0.000 0.956 189 K CA -0.408 55.932 56.287 0.088 0.000 0.834 189 K CB 1.221 33.780 32.500 0.099 0.000 1.102 189 K HN 0.779 nan 8.250 nan 0.000 0.431 190 T N 4.269 118.888 114.554 0.110 0.000 2.812 190 T HA 0.266 4.616 4.350 -0.000 0.000 0.282 190 T C -1.050 173.737 174.700 0.145 0.000 0.990 190 T CA -0.675 61.502 62.100 0.129 0.000 0.960 190 T CB 1.078 70.041 68.868 0.158 0.000 0.948 190 T HN 0.444 nan 8.240 nan 0.000 0.438 191 L N 4.711 126.026 121.223 0.153 0.000 2.276 191 L HA 0.750 5.089 4.340 -0.000 0.000 0.286 191 L C -0.867 176.199 176.870 0.326 0.000 1.061 191 L CA -0.360 54.620 54.840 0.233 0.000 0.807 191 L CB 0.303 42.466 42.059 0.173 0.000 1.177 191 L HN 0.723 nan 8.230 nan 0.000 0.429 192 I N 4.298 125.026 120.570 0.263 0.000 2.686 192 I HA 0.878 5.048 4.170 -0.000 0.000 0.295 192 I C -0.278 175.669 176.117 -0.284 0.000 1.114 192 I CA -0.069 61.218 61.300 -0.021 0.000 1.038 192 I CB 1.992 39.961 38.000 -0.053 0.000 1.238 192 I HN 0.741 nan 8.210 nan 0.000 0.420 193 G N 4.295 112.436 108.800 -1.099 0.000 2.342 193 G HA2 0.660 4.620 3.960 -0.000 0.000 0.297 193 G HA3 0.660 4.620 3.960 -0.000 0.000 0.297 193 G C -2.170 172.177 174.900 -0.922 0.000 1.313 193 G CA -0.057 44.517 45.100 -0.876 0.000 0.830 193 G HN 0.889 nan 8.290 nan 0.000 0.506 194 A N -0.034 122.617 122.820 -0.282 0.000 2.651 194 A HA 0.759 5.078 4.320 -0.000 0.000 0.290 194 A C -0.193 177.488 177.584 0.161 0.000 1.185 194 A CA 0.387 52.389 52.037 -0.058 0.000 0.746 194 A CB 0.942 19.909 19.000 -0.055 0.000 1.213 194 A HN 1.780 nan 8.150 nan 0.000 0.429 195 S N 3.105 119.010 115.700 0.343 0.000 2.541 195 S HA 0.674 5.144 4.470 -0.000 0.000 0.283 195 S C -1.767 173.006 174.600 0.288 0.000 1.196 195 S CA -1.434 56.959 58.200 0.322 0.000 1.062 195 S CB 1.099 64.508 63.200 0.348 0.000 1.009 195 S HN 0.458 nan 8.310 nan 0.000 0.502 196 P HA 0.195 nan 4.420 nan 0.000 0.261 196 P C -0.298 177.116 177.300 0.190 0.000 1.268 196 P CA 0.228 63.449 63.100 0.201 0.000 0.833 196 P CB 0.066 31.851 31.700 0.141 0.000 1.231 197 E N 0.717 120.987 120.200 0.118 0.000 2.145 197 E HA 0.321 4.671 4.350 -0.000 0.000 0.262 197 E C -1.101 175.441 176.600 -0.096 0.000 0.883 197 E CA -1.118 55.297 56.400 0.024 0.000 0.748 197 E CB 0.847 30.530 29.700 -0.029 0.000 1.140 197 E HN -0.129 nan 8.360 nan 0.000 0.417 198 L N 5.762 126.920 121.223 -0.110 0.000 2.361 198 L HA 0.113 4.453 4.340 -0.000 0.000 0.278 198 L C 0.420 177.238 176.870 -0.087 0.000 1.113 198 L CA 0.146 54.851 54.840 -0.224 0.000 0.849 198 L CB 0.874 42.881 42.059 -0.086 0.000 1.155 198 L HN 0.774 nan 8.230 nan 0.000 0.452 199 L N 5.800 126.978 121.223 -0.075 0.000 2.023 199 L HA 0.223 4.563 4.340 -0.000 0.000 0.205 199 L C 0.290 177.153 176.870 -0.011 0.000 1.073 199 L CA 1.434 56.261 54.840 -0.021 0.000 0.745 199 L CB 0.261 42.323 42.059 0.006 0.000 0.900 199 L HN 0.476 nan 8.230 nan 0.000 0.435 200 V N -0.993 118.925 119.914 0.006 0.000 3.098 200 V HA 0.575 4.695 4.120 -0.000 0.000 0.294 200 V C -1.313 174.788 176.094 0.011 0.000 1.351 200 V CA 0.030 62.334 62.300 0.006 0.000 0.999 200 V CB 2.231 34.040 31.823 -0.023 0.000 1.104 200 V HN 0.444 nan 8.190 nan 0.000 0.438 201 S N 6.053 121.753 115.700 -0.001 0.000 2.599 201 S HA 0.855 5.325 4.470 -0.000 0.000 0.294 201 S C -0.880 173.712 174.600 -0.015 0.000 1.094 201 S CA -0.879 57.306 58.200 -0.025 0.000 0.931 201 S CB 2.354 65.571 63.200 0.027 0.000 1.093 201 S HN 1.018 nan 8.310 nan 0.000 0.488 202 R N 0.561 121.038 120.500 -0.039 0.000 2.628 202 R HA 0.457 4.797 4.340 -0.000 0.000 0.288 202 R C -2.065 174.270 176.300 0.059 0.000 0.980 202 R CA -0.468 55.630 56.100 -0.004 0.000 0.891 202 R CB 1.512 31.780 30.300 -0.054 0.000 1.188 202 R HN 1.017 nan 8.270 nan 0.000 0.450 203 H N 2.815 121.884 119.070 -0.001 0.000 3.172 203 H HA 0.373 4.929 4.556 -0.000 0.000 0.322 203 H C -0.034 175.310 175.328 0.028 0.000 1.003 203 H CA 0.797 56.863 56.048 0.029 0.000 1.466 203 H CB 1.278 31.069 29.762 0.047 0.000 1.673 203 H HN 1.042 nan 8.280 nan 0.000 0.512 207 V N 5.054 124.994 119.914 0.044 0.000 2.628 207 V HA 0.687 4.807 4.120 -0.000 0.000 0.306 207 V C -0.222 175.894 176.094 0.038 0.000 1.045 207 V CA -0.476 61.839 62.300 0.025 0.000 0.905 207 V CB 1.858 33.681 31.823 -0.000 0.000 0.997 207 V HN 0.667 nan 8.190 nan 0.000 0.436 208 I N 2.731 123.319 120.570 0.031 0.000 2.619 208 I HA 0.530 4.699 4.170 -0.000 0.000 0.292 208 I C -0.505 175.630 176.117 0.029 0.000 1.100 208 I CA -0.264 61.060 61.300 0.040 0.000 1.043 208 I CB 2.326 40.356 38.000 0.050 0.000 1.239 208 I HN 0.619 nan 8.210 nan 0.000 0.420 209 S N 4.570 120.288 115.700 0.030 0.000 2.542 209 S HA 0.442 4.911 4.470 -0.000 0.000 0.293 209 S C -0.866 173.753 174.600 0.032 0.000 1.089 209 S CA -0.646 57.565 58.200 0.018 0.000 0.961 209 S CB 1.642 64.843 63.200 0.003 0.000 1.062 209 S HN 0.757 nan 8.310 nan 0.000 0.483 210 N N 3.724 122.442 118.700 0.031 0.000 2.844 210 N HA 0.312 5.052 4.740 -0.000 0.000 0.268 210 N C -2.752 172.781 175.510 0.037 0.000 1.574 210 N CA -1.843 51.237 53.050 0.050 0.000 0.838 210 N CB 0.869 39.401 38.487 0.076 0.000 1.177 210 N HN 0.395 nan 8.380 nan 0.000 0.495 211 P HA 0.040 nan 4.420 nan 0.000 0.265 211 P C -0.760 176.573 177.300 0.054 0.000 1.193 211 P CA 0.256 63.347 63.100 -0.015 0.000 0.765 211 P CB 1.219 32.862 31.700 -0.095 0.000 0.823 212 L N 2.506 123.754 121.223 0.042 0.000 2.356 212 L HA 0.770 5.110 4.340 -0.000 0.000 0.277 212 L C -0.028 176.908 176.870 0.111 0.000 0.996 212 L CA -0.743 54.161 54.840 0.107 0.000 0.822 212 L CB 2.005 44.026 42.059 -0.064 0.000 1.256 212 L HN 0.420 nan 8.230 nan 0.000 0.413 213 A N 2.489 125.468 122.820 0.265 0.000 2.491 213 A HA 0.804 5.123 4.320 -0.000 0.000 0.293 213 A C -0.256 177.509 177.584 0.302 0.000 1.047 213 A CA 0.002 52.171 52.037 0.219 0.000 0.735 213 A CB 1.691 20.761 19.000 0.115 0.000 1.281 213 A HN 1.019 nan 8.150 nan 0.000 0.398 214 G N 1.306 110.245 108.800 0.232 0.000 3.444 214 G HA2 0.552 4.512 3.960 -0.000 0.000 0.685 214 G HA3 0.552 4.512 3.960 -0.000 0.000 0.685 214 G C -0.545 174.494 174.900 0.232 0.000 1.145 214 G CA -0.013 45.205 45.100 0.197 0.000 0.973 214 G HN 2.355 nan 8.290 nan 0.000 0.525 215 S N 1.989 117.798 115.700 0.182 0.000 2.579 215 S HA 0.948 5.418 4.470 -0.000 0.000 0.272 215 S C -0.755 173.906 174.600 0.102 0.000 1.141 215 S CA -1.304 56.982 58.200 0.144 0.000 0.843 215 S CB 2.769 66.065 63.200 0.160 0.000 1.122 215 S HN 0.928 nan 8.310 nan 0.000 0.468 216 R N 0.534 121.099 120.500 0.108 0.000 2.698 216 R HA 0.651 4.991 4.340 -0.000 0.000 0.275 216 R C -3.267 173.121 176.300 0.146 0.000 1.001 216 R CA -2.121 54.060 56.100 0.135 0.000 0.896 216 R CB 1.552 31.950 30.300 0.163 0.000 1.218 216 R HN 0.492 nan 8.270 nan 0.000 0.462 217 P HA 0.216 nan 4.420 nan 0.000 0.275 217 P C -0.329 177.038 177.300 0.111 0.000 1.228 217 P CA -0.504 62.632 63.100 0.061 0.000 0.786 217 P CB 0.623 32.352 31.700 0.049 0.000 0.927 218 R N 0.828 121.305 120.500 -0.039 0.000 2.784 218 R HA 0.303 4.643 4.340 -0.000 0.000 0.266 218 R C 0.639 176.961 176.300 0.037 0.000 1.044 218 R CA 0.122 56.180 56.100 -0.070 0.000 1.151 218 R CB -0.261 29.888 30.300 -0.251 0.000 1.037 218 R HN 0.506 nan 8.270 nan 0.000 0.478 219 S N -0.374 115.373 115.700 0.078 0.000 2.536 219 S HA 0.202 4.672 4.470 -0.000 0.000 0.298 219 S C 0.125 174.745 174.600 0.034 0.000 1.083 219 S CA -0.794 57.442 58.200 0.061 0.000 0.995 219 S CB 1.269 64.520 63.200 0.086 0.000 1.058 219 S HN 0.417 nan 8.310 nan 0.000 0.488 220 D N 1.442 121.854 120.400 0.019 0.000 2.312 220 D HA 0.005 4.645 4.640 -0.000 0.000 0.211 220 D C 0.039 176.350 176.300 0.019 0.000 0.964 220 D CA 0.717 54.723 54.000 0.011 0.000 0.877 220 D CB -0.007 40.796 40.800 0.006 0.000 0.924 220 D HN 0.624 nan 8.370 nan 0.000 0.515 221 D N 1.210 121.627 120.400 0.028 0.000 2.352 221 D HA 0.022 4.662 4.640 -0.000 0.000 0.245 221 D C -1.532 174.793 176.300 0.041 0.000 1.224 221 D CA -1.960 52.057 54.000 0.029 0.000 0.879 221 D CB 1.672 42.488 40.800 0.027 0.000 1.057 221 D HN -0.041 nan 8.370 nan 0.000 0.491 222 P HA -0.154 nan 4.420 nan 0.000 0.219 222 P C 1.550 178.880 177.300 0.050 0.000 1.146 222 P CA 0.422 63.551 63.100 0.048 0.000 0.808 222 P CB 0.498 32.217 31.700 0.032 0.000 0.779 223 V N 0.584 120.518 119.914 0.033 0.000 2.323 223 V HA -0.177 3.943 4.120 -0.000 0.000 0.244 223 V C 2.789 178.896 176.094 0.022 0.000 1.041 223 V CA 2.116 64.429 62.300 0.021 0.000 1.025 223 V CB -1.175 30.655 31.823 0.012 0.000 0.656 223 V HN 0.136 nan 8.190 nan 0.000 0.451 224 E N 0.710 120.930 120.200 0.032 0.000 2.110 224 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 224 E C 1.778 178.416 176.600 0.064 0.000 0.988 224 E CA 1.728 58.150 56.400 0.036 0.000 0.804 224 E CB -0.436 29.288 29.700 0.040 0.000 0.745 224 E HN 0.593 nan 8.360 nan 0.000 0.458 225 D N -0.006 120.461 120.400 0.113 0.000 2.106 225 D HA -0.172 4.468 4.640 -0.000 0.000 0.191 225 D C 1.674 178.074 176.300 0.167 0.000 0.997 225 D CA 1.437 55.584 54.000 0.245 0.000 0.834 225 D CB 0.046 40.998 40.800 0.253 0.000 0.956 225 D HN 0.065 nan 8.370 nan 0.000 0.448 226 K N 0.041 120.477 120.400 0.061 0.000 2.097 226 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 226 K C 2.310 178.811 176.600 -0.166 0.000 1.049 226 K CA 0.495 56.736 56.287 -0.076 0.000 0.933 226 K CB -0.178 32.303 32.500 -0.031 0.000 0.717 226 K HN 0.185 nan 8.250 nan 0.000 0.442 227 R N 1.369 121.814 120.500 -0.092 0.000 2.081 227 R HA -0.095 4.245 4.340 -0.000 0.000 0.235 227 R C 2.194 178.406 176.300 -0.147 0.000 1.131 227 R CA 1.235 57.276 56.100 -0.097 0.000 0.960 227 R CB 0.041 30.314 30.300 -0.045 0.000 0.856 227 R HN 0.098 nan 8.270 nan 0.000 0.436 228 R N -0.140 120.271 120.500 -0.148 0.000 2.075 228 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 228 R C 2.364 178.429 176.300 -0.391 0.000 1.126 228 R CA 1.314 57.312 56.100 -0.169 0.000 0.963 228 R CB -0.343 29.945 30.300 -0.019 0.000 0.858 228 R HN 0.242 nan 8.270 nan 0.000 0.435 229 A N 1.050 123.376 122.820 -0.823 0.000 1.908 229 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 229 A C 1.993 179.270 177.584 -0.512 0.000 1.181 229 A CA 1.708 53.088 52.037 -1.094 0.000 0.627 229 A CB -0.328 17.613 19.000 -1.766 0.000 0.818 229 A HN 0.202 nan 8.150 nan 0.000 0.445 230 E N -0.454 119.527 120.200 -0.365 0.000 2.152 230 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 230 E C 1.989 178.497 176.600 -0.153 0.000 0.983 230 E CA 1.152 57.422 56.400 -0.216 0.000 0.818 230 E CB -0.163 29.440 29.700 -0.161 0.000 0.758 230 E HN 0.718 nan 8.360 nan 0.000 0.467 231 E N -0.239 119.873 120.200 -0.146 0.000 2.072 231 E HA -0.183 4.166 4.350 -0.000 0.000 0.191 231 E C 1.984 178.537 176.600 -0.078 0.000 0.985 231 E CA 0.851 57.197 56.400 -0.091 0.000 0.801 231 E CB -0.081 29.577 29.700 -0.071 0.000 0.750 231 E HN 0.234 nan 8.360 nan 0.000 0.452 232 L N 1.121 122.282 121.223 -0.104 0.000 2.012 232 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 232 L C 2.326 179.158 176.870 -0.064 0.000 1.073 232 L CA 1.415 56.217 54.840 -0.064 0.000 0.748 232 L CB -0.713 41.306 42.059 -0.067 0.000 0.891 232 L HN 0.247 nan 8.230 nan 0.000 0.431 233 L N -0.765 120.398 121.223 -0.100 0.000 2.275 233 L HA -0.083 4.257 4.340 -0.000 0.000 0.215 233 L C 2.126 178.960 176.870 -0.061 0.000 1.119 233 L CA 1.813 56.600 54.840 -0.088 0.000 0.790 233 L CB -0.492 41.502 42.059 -0.108 0.000 0.919 233 L HN 0.611 nan 8.230 nan 0.000 0.443 234 S N -3.348 112.321 115.700 -0.052 0.000 2.603 234 S HA 0.170 4.639 4.470 -0.000 0.000 0.232 234 S C 0.836 175.426 174.600 -0.015 0.000 1.016 234 S CA 0.073 58.254 58.200 -0.031 0.000 0.976 234 S CB -0.442 62.737 63.200 -0.034 0.000 0.921 234 S HN 0.319 nan 8.310 nan 0.000 0.516 235 S N 3.246 118.938 115.700 -0.012 0.000 2.509 235 S HA 0.241 4.711 4.470 -0.000 0.000 0.287 235 S C -1.518 173.097 174.600 0.025 0.000 1.248 235 S CA -0.914 57.290 58.200 0.006 0.000 1.089 235 S CB 0.646 63.853 63.200 0.012 0.000 0.900 235 S HN 0.126 nan 8.310 nan 0.000 0.496 236 P HA -0.098 nan 4.420 nan 0.000 0.217 236 P C 1.365 178.708 177.300 0.071 0.000 1.150 236 P CA 0.943 64.070 63.100 0.044 0.000 0.832 236 P CB 0.101 31.817 31.700 0.027 0.000 0.787 237 K N 0.042 120.473 120.400 0.051 0.000 2.032 237 K HA -0.186 4.134 4.320 -0.000 0.000 0.209 237 K C 1.554 178.220 176.600 0.110 0.000 1.048 237 K CA 1.873 58.197 56.287 0.061 0.000 0.927 237 K CB -0.563 31.959 32.500 0.036 0.000 0.712 237 K HN 0.002 nan 8.250 nan 0.000 0.441 238 D N 0.779 121.234 120.400 0.090 0.000 2.123 238 D HA -0.093 4.547 4.640 -0.000 0.000 0.200 238 D C 2.153 178.528 176.300 0.125 0.000 0.976 238 D CA 0.904 54.967 54.000 0.105 0.000 0.831 238 D CB -0.033 40.813 40.800 0.076 0.000 0.974 238 D HN 0.243 nan 8.370 nan 0.000 0.469 239 L N 0.767 122.047 121.223 0.096 0.000 2.081 239 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 239 L C 2.607 179.560 176.870 0.138 0.000 1.080 239 L CA 1.175 56.072 54.840 0.095 0.000 0.754 239 L CB -0.576 41.519 42.059 0.060 0.000 0.893 239 L HN 0.221 nan 8.230 nan 0.000 0.433 240 H N 0.521 119.630 119.070 0.065 0.000 2.326 240 H HA -0.148 4.408 4.556 -0.000 0.000 0.301 240 H C 2.006 177.374 175.328 0.066 0.000 1.081 240 H CA 1.877 57.959 56.048 0.056 0.000 1.334 240 H CB 0.271 30.055 29.762 0.037 0.000 1.385 240 H HN 0.387 nan 8.280 nan 0.000 0.504 241 E N -0.786 119.536 120.200 0.204 0.000 2.110 241 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 241 E C 2.197 178.834 176.600 0.062 0.000 0.988 241 E CA 1.118 57.600 56.400 0.137 0.000 0.804 241 E CB -0.096 29.700 29.700 0.159 0.000 0.745 241 E HN 0.564 nan 8.360 nan 0.000 0.458 242 H N -0.041 119.037 119.070 0.013 0.000 2.353 242 H HA -0.026 4.530 4.556 -0.000 0.000 0.300 242 H C 1.884 177.193 175.328 -0.031 0.000 1.090 242 H CA 1.720 57.772 56.048 0.006 0.000 1.327 242 H CB -0.047 29.732 29.762 0.028 0.000 1.383 242 H HN 0.167 nan 8.280 nan 0.000 0.508 243 A N -0.084 122.758 122.820 0.037 0.000 1.978 243 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 243 A C 2.615 180.115 177.584 -0.139 0.000 1.170 243 A CA 1.616 53.622 52.037 -0.052 0.000 0.636 243 A CB -0.888 18.071 19.000 -0.068 0.000 0.810 243 A HN 0.351 nan 8.150 nan 0.000 0.448 244 V N -0.472 119.332 119.914 -0.184 0.000 2.358 244 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 244 V C 2.579 178.602 176.094 -0.118 0.000 1.047 244 V CA 1.950 64.159 62.300 -0.152 0.000 1.035 244 V CB -0.617 31.130 31.823 -0.126 0.000 0.658 244 V HN 0.392 nan 8.190 nan 0.000 0.452 245 V N -0.250 119.579 119.914 -0.140 0.000 2.295 245 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 245 V C 2.425 178.419 176.094 -0.168 0.000 1.049 245 V CA 1.924 64.132 62.300 -0.154 0.000 1.024 245 V CB -0.490 31.222 31.823 -0.186 0.000 0.648 245 V HN 0.415 nan 8.190 nan 0.000 0.447 246 V N 0.246 120.029 119.914 -0.218 0.000 2.332 246 V HA -0.275 3.844 4.120 -0.000 0.000 0.248 246 V C 2.591 178.635 176.094 -0.084 0.000 1.055 246 V CA 2.260 64.471 62.300 -0.148 0.000 1.038 246 V CB -0.715 31.039 31.823 -0.116 0.000 0.651 246 V HN 0.637 nan 8.190 nan 0.000 0.450 247 E N 1.133 121.285 120.200 -0.081 0.000 2.110 247 E HA -0.192 4.157 4.350 -0.000 0.000 0.193 247 E C 2.077 178.645 176.600 -0.053 0.000 0.988 247 E CA 1.811 58.175 56.400 -0.059 0.000 0.804 247 E CB -0.503 29.160 29.700 -0.062 0.000 0.745 247 E HN 0.520 nan 8.360 nan 0.000 0.458 248 A N -0.032 122.751 122.820 -0.062 0.000 1.930 248 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 248 A C 2.498 180.056 177.584 -0.044 0.000 1.175 248 A CA 1.406 53.412 52.037 -0.052 0.000 0.627 248 A CB -0.594 18.372 19.000 -0.058 0.000 0.815 248 A HN 0.193 nan 8.150 nan 0.000 0.443 249 V N -0.071 119.813 119.914 -0.050 0.000 2.307 249 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 249 V C 3.079 179.161 176.094 -0.019 0.000 1.045 249 V CA 1.905 64.184 62.300 -0.035 0.000 1.024 249 V CB -1.274 30.524 31.823 -0.041 0.000 0.651 249 V HN 0.604 nan 8.190 nan 0.000 0.449 250 A N 0.173 122.980 122.820 -0.023 0.000 1.883 250 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 250 A C 2.459 180.035 177.584 -0.013 0.000 1.186 250 A CA 2.456 54.483 52.037 -0.017 0.000 0.624 250 A CB -0.997 17.989 19.000 -0.023 0.000 0.822 250 A HN 0.606 nan 8.150 nan 0.000 0.444 251 A N -0.265 122.543 122.820 -0.020 0.000 1.917 251 A HA 0.060 4.380 4.320 -0.000 0.000 0.219 251 A C 2.500 180.082 177.584 -0.004 0.000 1.182 251 A CA 2.475 54.501 52.037 -0.020 0.000 0.633 251 A CB -1.045 17.939 19.000 -0.027 0.000 0.819 251 A HN 1.193 nan 8.150 nan 0.000 0.448 252 A N -0.968 121.858 122.820 0.009 0.000 1.969 252 A HA 0.122 4.442 4.320 -0.000 0.000 0.218 252 A C 2.086 179.745 177.584 0.126 0.000 1.169 252 A CA 1.359 53.425 52.037 0.048 0.000 0.635 252 A CB -0.365 18.651 19.000 0.026 0.000 0.810 252 A HN 0.471 nan 8.150 nan 0.000 0.445 253 L N -1.778 119.499 121.223 0.090 0.000 2.354 253 L HA 0.033 4.373 4.340 -0.000 0.000 0.212 253 L C 2.603 179.535 176.870 0.105 0.000 1.091 253 L CA 0.206 55.128 54.840 0.136 0.000 0.828 253 L CB -0.345 41.746 42.059 0.055 0.000 0.973 253 L HN 0.317 nan 8.230 nan 0.000 0.461 254 R N 0.709 121.224 120.500 0.026 0.000 2.113 254 R HA -0.206 4.133 4.340 -0.000 0.000 0.244 254 R C -0.465 175.804 176.300 -0.052 0.000 1.142 254 R CA 1.931 58.020 56.100 -0.019 0.000 0.953 254 R CB -1.627 28.651 30.300 -0.036 0.000 0.860 254 R HN 0.327 nan 8.270 nan 0.000 0.438 255 P HA -0.122 nan 4.420 nan 0.000 0.225 255 P C 0.354 177.461 177.300 -0.321 0.000 1.148 255 P CA 1.277 64.224 63.100 -0.254 0.000 0.779 255 P CB 0.023 31.479 31.700 -0.408 0.000 0.780 256 Y N -2.014 118.265 120.300 -0.034 0.000 2.510 256 Y HA 0.121 4.671 4.550 -0.000 0.000 0.273 256 Y C 1.071 176.944 175.900 -0.044 0.000 1.119 256 Y CA -0.179 57.901 58.100 -0.034 0.000 1.286 256 Y CB -0.305 38.132 38.460 -0.039 0.000 1.061 256 Y HN -0.107 nan 8.280 nan 0.000 0.542 257 C N 0.024 119.356 119.300 0.054 0.000 2.417 257 C HA 0.244 4.703 4.460 -0.000 0.000 0.324 257 C C 1.427 176.378 174.990 -0.065 0.000 1.240 257 C CA -0.860 58.127 59.018 -0.052 0.000 1.632 257 C CB 0.514 28.207 27.740 -0.078 0.000 2.241 257 C HN 0.638 nan 8.230 nan 0.000 0.499 258 H N 0.406 119.478 119.070 0.003 0.000 2.436 258 H HA 0.113 4.669 4.556 -0.000 0.000 0.294 258 H C 0.790 176.090 175.328 -0.047 0.000 1.048 258 H CA 1.350 57.388 56.048 -0.017 0.000 1.353 258 H CB -0.227 29.532 29.762 -0.006 0.000 1.414 258 H HN 0.623 nan 8.280 nan 0.000 0.536 259 T N -1.374 113.036 114.554 -0.241 0.000 2.900 259 T HA 0.584 4.934 4.350 -0.000 0.000 0.295 259 T C -0.868 173.645 174.700 -0.311 0.000 1.044 259 T CA -1.022 60.945 62.100 -0.222 0.000 0.995 259 T CB 2.064 70.829 68.868 -0.172 0.000 1.072 259 T HN 0.219 nan 8.240 nan 0.000 0.473 260 L N 2.190 123.182 121.223 -0.385 0.000 2.370 260 L HA 0.577 4.917 4.340 -0.000 0.000 0.266 260 L C -1.468 175.080 176.870 -0.538 0.000 1.002 260 L CA -1.280 53.369 54.840 -0.318 0.000 0.818 260 L CB 2.312 44.282 42.059 -0.148 0.000 1.325 260 L HN 0.783 nan 8.230 nan 0.000 0.418 261 Y N 2.025 122.324 120.300 -0.002 0.000 2.345 261 Y HA 0.483 5.033 4.550 -0.000 0.000 0.331 261 Y C -0.306 175.600 175.900 0.009 0.000 0.959 261 Y CA -0.803 57.301 58.100 0.006 0.000 1.204 261 Y CB 1.859 40.324 38.460 0.008 0.000 1.135 261 Y HN 0.061 nan 8.280 nan 0.000 0.477 262 V N 5.615 125.594 119.914 0.109 0.000 2.349 262 V HA 0.380 4.500 4.120 -0.000 0.000 0.284 262 V C -2.162 173.980 176.094 0.080 0.000 1.014 262 V CA -2.022 60.323 62.300 0.075 0.000 0.826 262 V CB 1.249 33.089 31.823 0.029 0.000 1.009 262 V HN 0.611 nan 8.190 nan 0.000 0.431 263 P HA 0.106 nan 4.420 nan 0.000 0.266 263 P C 1.009 178.347 177.300 0.063 0.000 1.195 263 P CA 0.030 63.175 63.100 0.075 0.000 0.768 263 P CB 0.910 32.654 31.700 0.074 0.000 0.838 264 E N 2.187 122.417 120.200 0.051 0.000 2.085 264 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 264 E C -0.132 176.494 176.600 0.044 0.000 0.994 264 E CA 1.299 57.724 56.400 0.042 0.000 0.801 264 E CB 0.217 29.937 29.700 0.033 0.000 0.743 264 E HN 0.413 nan 8.360 nan 0.000 0.453 265 K N 0.641 121.065 120.400 0.041 0.000 2.426 265 K HA 0.374 4.694 4.320 -0.000 0.000 0.251 265 K C -2.588 174.024 176.600 0.020 0.000 0.941 265 K CA -2.051 54.253 56.287 0.028 0.000 0.808 265 K CB 2.129 34.634 32.500 0.009 0.000 1.265 265 K HN -0.001 nan 8.250 nan 0.000 0.432 266 P HA 0.144 nan 4.420 nan 0.000 0.277 266 P C -0.785 176.473 177.300 -0.072 0.000 1.240 266 P CA -0.360 62.682 63.100 -0.097 0.000 0.798 266 P CB 1.117 32.550 31.700 -0.445 0.000 0.979 267 S N -0.042 115.636 115.700 -0.036 0.000 2.758 267 S HA 0.506 4.976 4.470 -0.000 0.000 0.292 267 S C 0.013 174.614 174.600 0.001 0.000 1.131 267 S CA -0.766 57.427 58.200 -0.012 0.000 0.997 267 S CB 0.939 64.150 63.200 0.019 0.000 1.111 267 S HN 0.281 nan 8.310 nan 0.000 0.552 268 V N 1.880 121.819 119.914 0.042 0.000 2.483 268 V HA 0.589 4.709 4.120 -0.000 0.000 0.295 268 V C -0.002 176.228 176.094 0.228 0.000 1.035 268 V CA -0.665 61.713 62.300 0.130 0.000 0.896 268 V CB 0.611 32.484 31.823 0.084 0.000 0.986 268 V HN 0.819 nan 8.190 nan 0.000 0.447 269 I N 1.487 122.226 120.570 0.282 0.000 3.206 269 I HA 0.937 5.107 4.170 -0.000 0.000 0.313 269 I C -0.706 175.573 176.117 0.270 0.000 1.103 269 I CA -0.905 60.511 61.300 0.194 0.000 0.985 269 I CB 2.545 40.584 38.000 0.065 0.000 1.240 269 I HN 0.865 nan 8.210 nan 0.000 0.464 270 H N -0.006 119.111 119.070 0.078 0.000 2.961 270 H HA 0.806 5.361 4.556 -0.000 0.000 0.371 270 H C -0.984 174.321 175.328 -0.038 0.000 1.190 270 H CA -0.642 55.319 56.048 -0.145 0.000 1.138 270 H CB 1.330 30.712 29.762 -0.632 0.000 1.816 270 H HN 0.792 nan 8.280 nan 0.000 0.551 271 S N 0.784 116.525 115.700 0.068 0.000 2.766 271 S HA 0.256 4.726 4.470 -0.000 0.000 0.307 271 S C 0.680 175.292 174.600 0.019 0.000 1.121 271 S CA -0.778 57.478 58.200 0.093 0.000 0.980 271 S CB 1.499 64.763 63.200 0.107 0.000 1.159 271 S HN 0.831 nan 8.310 nan 0.000 0.546 272 E N 0.293 120.509 120.200 0.026 0.000 2.160 272 E HA -0.031 4.319 4.350 -0.000 0.000 0.195 272 E C 1.107 177.662 176.600 -0.076 0.000 0.991 272 E CA 1.151 57.536 56.400 -0.025 0.000 0.810 272 E CB -0.243 29.475 29.700 0.030 0.000 0.742 272 E HN 0.680 nan 8.360 nan 0.000 0.466 276 H N 2.455 121.725 119.070 0.332 0.000 2.759 276 H HA 0.426 4.982 4.556 -0.000 0.000 0.354 276 H C -0.606 174.817 175.328 0.157 0.000 1.074 276 H CA -0.877 55.295 56.048 0.207 0.000 1.226 276 H CB 2.276 32.137 29.762 0.164 0.000 1.648 276 H HN 0.208 nan 8.280 nan 0.000 0.529 277 L N 2.227 123.582 121.223 0.220 0.000 2.410 277 L HA 0.125 4.465 4.340 -0.000 0.000 0.273 277 L C 0.567 177.477 176.870 0.068 0.000 1.144 277 L CA 0.356 55.199 54.840 0.006 0.000 0.863 277 L CB 0.654 42.617 42.059 -0.160 0.000 1.140 277 L HN 0.395 nan 8.230 nan 0.000 0.463 278 S N 2.416 118.133 115.700 0.027 0.000 2.538 278 S HA 0.665 5.135 4.470 -0.000 0.000 0.288 278 S C -0.669 174.040 174.600 0.181 0.000 1.108 278 S CA -0.440 57.871 58.200 0.184 0.000 0.971 278 S CB 1.813 65.094 63.200 0.135 0.000 1.041 278 S HN 0.560 nan 8.310 nan 0.000 0.483 279 T N 3.755 118.479 114.554 0.283 0.000 2.879 279 T HA 0.387 4.737 4.350 -0.000 0.000 0.290 279 T C -1.277 173.497 174.700 0.124 0.000 0.993 279 T CA -0.704 61.523 62.100 0.211 0.000 0.975 279 T CB 1.405 70.445 68.868 0.288 0.000 0.981 279 T HN 0.642 nan 8.240 nan 0.000 0.439 280 E N 2.264 122.520 120.200 0.093 0.000 2.089 280 E HA 0.374 4.723 4.350 -0.000 0.000 0.284 280 E C -0.584 176.062 176.600 0.076 0.000 1.023 280 E CA -0.489 55.955 56.400 0.074 0.000 0.819 280 E CB 1.337 31.073 29.700 0.060 0.000 1.076 280 E HN 0.273 nan 8.360 nan 0.000 0.396 281 V N 4.660 124.615 119.914 0.068 0.000 2.383 281 V HA 0.194 4.314 4.120 -0.000 0.000 0.275 281 V C 0.188 176.332 176.094 0.083 0.000 1.036 281 V CA -0.411 61.932 62.300 0.072 0.000 0.889 281 V CB 0.840 32.688 31.823 0.042 0.000 0.985 281 V HN 0.519 nan 8.190 nan 0.000 0.459 282 K N 3.100 123.581 120.400 0.136 0.000 2.259 282 K HA 0.820 5.140 4.320 -0.000 0.000 0.249 282 K C 0.034 176.756 176.600 0.202 0.000 0.942 282 K CA -0.586 55.797 56.287 0.161 0.000 0.816 282 K CB 2.538 35.137 32.500 0.166 0.000 1.155 282 K HN 0.843 nan 8.250 nan 0.000 0.428 283 G N 0.905 109.785 108.800 0.133 0.000 2.672 283 G HA2 0.411 4.371 3.960 -0.000 0.000 0.292 283 G HA3 0.411 4.371 3.960 -0.000 0.000 0.292 283 G C -1.474 173.443 174.900 0.029 0.000 1.375 283 G CA -0.494 44.639 45.100 0.055 0.000 0.890 283 G HN 0.487 nan 8.290 nan 0.000 0.476 284 E N 0.444 120.582 120.200 -0.102 0.000 2.216 284 E HA 0.328 4.678 4.350 -0.000 0.000 0.260 284 E C -0.232 176.175 176.600 -0.320 0.000 0.880 284 E CA -0.466 55.822 56.400 -0.188 0.000 0.765 284 E CB 2.244 31.777 29.700 -0.277 0.000 1.174 284 E HN 0.294 nan 8.360 nan 0.000 0.417 285 L N 3.023 124.180 121.223 -0.109 0.000 2.467 285 L HA 0.070 4.410 4.340 -0.000 0.000 0.270 285 L C 1.479 178.375 176.870 0.044 0.000 1.205 285 L CA 0.337 55.161 54.840 -0.027 0.000 0.828 285 L CB 0.450 42.525 42.059 0.026 0.000 1.101 285 L HN 0.517 nan 8.230 nan 0.000 0.479 286 K N 0.622 121.092 120.400 0.116 0.000 2.137 286 K HA 0.012 4.332 4.320 -0.000 0.000 0.202 286 K C 0.471 177.150 176.600 0.131 0.000 1.052 286 K CA 0.535 56.942 56.287 0.200 0.000 0.961 286 K CB 0.049 32.630 32.500 0.136 0.000 0.741 286 K HN 0.396 nan 8.250 nan 0.000 0.452 287 N N 0.658 119.418 118.700 0.101 0.000 2.443 287 N HA 0.161 4.901 4.740 -0.000 0.000 0.269 287 N C -2.423 173.121 175.510 0.057 0.000 0.985 287 N CA -2.236 50.859 53.050 0.073 0.000 0.921 287 N CB 1.730 40.261 38.487 0.072 0.000 1.195 287 N HN -0.252 nan 8.380 nan 0.000 0.492 288 P HA -0.014 nan 4.420 nan 0.000 0.221 288 P C 0.444 177.752 177.300 0.014 0.000 1.145 288 P CA 0.903 64.020 63.100 0.028 0.000 0.795 288 P CB 0.388 32.102 31.700 0.023 0.000 0.775 289 N N -1.385 117.325 118.700 0.016 0.000 2.521 289 N HA -0.019 4.720 4.740 -0.000 0.000 0.188 289 N C 0.142 175.650 175.510 -0.002 0.000 1.146 289 N CA 0.714 53.767 53.050 0.005 0.000 0.893 289 N CB -0.614 37.877 38.487 0.008 0.000 0.975 289 N HN 0.143 nan 8.380 nan 0.000 0.451 290 T N 1.379 115.937 114.554 0.006 0.000 2.779 290 T HA 0.142 4.492 4.350 -0.000 0.000 0.296 290 T C 0.765 175.421 174.700 -0.074 0.000 0.938 290 T CA -0.337 61.749 62.100 -0.023 0.000 1.119 290 T CB 0.595 69.464 68.868 0.001 0.000 0.891 290 T HN 0.176 nan 8.240 nan 0.000 0.526 291 S N 2.364 118.004 115.700 -0.100 0.000 2.632 291 S HA 0.251 4.721 4.470 -0.000 0.000 0.271 291 S C 1.807 176.319 174.600 -0.146 0.000 1.260 291 S CA -0.321 57.815 58.200 -0.107 0.000 1.010 291 S CB 1.220 64.360 63.200 -0.101 0.000 0.965 291 S HN 0.701 nan 8.310 nan 0.000 0.534 292 S N 1.433 117.072 115.700 -0.102 0.000 2.400 292 S HA -0.179 4.291 4.470 -0.000 0.000 0.232 292 S C 1.690 176.189 174.600 -0.168 0.000 1.025 292 S CA 1.192 59.347 58.200 -0.076 0.000 0.993 292 S CB -0.894 62.307 63.200 0.000 0.000 0.808 292 S HN 0.777 nan 8.310 nan 0.000 0.478 293 L N 1.855 122.960 121.223 -0.197 0.000 2.109 293 L HA 0.151 4.491 4.340 -0.000 0.000 0.207 293 L C 2.494 179.101 176.870 -0.440 0.000 1.086 293 L CA 2.058 56.586 54.840 -0.519 0.000 0.760 293 L CB -0.859 40.974 42.059 -0.376 0.000 0.910 293 L HN 0.474 nan 8.230 nan 0.000 0.437 294 E N -0.462 119.558 120.200 -0.300 0.000 2.077 294 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 294 E C 2.180 178.563 176.600 -0.361 0.000 0.989 294 E CA 1.474 57.715 56.400 -0.266 0.000 0.800 294 E CB -0.181 29.396 29.700 -0.206 0.000 0.746 294 E HN 0.610 nan 8.360 nan 0.000 0.452 295 L N 0.407 121.379 121.223 -0.419 0.000 2.083 295 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 295 L C 2.673 179.366 176.870 -0.295 0.000 1.083 295 L CA 1.086 55.669 54.840 -0.429 0.000 0.752 295 L CB -0.474 41.376 42.059 -0.348 0.000 0.899 295 L HN 0.192 nan 8.230 nan 0.000 0.433 296 A N 0.423 123.037 122.820 -0.344 0.000 1.877 296 A HA -0.178 4.141 4.320 -0.000 0.000 0.216 296 A C 2.241 179.680 177.584 -0.241 0.000 1.186 296 A CA 1.605 53.440 52.037 -0.337 0.000 0.620 296 A CB -0.701 17.894 19.000 -0.675 0.000 0.822 296 A HN 0.344 nan 8.150 nan 0.000 0.443 297 I N -0.140 120.270 120.570 -0.267 0.000 2.286 297 I HA -0.288 3.882 4.170 -0.000 0.000 0.248 297 I C 2.918 178.994 176.117 -0.069 0.000 1.115 297 I CA 1.013 62.232 61.300 -0.135 0.000 1.392 297 I CB -0.291 37.640 38.000 -0.116 0.000 1.065 297 I HN 0.358 nan 8.210 nan 0.000 0.418 298 A N 0.499 123.266 122.820 -0.087 0.000 1.978 298 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 298 A C 2.191 179.764 177.584 -0.018 0.000 1.170 298 A CA 1.512 53.543 52.037 -0.010 0.000 0.636 298 A CB -0.631 18.402 19.000 0.055 0.000 0.810 298 A HN 0.439 nan 8.150 nan 0.000 0.448 299 L N -1.629 119.568 121.223 -0.043 0.000 2.529 299 L HA 0.121 4.461 4.340 -0.000 0.000 0.223 299 L C 0.876 177.733 176.870 -0.022 0.000 1.113 299 L CA -0.071 54.750 54.840 -0.032 0.000 0.861 299 L CB -0.065 41.972 42.059 -0.036 0.000 1.012 299 L HN 0.580 nan 8.230 nan 0.000 0.461 300 H N 1.537 120.537 119.070 -0.117 0.000 2.458 300 H HA 0.373 4.929 4.556 -0.000 0.000 0.330 300 H C -2.506 172.735 175.328 -0.144 0.000 1.111 300 H CA -2.332 53.641 56.048 -0.125 0.000 1.245 300 H CB 1.341 31.016 29.762 -0.145 0.000 1.456 300 H HN -0.202 nan 8.280 nan 0.000 0.488 301 P HA 0.175 nan 4.420 nan 0.000 0.284 301 P C -0.545 176.619 177.300 -0.227 0.000 1.258 301 P CA -0.633 62.084 63.100 -0.639 0.000 0.824 301 P CB 1.403 32.715 31.700 -0.647 0.000 1.038 302 T N -1.406 113.095 114.554 -0.087 0.000 2.849 302 T HA 0.279 4.629 4.350 -0.000 0.000 0.284 302 T C -1.849 172.821 174.700 -0.050 0.000 1.004 302 T CA -1.728 60.333 62.100 -0.065 0.000 1.021 302 T CB -0.029 68.811 68.868 -0.046 0.000 1.013 302 T HN 0.145 nan 8.240 nan 0.000 0.527 303 P HA 0.047 nan 4.420 nan 0.000 0.225 303 P C 1.503 178.796 177.300 -0.011 0.000 1.148 303 P CA 0.936 64.019 63.100 -0.027 0.000 0.779 303 P CB -0.327 31.352 31.700 -0.034 0.000 0.780 304 A N -0.219 122.589 122.820 -0.019 0.000 1.940 304 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 304 A C 2.067 179.654 177.584 0.004 0.000 1.176 304 A CA 2.376 54.410 52.037 -0.004 0.000 0.631 304 A CB -1.481 17.510 19.000 -0.015 0.000 0.814 304 A HN 0.252 nan 8.150 nan 0.000 0.446 305 V N -5.326 114.587 119.914 -0.000 0.000 3.661 305 V HA 0.183 4.303 4.120 -0.000 0.000 0.271 305 V C 1.529 177.648 176.094 0.042 0.000 1.315 305 V CA 0.578 62.871 62.300 -0.013 0.000 1.072 305 V CB -0.748 31.039 31.823 -0.060 0.000 0.830 305 V HN 0.583 nan 8.190 nan 0.000 0.443 306 C N 0.039 119.391 119.300 0.085 0.000 3.106 306 C HA 0.901 5.360 4.460 -0.000 0.000 0.108 306 C C 1.229 176.257 174.990 0.065 0.000 2.515 306 C CA 0.788 59.895 59.018 0.149 0.000 1.060 306 C CB 0.846 28.668 27.740 0.136 0.000 1.835 306 C HN 0.938 nan 8.230 nan 0.000 0.578 307 G N -0.449 108.367 108.800 0.027 0.000 2.317 307 G HA2 0.450 4.410 3.960 -0.000 0.000 0.293 307 G HA3 0.450 4.410 3.960 -0.000 0.000 0.293 307 G C -1.580 173.315 174.900 -0.008 0.000 1.287 307 G CA 0.344 45.451 45.100 0.012 0.000 0.850 307 G HN 0.618 nan 8.290 nan 0.000 0.515 308 T N 2.398 116.949 114.554 -0.004 0.000 2.841 308 T HA 0.685 5.034 4.350 -0.000 0.000 0.285 308 T C -2.629 172.067 174.700 -0.007 0.000 0.991 308 T CA -0.866 61.227 62.100 -0.011 0.000 0.966 308 T CB 2.266 71.130 68.868 -0.007 0.000 0.962 308 T HN 0.429 nan 8.240 nan 0.000 0.438 312 E N 0.516 120.697 120.200 -0.033 0.000 2.072 312 E HA 0.025 4.375 4.350 -0.000 0.000 0.190 312 E C 2.026 178.619 176.600 -0.011 0.000 0.982 312 E CA 1.128 57.515 56.400 -0.021 0.000 0.803 312 E CB -0.368 29.321 29.700 -0.018 0.000 0.755 312 E HN 0.413 nan 8.360 nan 0.000 0.453 313 A N 1.068 123.883 122.820 -0.007 0.000 1.898 313 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 313 A C 2.206 179.811 177.584 0.034 0.000 1.181 313 A CA 1.790 53.833 52.037 0.010 0.000 0.620 313 A CB -0.580 18.428 19.000 0.014 0.000 0.819 313 A HN 0.279 nan 8.150 nan 0.000 0.442 314 R N -0.398 120.120 120.500 0.030 0.000 2.091 314 R HA -0.182 4.158 4.340 -0.000 0.000 0.238 314 R C 2.284 178.610 176.300 0.044 0.000 1.136 314 R CA 2.095 58.236 56.100 0.068 0.000 0.959 314 R CB -0.447 29.831 30.300 -0.038 0.000 0.856 314 R HN 0.577 nan 8.270 nan 0.000 0.437 315 E N 0.456 120.659 120.200 0.005 0.000 2.038 315 E HA -0.186 4.163 4.350 -0.000 0.000 0.195 315 E C 1.929 178.530 176.600 0.002 0.000 1.000 315 E CA 1.526 57.924 56.400 -0.002 0.000 0.803 315 E CB -1.006 28.687 29.700 -0.013 0.000 0.750 315 E HN 0.653 nan 8.360 nan 0.000 0.448 316 A N 0.396 123.217 122.820 0.002 0.000 1.908 316 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 316 A C 2.545 180.126 177.584 -0.005 0.000 1.181 316 A CA 1.716 53.751 52.037 -0.003 0.000 0.627 316 A CB -0.497 18.501 19.000 -0.004 0.000 0.818 316 A HN 0.535 nan 8.150 nan 0.000 0.445 317 I N -0.662 119.915 120.570 0.011 0.000 2.179 317 I HA -0.321 3.849 4.170 -0.000 0.000 0.242 317 I C 2.799 178.895 176.117 -0.035 0.000 1.088 317 I CA 1.689 62.986 61.300 -0.005 0.000 1.357 317 I CB -0.349 37.671 38.000 0.033 0.000 1.051 317 I HN 0.450 nan 8.210 nan 0.000 0.409 318 Q N -0.147 119.652 119.800 -0.001 0.000 2.187 318 Q HA -0.175 4.165 4.340 -0.000 0.000 0.199 318 Q C 2.395 178.373 176.000 -0.036 0.000 0.957 318 Q CA 1.073 56.863 55.803 -0.022 0.000 0.857 318 Q CB -0.059 28.689 28.738 0.017 0.000 0.929 318 Q HN 0.253 nan 8.270 nan 0.000 0.453 319 K N 1.093 121.479 120.400 -0.022 0.000 2.026 319 K HA -0.077 4.242 4.320 -0.000 0.000 0.208 319 K C 1.825 178.410 176.600 -0.025 0.000 1.048 319 K CA 0.925 57.200 56.287 -0.020 0.000 0.929 319 K CB -0.450 32.042 32.500 -0.013 0.000 0.713 319 K HN 0.313 nan 8.250 nan 0.000 0.439 320 I N 0.356 120.907 120.570 -0.033 0.000 2.500 320 I HA 0.001 4.171 4.170 -0.000 0.000 0.252 320 I C 0.944 177.036 176.117 -0.041 0.000 1.142 320 I CA 0.790 62.070 61.300 -0.033 0.000 1.451 320 I CB -0.044 37.934 38.000 -0.037 0.000 1.093 320 I HN 0.314 nan 8.210 nan 0.000 0.430 321 E N 2.745 122.888 120.200 -0.096 0.000 2.229 321 E HA 0.103 4.452 4.350 -0.000 0.000 0.283 321 E C -1.729 174.778 176.600 -0.155 0.000 1.030 321 E CA -1.578 54.711 56.400 -0.185 0.000 0.836 321 E CB 0.860 30.291 29.700 -0.449 0.000 1.068 321 E HN 0.089 nan 8.360 nan 0.000 0.401 322 P HA 0.067 nan 4.420 nan 0.000 0.256 322 P C -0.884 176.528 177.300 0.187 0.000 1.384 322 P CA 0.169 63.321 63.100 0.087 0.000 0.879 322 P CB -0.237 31.553 31.700 0.150 0.000 1.403 323 F N -2.265 117.728 119.950 0.072 0.000 2.664 323 F HA 0.709 5.236 4.527 -0.000 0.000 0.317 323 F C -1.083 174.775 175.800 0.097 0.000 1.108 323 F CA -1.557 56.491 58.000 0.080 0.000 0.957 323 F CB 0.545 39.595 39.000 0.082 0.000 1.365 323 F HN -0.424 nan 8.300 nan 0.000 0.475 324 D N 1.092 121.650 120.400 0.264 0.000 2.233 324 D HA 0.354 4.994 4.640 -0.000 0.000 0.240 324 D C 0.745 177.276 176.300 0.385 0.000 1.074 324 D CA -0.392 53.704 54.000 0.161 0.000 0.838 324 D CB 2.081 42.962 40.800 0.136 0.000 1.124 324 D HN 0.570 nan 8.370 nan 0.000 0.475 325 R N 1.760 122.398 120.500 0.231 0.000 2.091 325 R HA -0.133 4.206 4.340 -0.000 0.000 0.238 325 R C 0.631 177.069 176.300 0.229 0.000 1.136 325 R CA 0.938 57.245 56.100 0.345 0.000 0.959 325 R CB 0.030 30.375 30.300 0.076 0.000 0.856 325 R HN 0.610 nan 8.270 nan 0.000 0.437 326 E N -2.176 118.098 120.200 0.123 0.000 3.141 326 E HA -0.326 4.024 4.350 -0.000 0.000 0.398 326 E C 1.100 177.595 176.600 -0.175 0.000 1.504 326 E CA 2.047 58.410 56.400 -0.061 0.000 1.266 326 E CB -1.433 28.310 29.700 0.073 0.000 1.586 326 E HN 0.234 nan 8.360 nan 0.000 0.497 327 F N 0.475 120.486 119.950 0.103 0.000 2.615 327 F HA 0.171 4.698 4.527 -0.000 0.000 0.297 327 F C 1.294 177.110 175.800 0.027 0.000 1.124 327 F CA 0.351 58.392 58.000 0.069 0.000 1.451 327 F CB 0.041 39.088 39.000 0.078 0.000 1.103 327 F HN 0.132 nan 8.300 nan 0.000 0.569 328 F N 2.398 122.269 119.950 -0.132 0.000 2.543 328 F HA 0.232 4.759 4.527 -0.000 0.000 0.375 328 F C 1.345 177.098 175.800 -0.077 0.000 1.075 328 F CA 0.089 57.926 58.000 -0.272 0.000 1.225 328 F CB 0.178 38.643 39.000 -0.891 0.000 1.099 328 F HN 0.234 nan 8.300 nan 0.000 0.561 329 T N 1.685 115.815 114.554 -0.706 0.000 5.221 329 T HA -0.192 4.157 4.350 -0.000 0.000 0.299 329 T C 0.449 175.214 174.700 0.108 0.000 1.489 329 T CA 0.505 62.366 62.100 -0.398 0.000 2.593 329 T CB -2.555 65.983 68.868 -0.550 0.000 1.859 329 T HN 1.374 nan 8.240 nan 0.000 0.982 333 G N -0.947 107.564 108.800 -0.482 0.000 2.455 333 G HA2 0.425 4.385 3.960 -0.000 0.000 0.223 333 G HA3 0.425 4.385 3.960 -0.000 0.000 0.223 333 G C -2.328 171.740 174.900 -1.387 0.000 1.226 333 G CA -0.104 44.243 45.100 -1.255 0.000 0.948 333 G HN 1.741 nan 8.290 nan 0.000 0.478 334 W N -0.249 119.985 121.300 -1.778 0.000 3.083 334 W HA 0.859 5.519 4.660 -0.000 0.000 0.333 334 W C -1.025 175.043 176.519 -0.752 0.000 1.217 334 W CA -0.800 55.924 57.345 -1.035 0.000 1.170 334 W CB 1.202 30.246 29.460 -0.693 0.000 1.437 334 W HN 1.222 nan 8.180 nan 0.000 0.557 335 S N 1.153 116.781 115.700 -0.119 0.000 2.541 335 S HA 0.445 4.915 4.470 -0.000 0.000 0.271 335 S C -1.316 173.390 174.600 0.177 0.000 1.133 335 S CA -0.425 57.737 58.200 -0.064 0.000 0.876 335 S CB 1.633 64.925 63.200 0.153 0.000 1.105 335 S HN 0.580 nan 8.310 nan 0.000 0.470 336 D N 1.811 122.309 120.400 0.162 0.000 2.525 336 D HA 0.346 4.986 4.640 -0.000 0.000 0.249 336 D C 1.073 177.411 176.300 0.063 0.000 1.072 336 D CA -0.843 53.254 54.000 0.161 0.000 1.067 336 D CB 0.098 41.044 40.800 0.245 0.000 1.282 336 D HN 0.335 nan 8.370 nan 0.000 0.587 337 L N 0.539 121.787 121.223 0.041 0.000 2.131 337 L HA -0.053 4.287 4.340 -0.000 0.000 0.210 337 L C 1.265 178.138 176.870 0.004 0.000 1.092 337 L CA 1.767 56.614 54.840 0.011 0.000 0.759 337 L CB -1.255 40.806 42.059 0.003 0.000 0.903 337 L HN 0.385 nan 8.230 nan 0.000 0.435 338 N N 0.170 118.877 118.700 0.011 0.000 2.381 338 N HA -0.020 4.720 4.740 -0.000 0.000 0.182 338 N C 1.506 177.008 175.510 -0.012 0.000 1.025 338 N CA 1.170 54.219 53.050 -0.002 0.000 0.888 338 N CB -0.038 38.447 38.487 -0.003 0.000 0.965 338 N HN 0.549 nan 8.380 nan 0.000 0.438 339 G N -0.141 108.652 108.800 -0.011 0.000 2.201 339 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.212 339 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.212 339 G C -0.384 174.480 174.900 -0.061 0.000 0.994 339 G CA -0.130 44.948 45.100 -0.036 0.000 0.644 339 G HN 0.245 nan 8.290 nan 0.000 0.508 340 D N 0.769 121.139 120.400 -0.050 0.000 2.360 340 D HA 0.585 5.225 4.640 -0.000 0.000 0.242 340 D C 0.874 176.945 176.300 -0.380 0.000 1.184 340 D CA 1.464 55.399 54.000 -0.109 0.000 0.930 340 D CB 1.364 42.164 40.800 -0.001 0.000 1.161 340 D HN 1.082 nan 8.370 nan 0.000 0.447 341 G N -0.215 108.159 108.800 -0.711 0.000 2.322 341 G HA2 0.419 4.378 3.960 -0.000 0.000 0.295 341 G HA3 0.419 4.378 3.960 -0.000 0.000 0.295 341 G C -1.743 172.416 174.900 -1.234 0.000 1.369 341 G CA -0.771 43.338 45.100 -1.652 0.000 0.821 341 G HN 0.352 nan 8.290 nan 0.000 0.536 342 E N -0.827 118.388 120.200 -1.642 0.000 2.275 342 E HA 0.486 4.836 4.350 -0.000 0.000 0.270 342 E C -1.805 174.195 176.600 -1.000 0.000 0.882 342 E CA -0.473 55.477 56.400 -0.751 0.000 0.758 342 E CB 2.557 32.203 29.700 -0.090 0.000 1.195 342 E HN 0.451 nan 8.360 nan 0.000 0.419 343 W N 3.930 125.041 121.300 -0.315 0.000 2.739 343 W HA 0.505 5.165 4.660 -0.000 0.000 0.331 343 W C -0.288 176.094 176.519 -0.227 0.000 1.049 343 W CA -0.650 56.533 57.345 -0.270 0.000 1.234 343 W CB 1.072 30.377 29.460 -0.260 0.000 1.404 343 W HN 0.434 nan 8.180 nan 0.000 0.477 344 I N -0.054 120.502 120.570 -0.023 0.000 2.863 344 I HA 0.817 4.986 4.170 -0.000 0.000 0.311 344 I C -0.700 175.382 176.117 -0.057 0.000 1.026 344 I CA -1.358 59.865 61.300 -0.129 0.000 1.077 344 I CB 1.300 39.193 38.000 -0.180 0.000 1.262 344 I HN 0.024 nan 8.210 nan 0.000 0.461 345 V N 2.259 122.138 119.914 -0.058 0.000 2.432 345 V HA 0.215 4.335 4.120 -0.000 0.000 0.275 345 V C 0.318 176.393 176.094 -0.032 0.000 1.043 345 V CA -0.282 61.999 62.300 -0.031 0.000 0.925 345 V CB 1.038 32.849 31.823 -0.022 0.000 0.985 345 V HN 0.845 nan 8.190 nan 0.000 0.466 346 T N 7.641 122.163 114.554 -0.053 0.000 3.185 346 T HA 0.455 4.805 4.350 -0.000 0.000 0.287 346 T C 0.033 174.766 174.700 0.055 0.000 1.051 346 T CA 0.183 62.264 62.100 -0.033 0.000 1.051 346 T CB -0.878 67.961 68.868 -0.048 0.000 1.034 346 T HN 0.591 nan 8.240 nan 0.000 0.685 347 I N -1.605 119.070 120.570 0.173 0.000 3.294 347 I HA 0.696 4.865 4.170 -0.000 0.000 0.311 347 I C -0.240 176.104 176.117 0.379 0.000 1.111 347 I CA -1.799 59.669 61.300 0.280 0.000 0.976 347 I CB 1.324 39.413 38.000 0.148 0.000 1.260 347 I HN 0.005 nan 8.210 nan 0.000 0.474 348 R N 0.180 120.899 120.500 0.365 0.000 3.322 348 R HA -0.155 4.185 4.340 -0.000 0.000 0.253 348 R C -0.603 175.861 176.300 0.273 0.000 0.987 348 R CA 0.783 57.046 56.100 0.271 0.000 0.666 348 R CB -2.785 27.635 30.300 0.201 0.000 1.072 348 R HN 0.936 nan 8.270 nan 0.000 0.447 349 C N -3.294 116.228 119.300 0.371 0.000 2.973 349 C HA 1.000 5.460 4.460 -0.000 0.000 0.329 349 C C 0.201 175.408 174.990 0.360 0.000 1.327 349 C CA -0.570 58.670 59.018 0.371 0.000 1.632 349 C CB 2.591 30.681 27.740 0.584 0.000 2.098 349 C HN 0.662 nan 8.230 nan 0.000 0.469 350 A N 0.106 123.105 122.820 0.298 0.000 2.486 350 A HA 0.726 5.045 4.320 -0.000 0.000 0.300 350 A C -0.910 176.845 177.584 0.286 0.000 1.048 350 A CA -0.308 51.884 52.037 0.259 0.000 0.696 350 A CB 0.945 20.002 19.000 0.094 0.000 1.278 350 A HN 0.890 nan 8.150 nan 0.000 0.405 351 E N 0.864 121.249 120.200 0.309 0.000 2.259 351 E HA 0.431 4.781 4.350 -0.000 0.000 0.281 351 E C -1.000 175.678 176.600 0.131 0.000 1.037 351 E CA -0.195 56.349 56.400 0.240 0.000 0.854 351 E CB 1.433 31.300 29.700 0.279 0.000 1.051 351 E HN 0.368 nan 8.360 nan 0.000 0.409 352 V N 3.968 123.952 119.914 0.117 0.000 2.409 352 V HA 0.269 4.388 4.120 -0.000 0.000 0.291 352 V C -0.312 175.831 176.094 0.082 0.000 1.020 352 V CA -0.683 61.666 62.300 0.082 0.000 0.848 352 V CB 1.504 33.372 31.823 0.074 0.000 0.990 352 V HN 0.634 nan 8.190 nan 0.000 0.430 353 Q N 3.067 122.907 119.800 0.066 0.000 2.294 353 Q HA 0.477 4.816 4.340 -0.000 0.000 0.264 353 Q C 0.189 176.217 176.000 0.046 0.000 0.992 353 Q CA -0.152 55.687 55.803 0.060 0.000 0.747 353 Q CB 1.563 30.339 28.738 0.063 0.000 1.262 353 Q HN 0.852 nan 8.270 nan 0.000 0.452 354 E N 2.869 123.094 120.200 0.042 0.000 3.414 354 E HA -0.328 4.022 4.350 -0.000 0.000 0.386 354 E C -0.580 176.038 176.600 0.030 0.000 1.447 354 E CA 2.837 59.255 56.400 0.031 0.000 1.430 354 E CB -1.103 28.612 29.700 0.025 0.000 1.533 354 E HN 0.893 nan 8.360 nan 0.000 0.423 355 N N -0.067 118.648 118.700 0.025 0.000 2.299 355 N HA 0.224 4.963 4.740 -0.000 0.000 0.246 355 N C -0.927 174.604 175.510 0.035 0.000 1.254 355 N CA 0.628 53.693 53.050 0.025 0.000 0.879 355 N CB 0.698 39.185 38.487 0.000 0.000 1.214 355 N HN 0.464 nan 8.380 nan 0.000 0.510 356 T N -1.311 113.264 114.554 0.034 0.000 2.848 356 T HA 0.718 5.068 4.350 -0.000 0.000 0.285 356 T C -0.746 173.967 174.700 0.021 0.000 0.995 356 T CA -0.784 61.331 62.100 0.026 0.000 0.970 356 T CB 1.637 70.511 68.868 0.011 0.000 0.976 356 T HN -0.038 nan 8.240 nan 0.000 0.441 357 L N 2.238 123.461 121.223 -0.001 0.000 2.329 357 L HA 0.644 4.984 4.340 -0.000 0.000 0.279 357 L C 0.322 177.136 176.870 -0.093 0.000 1.014 357 L CA -0.899 53.926 54.840 -0.026 0.000 0.814 357 L CB 1.791 43.825 42.059 -0.043 0.000 1.257 357 L HN 0.728 nan 8.230 nan 0.000 0.424 358 R N 2.429 122.862 120.500 -0.113 0.000 2.255 358 R HA 0.659 4.999 4.340 -0.000 0.000 0.326 358 R C -1.306 174.767 176.300 -0.379 0.000 0.986 358 R CA -0.640 55.283 56.100 -0.296 0.000 0.847 358 R CB 0.697 30.791 30.300 -0.342 0.000 1.111 358 R HN 0.461 nan 8.270 nan 0.000 0.452 359 L N 4.824 125.791 121.223 -0.427 0.000 2.360 359 L HA 0.480 4.820 4.340 -0.000 0.000 0.271 359 L C -0.925 175.731 176.870 -0.356 0.000 1.057 359 L CA -0.293 54.396 54.840 -0.252 0.000 0.803 359 L CB 1.199 43.133 42.059 -0.209 0.000 1.207 359 L HN 0.566 nan 8.230 nan 0.000 0.445 360 Y N 0.483 120.775 120.300 -0.012 0.000 2.553 360 Y HA 0.836 5.386 4.550 -0.000 0.000 0.347 360 Y C -0.081 175.535 175.900 -0.472 0.000 1.019 360 Y CA -1.096 56.739 58.100 -0.442 0.000 1.032 360 Y CB 2.179 39.725 38.460 -1.523 0.000 1.284 360 Y HN 0.633 nan 8.280 nan 0.000 0.466 361 A N 0.668 123.168 122.820 -0.534 0.000 2.589 361 A HA 0.857 5.177 4.320 -0.000 0.000 0.296 361 A C -0.988 176.542 177.584 -0.090 0.000 1.062 361 A CA -0.156 51.624 52.037 -0.428 0.000 0.686 361 A CB 1.411 19.721 19.000 -1.149 0.000 1.282 361 A HN 1.095 nan 8.150 nan 0.000 0.404 362 G N -0.868 108.027 108.800 0.159 0.000 2.725 362 G HA2 0.933 4.893 3.960 -0.000 0.000 0.288 362 G HA3 0.933 4.893 3.960 -0.000 0.000 0.288 362 G C -0.863 174.121 174.900 0.141 0.000 1.399 362 G CA -0.045 45.180 45.100 0.208 0.000 0.859 362 G HN 2.131 nan 8.290 nan 0.000 0.479 363 A N -0.569 122.350 122.820 0.164 0.000 2.456 363 A HA 0.746 5.066 4.320 -0.000 0.000 0.288 363 A C 0.149 177.802 177.584 0.114 0.000 1.042 363 A CA 0.069 52.188 52.037 0.137 0.000 0.738 363 A CB 1.175 20.266 19.000 0.152 0.000 1.266 363 A HN 1.906 nan 8.150 nan 0.000 0.407 364 G N 0.892 109.748 108.800 0.093 0.000 2.272 364 G HA2 0.467 4.427 3.960 -0.000 0.000 0.247 364 G HA3 0.467 4.427 3.960 -0.000 0.000 0.247 364 G C -0.246 174.693 174.900 0.064 0.000 1.272 364 G CA 0.184 45.328 45.100 0.073 0.000 0.921 364 G HN 0.985 nan 8.290 nan 0.000 0.495 365 V N 3.488 123.430 119.914 0.045 0.000 2.513 365 V HA 0.652 4.772 4.120 -0.000 0.000 0.299 365 V C 0.456 176.566 176.094 0.026 0.000 1.035 365 V CA -0.434 61.883 62.300 0.029 0.000 0.889 365 V CB 1.543 33.367 31.823 0.003 0.000 0.988 365 V HN 0.885 nan 8.190 nan 0.000 0.440 366 V N 1.601 121.529 119.914 0.024 0.000 3.156 366 V HA 0.873 4.993 4.120 -0.000 0.000 0.310 366 V C 1.086 177.185 176.094 0.009 0.000 1.234 366 V CA -0.045 62.269 62.300 0.022 0.000 1.065 366 V CB 1.156 33.000 31.823 0.034 0.000 1.088 366 V HN 0.827 nan 8.190 nan 0.000 0.451 367 A N -0.443 122.379 122.820 0.003 0.000 1.903 367 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 367 A C 1.997 179.578 177.584 -0.005 0.000 1.191 367 A CA 3.029 55.063 52.037 -0.005 0.000 0.638 367 A CB -1.265 17.727 19.000 -0.012 0.000 0.823 367 A HN 1.660 nan 8.150 nan 0.000 0.451 368 E N 0.064 120.261 120.200 -0.004 0.000 2.502 368 E HA 0.316 4.666 4.350 -0.000 0.000 0.194 368 E C 0.858 177.462 176.600 0.007 0.000 1.062 368 E CA 0.531 56.930 56.400 -0.002 0.000 0.867 368 E CB -0.716 28.981 29.700 -0.005 0.000 0.888 368 E HN 0.595 nan 8.360 nan 0.000 0.510 369 S N 0.259 115.965 115.700 0.010 0.000 2.579 369 S HA 0.533 5.002 4.470 -0.000 0.000 0.275 369 S C 0.406 175.014 174.600 0.013 0.000 1.345 369 S CA 0.295 58.505 58.200 0.016 0.000 1.031 369 S CB 1.155 64.365 63.200 0.015 0.000 0.892 369 S HN 0.757 nan 8.310 nan 0.000 0.529 370 K N 2.445 122.858 120.400 0.021 0.000 2.413 370 K HA 0.555 4.875 4.320 -0.000 0.000 0.257 370 K C -2.538 174.080 176.600 0.030 0.000 0.946 370 K CA -2.164 54.136 56.287 0.022 0.000 0.823 370 K CB 0.311 32.827 32.500 0.027 0.000 1.109 370 K HN 0.370 nan 8.250 nan 0.000 0.427 371 P HA -0.268 nan 4.420 nan 0.000 0.215 371 P C 1.837 179.182 177.300 0.076 0.000 1.163 371 P CA 2.504 65.621 63.100 0.027 0.000 0.894 371 P CB 0.225 31.934 31.700 0.015 0.000 0.791 372 E N 0.066 120.309 120.200 0.073 0.000 2.130 372 E HA -0.270 4.080 4.350 -0.000 0.000 0.196 372 E C 1.605 178.262 176.600 0.095 0.000 0.998 372 E CA 2.016 58.469 56.400 0.089 0.000 0.806 372 E CB -1.768 27.973 29.700 0.069 0.000 0.738 372 E HN 0.377 nan 8.360 nan 0.000 0.459 373 D N -0.101 120.347 120.400 0.080 0.000 2.277 373 D HA -0.050 4.590 4.640 -0.000 0.000 0.208 373 D C 1.813 178.170 176.300 0.095 0.000 0.962 373 D CA 0.858 54.904 54.000 0.077 0.000 0.865 373 D CB 0.132 40.969 40.800 0.062 0.000 0.939 373 D HN 0.472 nan 8.370 nan 0.000 0.510 374 E N 0.231 120.505 120.200 0.124 0.000 2.122 374 E HA -0.041 4.309 4.350 -0.000 0.000 0.190 374 E C 2.097 178.840 176.600 0.237 0.000 0.977 374 E CA 0.055 56.562 56.400 0.179 0.000 0.820 374 E CB -0.269 29.538 29.700 0.179 0.000 0.770 374 E HN 0.217 nan 8.360 nan 0.000 0.462 375 L N 1.308 122.688 121.223 0.263 0.000 2.079 375 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 375 L C 2.164 179.053 176.870 0.031 0.000 1.081 375 L CA 1.990 56.899 54.840 0.115 0.000 0.752 375 L CB -0.601 41.543 42.059 0.141 0.000 0.896 375 L HN 0.038 nan 8.230 nan 0.000 0.433 376 A N -0.886 121.980 122.820 0.076 0.000 1.873 376 A HA -0.228 4.091 4.320 -0.000 0.000 0.215 376 A C 2.315 179.926 177.584 0.045 0.000 1.186 376 A CA 1.509 53.586 52.037 0.066 0.000 0.616 376 A CB -0.721 18.322 19.000 0.072 0.000 0.823 376 A HN 0.600 nan 8.150 nan 0.000 0.442 377 E N -0.044 120.186 120.200 0.049 0.000 2.058 377 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 377 E C 2.121 178.711 176.600 -0.018 0.000 0.997 377 E CA 2.223 58.645 56.400 0.038 0.000 0.801 377 E CB -0.277 29.462 29.700 0.066 0.000 0.746 377 E HN 0.736 nan 8.360 nan 0.000 0.450 378 T N -1.651 112.861 114.554 -0.071 0.000 2.720 378 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 378 T C 2.203 176.727 174.700 -0.293 0.000 1.037 378 T CA 1.615 63.562 62.100 -0.255 0.000 1.144 378 T CB -0.501 68.142 68.868 -0.376 0.000 0.864 378 T HN -0.010 nan 8.240 nan 0.000 0.444 379 S N 1.614 117.283 115.700 -0.052 0.000 2.382 379 S HA 0.096 4.565 4.470 -0.000 0.000 0.228 379 S C 2.597 177.256 174.600 0.099 0.000 1.027 379 S CA 0.989 59.274 58.200 0.143 0.000 0.991 379 S CB -0.835 62.447 63.200 0.137 0.000 0.823 379 S HN 0.784 nan 8.310 nan 0.000 0.469 380 A N 1.632 124.472 122.820 0.034 0.000 1.902 380 A HA -0.105 4.214 4.320 -0.000 0.000 0.217 380 A C 2.000 179.595 177.584 0.019 0.000 1.181 380 A CA 1.411 53.467 52.037 0.031 0.000 0.623 380 A CB -0.418 18.598 19.000 0.026 0.000 0.818 380 A HN 0.450 nan 8.150 nan 0.000 0.443 381 K N -1.330 119.051 120.400 -0.033 0.000 2.209 381 K HA -0.092 4.228 4.320 -0.000 0.000 0.204 381 K C 1.329 177.905 176.600 -0.040 0.000 1.048 381 K CA 1.241 57.501 56.287 -0.044 0.000 0.940 381 K CB -0.302 32.147 32.500 -0.086 0.000 0.729 381 K HN 0.469 nan 8.250 nan 0.000 0.451 382 F N 1.740 121.688 119.950 -0.003 0.000 2.451 382 F HA -0.105 4.422 4.527 -0.000 0.000 0.299 382 F C 2.233 178.007 175.800 -0.043 0.000 1.101 382 F CA 0.804 58.782 58.000 -0.036 0.000 1.436 382 F CB -0.188 38.766 39.000 -0.076 0.000 1.074 382 F HN -0.016 nan 8.300 nan 0.000 0.553 383 Q N -0.084 119.796 119.800 0.133 0.000 2.226 383 Q HA -0.077 4.263 4.340 -0.000 0.000 0.204 383 Q C 1.257 177.265 176.000 0.012 0.000 0.975 383 Q CA 0.862 56.694 55.803 0.049 0.000 0.866 383 Q CB -1.228 27.524 28.738 0.022 0.000 0.915 383 Q HN 0.262 nan 8.270 nan 0.000 0.440 387 K N 2.239 122.557 120.400 -0.137 0.000 2.063 387 K HA -0.011 4.308 4.320 -0.000 0.000 0.208 387 K C 1.798 178.268 176.600 -0.216 0.000 1.048 387 K CA 2.132 58.314 56.287 -0.175 0.000 0.928 387 K CB -0.198 32.190 32.500 -0.186 0.000 0.713 387 K HN 0.337 nan 8.250 nan 0.000 0.442 388 A N 0.331 123.033 122.820 -0.197 0.000 2.015 388 A HA 0.013 4.333 4.320 -0.000 0.000 0.219 388 A C 2.028 179.516 177.584 -0.160 0.000 1.163 388 A CA 1.148 53.077 52.037 -0.181 0.000 0.646 388 A CB -0.456 18.459 19.000 -0.142 0.000 0.806 388 A HN 0.340 nan 8.150 nan 0.000 0.448 389 L N -1.336 119.767 121.223 -0.201 0.000 2.554 389 L HA 0.140 4.480 4.340 -0.000 0.000 0.226 389 L C 1.743 178.458 176.870 -0.258 0.000 1.137 389 L CA 0.630 55.310 54.840 -0.267 0.000 0.863 389 L CB -0.053 41.735 42.059 -0.453 0.000 0.985 389 L HN 0.588 nan 8.230 nan 0.000 0.451 390 G N -0.077 108.610 108.800 -0.188 0.000 2.176 390 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.253 390 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.253 390 G C 0.602 175.421 174.900 -0.136 0.000 0.979 390 G CA 0.189 45.216 45.100 -0.123 0.000 0.641 390 G HN 0.308 nan 8.290 nan 0.000 0.530 391 L N 0.769 121.864 121.223 -0.214 0.000 2.741 391 L HA 0.288 4.628 4.340 -0.000 0.000 0.237 391 L C 1.810 178.602 176.870 -0.130 0.000 1.178 391 L CA 0.145 54.873 54.840 -0.186 0.000 0.973 391 L CB -1.431 40.451 42.059 -0.295 0.000 1.255 391 L HN 0.503 nan 8.230 nan 0.000 0.498 392 N N 0.000 118.632 118.700 -0.113 0.000 1.763 392 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 392 N CA 0.000 52.999 53.050 -0.085 0.000 0.885 392 N CB 0.000 38.436 38.487 -0.085 0.000 1.341 392 N HN 0.000 nan 8.380 nan 0.000 0.667