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 2cxp_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAALTRNPQF QKLLEWHRAN SANLKLRELF EADPERFNNF SLNLNTNHGH DATA SEQUENCE ILVDYSKNLV SKEVMQMLVE LAKSRGVEAA RDNMFSGSKI NYTEDRAVLH DATA SEQUENCE VALRNRSNTP IKVDGKDVMP EVNRVLDKMK SFCQRVRSGD WKGYTGKSIT DATA SEQUENCE DIINIGIGGS DLGPLMVTEA LKPYSKGGPR VWFVSNIDGT HIAKTLASLS DATA SEQUENCE PETSLFIIAS KTFTTQETIT NAETAKEWFL EAAKDPSAVA KHFVALSTNT DATA SEQUENCE AKVKEFGIDP QNMFEFWDWV GGRYSLWSAI GLSIALHVGF DHFEQLLSGA DATA SEQUENCE HWMDQHFLKT PLEKNAPVLL ALLGIWYINC YGCETHALLP YDQYMHRFAA DATA SEQUENCE YFQQGDMESN GKYITKSGAR VDHQTGPIVW GEPGTNGQHA FYQLIHQGTK DATA SEQUENCE MIPCDFLIPV QTQHPIRKGL HHKILLANFL AQTEALMKGK LPEEARKELQ DATA SEQUENCE AAGKSPEDLE KLLPHKVFEG NRPTNSIVFT KLTPFILGAL IAMYEHKIFV DATA SEQUENCE QGIMWDINSF DQWGVELGKQ LAKKIEPELE GSSAVTSHDS STNGLISFIK DATA SEQUENCE QQRDTKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.339 176.300 0.064 0.000 1.140 1 M CA 0.000 55.331 55.300 0.053 0.000 0.988 1 M CB 0.000 32.641 32.600 0.069 0.000 1.302 2 A N -0.109 122.769 122.820 0.097 0.000 2.350 2 A HA 0.902 5.266 4.320 0.073 0.000 0.318 2 A C 0.771 178.416 177.584 0.102 0.000 1.132 2 A CA -0.062 52.048 52.037 0.122 0.000 0.811 2 A CB 1.329 20.453 19.000 0.207 0.000 1.313 2 A HN 1.118 nan 8.150 nan 0.000 0.454 3 A N 0.120 122.993 122.820 0.090 0.000 1.917 3 A HA -0.095 4.269 4.320 0.073 0.000 0.219 3 A C 1.925 179.506 177.584 -0.004 0.000 1.182 3 A CA 2.132 54.196 52.037 0.046 0.000 0.633 3 A CB -0.732 18.294 19.000 0.043 0.000 0.819 3 A HN 1.311 nan 8.150 nan 0.000 0.448 4 L N 0.283 121.459 121.223 -0.079 0.000 2.027 4 L HA -0.112 4.272 4.340 0.073 0.000 0.206 4 L C 2.717 179.406 176.870 -0.302 0.000 1.074 4 L CA 2.945 57.593 54.840 -0.320 0.000 0.745 4 L CB -0.930 40.710 42.059 -0.698 0.000 0.898 4 L HN 0.540 nan 8.230 nan 0.000 0.433 5 T N -3.336 111.123 114.554 -0.159 0.000 2.951 5 T HA -0.138 4.255 4.350 0.073 0.000 0.268 5 T C 2.003 176.809 174.700 0.176 0.000 1.073 5 T CA 1.011 63.173 62.100 0.103 0.000 1.134 5 T CB -0.458 68.511 68.868 0.168 0.000 0.884 5 T HN 0.324 nan 8.240 nan 0.000 0.479 6 R N 1.300 121.862 120.500 0.104 0.000 2.193 6 R HA 0.142 4.526 4.340 0.073 0.000 0.213 6 R C 1.023 177.383 176.300 0.101 0.000 1.055 6 R CA 0.083 56.239 56.100 0.095 0.000 0.995 6 R CB -0.136 30.204 30.300 0.066 0.000 0.893 6 R HN 0.376 nan 8.270 nan 0.000 0.459 7 N N 1.841 120.608 118.700 0.113 0.000 2.452 7 N HA -0.013 4.771 4.740 0.073 0.000 0.266 7 N C -1.782 173.818 175.510 0.150 0.000 1.175 7 N CA -1.229 51.889 53.050 0.113 0.000 0.945 7 N CB 1.376 39.919 38.487 0.094 0.000 1.063 7 N HN -0.071 nan 8.380 nan 0.000 0.472 8 P HA -0.134 nan 4.420 nan 0.000 0.218 8 P C 0.734 178.083 177.300 0.081 0.000 1.149 8 P CA 1.346 64.494 63.100 0.081 0.000 0.817 8 P CB 0.474 32.206 31.700 0.053 0.000 0.785 9 Q N -1.571 118.281 119.800 0.087 0.000 2.167 9 Q HA -0.089 4.295 4.340 0.073 0.000 0.202 9 Q C 1.977 178.045 176.000 0.113 0.000 0.970 9 Q CA 1.007 56.855 55.803 0.075 0.000 0.855 9 Q CB -0.773 27.999 28.738 0.056 0.000 0.911 9 Q HN 0.193 nan 8.270 nan 0.000 0.438 10 F N 0.867 120.832 119.950 0.024 0.000 2.113 10 F HA -0.179 4.393 4.527 0.075 0.000 0.297 10 F C 1.989 177.826 175.800 0.062 0.000 1.103 10 F CA 1.238 59.261 58.000 0.038 0.000 1.248 10 F CB 0.013 39.024 39.000 0.018 0.000 0.999 10 F HN -0.012 nan 8.300 nan 0.000 0.475 11 Q N 0.901 120.683 119.800 -0.030 0.000 2.124 11 Q HA -0.232 4.151 4.340 0.073 0.000 0.202 11 Q C 2.288 178.234 176.000 -0.090 0.000 0.977 11 Q CA 1.650 57.388 55.803 -0.108 0.000 0.850 11 Q CB -0.628 28.130 28.738 0.033 0.000 0.901 11 Q HN 0.514 nan 8.270 nan 0.000 0.429 12 K N 0.594 120.982 120.400 -0.020 0.000 2.002 12 K HA -0.118 4.246 4.320 0.073 0.000 0.209 12 K C 2.137 178.770 176.600 0.055 0.000 1.048 12 K CA 0.777 57.081 56.287 0.029 0.000 0.930 12 K CB -0.221 32.301 32.500 0.037 0.000 0.714 12 K HN 0.154 nan 8.250 nan 0.000 0.438 13 L N 1.155 122.376 121.223 -0.004 0.000 1.990 13 L HA -0.222 4.161 4.340 0.073 0.000 0.213 13 L C 2.486 179.428 176.870 0.120 0.000 1.072 13 L CA 1.426 56.299 54.840 0.054 0.000 0.755 13 L CB -0.430 41.639 42.059 0.017 0.000 0.889 13 L HN 0.339 nan 8.230 nan 0.000 0.432 14 L N 0.272 121.387 121.223 -0.182 0.000 2.046 14 L HA -0.225 4.159 4.340 0.073 0.000 0.208 14 L C 2.458 179.341 176.870 0.022 0.000 1.077 14 L CA 1.893 56.624 54.840 -0.182 0.000 0.747 14 L CB -0.544 41.229 42.059 -0.477 0.000 0.896 14 L HN 0.269 nan 8.230 nan 0.000 0.432 15 E N -1.148 119.067 120.200 0.026 0.000 2.077 15 E HA -0.318 4.076 4.350 0.073 0.000 0.193 15 E C 2.039 178.714 176.600 0.125 0.000 0.989 15 E CA 1.806 58.241 56.400 0.059 0.000 0.800 15 E CB -0.753 28.973 29.700 0.043 0.000 0.746 15 E HN 0.548 nan 8.360 nan 0.000 0.452 16 W N 0.818 122.139 121.300 0.036 0.000 2.338 16 W HA -0.226 4.477 4.660 0.072 0.000 0.304 16 W C 2.517 179.102 176.519 0.110 0.000 1.212 16 W CA 2.257 59.644 57.345 0.070 0.000 1.264 16 W CB -0.491 29.019 29.460 0.084 0.000 1.142 16 W HN 0.306 nan 8.180 nan 0.000 0.512 17 H N 0.479 119.832 119.070 0.471 0.000 2.319 17 H HA -0.179 4.421 4.556 0.073 0.000 0.299 17 H C 2.335 177.622 175.328 -0.067 0.000 1.092 17 H CA 2.289 58.485 56.048 0.245 0.000 1.302 17 H CB -0.325 29.417 29.762 -0.035 0.000 1.373 17 H HN 0.146 nan 8.280 nan 0.000 0.497 18 R N -0.084 120.437 120.500 0.035 0.000 2.096 18 R HA -0.129 4.255 4.340 0.073 0.000 0.240 18 R C 2.450 178.648 176.300 -0.169 0.000 1.139 18 R CA 1.537 57.602 56.100 -0.057 0.000 0.952 18 R CB -0.217 30.076 30.300 -0.013 0.000 0.854 18 R HN 0.379 nan 8.270 nan 0.000 0.436 19 A N -0.152 122.541 122.820 -0.212 0.000 2.021 19 A HA -0.003 4.360 4.320 0.073 0.000 0.216 19 A C 1.373 178.719 177.584 -0.398 0.000 1.163 19 A CA 0.943 52.818 52.037 -0.270 0.000 0.676 19 A CB 0.108 18.955 19.000 -0.255 0.000 0.818 19 A HN 0.334 nan 8.150 nan 0.000 0.453 20 N N -1.094 117.240 118.700 -0.610 0.000 2.266 20 N HA -0.044 4.740 4.740 0.073 0.000 0.217 20 N C 1.722 176.940 175.510 -0.485 0.000 1.211 20 N CA 1.073 53.659 53.050 -0.773 0.000 0.881 20 N CB 0.141 37.577 38.487 -1.752 0.000 1.153 20 N HN 0.505 nan 8.380 nan 0.000 0.489 21 S N 1.348 116.814 115.700 -0.390 0.000 2.383 21 S HA -0.061 4.453 4.470 0.073 0.000 0.229 21 S C 2.087 176.658 174.600 -0.048 0.000 1.030 21 S CA 1.079 59.183 58.200 -0.159 0.000 1.002 21 S CB -0.303 62.461 63.200 -0.728 0.000 0.829 21 S HN 0.253 nan 8.310 nan 0.000 0.467 22 A N 2.119 124.865 122.820 -0.123 0.000 2.125 22 A HA 0.005 4.368 4.320 0.073 0.000 0.219 22 A C 1.786 179.369 177.584 -0.002 0.000 1.156 22 A CA 1.312 53.328 52.037 -0.036 0.000 0.671 22 A CB -0.858 18.106 19.000 -0.061 0.000 0.794 22 A HN 0.776 nan 8.150 nan 0.000 0.459 23 N N -0.862 117.824 118.700 -0.022 0.000 2.336 23 N HA 0.238 5.022 4.740 0.073 0.000 0.189 23 N C -0.508 175.041 175.510 0.065 0.000 1.113 23 N CA -0.186 52.866 53.050 0.003 0.000 0.858 23 N CB 0.203 38.665 38.487 -0.042 0.000 0.970 23 N HN 0.360 nan 8.380 nan 0.000 0.471 24 L N 1.546 122.842 121.223 0.122 0.000 2.283 24 L HA 0.282 4.666 4.340 0.073 0.000 0.287 24 L C -0.319 176.637 176.870 0.144 0.000 1.073 24 L CA -0.035 54.908 54.840 0.173 0.000 0.822 24 L CB 0.614 42.849 42.059 0.294 0.000 1.186 24 L HN -0.081 nan 8.230 nan 0.000 0.436 25 K N 3.881 124.348 120.400 0.111 0.000 2.502 25 K HA 0.328 4.692 4.320 0.073 0.000 0.254 25 K C 0.543 177.208 176.600 0.108 0.000 0.947 25 K CA -0.514 55.835 56.287 0.102 0.000 0.834 25 K CB 2.246 34.794 32.500 0.081 0.000 1.112 25 K HN 0.454 nan 8.250 nan 0.000 0.427 26 L N 1.609 122.911 121.223 0.132 0.000 2.012 26 L HA -0.193 4.191 4.340 0.073 0.000 0.210 26 L C 2.460 179.489 176.870 0.265 0.000 1.073 26 L CA 1.516 56.472 54.840 0.193 0.000 0.748 26 L CB -0.245 41.940 42.059 0.210 0.000 0.891 26 L HN 0.635 nan 8.230 nan 0.000 0.431 27 R N 0.082 120.687 120.500 0.175 0.000 2.096 27 R HA -0.225 4.158 4.340 0.073 0.000 0.240 27 R C 2.215 178.608 176.300 0.155 0.000 1.139 27 R CA 1.973 58.162 56.100 0.148 0.000 0.952 27 R CB -0.152 30.196 30.300 0.081 0.000 0.854 27 R HN 0.415 nan 8.270 nan 0.000 0.436 28 E N 0.075 120.343 120.200 0.114 0.000 2.106 28 E HA -0.136 4.258 4.350 0.073 0.000 0.192 28 E C 2.041 178.686 176.600 0.075 0.000 0.984 28 E CA 0.851 57.302 56.400 0.085 0.000 0.806 28 E CB 0.021 29.760 29.700 0.064 0.000 0.750 28 E HN 0.270 nan 8.360 nan 0.000 0.458 29 L N -0.365 120.892 121.223 0.056 0.000 2.046 29 L HA -0.177 4.206 4.340 0.073 0.000 0.208 29 L C 2.075 178.888 176.870 -0.095 0.000 1.077 29 L CA 1.107 55.918 54.840 -0.049 0.000 0.747 29 L CB -0.316 41.656 42.059 -0.146 0.000 0.896 29 L HN 0.157 nan 8.230 nan 0.000 0.432 30 F N -0.168 119.792 119.950 0.017 0.000 2.146 30 F HA -0.158 4.412 4.527 0.072 0.000 0.298 30 F C 2.702 178.517 175.800 0.026 0.000 1.096 30 F CA 0.984 58.998 58.000 0.023 0.000 1.275 30 F CB -0.138 38.869 39.000 0.012 0.000 1.008 30 F HN 0.007 nan 8.300 nan 0.000 0.480 31 E N 0.202 120.519 120.200 0.194 0.000 2.077 31 E HA -0.177 4.217 4.350 0.073 0.000 0.193 31 E C 2.361 179.009 176.600 0.081 0.000 0.989 31 E CA 1.184 57.653 56.400 0.116 0.000 0.800 31 E CB -0.596 29.155 29.700 0.085 0.000 0.746 31 E HN 0.349 nan 8.360 nan 0.000 0.452 32 A N 0.738 123.596 122.820 0.063 0.000 2.014 32 A HA -0.102 4.261 4.320 0.073 0.000 0.218 32 A C 0.648 178.255 177.584 0.040 0.000 1.163 32 A CA 1.075 53.138 52.037 0.043 0.000 0.652 32 A CB 0.103 19.123 19.000 0.033 0.000 0.808 32 A HN 0.107 nan 8.150 nan 0.000 0.449 33 D N -1.832 118.592 120.400 0.040 0.000 2.386 33 D HA 0.299 4.982 4.640 0.073 0.000 0.247 33 D C -2.168 174.172 176.300 0.066 0.000 1.336 33 D CA -1.644 52.379 54.000 0.039 0.000 0.976 33 D CB 1.481 42.294 40.800 0.021 0.000 1.257 33 D HN -0.064 nan 8.370 nan 0.000 0.570 34 P HA -0.060 nan 4.420 nan 0.000 0.228 34 P C 0.432 177.805 177.300 0.121 0.000 1.151 34 P CA 0.573 63.737 63.100 0.105 0.000 0.770 34 P CB 0.526 32.272 31.700 0.077 0.000 0.786 35 E N -0.553 119.702 120.200 0.093 0.000 2.465 35 E HA 0.049 4.443 4.350 0.073 0.000 0.191 35 E C 1.872 178.533 176.600 0.102 0.000 1.053 35 E CA -0.155 56.298 56.400 0.088 0.000 0.869 35 E CB -0.166 29.558 29.700 0.039 0.000 0.977 35 E HN 0.299 nan 8.360 nan 0.000 0.483 36 R N -0.035 120.537 120.500 0.121 0.000 2.073 36 R HA -0.151 4.232 4.340 0.073 0.000 0.234 36 R C 2.101 178.526 176.300 0.209 0.000 1.134 36 R CA 1.223 57.385 56.100 0.103 0.000 0.952 36 R CB -0.315 29.820 30.300 -0.275 0.000 0.850 36 R HN 0.146 nan 8.270 nan 0.000 0.433 37 F N 2.147 122.190 119.950 0.156 0.000 2.091 37 F HA -0.263 4.307 4.527 0.072 0.000 0.299 37 F C 1.795 177.631 175.800 0.060 0.000 1.103 37 F CA 1.847 59.938 58.000 0.152 0.000 1.228 37 F CB -0.429 38.672 39.000 0.168 0.000 0.984 37 F HN 0.090 nan 8.300 nan 0.000 0.477 38 N N 0.762 119.429 118.700 -0.055 0.000 2.166 38 N HA -0.177 4.607 4.740 0.073 0.000 0.186 38 N C 1.286 176.637 175.510 -0.265 0.000 1.019 38 N CA 1.402 54.337 53.050 -0.191 0.000 0.856 38 N CB -0.639 37.841 38.487 -0.012 0.000 0.993 38 N HN 0.392 nan 8.380 nan 0.000 0.426 39 N N -0.410 118.141 118.700 -0.248 0.000 2.422 39 N HA 0.034 4.818 4.740 0.073 0.000 0.181 39 N C -0.230 174.787 175.510 -0.821 0.000 1.080 39 N CA 0.337 53.101 53.050 -0.477 0.000 0.893 39 N CB 0.132 38.307 38.487 -0.520 0.000 0.973 39 N HN 0.202 nan 8.380 nan 0.000 0.456 40 F N 0.177 119.860 119.950 -0.445 0.000 2.749 40 F HA 0.301 4.871 4.527 0.072 0.000 0.380 40 F C 0.113 175.142 175.800 -1.284 0.000 1.365 40 F CA -0.654 56.803 58.000 -0.906 0.000 1.186 40 F CB 0.375 38.968 39.000 -0.678 0.000 1.080 40 F HN -0.214 nan 8.300 nan 0.000 0.513 41 S N -0.015 115.288 115.700 -0.660 0.000 2.550 41 S HA 0.831 5.345 4.470 0.073 0.000 0.270 41 S C -1.351 173.202 174.600 -0.078 0.000 1.145 41 S CA -0.814 57.162 58.200 -0.373 0.000 0.852 41 S CB 2.051 64.859 63.200 -0.653 0.000 1.119 41 S HN 0.144 nan 8.310 nan 0.000 0.465 42 L N 2.383 123.668 121.223 0.103 0.000 2.372 42 L HA 0.536 4.920 4.340 0.073 0.000 0.274 42 L C -0.584 176.362 176.870 0.126 0.000 0.988 42 L CA -0.700 54.219 54.840 0.131 0.000 0.833 42 L CB 1.793 43.975 42.059 0.206 0.000 1.236 42 L HN 0.743 nan 8.230 nan 0.000 0.410 43 N N 5.114 123.883 118.700 0.115 0.000 2.558 43 N HA 0.334 5.117 4.740 0.073 0.000 0.233 43 N C -1.029 174.578 175.510 0.162 0.000 1.038 43 N CA -0.285 52.865 53.050 0.168 0.000 0.934 43 N CB 0.625 39.223 38.487 0.184 0.000 1.175 43 N HN 0.523 nan 8.380 nan 0.000 0.512 44 L N 2.477 123.776 121.223 0.126 0.000 2.290 44 L HA 0.284 4.667 4.340 0.073 0.000 0.284 44 L C 0.564 177.335 176.870 -0.165 0.000 1.078 44 L CA -0.669 54.213 54.840 0.069 0.000 0.815 44 L CB 0.601 42.707 42.059 0.078 0.000 1.162 44 L HN 0.379 nan 8.230 nan 0.000 0.435 45 N N 1.436 120.000 118.700 -0.226 0.000 2.485 45 N HA 0.107 4.891 4.740 0.073 0.000 0.243 45 N C 0.774 176.070 175.510 -0.356 0.000 0.987 45 N CA -0.358 52.333 53.050 -0.598 0.000 0.940 45 N CB 1.298 39.499 38.487 -0.477 0.000 1.122 45 N HN 0.640 nan 8.380 nan 0.000 0.509 46 T N 0.121 114.288 114.554 -0.645 0.000 3.129 46 T HA 0.075 4.469 4.350 0.073 0.000 0.251 46 T C 0.388 174.801 174.700 -0.479 0.000 1.117 46 T CA -0.036 61.490 62.100 -0.957 0.000 1.034 46 T CB -0.189 68.025 68.868 -1.090 0.000 0.968 46 T HN 0.563 nan 8.240 nan 0.000 0.526 47 N N 1.035 119.499 118.700 -0.393 0.000 2.936 47 N HA -0.162 4.622 4.740 0.073 0.000 0.236 47 N C -0.401 174.632 175.510 -0.795 0.000 0.930 47 N CA 1.624 54.396 53.050 -0.463 0.000 0.966 47 N CB -1.512 36.741 38.487 -0.390 0.000 1.090 47 N HN 0.666 nan 8.380 nan 0.000 0.592 48 H N -0.643 118.171 119.070 -0.427 0.000 2.651 48 H HA 0.534 5.134 4.556 0.073 0.000 0.241 48 H C 1.249 176.416 175.328 -0.268 0.000 1.225 48 H CA 0.564 56.321 56.048 -0.486 0.000 0.942 48 H CB 0.544 29.635 29.762 -1.118 0.000 1.996 48 H HN 0.467 nan 8.280 nan 0.000 0.600 49 G N 0.533 109.285 108.800 -0.080 0.000 2.428 49 G HA2 -0.099 3.904 3.960 0.073 0.000 0.681 49 G HA3 -0.099 3.904 3.960 0.073 0.000 0.681 49 G C -1.375 173.539 174.900 0.024 0.000 1.340 49 G CA -1.027 44.107 45.100 0.057 0.000 0.915 49 G HN 0.380 nan 8.290 nan 0.000 0.645 50 H N -0.495 118.573 119.070 -0.004 0.000 2.479 50 H HA 0.615 5.215 4.556 0.073 0.000 0.335 50 H C -0.096 175.272 175.328 0.067 0.000 1.142 50 H CA -0.303 55.747 56.048 0.003 0.000 1.234 50 H CB 1.922 31.702 29.762 0.030 0.000 1.503 50 H HN 0.375 nan 8.280 nan 0.000 0.510 51 I N 3.848 124.498 120.570 0.134 0.000 2.410 51 I HA 0.042 4.256 4.170 0.073 0.000 0.286 51 I C -0.738 175.498 176.117 0.199 0.000 1.009 51 I CA -0.719 60.694 61.300 0.189 0.000 1.111 51 I CB 1.705 39.765 38.000 0.100 0.000 1.262 51 I HN 0.143 nan 8.210 nan 0.000 0.443 52 L N 8.904 130.272 121.223 0.242 0.000 2.255 52 L HA 0.430 4.814 4.340 0.073 0.000 0.289 52 L C -0.523 176.503 176.870 0.260 0.000 1.046 52 L CA -0.164 54.819 54.840 0.239 0.000 0.816 52 L CB 1.179 43.389 42.059 0.252 0.000 1.197 52 L HN 0.326 nan 8.230 nan 0.000 0.427 53 V N 4.890 124.948 119.914 0.240 0.000 2.288 53 V HA 0.265 4.429 4.120 0.073 0.000 0.266 53 V C -0.308 175.977 176.094 0.318 0.000 1.048 53 V CA -0.578 61.888 62.300 0.276 0.000 0.842 53 V CB 0.777 32.741 31.823 0.235 0.000 1.064 53 V HN 0.716 nan 8.190 nan 0.000 0.472 54 D N 4.310 124.902 120.400 0.319 0.000 2.428 54 D HA 0.197 4.880 4.640 0.073 0.000 0.221 54 D C 0.285 176.772 176.300 0.313 0.000 1.123 54 D CA -0.536 53.629 54.000 0.274 0.000 0.869 54 D CB 0.816 41.852 40.800 0.393 0.000 1.032 54 D HN 0.641 nan 8.370 nan 0.000 0.506 55 Y N 1.473 121.896 120.300 0.205 0.000 2.607 55 Y HA 0.219 4.813 4.550 0.073 0.000 0.266 55 Y C 1.633 177.656 175.900 0.204 0.000 1.178 55 Y CA -0.177 58.048 58.100 0.208 0.000 1.226 55 Y CB -0.314 38.261 38.460 0.191 0.000 1.144 55 Y HN 0.221 nan 8.280 nan 0.000 0.528 56 S N 0.521 116.255 115.700 0.057 0.000 2.423 56 S HA -0.092 4.422 4.470 0.073 0.000 0.231 56 S C 1.141 175.849 174.600 0.180 0.000 1.014 56 S CA 0.449 58.679 58.200 0.049 0.000 0.965 56 S CB -0.321 63.024 63.200 0.240 0.000 0.785 56 S HN 0.520 nan 8.310 nan 0.000 0.495 57 K N 1.760 122.340 120.400 0.300 0.000 2.790 57 K HA 0.250 4.614 4.320 0.073 0.000 0.229 57 K C -0.644 176.081 176.600 0.209 0.000 1.040 57 K CA -0.098 56.368 56.287 0.299 0.000 1.211 57 K CB -0.409 32.177 32.500 0.143 0.000 1.002 57 K HN 0.472 nan 8.250 nan 0.000 0.479 58 N N 0.316 119.128 118.700 0.187 0.000 2.443 58 N HA 0.265 5.048 4.740 0.073 0.000 0.293 58 N C -0.574 175.062 175.510 0.210 0.000 1.159 58 N CA -0.617 52.597 53.050 0.274 0.000 0.904 58 N CB 1.351 40.051 38.487 0.355 0.000 1.214 58 N HN -0.021 nan 8.380 nan 0.000 0.513 59 L N 2.202 123.660 121.223 0.392 0.000 2.437 59 L HA 0.241 4.624 4.340 0.073 0.000 0.243 59 L C -0.646 176.461 176.870 0.395 0.000 1.346 59 L CA -0.385 54.694 54.840 0.398 0.000 1.233 59 L CB -0.994 41.371 42.059 0.510 0.000 1.436 59 L HN 0.287 nan 8.230 nan 0.000 0.416 60 V N -2.049 117.896 119.914 0.052 0.000 3.007 60 V HA 0.880 5.043 4.120 0.073 0.000 0.311 60 V C -0.146 175.795 176.094 -0.256 0.000 1.120 60 V CA -0.590 61.608 62.300 -0.169 0.000 0.980 60 V CB 1.958 33.634 31.823 -0.245 0.000 1.033 60 V HN 0.303 nan 8.190 nan 0.000 0.429 61 S N 1.231 116.822 115.700 -0.181 0.000 2.715 61 S HA 0.526 5.039 4.470 0.073 0.000 0.307 61 S C 0.743 175.419 174.600 0.127 0.000 1.119 61 S CA -0.204 57.975 58.200 -0.036 0.000 0.937 61 S CB 1.892 65.102 63.200 0.016 0.000 1.150 61 S HN 1.029 nan 8.310 nan 0.000 0.521 62 K N 0.402 120.955 120.400 0.256 0.000 2.089 62 K HA -0.214 4.149 4.320 0.073 0.000 0.210 62 K C 1.552 178.118 176.600 -0.056 0.000 1.048 62 K CA 2.143 58.489 56.287 0.099 0.000 0.926 62 K CB -0.357 32.160 32.500 0.028 0.000 0.714 62 K HN 0.656 nan 8.250 nan 0.000 0.448 63 E N 0.038 120.169 120.200 -0.116 0.000 2.072 63 E HA -0.134 4.259 4.350 0.073 0.000 0.191 63 E C 1.936 178.267 176.600 -0.448 0.000 0.985 63 E CA 1.173 57.430 56.400 -0.240 0.000 0.801 63 E CB -0.134 29.442 29.700 -0.206 0.000 0.750 63 E HN 0.083 nan 8.360 nan 0.000 0.452 64 V N 0.749 120.298 119.914 -0.607 0.000 2.287 64 V HA -0.300 3.864 4.120 0.073 0.000 0.248 64 V C 2.164 177.933 176.094 -0.541 0.000 1.053 64 V CA 1.660 63.468 62.300 -0.818 0.000 1.027 64 V CB -0.454 30.766 31.823 -1.005 0.000 0.646 64 V HN 0.322 nan 8.190 nan 0.000 0.447 65 M N -0.618 118.795 119.600 -0.312 0.000 2.159 65 M HA -0.193 4.330 4.480 0.073 0.000 0.263 65 M C 2.224 178.421 176.300 -0.171 0.000 1.063 65 M CA 1.603 56.796 55.300 -0.179 0.000 1.110 65 M CB -1.313 31.295 32.600 0.014 0.000 1.374 65 M HN 0.437 nan 8.290 nan 0.000 0.411 66 Q N -0.374 119.323 119.800 -0.171 0.000 2.061 66 Q HA -0.136 4.247 4.340 0.073 0.000 0.204 66 Q C 2.164 178.073 176.000 -0.153 0.000 0.984 66 Q CA 1.535 57.251 55.803 -0.144 0.000 0.846 66 Q CB -0.180 28.477 28.738 -0.134 0.000 0.902 66 Q HN 0.507 nan 8.270 nan 0.000 0.421 67 M N 0.058 119.530 119.600 -0.213 0.000 2.117 67 M HA -0.179 4.345 4.480 0.073 0.000 0.262 67 M C 2.121 178.341 176.300 -0.133 0.000 1.065 67 M CA 1.299 56.491 55.300 -0.180 0.000 1.114 67 M CB -0.242 32.206 32.600 -0.253 0.000 1.361 67 M HN 0.229 nan 8.290 nan 0.000 0.408 68 L N -0.756 120.364 121.223 -0.172 0.000 2.017 68 L HA -0.177 4.207 4.340 0.073 0.000 0.208 68 L C 2.435 179.254 176.870 -0.085 0.000 1.073 68 L CA 0.862 55.633 54.840 -0.115 0.000 0.745 68 L CB -0.694 41.268 42.059 -0.162 0.000 0.894 68 L HN 0.096 nan 8.230 nan 0.000 0.432 69 V N -0.151 119.705 119.914 -0.098 0.000 2.343 69 V HA -0.289 3.875 4.120 0.073 0.000 0.247 69 V C 2.367 178.424 176.094 -0.062 0.000 1.051 69 V CA 1.860 64.113 62.300 -0.078 0.000 1.036 69 V CB -0.495 31.278 31.823 -0.082 0.000 0.654 69 V HN 0.453 nan 8.190 nan 0.000 0.451 70 E N -0.258 119.904 120.200 -0.063 0.000 2.110 70 E HA -0.250 4.144 4.350 0.073 0.000 0.193 70 E C 2.104 178.688 176.600 -0.027 0.000 0.988 70 E CA 1.351 57.723 56.400 -0.046 0.000 0.804 70 E CB -0.241 29.431 29.700 -0.047 0.000 0.745 70 E HN 0.433 nan 8.360 nan 0.000 0.458 71 L N 0.858 122.071 121.223 -0.018 0.000 2.046 71 L HA -0.122 4.262 4.340 0.073 0.000 0.208 71 L C 2.163 179.024 176.870 -0.014 0.000 1.077 71 L CA 1.974 56.820 54.840 0.010 0.000 0.747 71 L CB -0.621 41.469 42.059 0.052 0.000 0.896 71 L HN 0.047 nan 8.230 nan 0.000 0.432 72 A N -0.593 122.207 122.820 -0.033 0.000 1.908 72 A HA -0.256 4.107 4.320 0.073 0.000 0.218 72 A C 2.355 179.918 177.584 -0.036 0.000 1.181 72 A CA 2.091 54.102 52.037 -0.043 0.000 0.627 72 A CB -0.521 18.453 19.000 -0.043 0.000 0.818 72 A HN 0.507 nan 8.150 nan 0.000 0.445 73 K N -0.636 119.742 120.400 -0.037 0.000 2.057 73 K HA -0.092 4.272 4.320 0.073 0.000 0.207 73 K C 2.434 179.018 176.600 -0.027 0.000 1.049 73 K CA 1.354 57.619 56.287 -0.036 0.000 0.931 73 K CB -0.249 32.226 32.500 -0.041 0.000 0.714 73 K HN 0.410 nan 8.250 nan 0.000 0.440 74 S N 0.416 116.105 115.700 -0.019 0.000 2.399 74 S HA -0.083 4.431 4.470 0.073 0.000 0.231 74 S C 1.612 176.207 174.600 -0.009 0.000 1.022 74 S CA 1.047 59.242 58.200 -0.008 0.000 0.983 74 S CB 0.007 63.211 63.200 0.006 0.000 0.803 74 S HN 0.163 nan 8.310 nan 0.000 0.480 75 R N 0.198 120.687 120.500 -0.019 0.000 2.310 75 R HA 0.184 4.567 4.340 0.073 0.000 0.202 75 R C 1.420 177.705 176.300 -0.025 0.000 0.933 75 R CA 0.647 56.731 56.100 -0.028 0.000 1.054 75 R CB -0.718 29.550 30.300 -0.054 0.000 0.985 75 R HN 0.499 nan 8.270 nan 0.000 0.489 76 G N 0.895 109.683 108.800 -0.020 0.000 2.198 76 G HA2 -0.261 3.743 3.960 0.073 0.000 0.257 76 G HA3 -0.261 3.743 3.960 0.073 0.000 0.257 76 G C 0.919 175.819 174.900 -0.001 0.000 1.042 76 G CA 0.378 45.470 45.100 -0.012 0.000 0.791 76 G HN 0.188 nan 8.290 nan 0.000 0.502 77 V N -0.170 119.740 119.914 -0.007 0.000 2.287 77 V HA -0.234 3.930 4.120 0.073 0.000 0.248 77 V C 2.649 178.773 176.094 0.050 0.000 1.053 77 V CA 2.992 65.311 62.300 0.032 0.000 1.027 77 V CB -0.480 31.362 31.823 0.032 0.000 0.646 77 V HN 0.681 nan 8.190 nan 0.000 0.447 78 E N 0.068 120.249 120.200 -0.031 0.000 2.077 78 E HA -0.189 4.205 4.350 0.073 0.000 0.193 78 E C 2.319 178.869 176.600 -0.083 0.000 0.989 78 E CA 1.322 57.657 56.400 -0.108 0.000 0.800 78 E CB -0.387 29.232 29.700 -0.136 0.000 0.746 78 E HN 0.606 nan 8.360 nan 0.000 0.452 79 A N 1.449 124.247 122.820 -0.037 0.000 1.902 79 A HA -0.129 4.235 4.320 0.073 0.000 0.217 79 A C 2.394 180.005 177.584 0.044 0.000 1.181 79 A CA 1.719 53.746 52.037 -0.017 0.000 0.623 79 A CB -0.702 18.292 19.000 -0.009 0.000 0.818 79 A HN 0.298 nan 8.150 nan 0.000 0.443 80 A N -0.221 122.667 122.820 0.113 0.000 1.902 80 A HA -0.181 4.182 4.320 0.073 0.000 0.217 80 A C 2.277 180.108 177.584 0.413 0.000 1.181 80 A CA 1.767 53.957 52.037 0.255 0.000 0.623 80 A CB -0.545 18.596 19.000 0.235 0.000 0.818 80 A HN 0.575 nan 8.150 nan 0.000 0.443 81 R N -0.253 120.454 120.500 0.346 0.000 2.083 81 R HA -0.193 4.191 4.340 0.073 0.000 0.237 81 R C 1.400 177.678 176.300 -0.037 0.000 1.137 81 R CA 2.057 58.212 56.100 0.091 0.000 0.951 81 R CB -0.525 29.608 30.300 -0.277 0.000 0.851 81 R HN 0.419 nan 8.270 nan 0.000 0.434 82 D N 0.507 120.838 120.400 -0.115 0.000 2.123 82 D HA -0.150 4.534 4.640 0.073 0.000 0.196 82 D C 1.622 177.911 176.300 -0.017 0.000 0.992 82 D CA 1.034 54.957 54.000 -0.128 0.000 0.833 82 D CB -0.472 40.240 40.800 -0.145 0.000 0.954 82 D HN 0.286 nan 8.370 nan 0.000 0.455 83 N N 0.291 119.006 118.700 0.025 0.000 2.120 83 N HA -0.132 4.652 4.740 0.073 0.000 0.188 83 N C 1.836 177.355 175.510 0.015 0.000 1.024 83 N CA 0.518 53.588 53.050 0.034 0.000 0.852 83 N CB -0.344 38.189 38.487 0.077 0.000 1.003 83 N HN 0.292 nan 8.380 nan 0.000 0.424 84 M N -0.384 119.233 119.600 0.030 0.000 2.065 84 M HA -0.154 4.369 4.480 0.073 0.000 0.259 84 M C 1.449 177.627 176.300 -0.204 0.000 1.069 84 M CA 1.656 56.880 55.300 -0.127 0.000 1.110 84 M CB -0.183 32.239 32.600 -0.297 0.000 1.328 84 M HN -0.065 nan 8.290 nan 0.000 0.405 85 F N 0.427 120.207 119.950 -0.283 0.000 2.365 85 F HA -0.118 4.454 4.527 0.075 0.000 0.300 85 F C 2.713 178.372 175.800 -0.236 0.000 1.090 85 F CA 1.558 59.394 58.000 -0.275 0.000 1.408 85 F CB -0.463 38.376 39.000 -0.269 0.000 1.060 85 F HN 0.401 nan 8.300 nan 0.000 0.534 86 S N -1.153 114.528 115.700 -0.031 0.000 2.575 86 S HA 0.339 4.853 4.470 0.073 0.000 0.215 86 S C 1.687 176.204 174.600 -0.138 0.000 0.966 86 S CA 0.381 58.533 58.200 -0.079 0.000 0.911 86 S CB 0.013 63.178 63.200 -0.057 0.000 0.780 86 S HN 0.519 nan 8.310 nan 0.000 0.514 87 G N 0.821 109.509 108.800 -0.186 0.000 2.132 87 G HA2 -0.236 3.768 3.960 0.073 0.000 0.234 87 G HA3 -0.236 3.768 3.960 0.073 0.000 0.234 87 G C 0.077 174.894 174.900 -0.140 0.000 0.989 87 G CA 0.034 44.995 45.100 -0.232 0.000 0.676 87 G HN 0.628 nan 8.290 nan 0.000 0.522 88 S N -0.100 115.551 115.700 -0.081 0.000 2.568 88 S HA 0.280 4.794 4.470 0.073 0.000 0.282 88 S C 0.870 175.470 174.600 -0.000 0.000 1.338 88 S CA 0.154 58.341 58.200 -0.022 0.000 1.045 88 S CB 0.843 64.050 63.200 0.012 0.000 0.873 88 S HN 0.413 nan 8.310 nan 0.000 0.516 89 K N 2.290 122.716 120.400 0.043 0.000 2.502 89 K HA 0.142 4.506 4.320 0.073 0.000 0.244 89 K C 1.111 177.795 176.600 0.139 0.000 1.249 89 K CA -0.044 56.291 56.287 0.080 0.000 1.193 89 K CB -0.585 31.973 32.500 0.095 0.000 1.674 89 K HN 0.602 nan 8.250 nan 0.000 0.302 90 I N -2.353 118.296 120.570 0.132 0.000 3.001 90 I HA -0.065 4.149 4.170 0.073 0.000 0.268 90 I C 0.709 176.984 176.117 0.262 0.000 1.267 90 I CA 0.312 61.755 61.300 0.238 0.000 1.472 90 I CB -0.068 38.080 38.000 0.247 0.000 1.089 90 I HN 0.130 nan 8.210 nan 0.000 0.468 91 N N 1.803 120.596 118.700 0.155 0.000 2.739 91 N HA -0.034 4.749 4.740 0.073 0.000 0.266 91 N C 0.591 176.149 175.510 0.081 0.000 1.168 91 N CA -0.284 52.820 53.050 0.090 0.000 1.055 91 N CB -0.061 38.499 38.487 0.121 0.000 1.393 91 N HN 0.535 nan 8.380 nan 0.000 0.514 92 Y N 0.469 120.889 120.300 0.201 0.000 2.395 92 Y HA 0.040 4.637 4.550 0.080 0.000 0.293 92 Y C 2.146 178.160 175.900 0.191 0.000 1.123 92 Y CA 0.933 59.135 58.100 0.170 0.000 1.227 92 Y CB -1.026 37.521 38.460 0.146 0.000 1.012 92 Y HN 0.311 nan 8.280 nan 0.000 0.552 93 T N -1.926 112.739 114.554 0.185 0.000 2.951 93 T HA -0.058 4.335 4.350 0.073 0.000 0.268 93 T C 1.209 176.136 174.700 0.378 0.000 1.073 93 T CA 1.355 63.662 62.100 0.345 0.000 1.134 93 T CB -0.263 68.905 68.868 0.499 0.000 0.884 93 T HN 0.568 nan 8.240 nan 0.000 0.479 94 E N 0.642 121.004 120.200 0.271 0.000 2.498 94 E HA 0.128 4.522 4.350 0.073 0.000 0.203 94 E C -0.147 176.565 176.600 0.187 0.000 1.013 94 E CA -0.026 56.520 56.400 0.244 0.000 0.927 94 E CB 0.182 29.965 29.700 0.139 0.000 1.012 94 E HN 0.410 nan 8.360 nan 0.000 0.482 95 D N 1.706 122.218 120.400 0.186 0.000 2.735 95 D HA -0.197 4.486 4.640 0.073 0.000 0.235 95 D C -0.893 175.494 176.300 0.146 0.000 1.175 95 D CA 0.835 54.933 54.000 0.163 0.000 0.683 95 D CB -0.645 40.242 40.800 0.146 0.000 1.008 95 D HN 0.110 nan 8.370 nan 0.000 0.416 96 R N -0.148 120.439 120.500 0.145 0.000 2.807 96 R HA 0.831 5.214 4.340 0.073 0.000 0.276 96 R C 0.111 176.489 176.300 0.130 0.000 0.979 96 R CA -0.479 55.715 56.100 0.155 0.000 0.928 96 R CB 1.615 32.012 30.300 0.162 0.000 1.191 96 R HN 0.168 nan 8.270 nan 0.000 0.471 97 A N 1.253 124.157 122.820 0.140 0.000 2.366 97 A HA 0.391 4.755 4.320 0.073 0.000 0.250 97 A C -0.355 177.256 177.584 0.044 0.000 1.099 97 A CA -0.205 51.853 52.037 0.034 0.000 0.794 97 A CB 0.586 19.529 19.000 -0.096 0.000 1.056 97 A HN 0.377 nan 8.150 nan 0.000 0.499 98 V N 1.403 121.230 119.914 -0.145 0.000 2.380 98 V HA 0.297 4.461 4.120 0.073 0.000 0.272 98 V C -0.310 175.546 176.094 -0.396 0.000 1.011 98 V CA 0.139 62.263 62.300 -0.293 0.000 0.826 98 V CB 0.500 31.873 31.823 -0.751 0.000 1.040 98 V HN 0.702 nan 8.190 nan 0.000 0.441 99 L N 4.686 125.824 121.223 -0.142 0.000 3.193 99 L HA 0.297 4.680 4.340 0.073 0.000 0.305 99 L C 1.844 178.688 176.870 -0.045 0.000 1.299 99 L CA -0.267 54.388 54.840 -0.309 0.000 0.904 99 L CB 0.175 41.835 42.059 -0.664 0.000 1.331 99 L HN 0.792 nan 8.230 nan 0.000 0.588 100 H N -0.551 118.540 119.070 0.035 0.000 2.457 100 H HA -0.114 4.486 4.556 0.073 0.000 0.297 100 H C 1.949 177.202 175.328 -0.126 0.000 1.092 100 H CA 1.682 57.782 56.048 0.087 0.000 1.309 100 H CB -0.681 29.165 29.762 0.140 0.000 1.382 100 H HN 0.435 nan 8.280 nan 0.000 0.535 101 V N -0.466 119.128 119.914 -0.534 0.000 2.626 101 V HA -0.009 4.155 4.120 0.073 0.000 0.252 101 V C 2.782 178.701 176.094 -0.292 0.000 1.067 101 V CA 1.280 63.292 62.300 -0.480 0.000 1.081 101 V CB -1.138 30.149 31.823 -0.894 0.000 0.686 101 V HN 0.487 nan 8.190 nan 0.000 0.468 102 A N 0.885 123.542 122.820 -0.272 0.000 1.930 102 A HA 0.041 4.404 4.320 0.073 0.000 0.217 102 A C 2.193 179.764 177.584 -0.021 0.000 1.175 102 A CA 1.836 53.755 52.037 -0.196 0.000 0.627 102 A CB -0.625 18.148 19.000 -0.378 0.000 0.815 102 A HN 0.587 nan 8.150 nan 0.000 0.443 103 L N -0.260 121.037 121.223 0.123 0.000 2.127 103 L HA -0.164 4.219 4.340 0.073 0.000 0.211 103 L C 2.333 179.282 176.870 0.131 0.000 1.089 103 L CA 1.607 56.597 54.840 0.250 0.000 0.757 103 L CB -0.396 41.903 42.059 0.399 0.000 0.899 103 L HN 0.551 nan 8.230 nan 0.000 0.434 104 R N -0.554 119.944 120.500 -0.004 0.000 2.586 104 R HA 0.095 4.478 4.340 0.073 0.000 0.336 104 R C 0.137 176.348 176.300 -0.149 0.000 1.060 104 R CA -0.209 55.848 56.100 -0.072 0.000 1.079 104 R CB -0.734 29.467 30.300 -0.166 0.000 1.317 104 R HN 0.044 nan 8.270 nan 0.000 0.568 105 N N 2.313 120.918 118.700 -0.157 0.000 2.605 105 N HA 0.005 4.788 4.740 0.073 0.000 0.282 105 N C 0.567 175.826 175.510 -0.419 0.000 1.206 105 N CA -0.158 52.721 53.050 -0.285 0.000 1.074 105 N CB 0.502 38.909 38.487 -0.132 0.000 1.434 105 N HN 0.057 nan 8.380 nan 0.000 0.506 106 R N 0.593 120.627 120.500 -0.777 0.000 2.152 106 R HA -0.094 4.290 4.340 0.073 0.000 0.232 106 R C 1.854 178.008 176.300 -0.244 0.000 1.117 106 R CA 1.096 56.954 56.100 -0.403 0.000 0.981 106 R CB -1.133 28.997 30.300 -0.284 0.000 0.870 106 R HN 0.665 nan 8.270 nan 0.000 0.451 107 S N 0.982 116.512 115.700 -0.282 0.000 2.447 107 S HA -0.124 4.390 4.470 0.073 0.000 0.233 107 S C 0.698 175.274 174.600 -0.041 0.000 1.006 107 S CA 0.709 58.881 58.200 -0.047 0.000 0.957 107 S CB -0.187 63.056 63.200 0.072 0.000 0.773 107 S HN 0.301 nan 8.310 nan 0.000 0.507 108 N N 0.630 119.286 118.700 -0.073 0.000 2.753 108 N HA -0.125 4.658 4.740 0.073 0.000 0.251 108 N C -0.727 174.760 175.510 -0.038 0.000 1.097 108 N CA 1.404 54.425 53.050 -0.048 0.000 0.786 108 N CB -2.490 35.982 38.487 -0.024 0.000 1.137 108 N HN 0.569 nan 8.380 nan 0.000 0.566 109 T N 2.504 117.040 114.554 -0.031 0.000 2.871 109 T HA 0.152 4.545 4.350 0.073 0.000 0.296 109 T C -2.128 172.540 174.700 -0.053 0.000 0.998 109 T CA -0.346 61.736 62.100 -0.030 0.000 1.162 109 T CB 0.704 69.564 68.868 -0.013 0.000 0.947 109 T HN 0.032 nan 8.240 nan 0.000 0.536 110 P HA 0.171 nan 4.420 nan 0.000 0.264 110 P C -0.563 176.675 177.300 -0.104 0.000 1.183 110 P CA 0.187 63.239 63.100 -0.079 0.000 0.763 110 P CB 0.249 31.910 31.700 -0.065 0.000 0.807 111 I N 3.467 123.947 120.570 -0.151 0.000 2.447 111 I HA 0.284 4.497 4.170 0.073 0.000 0.287 111 I C 0.357 176.335 176.117 -0.231 0.000 1.023 111 I CA -0.687 60.494 61.300 -0.198 0.000 1.083 111 I CB 1.636 39.476 38.000 -0.268 0.000 1.245 111 I HN 0.068 nan 8.210 nan 0.000 0.434 112 K N 5.380 125.666 120.400 -0.191 0.000 2.156 112 K HA 0.699 5.063 4.320 0.073 0.000 0.271 112 K C -1.064 175.418 176.600 -0.197 0.000 0.995 112 K CA -0.756 55.430 56.287 -0.168 0.000 0.890 112 K CB 2.643 35.079 32.500 -0.107 0.000 1.073 112 K HN 0.254 nan 8.250 nan 0.000 0.454 113 V N 3.279 123.083 119.914 -0.184 0.000 2.483 113 V HA 0.086 4.249 4.120 0.073 0.000 0.297 113 V C -0.514 175.549 176.094 -0.052 0.000 1.027 113 V CA -0.676 61.541 62.300 -0.140 0.000 0.855 113 V CB 1.386 33.097 31.823 -0.186 0.000 0.995 113 V HN 0.875 nan 8.190 nan 0.000 0.424 114 D N 4.225 124.609 120.400 -0.026 0.000 2.723 114 D HA -0.187 4.497 4.640 0.073 0.000 0.236 114 D C 1.303 177.597 176.300 -0.011 0.000 1.138 114 D CA 1.638 55.637 54.000 -0.001 0.000 0.676 114 D CB -1.070 39.746 40.800 0.027 0.000 1.069 114 D HN 1.451 nan 8.370 nan 0.000 0.430 115 G N -0.260 108.522 108.800 -0.029 0.000 2.162 115 G HA2 -0.374 3.630 3.960 0.073 0.000 0.260 115 G HA3 -0.374 3.630 3.960 0.073 0.000 0.260 115 G C 0.294 175.173 174.900 -0.034 0.000 0.976 115 G CA 0.847 45.930 45.100 -0.029 0.000 0.655 115 G HN 0.581 nan 8.290 nan 0.000 0.533 116 K N 0.572 120.947 120.400 -0.043 0.000 2.376 116 K HA 0.403 4.767 4.320 0.073 0.000 0.257 116 K C -0.917 175.635 176.600 -0.080 0.000 0.939 116 K CA -0.894 55.367 56.287 -0.044 0.000 0.809 116 K CB 1.003 33.491 32.500 -0.019 0.000 1.121 116 K HN 0.032 nan 8.250 nan 0.000 0.425 117 D N 3.079 123.432 120.400 -0.079 0.000 2.450 117 D HA -0.053 4.631 4.640 0.073 0.000 0.247 117 D C 1.085 177.306 176.300 -0.132 0.000 1.162 117 D CA -0.007 53.928 54.000 -0.108 0.000 0.879 117 D CB 1.321 42.074 40.800 -0.078 0.000 1.163 117 D HN 0.331 nan 8.370 nan 0.000 0.472 118 V N 2.159 121.948 119.914 -0.209 0.000 3.235 118 V HA -0.080 4.084 4.120 0.073 0.000 0.259 118 V C 1.977 177.943 176.094 -0.213 0.000 1.133 118 V CA 0.260 62.405 62.300 -0.258 0.000 1.128 118 V CB -0.348 31.191 31.823 -0.473 0.000 0.757 118 V HN 0.412 nan 8.190 nan 0.000 0.469 119 M N 0.821 120.328 119.600 -0.154 0.000 2.117 119 M HA 0.046 4.569 4.480 0.073 0.000 0.262 119 M C 0.218 176.496 176.300 -0.036 0.000 1.065 119 M CA 1.413 56.658 55.300 -0.091 0.000 1.114 119 M CB -2.620 29.934 32.600 -0.075 0.000 1.361 119 M HN 0.327 nan 8.290 nan 0.000 0.408 120 P HA -0.157 nan 4.420 nan 0.000 0.216 120 P C 1.506 178.836 177.300 0.050 0.000 1.153 120 P CA 1.229 64.338 63.100 0.015 0.000 0.858 120 P CB -0.068 31.637 31.700 0.009 0.000 0.789 121 E N -0.697 119.514 120.200 0.020 0.000 2.107 121 E HA -0.075 4.319 4.350 0.073 0.000 0.191 121 E C 2.142 178.865 176.600 0.205 0.000 0.982 121 E CA 0.731 57.202 56.400 0.118 0.000 0.809 121 E CB -0.948 28.803 29.700 0.086 0.000 0.756 121 E HN 0.052 nan 8.360 nan 0.000 0.459 122 V N 2.670 122.585 119.914 0.002 0.000 2.252 122 V HA -0.289 3.874 4.120 0.073 0.000 0.249 122 V C 1.972 178.242 176.094 0.295 0.000 1.056 122 V CA 1.927 64.347 62.300 0.200 0.000 1.022 122 V CB -0.527 31.359 31.823 0.106 0.000 0.641 122 V HN 0.232 nan 8.190 nan 0.000 0.445 123 N N -0.277 118.535 118.700 0.186 0.000 2.244 123 N HA -0.141 4.642 4.740 0.073 0.000 0.183 123 N C 1.953 177.578 175.510 0.192 0.000 1.016 123 N CA 1.185 54.346 53.050 0.184 0.000 0.866 123 N CB -0.455 38.102 38.487 0.118 0.000 0.980 123 N HN 0.475 nan 8.380 nan 0.000 0.430 124 R N 1.030 121.642 120.500 0.186 0.000 2.081 124 R HA -0.052 4.331 4.340 0.073 0.000 0.235 124 R C 1.749 178.169 176.300 0.200 0.000 1.131 124 R CA 1.096 57.296 56.100 0.167 0.000 0.960 124 R CB -0.118 30.275 30.300 0.156 0.000 0.856 124 R HN -0.035 nan 8.270 nan 0.000 0.436 125 V N 1.404 121.497 119.914 0.299 0.000 2.358 125 V HA -0.221 3.943 4.120 0.073 0.000 0.246 125 V C 2.411 178.702 176.094 0.330 0.000 1.047 125 V CA 1.523 64.012 62.300 0.316 0.000 1.035 125 V CB -0.382 31.684 31.823 0.404 0.000 0.658 125 V HN 0.327 nan 8.190 nan 0.000 0.452 126 L N -0.139 121.303 121.223 0.365 0.000 2.042 126 L HA -0.213 4.171 4.340 0.073 0.000 0.210 126 L C 2.392 179.379 176.870 0.196 0.000 1.076 126 L CA 1.644 56.742 54.840 0.429 0.000 0.749 126 L CB -0.722 41.645 42.059 0.513 0.000 0.893 126 L HN 0.345 nan 8.230 nan 0.000 0.432 127 D N -0.162 120.314 120.400 0.127 0.000 2.144 127 D HA -0.199 4.485 4.640 0.073 0.000 0.199 127 D C 2.103 178.398 176.300 -0.009 0.000 0.984 127 D CA 1.076 55.076 54.000 0.001 0.000 0.834 127 D CB -0.050 40.778 40.800 0.046 0.000 0.955 127 D HN 0.231 nan 8.370 nan 0.000 0.465 128 K N 0.145 120.598 120.400 0.087 0.000 2.057 128 K HA -0.089 4.274 4.320 0.073 0.000 0.207 128 K C 2.180 178.950 176.600 0.282 0.000 1.049 128 K CA 0.815 57.178 56.287 0.127 0.000 0.931 128 K CB -0.042 32.492 32.500 0.056 0.000 0.714 128 K HN 0.063 nan 8.250 nan 0.000 0.440 129 M N 0.723 120.504 119.600 0.302 0.000 2.080 129 M HA -0.203 4.320 4.480 0.073 0.000 0.260 129 M C 2.343 178.623 176.300 -0.035 0.000 1.068 129 M CA 1.719 57.157 55.300 0.230 0.000 1.109 129 M CB -0.251 32.498 32.600 0.247 0.000 1.342 129 M HN 0.087 nan 8.290 nan 0.000 0.405 130 K N -0.248 119.832 120.400 -0.534 0.000 2.026 130 K HA -0.189 4.175 4.320 0.073 0.000 0.208 130 K C 2.238 178.682 176.600 -0.259 0.000 1.048 130 K CA 1.876 57.631 56.287 -0.886 0.000 0.929 130 K CB -0.207 31.527 32.500 -1.278 0.000 0.713 130 K HN 0.192 nan 8.250 nan 0.000 0.439 131 S N -0.124 115.515 115.700 -0.101 0.000 2.356 131 S HA -0.180 4.333 4.470 0.073 0.000 0.223 131 S C 1.798 176.472 174.600 0.123 0.000 1.032 131 S CA 1.213 59.430 58.200 0.028 0.000 1.005 131 S CB -0.500 62.743 63.200 0.071 0.000 0.867 131 S HN 0.445 nan 8.310 nan 0.000 0.449 132 F N 1.863 121.837 119.950 0.040 0.000 2.102 132 F HA -0.099 4.472 4.527 0.074 0.000 0.298 132 F C 2.552 178.319 175.800 -0.055 0.000 1.105 132 F CA 1.243 59.265 58.000 0.037 0.000 1.239 132 F CB -1.066 38.018 39.000 0.140 0.000 0.991 132 F HN 0.320 nan 8.300 nan 0.000 0.474 133 C N 0.308 119.549 119.300 -0.098 0.000 2.413 133 C HA -0.205 4.298 4.460 0.073 0.000 0.276 133 C C 2.832 177.730 174.990 -0.154 0.000 1.248 133 C CA 1.335 60.247 59.018 -0.176 0.000 1.742 133 C CB -1.179 26.558 27.740 -0.004 0.000 2.017 133 C HN 0.558 nan 8.230 nan 0.000 0.481 134 Q N 1.015 120.769 119.800 -0.077 0.000 2.061 134 Q HA -0.186 4.197 4.340 0.073 0.000 0.204 134 Q C 2.381 178.352 176.000 -0.049 0.000 0.984 134 Q CA 1.716 57.494 55.803 -0.042 0.000 0.846 134 Q CB -0.307 28.424 28.738 -0.011 0.000 0.902 134 Q HN 0.647 nan 8.270 nan 0.000 0.421 135 R N -0.689 119.782 120.500 -0.047 0.000 2.081 135 R HA -0.092 4.291 4.340 0.073 0.000 0.235 135 R C 2.463 178.745 176.300 -0.031 0.000 1.131 135 R CA 1.494 57.610 56.100 0.027 0.000 0.960 135 R CB -0.208 30.204 30.300 0.186 0.000 0.856 135 R HN 0.116 nan 8.270 nan 0.000 0.436 136 V N 0.682 120.423 119.914 -0.289 0.000 2.323 136 V HA -0.178 3.985 4.120 0.073 0.000 0.244 136 V C 2.219 178.216 176.094 -0.162 0.000 1.041 136 V CA 1.607 63.708 62.300 -0.332 0.000 1.025 136 V CB -0.427 30.956 31.823 -0.735 0.000 0.656 136 V HN 0.251 nan 8.190 nan 0.000 0.451 137 R N 0.946 121.354 120.500 -0.154 0.000 2.120 137 R HA -0.119 4.265 4.340 0.073 0.000 0.234 137 R C 2.474 178.753 176.300 -0.036 0.000 1.123 137 R CA 1.577 57.629 56.100 -0.080 0.000 0.975 137 R CB -0.454 29.809 30.300 -0.062 0.000 0.866 137 R HN 0.682 nan 8.270 nan 0.000 0.446 138 S N -0.949 114.736 115.700 -0.025 0.000 2.515 138 S HA 0.034 4.547 4.470 0.073 0.000 0.231 138 S C 1.543 176.149 174.600 0.011 0.000 0.987 138 S CA 0.696 58.895 58.200 -0.001 0.000 0.936 138 S CB 0.346 63.550 63.200 0.007 0.000 0.766 138 S HN 0.524 nan 8.310 nan 0.000 0.528 139 G N 0.981 109.791 108.800 0.016 0.000 2.176 139 G HA2 -0.265 3.739 3.960 0.073 0.000 0.253 139 G HA3 -0.265 3.739 3.960 0.073 0.000 0.253 139 G C 0.435 175.369 174.900 0.056 0.000 0.979 139 G CA 0.392 45.513 45.100 0.035 0.000 0.641 139 G HN 0.498 nan 8.290 nan 0.000 0.530 140 D N -0.819 119.618 120.400 0.063 0.000 2.117 140 D HA -0.028 4.656 4.640 0.073 0.000 0.197 140 D C 1.227 177.584 176.300 0.095 0.000 0.987 140 D CA 0.606 54.645 54.000 0.065 0.000 0.829 140 D CB -0.094 40.744 40.800 0.063 0.000 0.961 140 D HN 0.515 nan 8.370 nan 0.000 0.460 141 W N 2.691 123.960 121.300 -0.053 0.000 2.381 141 W HA 0.085 4.789 4.660 0.074 0.000 0.321 141 W C -0.202 176.292 176.519 -0.041 0.000 1.407 141 W CA 0.099 57.415 57.345 -0.048 0.000 1.274 141 W CB 0.290 29.688 29.460 -0.103 0.000 1.310 141 W HN -0.233 nan 8.180 nan 0.000 0.551 142 K N 4.677 124.984 120.400 -0.155 0.000 2.203 142 K HA 0.482 4.846 4.320 0.073 0.000 0.251 142 K C 0.492 177.055 176.600 -0.061 0.000 0.944 142 K CA -0.604 55.656 56.287 -0.044 0.000 0.829 142 K CB 1.721 34.184 32.500 -0.062 0.000 1.125 142 K HN 0.599 nan 8.250 nan 0.000 0.430 143 G N 0.468 109.316 108.800 0.080 0.000 2.553 143 G HA2 0.034 4.038 3.960 0.073 0.000 0.278 143 G HA3 0.034 4.038 3.960 0.073 0.000 0.278 143 G C 0.680 175.780 174.900 0.333 0.000 1.349 143 G CA -0.151 45.069 45.100 0.201 0.000 1.037 143 G HN 0.736 nan 8.290 nan 0.000 0.508 144 Y N -1.940 118.743 120.300 0.637 0.000 2.497 144 Y HA 0.018 4.612 4.550 0.073 0.000 0.292 144 Y C 2.190 178.189 175.900 0.166 0.000 1.137 144 Y CA 1.442 59.753 58.100 0.352 0.000 1.285 144 Y CB -0.345 38.341 38.460 0.377 0.000 0.991 144 Y HN 0.334 nan 8.280 nan 0.000 0.556 145 T N -3.640 110.678 114.554 -0.393 0.000 3.092 145 T HA 0.482 4.876 4.350 0.073 0.000 0.258 145 T C 1.358 175.982 174.700 -0.126 0.000 1.031 145 T CA 0.106 62.011 62.100 -0.325 0.000 0.925 145 T CB -0.062 68.520 68.868 -0.477 0.000 1.036 145 T HN 0.865 nan 8.240 nan 0.000 0.544 146 G N 1.403 110.170 108.800 -0.055 0.000 2.132 146 G HA2 -0.192 3.812 3.960 0.073 0.000 0.228 146 G HA3 -0.192 3.812 3.960 0.073 0.000 0.228 146 G C -0.248 174.644 174.900 -0.013 0.000 1.000 146 G CA -0.214 44.870 45.100 -0.027 0.000 0.693 146 G HN 0.658 nan 8.290 nan 0.000 0.515 147 K N 0.510 120.912 120.400 0.004 0.000 2.156 147 K HA 0.627 4.991 4.320 0.073 0.000 0.254 147 K C 0.447 177.085 176.600 0.062 0.000 0.950 147 K CA -0.597 55.705 56.287 0.025 0.000 0.849 147 K CB 1.478 33.991 32.500 0.022 0.000 1.100 147 K HN 0.119 nan 8.250 nan 0.000 0.434 148 S N 1.689 117.424 115.700 0.058 0.000 2.573 148 S HA 0.116 4.630 4.470 0.073 0.000 0.277 148 S C 0.482 175.136 174.600 0.089 0.000 1.346 148 S CA -0.501 57.744 58.200 0.075 0.000 1.034 148 S CB 0.251 63.482 63.200 0.051 0.000 0.879 148 S HN 0.309 nan 8.310 nan 0.000 0.528 149 I N 3.081 123.707 120.570 0.094 0.000 2.496 149 I HA 0.087 4.300 4.170 0.073 0.000 0.285 149 I C 1.683 177.822 176.117 0.037 0.000 1.080 149 I CA 0.304 61.644 61.300 0.067 0.000 1.404 149 I CB 0.481 38.486 38.000 0.008 0.000 1.403 149 I HN 0.871 nan 8.210 nan 0.000 0.539 150 T N 0.496 115.081 114.554 0.052 0.000 2.971 150 T HA 0.240 4.633 4.350 0.073 0.000 0.252 150 T C 0.371 175.114 174.700 0.072 0.000 1.022 150 T CA -0.096 62.039 62.100 0.059 0.000 0.980 150 T CB 0.544 69.459 68.868 0.078 0.000 1.044 150 T HN 0.513 nan 8.240 nan 0.000 0.501 151 D N 1.563 121.991 120.400 0.046 0.000 2.896 151 D HA 0.468 5.152 4.640 0.073 0.000 0.241 151 D C -0.858 175.396 176.300 -0.077 0.000 1.188 151 D CA -0.559 53.482 54.000 0.068 0.000 0.879 151 D CB 2.897 43.741 40.800 0.073 0.000 1.553 151 D HN 0.476 nan 8.370 nan 0.000 0.515 152 I N -1.185 119.343 120.570 -0.069 0.000 2.474 152 I HA 0.614 4.828 4.170 0.073 0.000 0.294 152 I C -1.047 174.919 176.117 -0.252 0.000 1.005 152 I CA -0.943 60.227 61.300 -0.216 0.000 1.113 152 I CB 1.450 39.326 38.000 -0.207 0.000 1.289 152 I HN 0.093 nan 8.210 nan 0.000 0.436 153 I N 4.659 124.984 120.570 -0.407 0.000 2.439 153 I HA 0.326 4.540 4.170 0.073 0.000 0.283 153 I C -0.325 175.623 176.117 -0.282 0.000 1.023 153 I CA -0.231 60.847 61.300 -0.370 0.000 1.100 153 I CB 1.344 39.040 38.000 -0.506 0.000 1.238 153 I HN 0.594 nan 8.210 nan 0.000 0.445 154 N N 6.492 124.965 118.700 -0.377 0.000 2.458 154 N HA 0.496 5.280 4.740 0.073 0.000 0.270 154 N C -1.024 174.430 175.510 -0.092 0.000 1.102 154 N CA -0.027 52.881 53.050 -0.237 0.000 0.967 154 N CB 0.712 39.022 38.487 -0.295 0.000 1.078 154 N HN 0.476 nan 8.380 nan 0.000 0.471 155 I N 2.803 123.356 120.570 -0.028 0.000 2.382 155 I HA 0.607 4.821 4.170 0.073 0.000 0.286 155 I C 0.562 176.661 176.117 -0.030 0.000 1.002 155 I CA -0.549 60.738 61.300 -0.023 0.000 1.135 155 I CB 1.439 39.430 38.000 -0.014 0.000 1.288 155 I HN 0.618 nan 8.210 nan 0.000 0.448 156 G N 6.048 114.840 108.800 -0.014 0.000 2.466 156 G HA2 0.585 4.588 3.960 0.073 0.000 0.291 156 G HA3 0.585 4.588 3.960 0.073 0.000 0.291 156 G C -2.134 172.766 174.900 -0.000 0.000 1.460 156 G CA -0.467 44.623 45.100 -0.017 0.000 0.791 156 G HN 0.489 nan 8.290 nan 0.000 0.505 157 I N -0.112 120.449 120.570 -0.015 0.000 2.865 157 I HA 0.644 4.857 4.170 0.073 0.000 0.302 157 I C 1.067 177.165 176.117 -0.032 0.000 1.140 157 I CA 0.783 62.075 61.300 -0.013 0.000 1.021 157 I CB 2.012 40.004 38.000 -0.014 0.000 1.233 157 I HN 1.894 nan 8.210 nan 0.000 0.427 158 G N 3.961 112.732 108.800 -0.048 0.000 2.629 158 G HA2 -0.353 3.651 3.960 0.073 0.000 0.313 158 G HA3 -0.353 3.651 3.960 0.073 0.000 0.313 158 G C 0.930 175.768 174.900 -0.103 0.000 1.217 158 G CA 0.520 45.570 45.100 -0.084 0.000 0.994 158 G HN 1.302 nan 8.290 nan 0.000 0.549 159 G N -0.596 108.142 108.800 -0.103 0.000 2.470 159 G HA2 0.138 4.141 3.960 0.073 0.000 0.220 159 G HA3 0.138 4.141 3.960 0.073 0.000 0.220 159 G C 1.710 176.564 174.900 -0.076 0.000 1.121 159 G CA 1.900 46.934 45.100 -0.110 0.000 0.766 159 G HN 1.178 nan 8.290 nan 0.000 0.553 160 S N -0.588 115.086 115.700 -0.044 0.000 2.634 160 S HA 0.179 4.692 4.470 0.073 0.000 0.221 160 S C 1.073 175.667 174.600 -0.011 0.000 0.952 160 S CA 0.628 58.812 58.200 -0.027 0.000 0.930 160 S CB 0.272 63.478 63.200 0.010 0.000 0.780 160 S HN 0.648 nan 8.310 nan 0.000 0.498 161 D N -0.090 120.291 120.400 -0.031 0.000 2.954 161 D HA 0.110 4.793 4.640 0.073 0.000 0.266 161 D C 1.511 177.730 176.300 -0.135 0.000 1.277 161 D CA -0.154 53.835 54.000 -0.017 0.000 1.130 161 D CB -0.538 40.266 40.800 0.006 0.000 1.440 161 D HN 0.067 nan 8.370 nan 0.000 0.427 162 L N 1.125 122.273 121.223 -0.125 0.000 2.093 162 L HA 0.265 4.649 4.340 0.073 0.000 0.208 162 L C 2.153 178.964 176.870 -0.099 0.000 1.085 162 L CA 2.372 57.133 54.840 -0.132 0.000 0.755 162 L CB -1.115 40.874 42.059 -0.117 0.000 0.904 162 L HN 0.306 nan 8.230 nan 0.000 0.435 163 G N -0.242 108.541 108.800 -0.029 0.000 2.511 163 G HA2 -0.219 3.785 3.960 0.073 0.000 0.216 163 G HA3 -0.219 3.785 3.960 0.073 0.000 0.216 163 G C -0.592 174.102 174.900 -0.343 0.000 1.218 163 G CA 0.896 45.870 45.100 -0.209 0.000 0.788 163 G HN 0.334 nan 8.290 nan 0.000 0.560 164 P HA -0.107 nan 4.420 nan 0.000 0.216 164 P C 2.107 179.130 177.300 -0.463 0.000 1.153 164 P CA 0.725 63.718 63.100 -0.179 0.000 0.858 164 P CB -0.142 31.612 31.700 0.090 0.000 0.789 165 L N -1.655 119.002 121.223 -0.944 0.000 1.994 165 L HA -0.161 4.223 4.340 0.073 0.000 0.208 165 L C 2.378 178.904 176.870 -0.573 0.000 1.071 165 L CA 1.763 55.833 54.840 -1.284 0.000 0.745 165 L CB -0.612 40.802 42.059 -1.076 0.000 0.892 165 L HN -0.055 nan 8.230 nan 0.000 0.431 166 M N -0.773 118.569 119.600 -0.430 0.000 2.117 166 M HA -0.166 4.358 4.480 0.073 0.000 0.262 166 M C 2.122 178.278 176.300 -0.241 0.000 1.065 166 M CA 1.958 57.068 55.300 -0.317 0.000 1.114 166 M CB -0.451 31.942 32.600 -0.346 0.000 1.361 166 M HN 0.219 nan 8.290 nan 0.000 0.408 167 V N 0.673 120.419 119.914 -0.281 0.000 2.379 167 V HA -0.221 3.942 4.120 0.073 0.000 0.245 167 V C 2.602 178.653 176.094 -0.072 0.000 1.044 167 V CA 2.167 64.354 62.300 -0.188 0.000 1.036 167 V CB -1.483 30.197 31.823 -0.238 0.000 0.664 167 V HN 0.671 nan 8.190 nan 0.000 0.453 168 T N -2.235 112.294 114.554 -0.042 0.000 2.833 168 T HA -0.180 4.213 4.350 0.073 0.000 0.269 168 T C 1.716 176.474 174.700 0.097 0.000 1.054 168 T CA 1.266 63.427 62.100 0.101 0.000 1.135 168 T CB -0.264 68.698 68.868 0.158 0.000 0.869 168 T HN 0.396 nan 8.240 nan 0.000 0.466 169 E N 1.801 122.019 120.200 0.031 0.000 2.072 169 E HA 0.049 4.442 4.350 0.073 0.000 0.191 169 E C 2.627 179.320 176.600 0.154 0.000 0.985 169 E CA 1.348 57.828 56.400 0.132 0.000 0.801 169 E CB -0.703 29.064 29.700 0.112 0.000 0.750 169 E HN 0.690 nan 8.360 nan 0.000 0.452 170 A N 0.650 123.515 122.820 0.076 0.000 2.015 170 A HA -0.049 4.314 4.320 0.073 0.000 0.219 170 A C 1.951 179.507 177.584 -0.047 0.000 1.163 170 A CA 0.772 52.858 52.037 0.082 0.000 0.646 170 A CB -0.217 18.815 19.000 0.054 0.000 0.806 170 A HN 0.166 nan 8.150 nan 0.000 0.448 171 L N -1.108 120.084 121.223 -0.052 0.000 2.872 171 L HA 0.160 4.544 4.340 0.073 0.000 0.245 171 L C 1.631 178.457 176.870 -0.073 0.000 1.211 171 L CA -0.240 54.594 54.840 -0.010 0.000 1.013 171 L CB 0.191 42.246 42.059 -0.006 0.000 1.326 171 L HN 0.145 nan 8.230 nan 0.000 0.525 172 K N 2.008 122.252 120.400 -0.260 0.000 2.089 172 K HA -0.149 4.214 4.320 0.073 0.000 0.210 172 K C -0.722 175.706 176.600 -0.287 0.000 1.048 172 K CA 1.923 58.084 56.287 -0.211 0.000 0.926 172 K CB -0.985 31.451 32.500 -0.108 0.000 0.714 172 K HN 0.122 nan 8.250 nan 0.000 0.448 173 P HA -0.119 nan 4.420 nan 0.000 0.223 173 P C 0.171 177.133 177.300 -0.563 0.000 1.144 173 P CA 1.154 63.954 63.100 -0.501 0.000 0.783 173 P CB -0.041 31.220 31.700 -0.730 0.000 0.771 174 Y N -1.092 119.034 120.300 -0.290 0.000 2.461 174 Y HA 0.093 4.686 4.550 0.073 0.000 0.277 174 Y C 1.838 177.614 175.900 -0.207 0.000 1.182 174 Y CA 0.287 58.198 58.100 -0.315 0.000 1.276 174 Y CB -0.474 37.621 38.460 -0.609 0.000 1.087 174 Y HN 0.040 nan 8.280 nan 0.000 0.519 175 S N -1.188 114.404 115.700 -0.181 0.000 2.557 175 S HA 0.152 4.666 4.470 0.073 0.000 0.223 175 S C 0.262 174.732 174.600 -0.217 0.000 0.969 175 S CA -0.650 57.343 58.200 -0.345 0.000 0.927 175 S CB -0.213 62.471 63.200 -0.861 0.000 0.806 175 S HN 0.117 nan 8.310 nan 0.000 0.489 176 K N 1.490 121.822 120.400 -0.113 0.000 2.447 176 K HA 0.364 4.728 4.320 0.073 0.000 0.281 176 K C 1.109 177.687 176.600 -0.036 0.000 1.031 176 K CA 0.712 56.961 56.287 -0.064 0.000 1.019 176 K CB 0.167 32.640 32.500 -0.045 0.000 0.918 176 K HN 0.440 nan 8.250 nan 0.000 0.476 177 G N 1.908 110.691 108.800 -0.029 0.000 2.176 177 G HA2 -0.227 3.776 3.960 0.073 0.000 0.253 177 G HA3 -0.227 3.776 3.960 0.073 0.000 0.253 177 G C 0.364 175.252 174.900 -0.020 0.000 0.979 177 G CA -0.130 44.961 45.100 -0.015 0.000 0.641 177 G HN 0.858 nan 8.290 nan 0.000 0.530 178 G N 0.014 108.788 108.800 -0.043 0.000 2.471 178 G HA2 0.788 4.792 3.960 0.073 0.000 0.332 178 G HA3 0.788 4.792 3.960 0.073 0.000 0.332 178 G C -1.883 173.029 174.900 0.020 0.000 1.176 178 G CA -0.788 44.294 45.100 -0.029 0.000 0.949 178 G HN 0.235 nan 8.290 nan 0.000 0.488 179 P HA 0.206 nan 4.420 nan 0.000 0.272 179 P C -0.183 177.198 177.300 0.135 0.000 1.230 179 P CA -0.414 62.722 63.100 0.060 0.000 0.788 179 P CB 1.104 32.806 31.700 0.005 0.000 0.949 180 R N 0.130 120.687 120.500 0.096 0.000 2.623 180 R HA 0.286 4.670 4.340 0.073 0.000 0.271 180 R C -0.044 176.202 176.300 -0.090 0.000 1.043 180 R CA -0.190 55.925 56.100 0.026 0.000 1.083 180 R CB 0.211 30.533 30.300 0.037 0.000 0.974 180 R HN 0.283 nan 8.270 nan 0.000 0.436 181 V N 4.233 123.914 119.914 -0.388 0.000 2.495 181 V HA 0.469 4.632 4.120 0.073 0.000 0.298 181 V C -1.456 174.293 176.094 -0.576 0.000 1.031 181 V CA -0.628 61.380 62.300 -0.486 0.000 0.871 181 V CB 1.091 32.493 31.823 -0.702 0.000 0.988 181 V HN 0.653 nan 8.190 nan 0.000 0.432 182 W N 5.051 126.031 121.300 -0.532 0.000 2.761 182 W HA 0.720 5.422 4.660 0.071 0.000 0.340 182 W C -1.049 175.052 176.519 -0.696 0.000 1.072 182 W CA -0.744 56.361 57.345 -0.400 0.000 1.215 182 W CB 1.650 30.942 29.460 -0.281 0.000 1.420 182 W HN 0.385 nan 8.180 nan 0.000 0.519 183 F N 1.956 121.951 119.950 0.075 0.000 2.477 183 F HA 0.590 5.159 4.527 0.070 0.000 0.335 183 F C -0.278 175.419 175.800 -0.171 0.000 1.130 183 F CA -1.161 56.822 58.000 -0.029 0.000 0.948 183 F CB 1.292 40.277 39.000 -0.026 0.000 1.154 183 F HN -0.177 nan 8.300 nan 0.000 0.439 184 V N 2.861 122.695 119.914 -0.133 0.000 2.448 184 V HA 0.480 4.644 4.120 0.073 0.000 0.295 184 V C 0.024 176.006 176.094 -0.187 0.000 1.025 184 V CA -0.057 61.974 62.300 -0.448 0.000 0.859 184 V CB 1.560 33.216 31.823 -0.277 0.000 0.988 184 V HN 0.947 nan 8.190 nan 0.000 0.431 185 S N 2.730 118.372 115.700 -0.096 0.000 3.330 185 S HA 0.152 4.665 4.470 0.073 0.000 0.259 185 S C 0.603 175.300 174.600 0.161 0.000 1.095 185 S CA -0.214 58.047 58.200 0.102 0.000 0.841 185 S CB -0.132 63.162 63.200 0.157 0.000 0.890 185 S HN 0.538 nan 8.310 nan 0.000 0.446 186 N N 1.657 120.573 118.700 0.360 0.000 2.454 186 N HA 0.190 4.973 4.740 0.073 0.000 0.254 186 N C 0.771 176.354 175.510 0.121 0.000 1.228 186 N CA -0.073 53.086 53.050 0.182 0.000 0.900 186 N CB 0.895 39.450 38.487 0.113 0.000 1.089 186 N HN 0.321 nan 8.380 nan 0.000 0.449 187 I N 1.800 122.404 120.570 0.057 0.000 2.394 187 I HA -0.128 4.086 4.170 0.073 0.000 0.251 187 I C 0.311 176.453 176.117 0.042 0.000 1.136 187 I CA 0.671 61.992 61.300 0.035 0.000 1.425 187 I CB -0.602 37.407 38.000 0.015 0.000 1.079 187 I HN 0.570 nan 8.210 nan 0.000 0.425 188 D N 0.687 121.112 120.400 0.042 0.000 2.662 188 D HA -0.072 4.611 4.640 0.073 0.000 0.237 188 D C 1.579 177.913 176.300 0.056 0.000 1.154 188 D CA 0.923 54.945 54.000 0.036 0.000 0.861 188 D CB 0.665 41.474 40.800 0.016 0.000 1.146 188 D HN 0.368 nan 8.370 nan 0.000 0.518 189 G N 3.236 112.059 108.800 0.038 0.000 2.479 189 G HA2 -0.277 3.726 3.960 0.073 0.000 0.220 189 G HA3 -0.277 3.726 3.960 0.073 0.000 0.220 189 G C 1.504 176.431 174.900 0.044 0.000 1.115 189 G CA 1.055 46.176 45.100 0.035 0.000 0.757 189 G HN 0.583 nan 8.290 nan 0.000 0.560 190 T N -0.488 114.095 114.554 0.049 0.000 2.737 190 T HA -0.177 4.216 4.350 0.073 0.000 0.269 190 T C 1.876 176.643 174.700 0.113 0.000 1.040 190 T CA 1.528 63.662 62.100 0.055 0.000 1.142 190 T CB -0.349 68.538 68.868 0.032 0.000 0.861 190 T HN 0.611 nan 8.240 nan 0.000 0.456 191 H N -0.577 118.498 119.070 0.009 0.000 2.276 191 H HA -0.022 4.576 4.556 0.070 0.000 0.301 191 H C 2.392 177.719 175.328 -0.002 0.000 1.073 191 H CA 1.240 57.300 56.048 0.020 0.000 1.311 191 H CB -0.076 29.702 29.762 0.026 0.000 1.379 191 H HN 0.205 nan 8.280 nan 0.000 0.494 192 I N 0.723 121.325 120.570 0.053 0.000 2.315 192 I HA -0.165 4.049 4.170 0.073 0.000 0.248 192 I C 2.435 178.485 176.117 -0.111 0.000 1.117 192 I CA 1.271 62.525 61.300 -0.078 0.000 1.404 192 I CB -0.353 37.594 38.000 -0.088 0.000 1.071 192 I HN 0.329 nan 8.210 nan 0.000 0.419 193 A N 0.172 122.962 122.820 -0.050 0.000 1.877 193 A HA -0.193 4.171 4.320 0.073 0.000 0.216 193 A C 2.280 179.826 177.584 -0.064 0.000 1.186 193 A CA 1.543 53.542 52.037 -0.063 0.000 0.620 193 A CB -0.526 18.466 19.000 -0.012 0.000 0.822 193 A HN 0.292 nan 8.150 nan 0.000 0.443 194 K N -0.563 119.834 120.400 -0.005 0.000 2.217 194 K HA -0.034 4.330 4.320 0.073 0.000 0.202 194 K C 2.008 178.592 176.600 -0.027 0.000 1.051 194 K CA 1.458 57.756 56.287 0.019 0.000 0.952 194 K CB -0.628 31.921 32.500 0.082 0.000 0.736 194 K HN 0.525 nan 8.250 nan 0.000 0.453 195 T N 2.101 116.604 114.554 -0.086 0.000 2.737 195 T HA -0.018 4.375 4.350 0.073 0.000 0.265 195 T C 1.979 176.372 174.700 -0.513 0.000 1.038 195 T CA 0.842 62.770 62.100 -0.285 0.000 1.144 195 T CB -0.104 68.624 68.868 -0.233 0.000 0.866 195 T HN 0.102 nan 8.240 nan 0.000 0.434 196 L N 0.913 121.855 121.223 -0.469 0.000 2.201 196 L HA -0.006 4.378 4.340 0.073 0.000 0.212 196 L C 2.969 179.649 176.870 -0.317 0.000 1.105 196 L CA 0.822 55.260 54.840 -0.670 0.000 0.775 196 L CB -0.672 40.763 42.059 -1.041 0.000 0.913 196 L HN 0.237 nan 8.230 nan 0.000 0.440 197 A N -1.030 121.685 122.820 -0.175 0.000 2.070 197 A HA -0.145 4.219 4.320 0.073 0.000 0.220 197 A C 2.312 179.887 177.584 -0.015 0.000 1.159 197 A CA 1.764 53.783 52.037 -0.029 0.000 0.656 197 A CB -0.294 18.703 19.000 -0.005 0.000 0.800 197 A HN 0.335 nan 8.150 nan 0.000 0.453 198 S N -1.073 114.553 115.700 -0.122 0.000 2.557 198 S HA 0.456 4.970 4.470 0.073 0.000 0.223 198 S C 0.118 174.645 174.600 -0.122 0.000 0.969 198 S CA -0.197 57.950 58.200 -0.087 0.000 0.927 198 S CB -0.218 62.938 63.200 -0.073 0.000 0.806 198 S HN 0.392 nan 8.310 nan 0.000 0.489 199 L N 0.330 121.496 121.223 -0.096 0.000 2.333 199 L HA 0.593 4.977 4.340 0.073 0.000 0.263 199 L C -0.118 176.926 176.870 0.290 0.000 1.014 199 L CA -0.646 54.193 54.840 -0.003 0.000 0.820 199 L CB 1.978 43.924 42.059 -0.189 0.000 1.352 199 L HN -0.051 nan 8.230 nan 0.000 0.421 200 S N 0.537 116.399 115.700 0.269 0.000 2.451 200 S HA 0.451 4.965 4.470 0.073 0.000 0.301 200 S C -2.019 172.777 174.600 0.327 0.000 1.116 200 S CA -1.553 56.800 58.200 0.255 0.000 1.093 200 S CB 1.551 64.836 63.200 0.143 0.000 1.017 200 S HN 0.330 nan 8.310 nan 0.000 0.482 201 P HA -0.076 nan 4.420 nan 0.000 0.219 201 P C 0.670 178.192 177.300 0.370 0.000 1.146 201 P CA 1.092 64.276 63.100 0.139 0.000 0.808 201 P CB 0.108 31.588 31.700 -0.366 0.000 0.779 202 E N -1.133 119.230 120.200 0.272 0.000 2.208 202 E HA -0.070 4.324 4.350 0.073 0.000 0.193 202 E C 0.940 177.759 176.600 0.365 0.000 0.988 202 E CA 1.569 58.096 56.400 0.211 0.000 0.828 202 E CB -0.381 29.292 29.700 -0.044 0.000 0.763 202 E HN 0.382 nan 8.360 nan 0.000 0.478 203 T N -2.661 112.080 114.554 0.312 0.000 3.231 203 T HA 0.248 4.641 4.350 0.073 0.000 0.292 203 T C 0.212 175.028 174.700 0.193 0.000 1.001 203 T CA -0.535 61.709 62.100 0.239 0.000 0.920 203 T CB 0.691 69.643 68.868 0.140 0.000 1.140 203 T HN -0.205 nan 8.240 nan 0.000 0.525 204 S N 1.881 117.734 115.700 0.255 0.000 2.454 204 S HA 0.721 5.235 4.470 0.073 0.000 0.306 204 S C -0.949 173.632 174.600 -0.030 0.000 1.100 204 S CA -0.751 57.448 58.200 -0.002 0.000 1.087 204 S CB 1.640 64.785 63.200 -0.091 0.000 1.019 204 S HN 0.489 nan 8.310 nan 0.000 0.480 205 L N 4.130 125.184 121.223 -0.281 0.000 2.305 205 L HA 0.657 5.041 4.340 0.073 0.000 0.284 205 L C -1.620 174.925 176.870 -0.541 0.000 1.013 205 L CA -0.294 54.378 54.840 -0.280 0.000 0.819 205 L CB 0.218 42.160 42.059 -0.194 0.000 1.227 205 L HN 0.490 nan 8.230 nan 0.000 0.417 206 F N 5.624 125.321 119.950 -0.421 0.000 2.404 206 F HA 0.526 5.096 4.527 0.072 0.000 0.339 206 F C 0.165 175.811 175.800 -0.257 0.000 1.105 206 F CA -0.314 57.415 58.000 -0.452 0.000 1.087 206 F CB 1.182 39.674 39.000 -0.848 0.000 1.143 206 F HN 0.257 nan 8.300 nan 0.000 0.491 207 I N 5.140 125.706 120.570 -0.008 0.000 2.390 207 I HA 0.252 4.465 4.170 0.073 0.000 0.283 207 I C -0.898 175.248 176.117 0.048 0.000 1.016 207 I CA -0.547 60.751 61.300 -0.003 0.000 1.151 207 I CB 0.939 38.879 38.000 -0.100 0.000 1.293 207 I HN 0.300 nan 8.210 nan 0.000 0.458 208 I N 5.790 126.434 120.570 0.123 0.000 2.291 208 I HA 0.350 4.563 4.170 0.073 0.000 0.292 208 I C 0.694 176.890 176.117 0.133 0.000 1.064 208 I CA -0.326 61.023 61.300 0.082 0.000 1.269 208 I CB 0.602 38.633 38.000 0.052 0.000 1.418 208 I HN 0.508 nan 8.210 nan 0.000 0.485 209 A N 4.994 127.841 122.820 0.045 0.000 2.256 209 A HA 0.658 5.021 4.320 0.073 0.000 0.317 209 A C 0.130 177.756 177.584 0.070 0.000 1.318 209 A CA -0.375 51.713 52.037 0.085 0.000 0.894 209 A CB 0.761 19.779 19.000 0.030 0.000 1.165 209 A HN 0.645 nan 8.150 nan 0.000 0.525 210 S N 2.124 117.938 115.700 0.191 0.000 2.616 210 S HA 0.234 4.748 4.470 0.073 0.000 0.276 210 S C 0.553 175.305 174.600 0.254 0.000 1.159 210 S CA -0.471 57.813 58.200 0.141 0.000 1.000 210 S CB 0.983 64.130 63.200 -0.088 0.000 1.117 210 S HN 0.795 nan 8.310 nan 0.000 0.464 211 K N 2.212 122.760 120.400 0.247 0.000 2.032 211 K HA -0.131 4.233 4.320 0.073 0.000 0.209 211 K C 1.819 178.374 176.600 -0.074 0.000 1.048 211 K CA 2.548 58.861 56.287 0.043 0.000 0.927 211 K CB -0.445 32.132 32.500 0.128 0.000 0.712 211 K HN 0.793 nan 8.250 nan 0.000 0.441 212 T N -2.604 111.959 114.554 0.014 0.000 2.978 212 T HA -0.053 4.340 4.350 0.073 0.000 0.262 212 T C 0.987 175.760 174.700 0.121 0.000 1.063 212 T CA 0.631 62.743 62.100 0.020 0.000 1.140 212 T CB -0.348 68.528 68.868 0.014 0.000 0.886 212 T HN 0.369 nan 8.240 nan 0.000 0.470 213 F N 2.139 122.047 119.950 -0.071 0.000 3.057 213 F HA -0.289 4.282 4.527 0.072 0.000 0.287 213 F C 1.044 176.810 175.800 -0.055 0.000 0.834 213 F CA 1.037 58.992 58.000 -0.076 0.000 1.147 213 F CB -1.638 37.311 39.000 -0.085 0.000 1.245 213 F HN 0.525 nan 8.300 nan 0.000 0.509 214 T N -5.011 109.533 114.554 -0.016 0.000 3.058 214 T HA 0.181 4.575 4.350 0.073 0.000 0.278 214 T C 0.555 175.221 174.700 -0.055 0.000 0.974 214 T CA 0.526 62.613 62.100 -0.022 0.000 0.893 214 T CB 0.157 69.039 68.868 0.023 0.000 1.138 214 T HN 0.095 nan 8.240 nan 0.000 0.529 215 T N 3.175 117.679 114.554 -0.084 0.000 2.871 215 T HA 0.073 4.466 4.350 0.073 0.000 0.296 215 T C 1.265 175.916 174.700 -0.082 0.000 0.998 215 T CA 0.051 62.108 62.100 -0.071 0.000 1.162 215 T CB 1.380 70.204 68.868 -0.075 0.000 0.947 215 T HN 0.410 nan 8.240 nan 0.000 0.536 216 Q N 2.565 122.337 119.800 -0.047 0.000 2.061 216 Q HA -0.220 4.164 4.340 0.073 0.000 0.204 216 Q C 1.765 177.736 176.000 -0.048 0.000 0.984 216 Q CA 1.950 57.730 55.803 -0.038 0.000 0.846 216 Q CB 0.042 28.771 28.738 -0.016 0.000 0.902 216 Q HN 0.737 nan 8.270 nan 0.000 0.421 217 E N -0.492 119.682 120.200 -0.043 0.000 2.058 217 E HA -0.161 4.233 4.350 0.073 0.000 0.194 217 E C 2.019 178.580 176.600 -0.065 0.000 0.997 217 E CA 1.983 58.361 56.400 -0.036 0.000 0.801 217 E CB -0.217 29.471 29.700 -0.020 0.000 0.746 217 E HN 0.330 nan 8.360 nan 0.000 0.450 218 T N 0.848 115.339 114.554 -0.105 0.000 2.770 218 T HA -0.062 4.332 4.350 0.073 0.000 0.263 218 T C 1.709 176.265 174.700 -0.240 0.000 1.039 218 T CA 0.751 62.751 62.100 -0.167 0.000 1.142 218 T CB -0.063 68.682 68.868 -0.206 0.000 0.868 218 T HN 0.029 nan 8.240 nan 0.000 0.435 219 I N 1.793 122.209 120.570 -0.257 0.000 2.315 219 I HA -0.099 4.115 4.170 0.073 0.000 0.248 219 I C 2.574 178.637 176.117 -0.089 0.000 1.117 219 I CA 1.383 62.526 61.300 -0.263 0.000 1.404 219 I CB -1.792 36.083 38.000 -0.209 0.000 1.071 219 I HN 0.261 nan 8.210 nan 0.000 0.419 220 T N 1.365 115.886 114.554 -0.054 0.000 2.674 220 T HA -0.129 4.265 4.350 0.073 0.000 0.265 220 T C 1.793 176.490 174.700 -0.005 0.000 1.039 220 T CA 1.324 63.420 62.100 -0.008 0.000 1.150 220 T CB -0.257 68.606 68.868 -0.008 0.000 0.864 220 T HN 0.255 nan 8.240 nan 0.000 0.427 221 N N 1.456 120.136 118.700 -0.033 0.000 2.094 221 N HA -0.083 4.701 4.740 0.073 0.000 0.191 221 N C 2.115 177.612 175.510 -0.023 0.000 1.023 221 N CA 1.476 54.505 53.050 -0.034 0.000 0.857 221 N CB -0.554 37.903 38.487 -0.050 0.000 1.013 221 N HN 0.438 nan 8.380 nan 0.000 0.426 222 A N 1.379 124.175 122.820 -0.040 0.000 1.902 222 A HA -0.141 4.223 4.320 0.073 0.000 0.217 222 A C 2.086 179.826 177.584 0.259 0.000 1.181 222 A CA 1.349 53.406 52.037 0.033 0.000 0.623 222 A CB -0.437 18.373 19.000 -0.316 0.000 0.818 222 A HN 0.358 nan 8.150 nan 0.000 0.443 223 E N -0.858 119.491 120.200 0.248 0.000 2.106 223 E HA -0.119 4.275 4.350 0.073 0.000 0.192 223 E C 2.037 178.690 176.600 0.089 0.000 0.984 223 E CA 1.491 58.014 56.400 0.204 0.000 0.806 223 E CB -0.339 29.455 29.700 0.157 0.000 0.750 223 E HN 0.587 nan 8.360 nan 0.000 0.458 224 T N 1.110 115.702 114.554 0.063 0.000 2.746 224 T HA -0.147 4.247 4.350 0.073 0.000 0.267 224 T C 2.036 176.774 174.700 0.062 0.000 1.039 224 T CA 1.256 63.383 62.100 0.046 0.000 1.142 224 T CB -0.210 68.665 68.868 0.011 0.000 0.866 224 T HN 0.247 nan 8.240 nan 0.000 0.444 225 A N 1.499 124.320 122.820 0.001 0.000 1.908 225 A HA -0.136 4.228 4.320 0.073 0.000 0.218 225 A C 2.224 179.922 177.584 0.191 0.000 1.181 225 A CA 2.002 53.980 52.037 -0.098 0.000 0.627 225 A CB -0.534 18.163 19.000 -0.505 0.000 0.818 225 A HN 0.472 nan 8.150 nan 0.000 0.445 226 K N -0.349 120.140 120.400 0.149 0.000 2.057 226 K HA -0.189 4.175 4.320 0.073 0.000 0.206 226 K C 2.115 178.770 176.600 0.091 0.000 1.050 226 K CA 1.579 57.856 56.287 -0.016 0.000 0.935 226 K CB -0.151 32.133 32.500 -0.360 0.000 0.715 226 K HN 0.657 nan 8.250 nan 0.000 0.439 227 E N -0.416 119.832 120.200 0.079 0.000 2.051 227 E HA -0.236 4.158 4.350 0.073 0.000 0.192 227 E C 1.809 178.487 176.600 0.130 0.000 0.991 227 E CA 1.384 57.823 56.400 0.065 0.000 0.799 227 E CB -0.291 29.440 29.700 0.052 0.000 0.748 227 E HN 0.502 nan 8.360 nan 0.000 0.449 228 W N 0.531 121.838 121.300 0.012 0.000 2.338 228 W HA -0.257 4.447 4.660 0.074 0.000 0.304 228 W C 1.938 178.489 176.519 0.053 0.000 1.212 228 W CA 1.957 59.318 57.345 0.028 0.000 1.264 228 W CB -0.587 28.898 29.460 0.042 0.000 1.142 228 W HN 0.204 nan 8.180 nan 0.000 0.512 229 F N 0.713 120.734 119.950 0.118 0.000 2.102 229 F HA -0.152 4.419 4.527 0.073 0.000 0.298 229 F C 2.020 177.665 175.800 -0.259 0.000 1.105 229 F CA 2.120 60.057 58.000 -0.105 0.000 1.239 229 F CB -0.769 38.388 39.000 0.260 0.000 0.991 229 F HN -0.165 nan 8.300 nan 0.000 0.474 230 L N -0.103 120.975 121.223 -0.242 0.000 2.291 230 L HA -0.132 4.251 4.340 0.073 0.000 0.214 230 L C 2.212 178.866 176.870 -0.361 0.000 1.120 230 L CA 1.079 55.701 54.840 -0.363 0.000 0.799 230 L CB -0.591 41.379 42.059 -0.148 0.000 0.925 230 L HN 0.139 nan 8.230 nan 0.000 0.446 231 E N 0.063 120.089 120.200 -0.290 0.000 2.153 231 E HA -0.186 4.207 4.350 0.073 0.000 0.194 231 E C 2.116 178.527 176.600 -0.316 0.000 0.988 231 E CA 1.293 57.545 56.400 -0.246 0.000 0.811 231 E CB 0.057 29.652 29.700 -0.176 0.000 0.746 231 E HN 0.472 nan 8.360 nan 0.000 0.466 232 A N 0.025 122.560 122.820 -0.476 0.000 1.887 232 A HA 0.248 4.612 4.320 0.073 0.000 0.212 232 A C 2.216 179.504 177.584 -0.494 0.000 1.198 232 A CA 1.026 52.797 52.037 -0.442 0.000 0.628 232 A CB -0.406 18.294 19.000 -0.500 0.000 0.847 232 A HN 0.289 nan 8.150 nan 0.000 0.449 233 A N -0.753 121.500 122.820 -0.946 0.000 1.930 233 A HA 0.141 4.504 4.320 0.073 0.000 0.215 233 A C 1.205 178.450 177.584 -0.565 0.000 1.176 233 A CA 1.241 52.553 52.037 -1.208 0.000 0.632 233 A CB -0.357 17.408 19.000 -2.059 0.000 0.819 233 A HN 0.471 nan 8.150 nan 0.000 0.445 234 K N -0.508 119.626 120.400 -0.443 0.000 3.069 234 K HA -0.197 4.167 4.320 0.073 0.000 0.267 234 K C -0.839 175.654 176.600 -0.178 0.000 1.082 234 K CA 0.980 57.120 56.287 -0.245 0.000 0.782 234 K CB -1.454 30.942 32.500 -0.172 0.000 1.230 234 K HN 0.588 nan 8.250 nan 0.000 0.488 235 D N -1.275 119.009 120.400 -0.193 0.000 2.591 235 D HA 0.203 4.886 4.640 0.073 0.000 0.222 235 D C -2.268 174.006 176.300 -0.043 0.000 1.360 235 D CA -1.945 51.999 54.000 -0.094 0.000 0.967 235 D CB 1.675 42.438 40.800 -0.061 0.000 1.456 235 D HN -0.283 nan 8.370 nan 0.000 0.588 236 P HA -0.101 nan 4.420 nan 0.000 0.220 236 P C 1.323 178.649 177.300 0.042 0.000 1.148 236 P CA 0.977 64.073 63.100 -0.007 0.000 0.803 236 P CB 0.237 31.914 31.700 -0.038 0.000 0.782 237 S N -0.606 115.124 115.700 0.049 0.000 2.447 237 S HA -0.041 4.473 4.470 0.073 0.000 0.233 237 S C 1.987 176.678 174.600 0.151 0.000 1.006 237 S CA 0.892 59.138 58.200 0.078 0.000 0.957 237 S CB -1.167 62.066 63.200 0.056 0.000 0.773 237 S HN 0.117 nan 8.310 nan 0.000 0.507 238 A N 1.268 124.211 122.820 0.204 0.000 2.066 238 A HA 0.199 4.562 4.320 0.073 0.000 0.218 238 A C 2.229 180.126 177.584 0.520 0.000 1.157 238 A CA 1.045 53.310 52.037 0.381 0.000 0.670 238 A CB -0.837 18.348 19.000 0.308 0.000 0.804 238 A HN 0.445 nan 8.150 nan 0.000 0.453 239 V N -0.015 120.126 119.914 0.378 0.000 2.392 239 V HA -0.299 3.865 4.120 0.073 0.000 0.249 239 V C 2.976 179.259 176.094 0.316 0.000 1.059 239 V CA 1.871 64.319 62.300 0.246 0.000 1.051 239 V CB -1.151 30.684 31.823 0.019 0.000 0.658 239 V HN 0.601 nan 8.190 nan 0.000 0.455 240 A N -0.403 122.574 122.820 0.262 0.000 2.125 240 A HA -0.203 4.160 4.320 0.073 0.000 0.219 240 A C 2.168 179.969 177.584 0.362 0.000 1.156 240 A CA 1.609 53.806 52.037 0.267 0.000 0.671 240 A CB -0.369 18.735 19.000 0.172 0.000 0.794 240 A HN 0.614 nan 8.150 nan 0.000 0.459 241 K N -1.574 119.043 120.400 0.361 0.000 2.393 241 K HA 0.092 4.456 4.320 0.073 0.000 0.193 241 K C 0.656 177.408 176.600 0.254 0.000 1.026 241 K CA 0.613 57.091 56.287 0.318 0.000 1.064 241 K CB 0.122 32.717 32.500 0.158 0.000 0.833 241 K HN 0.605 nan 8.250 nan 0.000 0.521 242 H N -1.652 117.641 119.070 0.370 0.000 3.535 242 H HA 0.202 4.801 4.556 0.072 0.000 0.260 242 H C -0.695 174.627 175.328 -0.010 0.000 1.173 242 H CA -0.014 56.118 56.048 0.140 0.000 1.168 242 H CB 0.786 30.409 29.762 -0.232 0.000 1.568 242 H HN -0.049 nan 8.280 nan 0.000 0.602 243 F N 1.871 121.955 119.950 0.223 0.000 2.536 243 F HA 0.357 4.926 4.527 0.070 0.000 0.322 243 F C 0.090 176.001 175.800 0.185 0.000 1.144 243 F CA -1.157 56.977 58.000 0.223 0.000 0.924 243 F CB 2.078 41.209 39.000 0.218 0.000 1.181 243 F HN -0.233 nan 8.300 nan 0.000 0.438 244 V N 0.408 120.476 119.914 0.258 0.000 3.046 244 V HA 1.021 5.185 4.120 0.073 0.000 0.316 244 V C -0.858 175.360 176.094 0.207 0.000 1.104 244 V CA -1.013 61.393 62.300 0.177 0.000 1.006 244 V CB 1.603 33.444 31.823 0.029 0.000 1.058 244 V HN 0.900 nan 8.190 nan 0.000 0.440 245 A N 2.992 125.925 122.820 0.189 0.000 2.386 245 A HA 0.903 5.267 4.320 0.073 0.000 0.311 245 A C -0.916 176.785 177.584 0.195 0.000 1.068 245 A CA -0.796 51.354 52.037 0.187 0.000 0.743 245 A CB 1.428 20.425 19.000 -0.006 0.000 1.258 245 A HN 1.089 nan 8.150 nan 0.000 0.429 246 L N 1.768 123.124 121.223 0.222 0.000 2.316 246 L HA 0.761 5.145 4.340 0.073 0.000 0.280 246 L C 0.048 177.137 176.870 0.364 0.000 1.006 246 L CA -0.286 54.705 54.840 0.252 0.000 0.836 246 L CB 1.260 43.406 42.059 0.145 0.000 1.221 246 L HN 0.646 nan 8.230 nan 0.000 0.418 247 S N -0.044 115.775 115.700 0.199 0.000 2.611 247 S HA 0.402 4.916 4.470 0.073 0.000 0.268 247 S C 0.439 174.679 174.600 -0.600 0.000 1.156 247 S CA 0.175 58.305 58.200 -0.118 0.000 0.817 247 S CB 1.864 64.995 63.200 -0.115 0.000 1.122 247 S HN 0.733 nan 8.310 nan 0.000 0.466 248 T N -0.463 113.648 114.554 -0.739 0.000 3.060 248 T HA 0.273 4.667 4.350 0.073 0.000 0.249 248 T C 0.314 174.797 174.700 -0.363 0.000 1.079 248 T CA 0.120 61.829 62.100 -0.652 0.000 1.013 248 T CB -0.254 68.214 68.868 -0.666 0.000 0.975 248 T HN 0.314 nan 8.240 nan 0.000 0.518 249 N N 1.756 120.287 118.700 -0.282 0.000 2.955 249 N HA 0.259 5.043 4.740 0.073 0.000 0.242 249 N C 0.779 176.154 175.510 -0.226 0.000 1.123 249 N CA -0.049 52.889 53.050 -0.188 0.000 0.949 249 N CB 0.906 39.343 38.487 -0.083 0.000 1.214 249 N HN 0.177 nan 8.380 nan 0.000 0.504 250 T N 0.661 115.097 114.554 -0.197 0.000 2.699 250 T HA -0.169 4.224 4.350 0.073 0.000 0.268 250 T C 1.792 176.402 174.700 -0.150 0.000 1.036 250 T CA 1.827 63.817 62.100 -0.183 0.000 1.147 250 T CB 0.030 68.819 68.868 -0.131 0.000 0.862 250 T HN 0.569 nan 8.240 nan 0.000 0.446 251 A N 1.615 124.375 122.820 -0.099 0.000 1.898 251 A HA -0.090 4.273 4.320 0.073 0.000 0.216 251 A C 2.325 179.885 177.584 -0.040 0.000 1.181 251 A CA 1.190 53.193 52.037 -0.057 0.000 0.620 251 A CB -0.280 18.703 19.000 -0.029 0.000 0.819 251 A HN 0.202 nan 8.150 nan 0.000 0.442 252 K N -0.210 120.169 120.400 -0.036 0.000 2.155 252 K HA -0.001 4.363 4.320 0.073 0.000 0.203 252 K C 1.980 178.585 176.600 0.008 0.000 1.052 252 K CA 1.072 57.394 56.287 0.058 0.000 0.948 252 K CB -0.643 31.951 32.500 0.158 0.000 0.728 252 K HN 0.353 nan 8.250 nan 0.000 0.448 253 V N 1.489 121.186 119.914 -0.362 0.000 2.295 253 V HA -0.231 3.933 4.120 0.073 0.000 0.246 253 V C 2.525 178.541 176.094 -0.129 0.000 1.049 253 V CA 1.669 63.612 62.300 -0.595 0.000 1.024 253 V CB -0.347 31.030 31.823 -0.742 0.000 0.648 253 V HN 0.329 nan 8.190 nan 0.000 0.447 254 K N -0.136 120.207 120.400 -0.096 0.000 2.032 254 K HA -0.261 4.103 4.320 0.073 0.000 0.209 254 K C 2.270 178.883 176.600 0.021 0.000 1.048 254 K CA 2.014 58.283 56.287 -0.030 0.000 0.927 254 K CB -0.180 32.295 32.500 -0.041 0.000 0.712 254 K HN 0.531 nan 8.250 nan 0.000 0.441 255 E N -0.359 119.869 120.200 0.047 0.000 2.058 255 E HA -0.232 4.162 4.350 0.073 0.000 0.194 255 E C 1.798 178.467 176.600 0.115 0.000 0.997 255 E CA 1.370 57.814 56.400 0.073 0.000 0.801 255 E CB -0.186 29.569 29.700 0.092 0.000 0.746 255 E HN 0.370 nan 8.360 nan 0.000 0.450 256 F N -0.149 119.842 119.950 0.068 0.000 2.333 256 F HA -0.052 4.521 4.527 0.076 0.000 0.300 256 F C 1.235 177.046 175.800 0.019 0.000 1.083 256 F CA 1.614 59.670 58.000 0.094 0.000 1.395 256 F CB 0.286 39.462 39.000 0.294 0.000 1.056 256 F HN 0.182 nan 8.300 nan 0.000 0.529 257 G N 1.087 109.897 108.800 0.016 0.000 2.141 257 G HA2 -0.203 3.800 3.960 0.073 0.000 0.164 257 G HA3 -0.203 3.800 3.960 0.073 0.000 0.164 257 G C -0.036 174.865 174.900 0.003 0.000 1.009 257 G CA -0.089 44.960 45.100 -0.084 0.000 0.677 257 G HN 0.322 nan 8.290 nan 0.000 0.508 258 I N 1.387 122.030 120.570 0.121 0.000 2.353 258 I HA 0.214 4.427 4.170 0.073 0.000 0.293 258 I C 0.589 176.737 176.117 0.051 0.000 0.992 258 I CA -0.707 60.673 61.300 0.133 0.000 1.268 258 I CB 1.030 39.157 38.000 0.212 0.000 1.387 258 I HN 0.096 nan 8.210 nan 0.000 0.478 259 D N 8.331 128.768 120.400 0.062 0.000 2.648 259 D HA -0.075 4.609 4.640 0.073 0.000 0.229 259 D C -1.658 174.630 176.300 -0.019 0.000 1.119 259 D CA -0.566 53.453 54.000 0.032 0.000 0.850 259 D CB 1.391 42.233 40.800 0.069 0.000 1.169 259 D HN 0.261 nan 8.370 nan 0.000 0.489 260 P HA -0.116 nan 4.420 nan 0.000 0.218 260 P C 0.928 178.160 177.300 -0.113 0.000 1.149 260 P CA 1.138 64.192 63.100 -0.077 0.000 0.817 260 P CB 0.214 31.879 31.700 -0.059 0.000 0.785 261 Q N -1.381 118.366 119.800 -0.089 0.000 2.472 261 Q HA 0.005 4.389 4.340 0.073 0.000 0.208 261 Q C 0.643 176.519 176.000 -0.207 0.000 0.958 261 Q CA 0.464 56.190 55.803 -0.127 0.000 0.932 261 Q CB -0.369 28.339 28.738 -0.049 0.000 1.007 261 Q HN 0.242 nan 8.270 nan 0.000 0.508 262 N N -0.069 118.540 118.700 -0.152 0.000 2.268 262 N HA 0.106 4.890 4.740 0.073 0.000 0.204 262 N C -0.557 174.823 175.510 -0.218 0.000 1.124 262 N CA 0.201 53.153 53.050 -0.163 0.000 0.838 262 N CB 0.451 38.962 38.487 0.040 0.000 0.994 262 N HN 0.226 nan 8.380 nan 0.000 0.489 263 M N 0.655 120.058 119.600 -0.329 0.000 2.205 263 M HA 0.357 4.881 4.480 0.073 0.000 0.344 263 M C -1.380 174.669 176.300 -0.417 0.000 1.085 263 M CA -0.612 54.536 55.300 -0.253 0.000 1.001 263 M CB 0.616 33.088 32.600 -0.213 0.000 1.626 263 M HN -0.175 nan 8.290 nan 0.000 0.442 264 F N 3.365 123.235 119.950 -0.133 0.000 2.361 264 F HA 0.376 4.945 4.527 0.071 0.000 0.364 264 F C 0.362 176.106 175.800 -0.094 0.000 1.117 264 F CA -0.559 57.380 58.000 -0.100 0.000 1.071 264 F CB 0.794 39.738 39.000 -0.094 0.000 1.188 264 F HN 0.548 nan 8.300 nan 0.000 0.464 265 E N 4.216 124.375 120.200 -0.068 0.000 2.331 265 E HA 0.459 4.852 4.350 0.073 0.000 0.272 265 E C -0.841 175.411 176.600 -0.581 0.000 1.036 265 E CA -0.350 55.854 56.400 -0.326 0.000 0.864 265 E CB 0.977 30.450 29.700 -0.378 0.000 1.035 265 E HN 0.515 nan 8.360 nan 0.000 0.408 266 F N 1.161 120.513 119.950 -0.997 0.000 2.876 266 F HA 0.735 5.303 4.527 0.067 0.000 0.358 266 F C -0.900 174.003 175.800 -1.495 0.000 1.209 266 F CA -1.079 56.023 58.000 -1.497 0.000 1.051 266 F CB 1.061 39.718 39.000 -0.573 0.000 1.474 266 F HN 0.287 nan 8.300 nan 0.000 0.521 267 W N 0.875 121.903 121.300 -0.452 0.000 2.975 267 W HA 0.193 4.897 4.660 0.073 0.000 0.342 267 W C 0.029 176.138 176.519 -0.683 0.000 1.168 267 W CA -0.348 56.532 57.345 -0.775 0.000 1.141 267 W CB 1.348 29.976 29.460 -1.388 0.000 1.445 267 W HN 0.714 nan 8.180 nan 0.000 0.560 268 D N -0.589 119.630 120.400 -0.303 0.000 2.263 268 D HA -0.212 4.472 4.640 0.073 0.000 0.208 268 D C 1.497 177.811 176.300 0.024 0.000 0.971 268 D CA 1.279 55.211 54.000 -0.114 0.000 0.867 268 D CB -0.592 40.202 40.800 -0.010 0.000 0.929 268 D HN 0.528 nan 8.370 nan 0.000 0.492 269 W N 0.654 122.075 121.300 0.201 0.000 3.292 269 W HA 0.330 5.035 4.660 0.075 0.000 0.263 269 W C -0.572 176.068 176.519 0.202 0.000 1.318 269 W CA -0.618 56.812 57.345 0.142 0.000 1.663 269 W CB -0.500 28.998 29.460 0.064 0.000 1.114 269 W HN -0.251 nan 8.180 nan 0.000 0.706 270 V N 2.646 122.735 119.914 0.291 0.000 2.304 270 V HA 0.430 4.594 4.120 0.073 0.000 0.269 270 V C 1.026 177.346 176.094 0.377 0.000 1.036 270 V CA -0.642 61.906 62.300 0.412 0.000 0.840 270 V CB 0.242 32.327 31.823 0.436 0.000 1.036 270 V HN 0.131 nan 8.190 nan 0.000 0.466 271 G N 3.277 112.326 108.800 0.415 0.000 2.441 271 G HA2 0.380 4.383 3.960 0.073 0.000 0.243 271 G HA3 0.380 4.383 3.960 0.073 0.000 0.243 271 G C 1.124 176.204 174.900 0.300 0.000 1.281 271 G CA 0.201 45.535 45.100 0.389 0.000 0.854 271 G HN 0.864 nan 8.290 nan 0.000 0.560 272 G N 1.849 110.757 108.800 0.181 0.000 2.476 272 G HA2 -0.281 3.722 3.960 0.073 0.000 0.218 272 G HA3 -0.281 3.722 3.960 0.073 0.000 0.218 272 G C 1.686 176.569 174.900 -0.028 0.000 1.164 272 G CA 0.942 46.090 45.100 0.081 0.000 0.768 272 G HN 0.797 nan 8.290 nan 0.000 0.560 273 R N -0.816 119.610 120.500 -0.123 0.000 2.339 273 R HA 0.113 4.497 4.340 0.073 0.000 0.199 273 R C 0.405 176.375 176.300 -0.549 0.000 1.018 273 R CA 0.613 56.474 56.100 -0.399 0.000 1.036 273 R CB -0.332 29.651 30.300 -0.529 0.000 0.899 273 R HN 0.474 nan 8.270 nan 0.000 0.473 274 Y N 0.494 120.808 120.300 0.024 0.000 2.715 274 Y HA 0.199 4.790 4.550 0.069 0.000 0.255 274 Y C 1.275 177.319 175.900 0.240 0.000 1.139 274 Y CA -0.355 57.805 58.100 0.101 0.000 1.151 274 Y CB 1.256 39.636 38.460 -0.134 0.000 1.201 274 Y HN 0.209 nan 8.280 nan 0.000 0.556 275 S N -0.770 115.021 115.700 0.151 0.000 2.524 275 S HA -0.029 4.485 4.470 0.073 0.000 0.215 275 S C 1.636 176.172 174.600 -0.105 0.000 0.986 275 S CA 0.047 58.271 58.200 0.039 0.000 0.911 275 S CB -0.507 62.613 63.200 -0.133 0.000 0.805 275 S HN 0.451 nan 8.310 nan 0.000 0.501 276 L N -1.264 119.800 121.223 -0.264 0.000 2.261 276 L HA 0.250 4.634 4.340 0.073 0.000 0.216 276 L C 1.810 178.541 176.870 -0.232 0.000 1.114 276 L CA 1.026 55.641 54.840 -0.374 0.000 0.777 276 L CB -1.524 40.181 42.059 -0.589 0.000 0.910 276 L HN 0.374 nan 8.230 nan 0.000 0.440 277 W N 0.739 122.115 121.300 0.127 0.000 2.678 277 W HA 0.201 4.903 4.660 0.070 0.000 0.256 277 W C 1.889 178.570 176.519 0.270 0.000 1.280 277 W CA 0.360 57.793 57.345 0.147 0.000 1.345 277 W CB -0.691 28.834 29.460 0.108 0.000 1.118 277 W HN 0.359 nan 8.180 nan 0.000 0.629 278 S N 0.411 116.319 115.700 0.347 0.000 2.566 278 S HA 0.627 5.140 4.470 0.073 0.000 0.277 278 S C 1.682 176.359 174.600 0.128 0.000 1.150 278 S CA -0.097 58.253 58.200 0.250 0.000 1.032 278 S CB 0.533 63.748 63.200 0.024 0.000 1.157 278 S HN 0.048 nan 8.310 nan 0.000 0.507 279 A N 0.352 123.191 122.820 0.033 0.000 1.997 279 A HA -0.076 4.288 4.320 0.073 0.000 0.221 279 A C 2.079 179.550 177.584 -0.189 0.000 1.172 279 A CA 1.568 53.591 52.037 -0.023 0.000 0.645 279 A CB -1.211 17.849 19.000 0.101 0.000 0.813 279 A HN 0.736 nan 8.150 nan 0.000 0.454 280 I N -0.122 120.236 120.570 -0.353 0.000 2.530 280 I HA -0.203 4.011 4.170 0.073 0.000 0.257 280 I C 2.300 178.293 176.117 -0.206 0.000 1.179 280 I CA 1.477 62.588 61.300 -0.315 0.000 1.440 280 I CB -1.602 36.136 38.000 -0.437 0.000 1.087 280 I HN 0.390 nan 8.210 nan 0.000 0.440 281 G N 0.246 108.940 108.800 -0.177 0.000 3.026 281 G HA2 -0.050 3.953 3.960 0.073 0.000 0.208 281 G HA3 -0.050 3.953 3.960 0.073 0.000 0.208 281 G C 1.571 176.193 174.900 -0.464 0.000 1.169 281 G CA -0.171 44.798 45.100 -0.219 0.000 0.788 281 G HN 0.270 nan 8.290 nan 0.000 0.533 282 L N 1.960 122.948 121.223 -0.391 0.000 2.042 282 L HA -0.142 4.242 4.340 0.073 0.000 0.210 282 L C 3.051 179.742 176.870 -0.299 0.000 1.076 282 L CA 2.569 57.158 54.840 -0.417 0.000 0.749 282 L CB -0.535 41.221 42.059 -0.505 0.000 0.893 282 L HN 0.309 nan 8.230 nan 0.000 0.432 283 S N -0.991 114.582 115.700 -0.211 0.000 2.399 283 S HA -0.183 4.330 4.470 0.073 0.000 0.231 283 S C 2.021 176.583 174.600 -0.064 0.000 1.022 283 S CA 1.439 59.553 58.200 -0.144 0.000 0.983 283 S CB -1.003 62.117 63.200 -0.134 0.000 0.803 283 S HN 0.529 nan 8.310 nan 0.000 0.480 284 I N 2.492 123.017 120.570 -0.075 0.000 2.142 284 I HA -0.145 4.069 4.170 0.073 0.000 0.240 284 I C 3.136 179.239 176.117 -0.024 0.000 1.078 284 I CA 1.284 62.583 61.300 -0.002 0.000 1.343 284 I CB -0.803 37.212 38.000 0.026 0.000 1.046 284 I HN 0.414 nan 8.210 nan 0.000 0.405 285 A N 0.859 123.533 122.820 -0.243 0.000 1.933 285 A HA -0.152 4.211 4.320 0.073 0.000 0.218 285 A C 2.313 179.881 177.584 -0.027 0.000 1.175 285 A CA 1.478 53.416 52.037 -0.164 0.000 0.628 285 A CB -0.881 17.904 19.000 -0.358 0.000 0.814 285 A HN 0.392 nan 8.150 nan 0.000 0.444 286 L N -1.862 119.318 121.223 -0.070 0.000 2.093 286 L HA -0.176 4.207 4.340 0.073 0.000 0.208 286 L C 2.650 179.536 176.870 0.026 0.000 1.085 286 L CA 1.654 56.458 54.840 -0.060 0.000 0.755 286 L CB -0.506 41.479 42.059 -0.123 0.000 0.904 286 L HN 0.563 nan 8.230 nan 0.000 0.435 287 H N -0.323 118.715 119.070 -0.054 0.000 2.333 287 H HA -0.086 4.515 4.556 0.073 0.000 0.302 287 H C 1.853 177.199 175.328 0.030 0.000 1.075 287 H CA 1.903 57.938 56.048 -0.021 0.000 1.348 287 H CB 0.172 29.927 29.762 -0.011 0.000 1.393 287 H HN 0.167 nan 8.280 nan 0.000 0.509 288 V N -3.084 116.864 119.914 0.058 0.000 3.660 288 V HA 0.474 4.638 4.120 0.073 0.000 0.276 288 V C 0.897 177.120 176.094 0.215 0.000 1.317 288 V CA 0.498 62.854 62.300 0.094 0.000 1.097 288 V CB -0.281 31.610 31.823 0.114 0.000 0.863 288 V HN 0.681 nan 8.190 nan 0.000 0.438 289 G N -0.194 108.681 108.800 0.126 0.000 2.712 289 G HA2 -0.204 3.800 3.960 0.073 0.000 0.686 289 G HA3 -0.204 3.800 3.960 0.073 0.000 0.686 289 G C -0.419 174.572 174.900 0.150 0.000 1.181 289 G CA -0.065 45.102 45.100 0.110 0.000 0.762 289 G HN 0.352 nan 8.290 nan 0.000 0.641 290 F N 0.871 120.845 119.950 0.040 0.000 2.216 290 F HA -0.020 4.550 4.527 0.072 0.000 0.300 290 F C 2.270 178.147 175.800 0.128 0.000 1.085 290 F CA 2.410 60.476 58.000 0.110 0.000 1.326 290 F CB 0.145 39.196 39.000 0.085 0.000 1.027 290 F HN 0.522 nan 8.300 nan 0.000 0.497 291 D N -0.889 119.559 120.400 0.079 0.000 2.117 291 D HA -0.192 4.491 4.640 0.073 0.000 0.197 291 D C 2.036 178.270 176.300 -0.111 0.000 0.987 291 D CA 1.781 55.752 54.000 -0.048 0.000 0.829 291 D CB -0.628 40.096 40.800 -0.127 0.000 0.961 291 D HN 0.474 nan 8.370 nan 0.000 0.460 292 H N -1.243 117.817 119.070 -0.017 0.000 2.423 292 H HA -0.043 4.556 4.556 0.072 0.000 0.297 292 H C 1.741 177.023 175.328 -0.076 0.000 1.075 292 H CA 0.570 56.573 56.048 -0.075 0.000 1.342 292 H CB -0.012 29.701 29.762 -0.083 0.000 1.395 292 H HN 0.050 nan 8.280 nan 0.000 0.530 293 F N 1.925 121.799 119.950 -0.127 0.000 2.134 293 F HA -0.161 4.409 4.527 0.071 0.000 0.299 293 F C 2.092 177.735 175.800 -0.261 0.000 1.097 293 F CA 1.443 59.305 58.000 -0.229 0.000 1.264 293 F CB -0.106 38.679 39.000 -0.358 0.000 1.001 293 F HN 0.093 nan 8.300 nan 0.000 0.479 294 E N -0.395 119.577 120.200 -0.381 0.000 2.110 294 E HA -0.273 4.121 4.350 0.073 0.000 0.193 294 E C 2.147 178.649 176.600 -0.162 0.000 0.988 294 E CA 1.472 57.685 56.400 -0.311 0.000 0.804 294 E CB -0.197 29.394 29.700 -0.182 0.000 0.745 294 E HN 0.604 nan 8.360 nan 0.000 0.458 295 Q N 0.313 120.058 119.800 -0.091 0.000 2.079 295 Q HA -0.161 4.223 4.340 0.073 0.000 0.200 295 Q C 2.306 178.288 176.000 -0.030 0.000 0.974 295 Q CA 0.886 56.694 55.803 0.008 0.000 0.840 295 Q CB -0.116 28.642 28.738 0.033 0.000 0.898 295 Q HN 0.187 nan 8.270 nan 0.000 0.430 296 L N 0.645 121.798 121.223 -0.116 0.000 2.012 296 L HA -0.215 4.168 4.340 0.073 0.000 0.210 296 L C 1.936 178.772 176.870 -0.058 0.000 1.073 296 L CA 1.673 56.444 54.840 -0.114 0.000 0.748 296 L CB -0.360 41.601 42.059 -0.164 0.000 0.891 296 L HN 0.218 nan 8.230 nan 0.000 0.431 297 L N -1.273 119.841 121.223 -0.182 0.000 2.046 297 L HA -0.215 4.169 4.340 0.073 0.000 0.208 297 L C 2.498 179.315 176.870 -0.088 0.000 1.077 297 L CA 1.450 56.219 54.840 -0.117 0.000 0.747 297 L CB -0.737 41.187 42.059 -0.225 0.000 0.896 297 L HN 0.259 nan 8.230 nan 0.000 0.432 298 S N -0.001 115.664 115.700 -0.057 0.000 2.383 298 S HA -0.105 4.409 4.470 0.073 0.000 0.227 298 S C 2.024 176.545 174.600 -0.132 0.000 1.026 298 S CA 1.133 59.373 58.200 0.067 0.000 0.981 298 S CB -0.485 62.844 63.200 0.214 0.000 0.818 298 S HN 0.612 nan 8.310 nan 0.000 0.472 299 G N 1.455 109.857 108.800 -0.662 0.000 2.421 299 G HA2 -0.069 3.934 3.960 0.073 0.000 0.216 299 G HA3 -0.069 3.934 3.960 0.073 0.000 0.216 299 G C 1.580 176.218 174.900 -0.437 0.000 1.171 299 G CA 0.880 45.190 45.100 -1.317 0.000 0.775 299 G HN 0.566 nan 8.290 nan 0.000 0.543 300 A N 0.433 123.102 122.820 -0.252 0.000 1.908 300 A HA -0.144 4.220 4.320 0.073 0.000 0.218 300 A C 2.130 179.661 177.584 -0.089 0.000 1.181 300 A CA 2.189 54.077 52.037 -0.249 0.000 0.627 300 A CB -0.840 17.723 19.000 -0.729 0.000 0.818 300 A HN 0.519 nan 8.150 nan 0.000 0.445 301 H N -2.219 116.777 119.070 -0.124 0.000 2.352 301 H HA -0.209 4.391 4.556 0.072 0.000 0.299 301 H C 1.746 177.129 175.328 0.093 0.000 1.097 301 H CA 2.103 58.143 56.048 -0.013 0.000 1.311 301 H CB -0.480 29.287 29.762 0.009 0.000 1.377 301 H HN 0.687 nan 8.280 nan 0.000 0.504 302 W N 0.221 121.473 121.300 -0.080 0.000 2.335 302 W HA -0.284 4.419 4.660 0.072 0.000 0.311 302 W C 2.400 178.911 176.519 -0.015 0.000 1.213 302 W CA 2.068 59.395 57.345 -0.031 0.000 1.274 302 W CB -0.367 29.169 29.460 0.127 0.000 1.148 302 W HN 0.300 nan 8.180 nan 0.000 0.498 303 M N 1.016 120.826 119.600 0.349 0.000 2.213 303 M HA -0.175 4.348 4.480 0.073 0.000 0.263 303 M C 1.373 177.803 176.300 0.217 0.000 1.062 303 M CA 2.056 57.538 55.300 0.305 0.000 1.105 303 M CB -0.840 31.933 32.600 0.289 0.000 1.385 303 M HN -0.112 nan 8.290 nan 0.000 0.417 304 D N -0.314 120.193 120.400 0.179 0.000 2.104 304 D HA -0.182 4.502 4.640 0.073 0.000 0.194 304 D C 2.010 178.333 176.300 0.038 0.000 0.994 304 D CA 1.202 55.377 54.000 0.292 0.000 0.830 304 D CB -0.336 40.621 40.800 0.261 0.000 0.959 304 D HN 0.410 nan 8.370 nan 0.000 0.452 305 Q N -0.221 119.439 119.800 -0.233 0.000 2.119 305 Q HA -0.155 4.229 4.340 0.073 0.000 0.201 305 Q C 2.075 177.833 176.000 -0.404 0.000 0.972 305 Q CA 1.044 56.615 55.803 -0.386 0.000 0.847 305 Q CB -0.597 27.835 28.738 -0.510 0.000 0.903 305 Q HN 0.563 nan 8.270 nan 0.000 0.433 306 H N 0.042 118.793 119.070 -0.532 0.000 2.290 306 H HA -0.159 4.441 4.556 0.072 0.000 0.298 306 H C 1.705 176.920 175.328 -0.189 0.000 1.087 306 H CA 1.805 57.581 56.048 -0.454 0.000 1.291 306 H CB -0.370 29.095 29.762 -0.495 0.000 1.369 306 H HN 0.178 nan 8.280 nan 0.000 0.492 307 F N 0.304 120.097 119.950 -0.263 0.000 2.126 307 F HA -0.132 4.438 4.527 0.072 0.000 0.299 307 F C 2.151 177.677 175.800 -0.457 0.000 1.096 307 F CA 1.260 59.075 58.000 -0.309 0.000 1.255 307 F CB -0.817 38.021 39.000 -0.271 0.000 0.997 307 F HN 0.333 nan 8.300 nan 0.000 0.479 308 L N 0.391 121.202 121.223 -0.687 0.000 2.109 308 L HA -0.099 4.285 4.340 0.073 0.000 0.207 308 L C 1.899 178.389 176.870 -0.633 0.000 1.086 308 L CA 1.810 56.095 54.840 -0.926 0.000 0.760 308 L CB -0.607 40.845 42.059 -1.012 0.000 0.910 308 L HN -0.071 nan 8.230 nan 0.000 0.437 309 K N -1.485 118.618 120.400 -0.495 0.000 2.360 309 K HA 0.275 4.639 4.320 0.073 0.000 0.196 309 K C 0.301 176.700 176.600 -0.336 0.000 1.049 309 K CA 0.154 56.214 56.287 -0.379 0.000 1.049 309 K CB 0.165 32.473 32.500 -0.321 0.000 0.881 309 K HN 0.209 nan 8.250 nan 0.000 0.542 310 T N 4.251 118.565 114.554 -0.401 0.000 2.856 310 T HA 0.262 4.656 4.350 0.073 0.000 0.292 310 T C -2.599 171.941 174.700 -0.267 0.000 0.980 310 T CA -1.423 60.466 62.100 -0.352 0.000 1.091 310 T CB 1.400 69.935 68.868 -0.556 0.000 0.936 310 T HN -0.103 nan 8.240 nan 0.000 0.503 311 P HA 0.087 nan 4.420 nan 0.000 0.264 311 P C 1.107 178.331 177.300 -0.126 0.000 1.183 311 P CA -0.043 62.971 63.100 -0.145 0.000 0.763 311 P CB 0.411 32.045 31.700 -0.109 0.000 0.807 312 L N 2.477 123.634 121.223 -0.111 0.000 2.051 312 L HA -0.248 4.136 4.340 0.073 0.000 0.214 312 L C 2.275 179.105 176.870 -0.067 0.000 1.076 312 L CA 1.795 56.586 54.840 -0.081 0.000 0.758 312 L CB -0.815 41.201 42.059 -0.071 0.000 0.890 312 L HN 0.551 nan 8.230 nan 0.000 0.433 313 E N 0.612 120.771 120.200 -0.069 0.000 2.338 313 E HA -0.194 4.200 4.350 0.073 0.000 0.197 313 E C 0.884 177.464 176.600 -0.034 0.000 1.007 313 E CA 1.032 57.397 56.400 -0.060 0.000 0.849 313 E CB -0.063 29.598 29.700 -0.064 0.000 0.774 313 E HN 0.500 nan 8.360 nan 0.000 0.506 314 K N 0.790 121.173 120.400 -0.027 0.000 2.592 314 K HA 0.168 4.531 4.320 0.073 0.000 0.203 314 K C -0.005 176.630 176.600 0.058 0.000 1.070 314 K CA -0.316 55.986 56.287 0.025 0.000 1.062 314 K CB 0.371 32.883 32.500 0.021 0.000 0.814 314 K HN -0.057 nan 8.250 nan 0.000 0.502 315 N N 1.469 120.177 118.700 0.014 0.000 2.485 315 N HA 0.181 4.964 4.740 0.073 0.000 0.243 315 N C 0.636 176.250 175.510 0.173 0.000 0.987 315 N CA 0.105 53.171 53.050 0.027 0.000 0.940 315 N CB 1.572 40.030 38.487 -0.048 0.000 1.122 315 N HN 0.099 nan 8.380 nan 0.000 0.509 316 A N 6.779 129.857 122.820 0.430 0.000 1.859 316 A HA -0.074 4.290 4.320 0.073 0.000 0.217 316 A C -0.580 177.044 177.584 0.068 0.000 1.198 316 A CA 1.373 53.532 52.037 0.203 0.000 0.629 316 A CB -1.287 17.803 19.000 0.151 0.000 0.830 316 A HN 0.614 nan 8.150 nan 0.000 0.446 317 P HA -0.088 nan 4.420 nan 0.000 0.217 317 P C 1.649 178.930 177.300 -0.032 0.000 1.150 317 P CA 1.421 64.492 63.100 -0.048 0.000 0.832 317 P CB -0.290 31.317 31.700 -0.155 0.000 0.787 318 V N 0.357 120.302 119.914 0.052 0.000 2.295 318 V HA -0.221 3.943 4.120 0.073 0.000 0.246 318 V C 2.773 178.840 176.094 -0.044 0.000 1.049 318 V CA 1.613 63.941 62.300 0.047 0.000 1.024 318 V CB -1.280 30.597 31.823 0.090 0.000 0.648 318 V HN 0.012 nan 8.190 nan 0.000 0.447 319 L N -0.754 120.415 121.223 -0.090 0.000 2.046 319 L HA -0.190 4.193 4.340 0.073 0.000 0.208 319 L C 2.447 179.215 176.870 -0.171 0.000 1.077 319 L CA 1.496 56.211 54.840 -0.208 0.000 0.747 319 L CB -0.620 41.194 42.059 -0.409 0.000 0.896 319 L HN 0.303 nan 8.230 nan 0.000 0.432 320 L N -0.264 120.891 121.223 -0.113 0.000 2.042 320 L HA -0.219 4.165 4.340 0.073 0.000 0.210 320 L C 2.929 179.785 176.870 -0.024 0.000 1.076 320 L CA 1.238 56.050 54.840 -0.046 0.000 0.749 320 L CB -0.786 41.224 42.059 -0.082 0.000 0.893 320 L HN 0.258 nan 8.230 nan 0.000 0.432 321 A N 0.189 122.974 122.820 -0.059 0.000 1.877 321 A HA -0.174 4.189 4.320 0.073 0.000 0.216 321 A C 2.248 179.790 177.584 -0.069 0.000 1.186 321 A CA 1.509 53.499 52.037 -0.078 0.000 0.620 321 A CB -0.714 18.229 19.000 -0.096 0.000 0.822 321 A HN 0.362 nan 8.150 nan 0.000 0.443 322 L N -0.796 120.389 121.223 -0.064 0.000 2.093 322 L HA -0.147 4.237 4.340 0.073 0.000 0.208 322 L C 2.522 179.399 176.870 0.011 0.000 1.085 322 L CA 0.838 55.649 54.840 -0.048 0.000 0.755 322 L CB -0.505 41.505 42.059 -0.082 0.000 0.904 322 L HN 0.362 nan 8.230 nan 0.000 0.435 323 L N -0.485 120.747 121.223 0.014 0.000 2.083 323 L HA -0.142 4.241 4.340 0.073 0.000 0.209 323 L C 2.675 179.654 176.870 0.182 0.000 1.083 323 L CA 1.395 56.280 54.840 0.074 0.000 0.752 323 L CB -1.111 41.045 42.059 0.162 0.000 0.899 323 L HN 0.301 nan 8.230 nan 0.000 0.433 324 G N 0.336 109.265 108.800 0.215 0.000 2.421 324 G HA2 -0.228 3.776 3.960 0.073 0.000 0.216 324 G HA3 -0.228 3.776 3.960 0.073 0.000 0.216 324 G C 1.514 176.586 174.900 0.288 0.000 1.171 324 G CA 0.562 45.829 45.100 0.278 0.000 0.775 324 G HN 0.151 nan 8.290 nan 0.000 0.543 325 I N 0.017 120.695 120.570 0.181 0.000 2.163 325 I HA -0.174 4.039 4.170 0.073 0.000 0.243 325 I C 2.423 178.739 176.117 0.332 0.000 1.085 325 I CA 0.898 62.337 61.300 0.232 0.000 1.347 325 I CB -1.212 36.835 38.000 0.077 0.000 1.044 325 I HN 0.490 nan 8.210 nan 0.000 0.408 326 W N 1.271 122.594 121.300 0.039 0.000 2.318 326 W HA -0.315 4.388 4.660 0.072 0.000 0.313 326 W C 2.517 179.103 176.519 0.112 0.000 1.221 326 W CA 1.495 58.833 57.345 -0.012 0.000 1.266 326 W CB -0.434 28.902 29.460 -0.206 0.000 1.150 326 W HN 0.102 nan 8.180 nan 0.000 0.496 327 Y N 0.223 120.709 120.300 0.309 0.000 2.337 327 Y HA -0.097 4.497 4.550 0.072 0.000 0.293 327 Y C 2.438 178.454 175.900 0.194 0.000 1.123 327 Y CA 1.280 59.496 58.100 0.193 0.000 1.201 327 Y CB -1.039 37.529 38.460 0.181 0.000 1.011 327 Y HN -0.093 nan 8.280 nan 0.000 0.545 328 I N -0.232 120.563 120.570 0.376 0.000 2.235 328 I HA -0.244 3.970 4.170 0.073 0.000 0.241 328 I C 1.341 177.605 176.117 0.245 0.000 1.085 328 I CA 1.513 63.004 61.300 0.318 0.000 1.378 328 I CB -0.251 37.997 38.000 0.413 0.000 1.076 328 I HN 0.136 nan 8.210 nan 0.000 0.415 329 N N -0.898 117.974 118.700 0.286 0.000 2.424 329 N HA -0.014 4.769 4.740 0.073 0.000 0.178 329 N C 1.481 177.075 175.510 0.141 0.000 1.060 329 N CA 0.531 53.755 53.050 0.290 0.000 0.901 329 N CB 0.206 38.962 38.487 0.449 0.000 0.979 329 N HN 0.314 nan 8.380 nan 0.000 0.451 330 C N -1.142 118.103 119.300 -0.092 0.000 2.469 330 C HA 0.186 4.690 4.460 0.073 0.000 0.309 330 C C 1.872 176.355 174.990 -0.846 0.000 1.385 330 C CA -0.136 58.499 59.018 -0.639 0.000 1.890 330 C CB -0.898 26.216 27.740 -1.044 0.000 2.245 330 C HN 0.416 nan 8.230 nan 0.000 0.530 331 Y N 1.256 121.281 120.300 -0.460 0.000 2.519 331 Y HA 0.235 4.828 4.550 0.072 0.000 0.287 331 Y C 2.133 178.020 175.900 -0.021 0.000 1.128 331 Y CA 1.213 59.224 58.100 -0.148 0.000 1.282 331 Y CB -0.336 38.139 38.460 0.025 0.000 1.027 331 Y HN 0.458 nan 8.280 nan 0.000 0.551 332 G N -0.246 108.633 108.800 0.131 0.000 2.160 332 G HA2 -0.298 3.705 3.960 0.073 0.000 0.244 332 G HA3 -0.298 3.705 3.960 0.073 0.000 0.244 332 G C -0.200 174.780 174.900 0.135 0.000 1.022 332 G CA -0.046 45.123 45.100 0.115 0.000 0.741 332 G HN 0.300 nan 8.290 nan 0.000 0.508 333 C N 0.632 120.040 119.300 0.180 0.000 2.627 333 C HA 0.334 4.837 4.460 0.073 0.000 0.404 333 C C 1.838 176.916 174.990 0.148 0.000 1.340 333 C CA -0.170 58.939 59.018 0.152 0.000 1.758 333 C CB 0.414 28.245 27.740 0.152 0.000 2.501 333 C HN 0.623 nan 8.230 nan 0.000 0.588 334 E N 0.730 120.996 120.200 0.110 0.000 2.208 334 E HA -0.084 4.310 4.350 0.073 0.000 0.193 334 E C 1.173 177.858 176.600 0.141 0.000 0.988 334 E CA 1.049 57.506 56.400 0.096 0.000 0.828 334 E CB 0.250 29.980 29.700 0.049 0.000 0.763 334 E HN 0.898 nan 8.360 nan 0.000 0.478 335 T N -2.229 112.438 114.554 0.188 0.000 2.930 335 T HA 0.432 4.826 4.350 0.073 0.000 0.290 335 T C -1.038 173.859 174.700 0.329 0.000 1.052 335 T CA -0.898 61.377 62.100 0.293 0.000 1.017 335 T CB 2.135 71.242 68.868 0.399 0.000 1.137 335 T HN 0.053 nan 8.240 nan 0.000 0.511 336 H N -0.059 119.140 119.070 0.215 0.000 3.018 336 H HA 0.645 5.244 4.556 0.073 0.000 0.334 336 H C -0.817 174.421 175.328 -0.151 0.000 0.983 336 H CA -0.236 55.856 56.048 0.073 0.000 1.363 336 H CB 1.161 30.990 29.762 0.112 0.000 1.668 336 H HN 1.062 nan 8.280 nan 0.000 0.513 337 A N 5.872 128.271 122.820 -0.702 0.000 2.290 337 A HA 0.522 4.885 4.320 0.073 0.000 0.310 337 A C -0.882 176.324 177.584 -0.629 0.000 1.202 337 A CA -0.686 50.773 52.037 -0.964 0.000 0.837 337 A CB 0.322 18.620 19.000 -1.170 0.000 1.139 337 A HN 0.706 nan 8.150 nan 0.000 0.509 338 L N 3.487 124.466 121.223 -0.408 0.000 2.280 338 L HA 0.420 4.804 4.340 0.073 0.000 0.287 338 L C -0.854 175.956 176.870 -0.100 0.000 1.023 338 L CA -0.111 54.652 54.840 -0.129 0.000 0.819 338 L CB 1.044 43.128 42.059 0.042 0.000 1.212 338 L HN 0.613 nan 8.230 nan 0.000 0.420 339 L N 5.935 127.098 121.223 -0.101 0.000 2.457 339 L HA 0.375 4.758 4.340 0.073 0.000 0.252 339 L C -2.353 174.600 176.870 0.139 0.000 1.132 339 L CA -1.587 53.200 54.840 -0.087 0.000 0.938 339 L CB 1.179 42.982 42.059 -0.427 0.000 1.246 339 L HN 0.336 nan 8.230 nan 0.000 0.476 340 P HA 0.060 nan 4.420 nan 0.000 0.282 340 P C -0.831 176.638 177.300 0.282 0.000 1.262 340 P CA -0.185 63.074 63.100 0.266 0.000 0.773 340 P CB 0.632 32.414 31.700 0.137 0.000 0.879 341 Y N 2.172 122.591 120.300 0.197 0.000 2.830 341 Y HA 0.286 4.880 4.550 0.072 0.000 0.371 341 Y C 0.311 176.281 175.900 0.117 0.000 1.246 341 Y CA 0.309 58.513 58.100 0.174 0.000 1.890 341 Y CB -0.415 38.199 38.460 0.256 0.000 1.995 341 Y HN 0.391 nan 8.280 nan 0.000 0.430 342 D N -0.576 119.915 120.400 0.152 0.000 2.688 342 D HA 0.082 4.766 4.640 0.073 0.000 0.210 342 D C 0.560 176.924 176.300 0.108 0.000 1.333 342 D CA -0.266 53.824 54.000 0.149 0.000 0.920 342 D CB 1.050 41.975 40.800 0.208 0.000 1.554 342 D HN 0.029 nan 8.370 nan 0.000 0.579 343 Q N 2.190 122.001 119.800 0.019 0.000 2.124 343 Q HA -0.109 4.274 4.340 0.073 0.000 0.202 343 Q C 0.868 176.906 176.000 0.063 0.000 0.977 343 Q CA 1.720 57.498 55.803 -0.042 0.000 0.850 343 Q CB -0.143 28.474 28.738 -0.202 0.000 0.901 343 Q HN 0.775 nan 8.270 nan 0.000 0.429 344 Y N -0.914 119.468 120.300 0.137 0.000 2.274 344 Y HA -0.125 4.469 4.550 0.072 0.000 0.290 344 Y C 1.555 177.588 175.900 0.221 0.000 1.145 344 Y CA 0.635 58.843 58.100 0.179 0.000 1.203 344 Y CB 0.020 38.562 38.460 0.136 0.000 0.984 344 Y HN 0.115 nan 8.280 nan 0.000 0.533 345 M N 0.483 120.276 119.600 0.322 0.000 2.654 345 M HA -0.043 4.481 4.480 0.073 0.000 0.217 345 M C 1.255 177.694 176.300 0.231 0.000 1.183 345 M CA 0.464 55.900 55.300 0.228 0.000 0.991 345 M CB -0.548 32.129 32.600 0.128 0.000 1.749 345 M HN 0.484 nan 8.290 nan 0.000 0.475 346 H N -1.239 117.909 119.070 0.131 0.000 2.518 346 H HA 0.018 4.618 4.556 0.074 0.000 0.289 346 H C 1.464 176.857 175.328 0.108 0.000 1.051 346 H CA 0.807 56.916 56.048 0.101 0.000 1.280 346 H CB 0.089 29.886 29.762 0.058 0.000 1.380 346 H HN 0.131 nan 8.280 nan 0.000 0.566 347 R N -0.431 119.877 120.500 -0.321 0.000 2.432 347 R HA 0.093 4.477 4.340 0.073 0.000 0.260 347 R C 0.820 177.107 176.300 -0.022 0.000 0.935 347 R CA -0.219 55.741 56.100 -0.232 0.000 1.080 347 R CB -0.767 29.297 30.300 -0.394 0.000 1.155 347 R HN 0.350 nan 8.270 nan 0.000 0.531 348 F N 1.959 121.877 119.950 -0.054 0.000 2.102 348 F HA -0.181 4.393 4.527 0.077 0.000 0.298 348 F C 2.155 178.018 175.800 0.106 0.000 1.105 348 F CA 1.791 59.810 58.000 0.032 0.000 1.239 348 F CB -0.083 38.967 39.000 0.084 0.000 0.991 348 F HN 0.100 nan 8.300 nan 0.000 0.474 349 A N 0.235 123.172 122.820 0.195 0.000 1.902 349 A HA -0.098 4.266 4.320 0.073 0.000 0.217 349 A C 2.391 179.979 177.584 0.008 0.000 1.181 349 A CA 1.888 53.977 52.037 0.086 0.000 0.623 349 A CB -1.591 17.468 19.000 0.099 0.000 0.818 349 A HN 0.495 nan 8.150 nan 0.000 0.443 350 A N -1.567 121.252 122.820 -0.002 0.000 1.933 350 A HA -0.120 4.244 4.320 0.073 0.000 0.218 350 A C 2.124 179.633 177.584 -0.124 0.000 1.175 350 A CA 1.686 53.695 52.037 -0.046 0.000 0.628 350 A CB -0.823 18.148 19.000 -0.049 0.000 0.814 350 A HN 0.748 nan 8.150 nan 0.000 0.444 351 Y N -0.771 119.347 120.300 -0.303 0.000 2.128 351 Y HA -0.221 4.375 4.550 0.078 0.000 0.284 351 Y C 1.840 177.397 175.900 -0.572 0.000 1.154 351 Y CA 2.094 59.900 58.100 -0.489 0.000 1.149 351 Y CB -0.423 37.642 38.460 -0.659 0.000 0.976 351 Y HN 0.285 nan 8.280 nan 0.000 0.505 352 F N -0.026 119.710 119.950 -0.357 0.000 2.710 352 F HA -0.064 4.507 4.527 0.073 0.000 0.298 352 F C 2.488 178.121 175.800 -0.278 0.000 1.137 352 F CA 0.788 58.550 58.000 -0.397 0.000 1.444 352 F CB -0.248 38.487 39.000 -0.440 0.000 1.111 352 F HN 0.118 nan 8.300 nan 0.000 0.580 353 Q N 0.478 120.230 119.800 -0.080 0.000 2.077 353 Q HA -0.322 4.062 4.340 0.073 0.000 0.206 353 Q C 2.313 178.233 176.000 -0.132 0.000 0.989 353 Q CA 2.210 57.977 55.803 -0.061 0.000 0.853 353 Q CB -0.148 28.562 28.738 -0.046 0.000 0.907 353 Q HN 0.502 nan 8.270 nan 0.000 0.418 354 Q N -1.080 118.562 119.800 -0.263 0.000 2.016 354 Q HA -0.129 4.254 4.340 0.073 0.000 0.200 354 Q C 1.989 177.780 176.000 -0.348 0.000 0.978 354 Q CA 1.555 57.170 55.803 -0.312 0.000 0.833 354 Q CB -0.424 28.069 28.738 -0.408 0.000 0.895 354 Q HN 0.472 nan 8.270 nan 0.000 0.427 355 G N 0.827 109.311 108.800 -0.527 0.000 2.469 355 G HA2 -0.324 3.680 3.960 0.073 0.000 0.219 355 G HA3 -0.324 3.680 3.960 0.073 0.000 0.219 355 G C 1.242 176.061 174.900 -0.135 0.000 1.150 355 G CA 1.160 45.982 45.100 -0.464 0.000 0.763 355 G HN 0.442 nan 8.290 nan 0.000 0.561 356 D N 0.135 120.534 120.400 -0.002 0.000 2.106 356 D HA 0.018 4.702 4.640 0.073 0.000 0.203 356 D C 2.759 179.073 176.300 0.023 0.000 0.977 356 D CA 0.691 54.727 54.000 0.060 0.000 0.844 356 D CB -0.164 40.687 40.800 0.084 0.000 1.002 356 D HN 0.290 nan 8.370 nan 0.000 0.461 357 M N 0.336 119.931 119.600 -0.008 0.000 2.175 357 M HA -0.063 4.461 4.480 0.073 0.000 0.264 357 M C 2.180 178.456 176.300 -0.039 0.000 1.063 357 M CA 0.987 56.282 55.300 -0.009 0.000 1.119 357 M CB -0.125 32.468 32.600 -0.011 0.000 1.377 357 M HN 0.017 nan 8.290 nan 0.000 0.415 358 E N -0.099 120.053 120.200 -0.079 0.000 2.208 358 E HA -0.114 4.279 4.350 0.073 0.000 0.193 358 E C 1.804 178.359 176.600 -0.074 0.000 0.988 358 E CA 0.993 57.339 56.400 -0.089 0.000 0.828 358 E CB 0.265 29.889 29.700 -0.128 0.000 0.763 358 E HN 0.390 nan 8.360 nan 0.000 0.478 359 S N 0.816 116.480 115.700 -0.060 0.000 2.345 359 S HA -0.025 4.489 4.470 0.073 0.000 0.219 359 S C 1.323 175.903 174.600 -0.033 0.000 1.031 359 S CA 0.887 59.056 58.200 -0.051 0.000 0.984 359 S CB 0.020 63.216 63.200 -0.007 0.000 0.874 359 S HN 0.254 nan 8.310 nan 0.000 0.451 360 N N 0.541 119.259 118.700 0.030 0.000 2.187 360 N HA 0.186 4.970 4.740 0.073 0.000 0.212 360 N C 0.357 175.881 175.510 0.022 0.000 1.152 360 N CA 0.021 53.130 53.050 0.099 0.000 0.872 360 N CB 0.566 39.233 38.487 0.300 0.000 1.025 360 N HN 0.290 nan 8.380 nan 0.000 0.514 361 G N 1.143 109.935 108.800 -0.013 0.000 3.101 361 G HA2 0.161 4.165 3.960 0.073 0.000 0.272 361 G HA3 0.161 4.165 3.960 0.073 0.000 0.272 361 G C 0.152 175.019 174.900 -0.055 0.000 0.801 361 G CA -0.005 45.071 45.100 -0.039 0.000 1.978 361 G HN -0.130 nan 8.290 nan 0.000 0.591 362 K N 0.607 120.971 120.400 -0.059 0.000 2.482 362 K HA 0.315 4.679 4.320 0.073 0.000 0.257 362 K C -0.492 176.095 176.600 -0.023 0.000 0.969 362 K CA -0.959 55.286 56.287 -0.071 0.000 0.842 362 K CB 2.006 34.496 32.500 -0.017 0.000 1.359 362 K HN 0.483 nan 8.250 nan 0.000 0.441 363 Y N -1.325 118.954 120.300 -0.034 0.000 2.666 363 Y HA 0.423 5.025 4.550 0.085 0.000 0.260 363 Y C -0.118 175.759 175.900 -0.038 0.000 1.089 363 Y CA -0.669 57.385 58.100 -0.076 0.000 1.246 363 Y CB 0.828 39.232 38.460 -0.094 0.000 1.353 363 Y HN 0.129 nan 8.280 nan 0.000 0.558 364 I N 3.135 123.791 120.570 0.142 0.000 2.404 364 I HA 0.288 4.502 4.170 0.073 0.000 0.293 364 I C 0.517 176.732 176.117 0.163 0.000 0.992 364 I CA -0.645 60.750 61.300 0.158 0.000 1.149 364 I CB 1.691 39.768 38.000 0.128 0.000 1.315 364 I HN 0.292 nan 8.210 nan 0.000 0.446 365 T N 1.673 116.319 114.554 0.155 0.000 2.862 365 T HA 0.280 4.674 4.350 0.073 0.000 0.276 365 T C 1.120 175.924 174.700 0.173 0.000 0.974 365 T CA -0.620 61.586 62.100 0.176 0.000 0.966 365 T CB 1.618 70.569 68.868 0.138 0.000 1.072 365 T HN 0.654 nan 8.240 nan 0.000 0.538 366 K N 0.247 120.720 120.400 0.121 0.000 2.160 366 K HA -0.160 4.204 4.320 0.073 0.000 0.206 366 K C 2.247 178.767 176.600 -0.132 0.000 1.047 366 K CA 1.818 57.997 56.287 -0.179 0.000 0.930 366 K CB -0.503 31.804 32.500 -0.321 0.000 0.720 366 K HN 0.718 nan 8.250 nan 0.000 0.450 367 S N -1.507 114.175 115.700 -0.030 0.000 2.562 367 S HA 0.100 4.613 4.470 0.073 0.000 0.221 367 S C 1.334 175.943 174.600 0.015 0.000 0.975 367 S CA 0.578 58.769 58.200 -0.015 0.000 0.918 367 S CB 0.265 63.468 63.200 0.005 0.000 0.772 367 S HN 0.556 nan 8.310 nan 0.000 0.531 368 G N 0.527 109.354 108.800 0.045 0.000 2.175 368 G HA2 -0.089 3.914 3.960 0.073 0.000 0.244 368 G HA3 -0.089 3.914 3.960 0.073 0.000 0.244 368 G C 0.232 175.170 174.900 0.062 0.000 0.982 368 G CA -0.085 45.051 45.100 0.060 0.000 0.641 368 G HN 1.284 nan 8.290 nan 0.000 0.527 369 A N 0.333 123.188 122.820 0.060 0.000 2.388 369 A HA 0.688 5.051 4.320 0.073 0.000 0.257 369 A C 0.818 178.442 177.584 0.066 0.000 1.095 369 A CA 0.056 52.126 52.037 0.054 0.000 0.791 369 A CB 0.370 19.398 19.000 0.048 0.000 1.029 369 A HN 0.549 nan 8.150 nan 0.000 0.489 370 R N 1.608 122.136 120.500 0.046 0.000 2.442 370 R HA 0.301 4.685 4.340 0.073 0.000 0.291 370 R C 0.121 176.402 176.300 -0.032 0.000 1.069 370 R CA -0.120 55.999 56.100 0.032 0.000 1.022 370 R CB 0.314 30.596 30.300 -0.030 0.000 0.976 370 R HN 0.747 nan 8.270 nan 0.000 0.443 371 V N 1.760 121.623 119.914 -0.086 0.000 2.763 371 V HA 0.021 4.185 4.120 0.073 0.000 0.306 371 V C 0.360 176.288 176.094 -0.277 0.000 1.059 371 V CA -0.133 61.988 62.300 -0.298 0.000 1.138 371 V CB 1.017 32.474 31.823 -0.609 0.000 0.940 371 V HN 0.896 nan 8.190 nan 0.000 0.489 372 D N 1.775 122.047 120.400 -0.214 0.000 2.670 372 D HA 0.236 4.919 4.640 0.073 0.000 0.255 372 D C 0.013 176.309 176.300 -0.007 0.000 1.286 372 D CA 0.024 53.974 54.000 -0.082 0.000 0.830 372 D CB -0.530 40.278 40.800 0.013 0.000 1.065 372 D HN 1.038 nan 8.370 nan 0.000 0.486 373 H N -3.630 115.405 119.070 -0.057 0.000 2.990 373 H HA 0.519 5.119 4.556 0.073 0.000 0.336 373 H C -0.618 174.620 175.328 -0.150 0.000 1.306 373 H CA -1.066 54.943 56.048 -0.066 0.000 1.118 373 H CB 0.456 30.174 29.762 -0.074 0.000 1.856 373 H HN -0.307 nan 8.280 nan 0.000 0.538 374 Q N 0.845 120.640 119.800 -0.008 0.000 2.373 374 Q HA 0.269 4.653 4.340 0.073 0.000 0.255 374 Q C 0.297 176.001 176.000 -0.494 0.000 0.980 374 Q CA 0.619 56.320 55.803 -0.170 0.000 0.882 374 Q CB 1.561 30.263 28.738 -0.060 0.000 1.249 374 Q HN 0.980 nan 8.270 nan 0.000 0.438 375 T N -2.242 111.899 114.554 -0.688 0.000 2.747 375 T HA 0.543 4.937 4.350 0.073 0.000 0.236 375 T C 0.604 174.686 174.700 -1.030 0.000 1.046 375 T CA -0.249 61.023 62.100 -1.379 0.000 1.054 375 T CB -0.393 67.993 68.868 -0.802 0.000 2.287 375 T HN 0.578 nan 8.240 nan 0.000 0.523 376 G N 3.087 111.534 108.800 -0.588 0.000 2.391 376 G HA2 0.454 4.458 3.960 0.073 0.000 0.234 376 G HA3 0.454 4.458 3.960 0.073 0.000 0.234 376 G C -2.226 172.674 174.900 -0.001 0.000 1.284 376 G CA -0.680 44.379 45.100 -0.068 0.000 0.873 376 G HN 0.684 nan 8.290 nan 0.000 0.549 377 P HA 0.348 nan 4.420 nan 0.000 0.278 377 P C -0.174 177.205 177.300 0.132 0.000 1.266 377 P CA -0.721 62.464 63.100 0.141 0.000 0.807 377 P CB 1.396 33.233 31.700 0.228 0.000 1.094 378 I N 0.608 121.263 120.570 0.142 0.000 2.396 378 I HA 0.108 4.322 4.170 0.073 0.000 0.289 378 I C 0.273 176.553 176.117 0.271 0.000 1.056 378 I CA -0.434 60.955 61.300 0.148 0.000 1.365 378 I CB 0.713 38.765 38.000 0.087 0.000 1.407 378 I HN -0.029 nan 8.210 nan 0.000 0.509 379 V N 7.559 127.610 119.914 0.228 0.000 2.481 379 V HA 0.482 4.646 4.120 0.073 0.000 0.286 379 V C -0.319 175.944 176.094 0.282 0.000 1.042 379 V CA -0.302 62.140 62.300 0.237 0.000 0.928 379 V CB 1.181 33.091 31.823 0.144 0.000 0.986 379 V HN 0.821 nan 8.190 nan 0.000 0.462 380 W N 2.839 124.134 121.300 -0.010 0.000 2.959 380 W HA 0.839 5.541 4.660 0.070 0.000 0.358 380 W C -0.303 176.176 176.519 -0.068 0.000 1.228 380 W CA -0.615 56.692 57.345 -0.063 0.000 1.183 380 W CB 1.306 30.691 29.460 -0.124 0.000 1.467 380 W HN 1.048 nan 8.180 nan 0.000 0.578 381 G N 0.835 109.627 108.800 -0.013 0.000 2.350 381 G HA2 0.347 4.351 3.960 0.073 0.000 0.305 381 G HA3 0.347 4.351 3.960 0.073 0.000 0.305 381 G C -2.040 172.943 174.900 0.138 0.000 1.479 381 G CA -0.897 44.102 45.100 -0.168 0.000 0.949 381 G HN 0.524 nan 8.290 nan 0.000 0.651 382 E N 0.056 120.438 120.200 0.303 0.000 2.367 382 E HA 0.564 4.957 4.350 0.073 0.000 0.273 382 E C -2.579 174.130 176.600 0.182 0.000 0.903 382 E CA -1.482 55.094 56.400 0.294 0.000 0.764 382 E CB 2.869 32.825 29.700 0.426 0.000 1.252 382 E HN 0.364 nan 8.360 nan 0.000 0.446 383 P HA 0.098 nan 4.420 nan 0.000 0.269 383 P C 0.070 177.244 177.300 -0.209 0.000 1.209 383 P CA -0.112 62.981 63.100 -0.011 0.000 0.776 383 P CB 0.460 32.179 31.700 0.032 0.000 0.876 384 G N 0.692 109.159 108.800 -0.556 0.000 2.476 384 G HA2 0.338 4.342 3.960 0.073 0.000 0.269 384 G HA3 0.338 4.342 3.960 0.073 0.000 0.269 384 G C 1.008 175.489 174.900 -0.699 0.000 1.195 384 G CA -0.291 44.146 45.100 -1.105 0.000 0.843 384 G HN 0.535 nan 8.290 nan 0.000 0.545 385 T N -0.989 113.327 114.554 -0.397 0.000 3.100 385 T HA -0.037 4.357 4.350 0.073 0.000 0.253 385 T C 1.709 176.271 174.700 -0.229 0.000 1.118 385 T CA 0.449 62.367 62.100 -0.302 0.000 1.058 385 T CB -0.149 68.715 68.868 -0.005 0.000 0.953 385 T HN 0.396 nan 8.240 nan 0.000 0.515 386 N N 2.270 120.839 118.700 -0.218 0.000 2.094 386 N HA -0.032 4.752 4.740 0.073 0.000 0.191 386 N C 2.167 177.513 175.510 -0.272 0.000 1.023 386 N CA 1.629 54.583 53.050 -0.161 0.000 0.857 386 N CB -0.911 37.506 38.487 -0.117 0.000 1.013 386 N HN 0.565 nan 8.380 nan 0.000 0.426 387 G N 0.673 109.199 108.800 -0.458 0.000 2.505 387 G HA2 -0.338 3.666 3.960 0.073 0.000 0.220 387 G HA3 -0.338 3.666 3.960 0.073 0.000 0.220 387 G C 1.342 175.483 174.900 -1.264 0.000 1.145 387 G CA 0.864 45.409 45.100 -0.926 0.000 0.761 387 G HN 0.384 nan 8.290 nan 0.000 0.571 388 Q N -0.645 118.326 119.800 -1.382 0.000 2.234 388 Q HA -0.107 4.276 4.340 0.073 0.000 0.206 388 Q C 1.783 177.397 176.000 -0.642 0.000 0.980 388 Q CA 1.213 56.319 55.803 -1.163 0.000 0.869 388 Q CB -0.109 28.174 28.738 -0.759 0.000 0.912 388 Q HN 0.677 nan 8.270 nan 0.000 0.436 389 H N -2.198 116.654 119.070 -0.363 0.000 2.549 389 H HA 0.356 4.955 4.556 0.072 0.000 0.279 389 H C 0.892 176.135 175.328 -0.142 0.000 1.018 389 H CA 0.460 56.397 56.048 -0.184 0.000 1.175 389 H CB 0.795 30.470 29.762 -0.145 0.000 1.485 389 H HN 0.246 nan 8.280 nan 0.000 0.543 390 A N 0.815 123.549 122.820 -0.144 0.000 2.080 390 A HA 0.125 4.489 4.320 0.073 0.000 0.211 390 A C 1.166 178.805 177.584 0.093 0.000 1.708 390 A CA 0.176 52.196 52.037 -0.029 0.000 0.825 390 A CB -0.261 18.742 19.000 0.005 0.000 1.261 390 A HN 0.228 nan 8.150 nan 0.000 0.573 391 F N -3.855 116.244 119.950 0.248 0.000 2.798 391 F HA 0.467 5.038 4.527 0.074 0.000 0.328 391 F C 1.126 177.170 175.800 0.406 0.000 1.098 391 F CA -0.805 57.374 58.000 0.299 0.000 1.172 391 F CB -0.136 39.066 39.000 0.335 0.000 1.072 391 F HN 0.088 nan 8.300 nan 0.000 0.555 392 Y N 1.771 122.122 120.300 0.084 0.000 2.403 392 Y HA -0.136 4.458 4.550 0.072 0.000 0.291 392 Y C 2.656 178.749 175.900 0.321 0.000 1.143 392 Y CA 1.221 59.462 58.100 0.235 0.000 1.257 392 Y CB -0.896 37.675 38.460 0.184 0.000 0.984 392 Y HN 0.310 nan 8.280 nan 0.000 0.550 393 Q N 0.723 120.749 119.800 0.377 0.000 2.096 393 Q HA -0.231 4.153 4.340 0.073 0.000 0.208 393 Q C 2.202 178.350 176.000 0.248 0.000 0.993 393 Q CA 2.057 58.024 55.803 0.273 0.000 0.862 393 Q CB -0.812 28.029 28.738 0.172 0.000 0.915 393 Q HN 0.612 nan 8.270 nan 0.000 0.416 394 L N -0.728 120.644 121.223 0.248 0.000 2.109 394 L HA -0.027 4.356 4.340 0.073 0.000 0.207 394 L C 2.145 179.116 176.870 0.169 0.000 1.086 394 L CA 0.966 55.915 54.840 0.182 0.000 0.760 394 L CB -0.149 42.010 42.059 0.166 0.000 0.910 394 L HN 0.348 nan 8.230 nan 0.000 0.437 395 I N -0.962 119.730 120.570 0.204 0.000 2.226 395 I HA -0.312 3.902 4.170 0.073 0.000 0.245 395 I C 2.369 178.482 176.117 -0.008 0.000 1.100 395 I CA 1.092 62.431 61.300 0.064 0.000 1.374 395 I CB -0.687 37.279 38.000 -0.057 0.000 1.057 395 I HN 0.358 nan 8.210 nan 0.000 0.413 396 H N 0.475 119.636 119.070 0.153 0.000 2.403 396 H HA 0.036 4.636 4.556 0.073 0.000 0.298 396 H C 1.230 176.606 175.328 0.079 0.000 1.059 396 H CA 1.134 57.294 56.048 0.187 0.000 1.363 396 H CB 0.298 30.272 29.762 0.353 0.000 1.410 396 H HN 0.480 nan 8.280 nan 0.000 0.528 397 Q N -0.132 119.750 119.800 0.137 0.000 2.057 397 Q HA 0.213 4.596 4.340 0.073 0.000 0.216 397 Q C 0.713 176.720 176.000 0.012 0.000 0.788 397 Q CA -0.275 55.525 55.803 -0.005 0.000 1.053 397 Q CB 1.966 30.628 28.738 -0.127 0.000 1.210 397 Q HN 0.206 nan 8.270 nan 0.000 0.455 398 G N 0.481 109.309 108.800 0.046 0.000 2.509 398 G HA2 0.190 4.193 3.960 0.073 0.000 0.269 398 G HA3 0.190 4.193 3.960 0.073 0.000 0.269 398 G C 0.662 175.575 174.900 0.022 0.000 1.416 398 G CA 0.146 45.267 45.100 0.036 0.000 1.052 398 G HN 0.161 nan 8.290 nan 0.000 0.542 399 T N -2.650 111.916 114.554 0.018 0.000 3.174 399 T HA 0.404 4.798 4.350 0.073 0.000 0.269 399 T C 0.265 174.977 174.700 0.021 0.000 1.017 399 T CA -0.258 61.851 62.100 0.016 0.000 0.899 399 T CB 0.172 69.046 68.868 0.009 0.000 1.077 399 T HN 0.171 nan 8.240 nan 0.000 0.552 400 K N 1.540 121.954 120.400 0.024 0.000 2.207 400 K HA 0.589 4.953 4.320 0.073 0.000 0.255 400 K C -0.737 175.878 176.600 0.024 0.000 0.941 400 K CA -0.648 55.655 56.287 0.027 0.000 0.825 400 K CB 1.946 34.461 32.500 0.025 0.000 1.119 400 K HN 0.238 nan 8.250 nan 0.000 0.430 401 M N 4.767 124.379 119.600 0.020 0.000 2.108 401 M HA 0.413 4.936 4.480 0.073 0.000 0.354 401 M C -1.277 175.008 176.300 -0.025 0.000 1.229 401 M CA -0.259 55.028 55.300 -0.023 0.000 1.081 401 M CB 0.301 32.880 32.600 -0.035 0.000 1.606 401 M HN 0.554 nan 8.290 nan 0.000 0.467 402 I N 7.860 128.396 120.570 -0.056 0.000 2.521 402 I HA 0.356 4.570 4.170 0.073 0.000 0.277 402 I C -2.271 173.762 176.117 -0.140 0.000 1.054 402 I CA -1.917 59.372 61.300 -0.019 0.000 1.117 402 I CB 1.505 39.563 38.000 0.095 0.000 1.217 402 I HN 0.483 nan 8.210 nan 0.000 0.469 403 P HA 0.068 nan 4.420 nan 0.000 0.263 403 P C -0.884 176.252 177.300 -0.274 0.000 1.195 403 P CA -0.050 62.892 63.100 -0.263 0.000 0.762 403 P CB 0.350 31.968 31.700 -0.136 0.000 0.799 404 C N 3.262 122.450 119.300 -0.187 0.000 2.455 404 C HA 0.375 4.879 4.460 0.073 0.000 0.320 404 C C -0.273 174.720 174.990 0.005 0.000 1.226 404 C CA -0.455 58.445 59.018 -0.197 0.000 1.569 404 C CB 1.250 28.970 27.740 -0.032 0.000 2.200 404 C HN 0.498 nan 8.230 nan 0.000 0.491 405 D N 2.001 122.372 120.400 -0.050 0.000 2.329 405 D HA 0.422 5.106 4.640 0.073 0.000 0.232 405 D C -0.677 175.749 176.300 0.211 0.000 1.088 405 D CA 0.020 54.154 54.000 0.222 0.000 0.835 405 D CB 0.643 41.663 40.800 0.368 0.000 1.078 405 D HN 0.265 nan 8.370 nan 0.000 0.495 406 F N 2.064 122.102 119.950 0.146 0.000 2.410 406 F HA 0.393 4.964 4.527 0.074 0.000 0.349 406 F C 0.067 176.172 175.800 0.510 0.000 1.117 406 F CA -0.653 57.477 58.000 0.216 0.000 1.104 406 F CB 0.773 39.630 39.000 -0.239 0.000 1.122 406 F HN 0.050 nan 8.300 nan 0.000 0.483 407 L N 5.324 126.968 121.223 0.702 0.000 2.381 407 L HA 0.705 5.089 4.340 0.073 0.000 0.268 407 L C -0.794 176.251 176.870 0.292 0.000 0.997 407 L CA -0.432 54.743 54.840 0.558 0.000 0.818 407 L CB 2.316 44.652 42.059 0.461 0.000 1.310 407 L HN 0.563 nan 8.230 nan 0.000 0.416 408 I N 2.977 123.373 120.570 -0.291 0.000 2.787 408 I HA 0.472 4.685 4.170 0.073 0.000 0.294 408 I C -2.743 172.637 176.117 -1.227 0.000 1.365 408 I CA -1.679 59.243 61.300 -0.630 0.000 1.029 408 I CB 3.480 40.900 38.000 -0.967 0.000 1.313 408 I HN 0.394 nan 8.210 nan 0.000 0.431 409 P HA 0.160 nan 4.420 nan 0.000 0.285 409 P C 0.526 177.703 177.300 -0.205 0.000 1.259 409 P CA -0.184 62.575 63.100 -0.569 0.000 0.794 409 P CB 1.881 33.557 31.700 -0.040 0.000 0.940 410 V N 2.605 122.417 119.914 -0.169 0.000 2.295 410 V HA -0.187 3.976 4.120 0.073 0.000 0.246 410 V C 1.299 177.459 176.094 0.110 0.000 1.049 410 V CA 1.786 64.068 62.300 -0.030 0.000 1.024 410 V CB -0.988 30.805 31.823 -0.050 0.000 0.648 410 V HN 0.585 nan 8.190 nan 0.000 0.447 411 Q N 0.058 119.866 119.800 0.013 0.000 2.278 411 Q HA 0.370 4.753 4.340 0.073 0.000 0.257 411 Q C -0.055 175.818 176.000 -0.211 0.000 0.928 411 Q CA -0.084 55.679 55.803 -0.067 0.000 0.932 411 Q CB 1.700 30.422 28.738 -0.027 0.000 1.221 411 Q HN 0.370 nan 8.270 nan 0.000 0.434 412 T N 1.121 115.389 114.554 -0.477 0.000 2.909 412 T HA 0.057 4.451 4.350 0.073 0.000 0.286 412 T C 1.022 175.583 174.700 -0.231 0.000 1.002 412 T CA -0.463 61.346 62.100 -0.484 0.000 1.074 412 T CB 0.883 69.275 68.868 -0.794 0.000 0.984 412 T HN 0.509 nan 8.240 nan 0.000 0.495 413 Q N 1.714 121.419 119.800 -0.158 0.000 2.436 413 Q HA -0.014 4.370 4.340 0.073 0.000 0.209 413 Q C -0.009 175.657 176.000 -0.556 0.000 0.965 413 Q CA 1.099 56.721 55.803 -0.301 0.000 0.910 413 Q CB 0.067 28.660 28.738 -0.241 0.000 0.980 413 Q HN 0.644 nan 8.270 nan 0.000 0.491 414 H N 0.294 119.321 119.070 -0.072 0.000 2.429 414 H HA 0.197 4.796 4.556 0.072 0.000 0.231 414 H C -2.112 173.156 175.328 -0.100 0.000 1.416 414 H CA -1.726 54.273 56.048 -0.082 0.000 1.443 414 H CB 1.052 30.762 29.762 -0.086 0.000 1.591 414 H HN 0.029 nan 8.280 nan 0.000 0.507 415 P HA 0.064 nan 4.420 nan 0.000 0.225 415 P C 0.781 178.086 177.300 0.009 0.000 1.768 415 P CA -0.172 62.919 63.100 -0.015 0.000 0.943 415 P CB -0.854 30.825 31.700 -0.035 0.000 1.936 416 I N -3.126 117.443 120.570 -0.002 0.000 3.060 416 I HA 0.231 4.444 4.170 0.073 0.000 0.285 416 I C 0.747 176.884 176.117 0.034 0.000 1.190 416 I CA -0.660 60.627 61.300 -0.023 0.000 1.363 416 I CB 0.073 37.995 38.000 -0.129 0.000 1.396 416 I HN -0.056 nan 8.210 nan 0.000 0.607 417 R N 2.148 122.672 120.500 0.040 0.000 3.416 417 R HA -0.212 4.172 4.340 0.073 0.000 0.263 417 R C 0.057 176.398 176.300 0.068 0.000 1.053 417 R CA 1.010 57.156 56.100 0.076 0.000 0.705 417 R CB -2.014 28.381 30.300 0.159 0.000 1.124 417 R HN 0.918 nan 8.270 nan 0.000 0.444 418 K N -1.419 119.007 120.400 0.043 0.000 3.016 418 K HA -0.290 4.074 4.320 0.073 0.000 0.262 418 K C 0.842 177.471 176.600 0.048 0.000 1.043 418 K CA 1.116 57.424 56.287 0.035 0.000 0.761 418 K CB -1.542 30.973 32.500 0.026 0.000 1.230 418 K HN 0.915 nan 8.250 nan 0.000 0.485 419 G N -0.258 108.583 108.800 0.069 0.000 2.157 419 G HA2 -0.328 3.675 3.960 0.073 0.000 0.248 419 G HA3 -0.328 3.675 3.960 0.073 0.000 0.248 419 G C 0.557 175.531 174.900 0.123 0.000 0.979 419 G CA 0.318 45.475 45.100 0.095 0.000 0.650 419 G HN 0.268 nan 8.290 nan 0.000 0.529 420 L N 0.343 121.640 121.223 0.124 0.000 2.017 420 L HA 0.060 4.444 4.340 0.073 0.000 0.208 420 L C 2.491 179.418 176.870 0.095 0.000 1.073 420 L CA 2.918 57.812 54.840 0.090 0.000 0.745 420 L CB -0.591 41.507 42.059 0.066 0.000 0.894 420 L HN 0.477 nan 8.230 nan 0.000 0.432 421 H N -1.968 117.131 119.070 0.048 0.000 2.321 421 H HA -0.201 4.399 4.556 0.073 0.000 0.300 421 H C 2.116 177.503 175.328 0.098 0.000 1.087 421 H CA 1.899 57.981 56.048 0.056 0.000 1.319 421 H CB -0.061 29.730 29.762 0.048 0.000 1.379 421 H HN 0.507 nan 8.280 nan 0.000 0.501 422 H N 1.156 120.307 119.070 0.136 0.000 2.423 422 H HA -0.045 4.555 4.556 0.072 0.000 0.297 422 H C 2.397 177.750 175.328 0.041 0.000 1.075 422 H CA 1.290 57.382 56.048 0.072 0.000 1.342 422 H CB 0.135 29.923 29.762 0.044 0.000 1.395 422 H HN 0.133 nan 8.280 nan 0.000 0.530 423 K N 0.347 120.779 120.400 0.054 0.000 2.020 423 K HA -0.154 4.210 4.320 0.073 0.000 0.212 423 K C 2.042 178.617 176.600 -0.041 0.000 1.050 423 K CA 2.009 58.286 56.287 -0.017 0.000 0.929 423 K CB -0.262 32.243 32.500 0.008 0.000 0.714 423 K HN 0.331 nan 8.250 nan 0.000 0.443 424 I N 1.068 121.627 120.570 -0.019 0.000 2.226 424 I HA -0.284 3.930 4.170 0.073 0.000 0.245 424 I C 2.441 178.565 176.117 0.012 0.000 1.100 424 I CA 0.570 61.861 61.300 -0.016 0.000 1.374 424 I CB -0.237 37.739 38.000 -0.040 0.000 1.057 424 I HN 0.187 nan 8.210 nan 0.000 0.413 425 L N 0.636 121.868 121.223 0.015 0.000 2.012 425 L HA -0.209 4.175 4.340 0.073 0.000 0.210 425 L C 2.344 179.237 176.870 0.038 0.000 1.073 425 L CA 1.883 56.767 54.840 0.074 0.000 0.748 425 L CB -0.441 41.656 42.059 0.064 0.000 0.891 425 L HN 0.123 nan 8.230 nan 0.000 0.431 426 L N -0.831 120.293 121.223 -0.166 0.000 2.046 426 L HA -0.216 4.168 4.340 0.073 0.000 0.208 426 L C 2.680 179.540 176.870 -0.016 0.000 1.077 426 L CA 1.315 56.057 54.840 -0.165 0.000 0.747 426 L CB -0.913 40.988 42.059 -0.263 0.000 0.896 426 L HN 0.380 nan 8.230 nan 0.000 0.432 427 A N -0.051 122.755 122.820 -0.023 0.000 1.908 427 A HA -0.238 4.125 4.320 0.073 0.000 0.218 427 A C 2.121 179.710 177.584 0.008 0.000 1.181 427 A CA 2.048 54.077 52.037 -0.013 0.000 0.627 427 A CB -0.636 18.351 19.000 -0.021 0.000 0.818 427 A HN 0.493 nan 8.150 nan 0.000 0.445 428 N N -1.346 117.393 118.700 0.066 0.000 2.171 428 N HA -0.124 4.659 4.740 0.073 0.000 0.184 428 N C 1.625 177.159 175.510 0.039 0.000 1.021 428 N CA 1.492 54.612 53.050 0.117 0.000 0.854 428 N CB -0.409 38.232 38.487 0.256 0.000 0.994 428 N HN 0.548 nan 8.380 nan 0.000 0.426 429 F N 2.311 122.096 119.950 -0.275 0.000 2.087 429 F HA -0.196 4.374 4.527 0.072 0.000 0.299 429 F C 2.123 177.691 175.800 -0.387 0.000 1.100 429 F CA 1.412 59.020 58.000 -0.654 0.000 1.226 429 F CB -0.356 38.306 39.000 -0.563 0.000 0.983 429 F HN -0.070 nan 8.300 nan 0.000 0.479 430 L N -0.243 120.908 121.223 -0.119 0.000 2.072 430 L HA -0.098 4.286 4.340 0.073 0.000 0.205 430 L C 2.809 179.515 176.870 -0.273 0.000 1.079 430 L CA 1.044 55.763 54.840 -0.202 0.000 0.752 430 L CB -1.142 40.887 42.059 -0.048 0.000 0.906 430 L HN 0.243 nan 8.230 nan 0.000 0.436 431 A N -0.865 121.846 122.820 -0.182 0.000 1.930 431 A HA -0.181 4.183 4.320 0.073 0.000 0.217 431 A C 2.278 179.758 177.584 -0.173 0.000 1.175 431 A CA 1.107 53.051 52.037 -0.155 0.000 0.627 431 A CB -0.309 18.636 19.000 -0.093 0.000 0.815 431 A HN 0.359 nan 8.150 nan 0.000 0.443 432 Q N -0.295 119.399 119.800 -0.177 0.000 2.084 432 Q HA -0.143 4.241 4.340 0.073 0.000 0.202 432 Q C 2.417 178.218 176.000 -0.332 0.000 0.978 432 Q CA 2.249 57.998 55.803 -0.090 0.000 0.844 432 Q CB -0.879 27.970 28.738 0.185 0.000 0.898 432 Q HN 0.873 nan 8.270 nan 0.000 0.426 433 T N -1.960 112.185 114.554 -0.681 0.000 2.904 433 T HA -0.084 4.309 4.350 0.073 0.000 0.267 433 T C 1.698 176.169 174.700 -0.381 0.000 1.059 433 T CA 1.169 62.862 62.100 -0.679 0.000 1.137 433 T CB -0.015 68.344 68.868 -0.847 0.000 0.879 433 T HN 0.306 nan 8.240 nan 0.000 0.467 434 E N 1.474 121.475 120.200 -0.332 0.000 2.051 434 E HA -0.100 4.294 4.350 0.073 0.000 0.192 434 E C 2.472 178.961 176.600 -0.184 0.000 0.991 434 E CA 1.086 57.332 56.400 -0.258 0.000 0.799 434 E CB -0.444 29.114 29.700 -0.237 0.000 0.748 434 E HN 0.638 nan 8.360 nan 0.000 0.449 435 A N 1.042 123.776 122.820 -0.142 0.000 1.877 435 A HA -0.156 4.208 4.320 0.073 0.000 0.216 435 A C 2.220 179.819 177.584 0.025 0.000 1.186 435 A CA 1.195 53.186 52.037 -0.076 0.000 0.620 435 A CB -0.715 18.256 19.000 -0.049 0.000 0.822 435 A HN 0.306 nan 8.150 nan 0.000 0.443 436 L N -1.099 120.131 121.223 0.012 0.000 2.083 436 L HA -0.202 4.182 4.340 0.073 0.000 0.209 436 L C 2.850 179.702 176.870 -0.029 0.000 1.083 436 L CA 1.464 56.282 54.840 -0.036 0.000 0.752 436 L CB -0.409 41.538 42.059 -0.187 0.000 0.899 436 L HN 0.494 nan 8.230 nan 0.000 0.433 437 M N -0.037 119.521 119.600 -0.070 0.000 2.098 437 M HA -0.188 4.336 4.480 0.073 0.000 0.262 437 M C 2.232 178.527 176.300 -0.010 0.000 1.072 437 M CA 1.908 57.183 55.300 -0.041 0.000 1.133 437 M CB -0.288 32.250 32.600 -0.104 0.000 1.344 437 M HN 0.098 nan 8.290 nan 0.000 0.414 438 K N -0.413 119.961 120.400 -0.043 0.000 2.062 438 K HA 0.068 4.432 4.320 0.073 0.000 0.205 438 K C 1.102 177.710 176.600 0.014 0.000 1.051 438 K CA 0.757 57.027 56.287 -0.029 0.000 0.941 438 K CB -0.306 32.148 32.500 -0.076 0.000 0.719 438 K HN 0.630 nan 8.250 nan 0.000 0.440 439 G N 1.562 110.379 108.800 0.029 0.000 2.641 439 G HA2 -0.328 3.676 3.960 0.073 0.000 0.254 439 G HA3 -0.328 3.676 3.960 0.073 0.000 0.254 439 G C -0.600 174.329 174.900 0.047 0.000 1.315 439 G CA 0.088 45.249 45.100 0.102 0.000 0.907 439 G HN 0.287 nan 8.290 nan 0.000 0.572 440 K N -0.473 120.014 120.400 0.145 0.000 2.652 440 K HA 0.510 4.873 4.320 0.073 0.000 0.249 440 K C 0.069 176.743 176.600 0.124 0.000 0.986 440 K CA -0.805 55.546 56.287 0.107 0.000 0.867 440 K CB 0.717 33.289 32.500 0.121 0.000 1.201 440 K HN 0.567 nan 8.250 nan 0.000 0.450 441 L N 5.529 126.796 121.223 0.073 0.000 2.467 441 L HA 0.146 4.529 4.340 0.073 0.000 0.270 441 L C -1.472 175.432 176.870 0.056 0.000 1.205 441 L CA -1.618 53.257 54.840 0.059 0.000 0.828 441 L CB 0.423 42.506 42.059 0.040 0.000 1.101 441 L HN 0.545 nan 8.230 nan 0.000 0.479 442 P HA -0.215 nan 4.420 nan 0.000 0.216 442 P C 1.038 178.356 177.300 0.031 0.000 1.154 442 P CA 1.217 64.338 63.100 0.034 0.000 0.865 442 P CB 0.201 31.913 31.700 0.021 0.000 0.789 443 E N -0.316 119.899 120.200 0.026 0.000 2.106 443 E HA -0.169 4.225 4.350 0.073 0.000 0.192 443 E C 1.934 178.547 176.600 0.022 0.000 0.984 443 E CA 1.103 57.516 56.400 0.021 0.000 0.806 443 E CB -0.533 29.178 29.700 0.017 0.000 0.750 443 E HN 0.473 nan 8.360 nan 0.000 0.458 444 E N 0.657 120.872 120.200 0.025 0.000 2.072 444 E HA -0.106 4.288 4.350 0.073 0.000 0.191 444 E C 2.049 178.666 176.600 0.028 0.000 0.985 444 E CA 1.006 57.418 56.400 0.021 0.000 0.801 444 E CB -0.107 29.604 29.700 0.019 0.000 0.750 444 E HN 0.188 nan 8.360 nan 0.000 0.452 445 A N 1.730 124.577 122.820 0.045 0.000 1.902 445 A HA -0.202 4.161 4.320 0.073 0.000 0.217 445 A C 2.126 179.734 177.584 0.040 0.000 1.181 445 A CA 1.450 53.521 52.037 0.055 0.000 0.623 445 A CB -0.475 18.573 19.000 0.081 0.000 0.818 445 A HN 0.083 nan 8.150 nan 0.000 0.443 446 R N 0.067 120.587 120.500 0.033 0.000 2.083 446 R HA -0.180 4.203 4.340 0.073 0.000 0.237 446 R C 2.075 178.387 176.300 0.020 0.000 1.137 446 R CA 1.992 58.107 56.100 0.025 0.000 0.951 446 R CB -0.276 30.036 30.300 0.021 0.000 0.851 446 R HN 0.512 nan 8.270 nan 0.000 0.434 447 K N 0.184 120.593 120.400 0.017 0.000 2.097 447 K HA -0.172 4.191 4.320 0.073 0.000 0.206 447 K C 2.078 178.684 176.600 0.010 0.000 1.049 447 K CA 1.813 58.107 56.287 0.011 0.000 0.933 447 K CB -0.082 32.422 32.500 0.008 0.000 0.717 447 K HN 0.391 nan 8.250 nan 0.000 0.442 448 E N 0.807 121.015 120.200 0.013 0.000 2.077 448 E HA -0.153 4.240 4.350 0.073 0.000 0.193 448 E C 2.077 178.685 176.600 0.014 0.000 0.989 448 E CA 0.902 57.309 56.400 0.011 0.000 0.800 448 E CB -0.041 29.667 29.700 0.015 0.000 0.746 448 E HN 0.202 nan 8.360 nan 0.000 0.452 449 L N 0.586 121.821 121.223 0.020 0.000 2.093 449 L HA -0.205 4.179 4.340 0.073 0.000 0.208 449 L C 2.641 179.519 176.870 0.014 0.000 1.085 449 L CA 0.832 55.683 54.840 0.020 0.000 0.755 449 L CB -0.185 41.889 42.059 0.026 0.000 0.904 449 L HN 0.102 nan 8.230 nan 0.000 0.435 450 Q N 0.320 120.128 119.800 0.013 0.000 2.050 450 Q HA -0.172 4.212 4.340 0.073 0.000 0.202 450 Q C 2.217 178.221 176.000 0.006 0.000 0.980 450 Q CA 2.141 57.949 55.803 0.009 0.000 0.840 450 Q CB -0.329 28.414 28.738 0.009 0.000 0.898 450 Q HN 0.442 nan 8.270 nan 0.000 0.424 451 A N -0.172 122.651 122.820 0.005 0.000 2.015 451 A HA 0.036 4.400 4.320 0.073 0.000 0.219 451 A C 2.136 179.722 177.584 0.002 0.000 1.163 451 A CA 1.548 53.586 52.037 0.002 0.000 0.646 451 A CB -0.805 18.195 19.000 0.000 0.000 0.806 451 A HN 0.455 nan 8.150 nan 0.000 0.448 452 A N -1.721 121.102 122.820 0.004 0.000 2.119 452 A HA 0.379 4.743 4.320 0.073 0.000 0.216 452 A C 1.792 179.378 177.584 0.003 0.000 1.152 452 A CA 1.347 53.386 52.037 0.004 0.000 0.708 452 A CB -0.783 18.221 19.000 0.006 0.000 0.805 452 A HN 1.879 nan 8.150 nan 0.000 0.460 453 G N -0.794 108.008 108.800 0.004 0.000 2.130 453 G HA2 -0.180 3.823 3.960 0.073 0.000 0.216 453 G HA3 -0.180 3.823 3.960 0.073 0.000 0.216 453 G C -0.084 174.819 174.900 0.004 0.000 0.999 453 G CA 0.056 45.158 45.100 0.003 0.000 0.686 453 G HN 0.374 nan 8.290 nan 0.000 0.515 454 K N 1.466 121.869 120.400 0.007 0.000 2.298 454 K HA 0.415 4.778 4.320 0.073 0.000 0.280 454 K C 1.218 177.823 176.600 0.008 0.000 1.032 454 K CA 0.383 56.674 56.287 0.008 0.000 0.958 454 K CB 1.289 33.796 32.500 0.011 0.000 0.978 454 K HN 0.693 nan 8.250 nan 0.000 0.472 455 S N 2.349 118.053 115.700 0.007 0.000 2.579 455 S HA 0.087 4.601 4.470 0.073 0.000 0.275 455 S C -1.689 172.916 174.600 0.008 0.000 1.345 455 S CA -0.995 57.209 58.200 0.006 0.000 1.031 455 S CB 0.689 63.892 63.200 0.005 0.000 0.892 455 S HN 0.290 nan 8.310 nan 0.000 0.529 456 P HA -0.169 nan 4.420 nan 0.000 0.217 456 P C 1.343 178.650 177.300 0.011 0.000 1.151 456 P CA 1.576 64.681 63.100 0.009 0.000 0.849 456 P CB 0.063 31.767 31.700 0.008 0.000 0.787 457 E N -0.882 119.324 120.200 0.010 0.000 2.028 457 E HA -0.179 4.215 4.350 0.073 0.000 0.191 457 E C 1.630 178.238 176.600 0.014 0.000 0.988 457 E CA 1.266 57.673 56.400 0.011 0.000 0.799 457 E CB -0.320 29.385 29.700 0.008 0.000 0.755 457 E HN 0.130 nan 8.360 nan 0.000 0.447 458 D N 0.368 120.775 120.400 0.012 0.000 2.144 458 D HA -0.153 4.531 4.640 0.073 0.000 0.200 458 D C 1.995 178.307 176.300 0.020 0.000 0.978 458 D CA 0.499 54.507 54.000 0.013 0.000 0.833 458 D CB -0.213 40.591 40.800 0.008 0.000 0.961 458 D HN 0.166 nan 8.370 nan 0.000 0.470 459 L N 0.742 121.977 121.223 0.019 0.000 1.989 459 L HA -0.215 4.169 4.340 0.073 0.000 0.211 459 L C 2.179 179.068 176.870 0.031 0.000 1.071 459 L CA 1.627 56.482 54.840 0.024 0.000 0.749 459 L CB -0.047 42.023 42.059 0.019 0.000 0.890 459 L HN -0.159 nan 8.230 nan 0.000 0.431 460 E N 0.079 120.295 120.200 0.027 0.000 2.110 460 E HA -0.230 4.164 4.350 0.073 0.000 0.193 460 E C 2.163 178.789 176.600 0.043 0.000 0.988 460 E CA 1.264 57.681 56.400 0.028 0.000 0.804 460 E CB -0.016 29.696 29.700 0.021 0.000 0.745 460 E HN 0.350 nan 8.360 nan 0.000 0.458 461 K N -0.515 119.913 120.400 0.046 0.000 2.097 461 K HA -0.030 4.334 4.320 0.073 0.000 0.205 461 K C 2.062 178.733 176.600 0.118 0.000 1.050 461 K CA 0.783 57.110 56.287 0.066 0.000 0.938 461 K CB -0.045 32.477 32.500 0.038 0.000 0.718 461 K HN 0.185 nan 8.250 nan 0.000 0.442 462 L N 0.604 121.882 121.223 0.092 0.000 2.307 462 L HA -0.074 4.309 4.340 0.073 0.000 0.211 462 L C 2.110 179.069 176.870 0.149 0.000 1.099 462 L CA 0.025 54.935 54.840 0.116 0.000 0.816 462 L CB -0.035 42.055 42.059 0.053 0.000 0.952 462 L HN 0.127 nan 8.230 nan 0.000 0.455 463 L N 1.483 122.760 121.223 0.091 0.000 1.978 463 L HA -0.188 4.196 4.340 0.073 0.000 0.218 463 L C -0.554 176.337 176.870 0.035 0.000 1.075 463 L CA 2.451 57.326 54.840 0.058 0.000 0.767 463 L CB -1.646 40.434 42.059 0.035 0.000 0.890 463 L HN 0.125 nan 8.230 nan 0.000 0.434 464 P HA -0.198 nan 4.420 nan 0.000 0.218 464 P C 1.250 178.446 177.300 -0.173 0.000 1.148 464 P CA 1.775 64.804 63.100 -0.119 0.000 0.822 464 P CB -0.527 31.049 31.700 -0.206 0.000 0.784 465 H N 0.054 119.100 119.070 -0.039 0.000 2.491 465 H HA 0.042 4.642 4.556 0.072 0.000 0.290 465 H C 1.526 176.797 175.328 -0.095 0.000 1.050 465 H CA 0.914 56.923 56.048 -0.066 0.000 1.309 465 H CB 0.059 29.797 29.762 -0.041 0.000 1.392 465 H HN 0.214 nan 8.280 nan 0.000 0.554 466 K N 1.012 121.449 120.400 0.062 0.000 2.404 466 K HA 0.139 4.502 4.320 0.073 0.000 0.194 466 K C 0.414 177.071 176.600 0.095 0.000 1.023 466 K CA 0.007 56.342 56.287 0.080 0.000 1.094 466 K CB 0.790 33.360 32.500 0.116 0.000 0.841 466 K HN -0.019 nan 8.250 nan 0.000 0.523 467 V N 2.321 122.232 119.914 -0.005 0.000 2.530 467 V HA 0.141 4.305 4.120 0.073 0.000 0.282 467 V C -0.186 175.874 176.094 -0.056 0.000 1.048 467 V CA -0.224 62.103 62.300 0.045 0.000 0.997 467 V CB 0.194 32.020 31.823 0.004 0.000 0.987 467 V HN -0.029 nan 8.190 nan 0.000 0.477 468 F N 2.952 122.915 119.950 0.022 0.000 2.375 468 F HA 0.406 4.976 4.527 0.072 0.000 0.361 468 F C 1.311 177.135 175.800 0.039 0.000 1.117 468 F CA -0.625 57.400 58.000 0.041 0.000 1.037 468 F CB 1.364 40.391 39.000 0.045 0.000 1.192 468 F HN 0.572 nan 8.300 nan 0.000 0.452 469 E N 2.297 122.585 120.200 0.147 0.000 2.268 469 E HA 0.053 4.447 4.350 0.073 0.000 0.195 469 E C 1.694 178.365 176.600 0.118 0.000 0.995 469 E CA 0.581 57.043 56.400 0.103 0.000 0.836 469 E CB -0.007 29.728 29.700 0.057 0.000 0.763 469 E HN 0.947 nan 8.360 nan 0.000 0.491 470 G N 1.869 110.764 108.800 0.159 0.000 2.574 470 G HA2 -0.445 3.559 3.960 0.073 0.000 0.282 470 G HA3 -0.445 3.559 3.960 0.073 0.000 0.282 470 G C 0.253 175.198 174.900 0.075 0.000 1.257 470 G CA 0.165 45.339 45.100 0.123 0.000 0.956 470 G HN 0.336 nan 8.290 nan 0.000 0.560 471 N N -1.067 117.671 118.700 0.063 0.000 2.714 471 N HA -0.180 4.603 4.740 0.073 0.000 0.250 471 N C 0.241 175.766 175.510 0.026 0.000 1.117 471 N CA 1.821 54.907 53.050 0.060 0.000 0.719 471 N CB -0.616 37.915 38.487 0.073 0.000 1.081 471 N HN 0.831 nan 8.380 nan 0.000 0.557 472 R N 0.719 121.219 120.500 -0.000 0.000 2.198 472 R HA 0.360 4.743 4.340 0.073 0.000 0.339 472 R C -2.178 174.080 176.300 -0.069 0.000 1.020 472 R CA -1.417 54.650 56.100 -0.055 0.000 0.864 472 R CB 1.078 31.334 30.300 -0.072 0.000 1.105 472 R HN 0.155 nan 8.270 nan 0.000 0.463 473 P HA 0.104 nan 4.420 nan 0.000 0.285 473 P C -0.802 176.469 177.300 -0.049 0.000 1.259 473 P CA -0.328 62.752 63.100 -0.034 0.000 0.794 473 P CB 1.673 33.365 31.700 -0.012 0.000 0.940 474 T N -0.478 114.090 114.554 0.024 0.000 2.896 474 T HA 0.485 4.879 4.350 0.073 0.000 0.297 474 T C -0.469 174.324 174.700 0.155 0.000 1.108 474 T CA -0.967 61.168 62.100 0.059 0.000 1.004 474 T CB 1.046 69.871 68.868 -0.071 0.000 1.159 474 T HN 0.268 nan 8.240 nan 0.000 0.499 475 N N 0.189 119.024 118.700 0.225 0.000 2.443 475 N HA 0.593 5.376 4.740 0.073 0.000 0.295 475 N C -1.026 174.641 175.510 0.263 0.000 1.076 475 N CA -0.787 52.430 53.050 0.279 0.000 0.919 475 N CB 1.572 40.259 38.487 0.334 0.000 1.176 475 N HN 0.516 nan 8.380 nan 0.000 0.487 476 S N 1.660 117.515 115.700 0.258 0.000 2.498 476 S HA 0.473 4.987 4.470 0.073 0.000 0.317 476 S C -0.556 174.289 174.600 0.408 0.000 1.090 476 S CA -0.524 57.862 58.200 0.310 0.000 1.089 476 S CB 0.324 63.633 63.200 0.182 0.000 0.997 476 S HN 0.356 nan 8.310 nan 0.000 0.470 477 I N 3.874 124.738 120.570 0.490 0.000 2.390 477 I HA 0.417 4.631 4.170 0.073 0.000 0.283 477 I C -0.870 175.490 176.117 0.404 0.000 1.016 477 I CA -0.624 60.943 61.300 0.445 0.000 1.151 477 I CB 1.410 39.681 38.000 0.452 0.000 1.293 477 I HN 0.241 nan 8.210 nan 0.000 0.458 478 V N 6.981 127.059 119.914 0.273 0.000 2.604 478 V HA 0.585 4.749 4.120 0.073 0.000 0.305 478 V C -0.529 175.613 176.094 0.081 0.000 1.043 478 V CA -0.713 61.551 62.300 -0.059 0.000 0.888 478 V CB 1.540 33.326 31.823 -0.061 0.000 0.995 478 V HN 0.528 nan 8.190 nan 0.000 0.429 479 F N -0.102 119.874 119.950 0.043 0.000 2.599 479 F HA 0.604 5.175 4.527 0.073 0.000 0.311 479 F C 1.163 176.993 175.800 0.049 0.000 1.076 479 F CA -0.862 57.174 58.000 0.059 0.000 0.937 479 F CB 1.169 40.204 39.000 0.058 0.000 1.282 479 F HN 0.294 nan 8.300 nan 0.000 0.460 480 T N -0.523 114.164 114.554 0.222 0.000 2.665 480 T HA -0.155 4.239 4.350 0.073 0.000 0.268 480 T C 0.282 175.051 174.700 0.114 0.000 1.035 480 T CA 1.842 64.016 62.100 0.123 0.000 1.151 480 T CB -0.197 68.749 68.868 0.130 0.000 0.862 480 T HN 0.611 nan 8.240 nan 0.000 0.438 481 K N -0.404 120.125 120.400 0.216 0.000 2.578 481 K HA 0.383 4.747 4.320 0.073 0.000 0.269 481 K C -2.058 174.738 176.600 0.326 0.000 0.941 481 K CA -0.761 55.648 56.287 0.203 0.000 0.847 481 K CB 1.380 33.958 32.500 0.130 0.000 1.397 481 K HN -0.082 nan 8.250 nan 0.000 0.422 482 L N 4.057 125.472 121.223 0.321 0.000 2.384 482 L HA 0.211 4.595 4.340 0.073 0.000 0.258 482 L C -0.192 176.782 176.870 0.173 0.000 1.266 482 L CA 0.344 55.347 54.840 0.271 0.000 1.162 482 L CB -0.305 41.939 42.059 0.307 0.000 1.375 482 L HN 0.677 nan 8.230 nan 0.000 0.420 483 T N 0.592 115.211 114.554 0.108 0.000 2.847 483 T HA 0.421 4.814 4.350 0.073 0.000 0.279 483 T C -1.676 172.923 174.700 -0.168 0.000 0.984 483 T CA -1.656 60.419 62.100 -0.042 0.000 0.988 483 T CB 0.935 69.810 68.868 0.011 0.000 1.040 483 T HN 0.192 nan 8.240 nan 0.000 0.528 484 P HA -0.072 nan 4.420 nan 0.000 0.215 484 P C 1.273 178.524 177.300 -0.082 0.000 1.157 484 P CA 0.873 63.820 63.100 -0.256 0.000 0.874 484 P CB -0.162 31.352 31.700 -0.310 0.000 0.790 485 F N 0.096 119.948 119.950 -0.163 0.000 2.069 485 F HA -0.222 4.349 4.527 0.074 0.000 0.298 485 F C 2.020 177.774 175.800 -0.076 0.000 1.113 485 F CA 1.558 59.492 58.000 -0.111 0.000 1.214 485 F CB -0.577 38.334 39.000 -0.148 0.000 0.978 485 F HN -0.236 nan 8.300 nan 0.000 0.474 486 I N 0.018 120.679 120.570 0.152 0.000 2.315 486 I HA -0.227 3.986 4.170 0.073 0.000 0.248 486 I C 2.405 178.438 176.117 -0.140 0.000 1.117 486 I CA 1.046 62.356 61.300 0.017 0.000 1.404 486 I CB -1.453 36.587 38.000 0.067 0.000 1.071 486 I HN 0.291 nan 8.210 nan 0.000 0.419 487 L N 1.539 122.696 121.223 -0.111 0.000 2.042 487 L HA -0.085 4.298 4.340 0.073 0.000 0.210 487 L C 2.420 179.295 176.870 0.008 0.000 1.076 487 L CA 2.256 57.044 54.840 -0.087 0.000 0.749 487 L CB -1.227 40.791 42.059 -0.067 0.000 0.893 487 L HN 0.203 nan 8.230 nan 0.000 0.432 488 G N -1.052 107.743 108.800 -0.008 0.000 2.446 488 G HA2 -0.288 3.715 3.960 0.073 0.000 0.217 488 G HA3 -0.288 3.715 3.960 0.073 0.000 0.217 488 G C 1.614 176.560 174.900 0.077 0.000 1.168 488 G CA 0.921 46.105 45.100 0.139 0.000 0.771 488 G HN 0.659 nan 8.290 nan 0.000 0.551 489 A N 0.477 123.224 122.820 -0.122 0.000 1.902 489 A HA 0.070 4.434 4.320 0.073 0.000 0.217 489 A C 2.459 180.076 177.584 0.054 0.000 1.181 489 A CA 1.391 53.391 52.037 -0.061 0.000 0.623 489 A CB -0.405 18.507 19.000 -0.147 0.000 0.818 489 A HN 0.366 nan 8.150 nan 0.000 0.443 490 L N -0.711 120.537 121.223 0.041 0.000 2.056 490 L HA -0.144 4.239 4.340 0.073 0.000 0.207 490 L C 2.466 179.580 176.870 0.407 0.000 1.078 490 L CA 1.127 56.047 54.840 0.135 0.000 0.749 490 L CB -0.472 41.578 42.059 -0.014 0.000 0.901 490 L HN 0.379 nan 8.230 nan 0.000 0.433 491 I N -0.118 120.739 120.570 0.479 0.000 2.202 491 I HA -0.266 3.948 4.170 0.073 0.000 0.242 491 I C 2.813 179.284 176.117 0.589 0.000 1.091 491 I CA 1.182 62.903 61.300 0.703 0.000 1.368 491 I CB -0.529 37.810 38.000 0.565 0.000 1.058 491 I HN 0.177 nan 8.210 nan 0.000 0.410 492 A N 0.531 123.554 122.820 0.338 0.000 1.940 492 A HA -0.270 4.094 4.320 0.073 0.000 0.219 492 A C 2.420 179.983 177.584 -0.036 0.000 1.176 492 A CA 1.863 53.923 52.037 0.037 0.000 0.631 492 A CB -0.687 18.251 19.000 -0.104 0.000 0.814 492 A HN 0.463 nan 8.150 nan 0.000 0.446 493 M N -1.803 117.841 119.600 0.073 0.000 2.080 493 M HA -0.216 4.307 4.480 0.073 0.000 0.260 493 M C 2.020 178.247 176.300 -0.122 0.000 1.068 493 M CA 2.012 57.302 55.300 -0.017 0.000 1.109 493 M CB -0.283 32.276 32.600 -0.068 0.000 1.342 493 M HN 0.530 nan 8.290 nan 0.000 0.405 494 Y N 0.475 120.745 120.300 -0.049 0.000 2.242 494 Y HA -0.185 4.409 4.550 0.073 0.000 0.291 494 Y C 2.266 178.124 175.900 -0.069 0.000 1.137 494 Y CA 1.604 59.554 58.100 -0.251 0.000 1.181 494 Y CB -0.239 37.641 38.460 -0.967 0.000 0.989 494 Y HN 0.357 nan 8.280 nan 0.000 0.527 495 E N -0.697 119.662 120.200 0.267 0.000 2.058 495 E HA -0.246 4.148 4.350 0.073 0.000 0.194 495 E C 1.798 178.507 176.600 0.182 0.000 0.997 495 E CA 1.496 58.092 56.400 0.326 0.000 0.801 495 E CB -0.191 29.665 29.700 0.261 0.000 0.746 495 E HN 0.583 nan 8.360 nan 0.000 0.450 496 H N 0.359 119.454 119.070 0.041 0.000 2.428 496 H HA -0.004 4.596 4.556 0.073 0.000 0.296 496 H C 1.981 177.190 175.328 -0.198 0.000 1.062 496 H CA 0.900 56.780 56.048 -0.280 0.000 1.350 496 H CB -0.081 29.103 29.762 -0.965 0.000 1.403 496 H HN 0.103 nan 8.280 nan 0.000 0.533 497 K N 1.167 121.549 120.400 -0.029 0.000 2.009 497 K HA -0.136 4.227 4.320 0.073 0.000 0.210 497 K C 2.096 178.715 176.600 0.031 0.000 1.049 497 K CA 1.434 57.702 56.287 -0.032 0.000 0.929 497 K CB -0.200 32.258 32.500 -0.069 0.000 0.714 497 K HN 0.138 nan 8.250 nan 0.000 0.440 498 I N 0.604 121.242 120.570 0.114 0.000 2.208 498 I HA -0.268 3.946 4.170 0.073 0.000 0.245 498 I C 2.318 178.524 176.117 0.148 0.000 1.097 498 I CA 1.160 62.544 61.300 0.140 0.000 1.363 498 I CB -0.316 37.821 38.000 0.228 0.000 1.051 498 I HN 0.194 nan 8.210 nan 0.000 0.413 499 F N 1.206 121.237 119.950 0.134 0.000 2.069 499 F HA -0.230 4.339 4.527 0.070 0.000 0.298 499 F C 2.362 178.236 175.800 0.124 0.000 1.113 499 F CA 1.773 59.896 58.000 0.205 0.000 1.214 499 F CB -0.472 38.763 39.000 0.392 0.000 0.978 499 F HN -0.221 nan 8.300 nan 0.000 0.474 500 V N 0.658 120.626 119.914 0.090 0.000 2.343 500 V HA -0.336 3.827 4.120 0.073 0.000 0.247 500 V C 2.349 178.277 176.094 -0.277 0.000 1.051 500 V CA 2.319 64.584 62.300 -0.057 0.000 1.036 500 V CB -0.921 30.945 31.823 0.071 0.000 0.654 500 V HN 0.432 nan 8.190 nan 0.000 0.451 501 Q N 0.023 119.622 119.800 -0.334 0.000 2.084 501 Q HA -0.144 4.240 4.340 0.073 0.000 0.202 501 Q C 2.427 178.000 176.000 -0.712 0.000 0.978 501 Q CA 1.689 57.052 55.803 -0.732 0.000 0.844 501 Q CB -0.586 27.677 28.738 -0.793 0.000 0.898 501 Q HN 0.725 nan 8.270 nan 0.000 0.426 502 G N 1.325 109.952 108.800 -0.288 0.000 2.440 502 G HA2 -0.230 3.773 3.960 0.073 0.000 0.218 502 G HA3 -0.230 3.773 3.960 0.073 0.000 0.218 502 G C 1.394 176.229 174.900 -0.108 0.000 1.154 502 G CA 0.619 45.681 45.100 -0.063 0.000 0.767 502 G HN 0.163 nan 8.290 nan 0.000 0.552 503 I N 0.906 121.298 120.570 -0.298 0.000 2.226 503 I HA -0.095 4.118 4.170 0.073 0.000 0.245 503 I C 2.888 178.917 176.117 -0.146 0.000 1.100 503 I CA 1.054 62.216 61.300 -0.230 0.000 1.374 503 I CB -0.999 36.782 38.000 -0.365 0.000 1.057 503 I HN 0.249 nan 8.210 nan 0.000 0.413 504 M N -1.193 118.258 119.600 -0.249 0.000 2.159 504 M HA -0.210 4.313 4.480 0.073 0.000 0.263 504 M C 1.908 178.110 176.300 -0.163 0.000 1.063 504 M CA 1.590 56.737 55.300 -0.256 0.000 1.110 504 M CB -0.386 31.986 32.600 -0.380 0.000 1.374 504 M HN 0.266 nan 8.290 nan 0.000 0.411 505 W N 0.291 121.555 121.300 -0.059 0.000 2.937 505 W HA 0.008 4.711 4.660 0.071 0.000 0.245 505 W C 0.493 177.056 176.519 0.075 0.000 1.306 505 W CA 0.461 57.815 57.345 0.015 0.000 1.470 505 W CB -0.901 28.626 29.460 0.111 0.000 1.132 505 W HN 0.375 nan 8.180 nan 0.000 0.675 506 D N -0.028 120.500 120.400 0.213 0.000 2.981 506 D HA -0.205 4.479 4.640 0.073 0.000 0.223 506 D C 0.028 176.473 176.300 0.242 0.000 1.151 506 D CA 0.940 55.046 54.000 0.177 0.000 0.827 506 D CB -1.396 39.488 40.800 0.141 0.000 1.101 506 D HN 0.279 nan 8.370 nan 0.000 0.426 507 I N -3.985 116.743 120.570 0.264 0.000 2.947 507 I HA 0.529 4.743 4.170 0.073 0.000 0.314 507 I C 0.469 176.717 176.117 0.218 0.000 1.028 507 I CA -1.060 60.393 61.300 0.254 0.000 1.077 507 I CB 1.247 39.374 38.000 0.213 0.000 1.274 507 I HN -0.155 nan 8.210 nan 0.000 0.485 508 N N 1.885 120.659 118.700 0.124 0.000 2.437 508 N HA 0.217 5.001 4.740 0.073 0.000 0.243 508 N C 0.177 175.617 175.510 -0.117 0.000 1.041 508 N CA -0.013 52.994 53.050 -0.072 0.000 0.940 508 N CB 0.983 39.257 38.487 -0.354 0.000 1.133 508 N HN 0.650 nan 8.380 nan 0.000 0.506 509 S N 2.498 118.030 115.700 -0.280 0.000 2.555 509 S HA 0.067 4.580 4.470 0.073 0.000 0.230 509 S C 0.584 174.763 174.600 -0.701 0.000 0.978 509 S CA 0.520 58.369 58.200 -0.586 0.000 0.934 509 S CB -0.181 62.453 63.200 -0.943 0.000 0.766 509 S HN 0.619 nan 8.310 nan 0.000 0.533 510 F N 0.888 120.879 119.950 0.068 0.000 2.706 510 F HA 0.258 4.825 4.527 0.067 0.000 0.313 510 F C 0.613 176.392 175.800 -0.035 0.000 1.096 510 F CA -0.872 57.175 58.000 0.077 0.000 1.219 510 F CB 0.334 39.390 39.000 0.093 0.000 1.051 510 F HN 0.087 nan 8.300 nan 0.000 0.568 511 D N -0.163 120.208 120.400 -0.049 0.000 2.549 511 D HA 0.328 5.012 4.640 0.073 0.000 0.270 511 D C -0.145 175.963 176.300 -0.319 0.000 1.181 511 D CA -0.558 53.268 54.000 -0.290 0.000 1.070 511 D CB 0.527 41.047 40.800 -0.466 0.000 1.154 511 D HN 0.037 nan 8.370 nan 0.000 0.602 512 Q N -0.752 118.724 119.800 -0.540 0.000 3.976 512 Q HA 0.112 4.496 4.340 0.073 0.000 0.198 512 Q C -0.799 175.025 176.000 -0.293 0.000 0.817 512 Q CA -0.535 55.078 55.803 -0.316 0.000 0.819 512 Q CB -1.291 27.331 28.738 -0.192 0.000 1.556 512 Q HN 0.777 nan 8.270 nan 0.000 0.416 513 W N 1.037 122.317 121.300 -0.034 0.000 2.465 513 W HA 0.067 4.728 4.660 0.002 0.000 0.268 513 W C 1.957 178.451 176.519 -0.042 0.000 1.242 513 W CA 1.041 58.365 57.345 -0.034 0.000 1.248 513 W CB 0.197 29.631 29.460 -0.043 0.000 1.118 513 W HN 0.624 nan 8.180 nan 0.000 0.587 514 G N -0.121 108.746 108.800 0.112 0.000 2.403 514 G HA2 -0.194 3.809 3.960 0.073 0.000 0.216 514 G HA3 -0.194 3.809 3.960 0.073 0.000 0.216 514 G C 1.455 176.373 174.900 0.030 0.000 1.154 514 G CA 1.112 46.241 45.100 0.049 0.000 0.784 514 G HN 0.140 nan 8.290 nan 0.000 0.538 515 V N 0.773 120.686 119.914 -0.001 0.000 2.379 515 V HA -0.078 4.086 4.120 0.073 0.000 0.245 515 V C 2.771 178.870 176.094 0.009 0.000 1.044 515 V CA 1.762 64.052 62.300 -0.017 0.000 1.036 515 V CB -0.099 31.690 31.823 -0.057 0.000 0.664 515 V HN 0.332 nan 8.190 nan 0.000 0.453 516 E N -0.080 120.139 120.200 0.032 0.000 2.110 516 E HA -0.241 4.153 4.350 0.073 0.000 0.193 516 E C 2.106 178.771 176.600 0.108 0.000 0.988 516 E CA 1.170 57.622 56.400 0.087 0.000 0.804 516 E CB -0.432 29.380 29.700 0.186 0.000 0.745 516 E HN 0.521 nan 8.360 nan 0.000 0.458 517 L N 1.012 122.303 121.223 0.113 0.000 2.046 517 L HA -0.066 4.318 4.340 0.073 0.000 0.208 517 L C 2.288 179.190 176.870 0.053 0.000 1.077 517 L CA 2.140 57.030 54.840 0.084 0.000 0.747 517 L CB -0.770 41.333 42.059 0.074 0.000 0.896 517 L HN 0.141 nan 8.230 nan 0.000 0.432 518 G N -0.299 108.524 108.800 0.038 0.000 2.529 518 G HA2 -0.339 3.664 3.960 0.073 0.000 0.219 518 G HA3 -0.339 3.664 3.960 0.073 0.000 0.219 518 G C 1.535 176.448 174.900 0.022 0.000 1.177 518 G CA 1.083 46.197 45.100 0.022 0.000 0.773 518 G HN 0.460 nan 8.290 nan 0.000 0.573 519 K N 0.351 120.765 120.400 0.023 0.000 2.585 519 K HA -0.052 4.312 4.320 0.073 0.000 0.194 519 K C 2.127 178.745 176.600 0.030 0.000 1.037 519 K CA 0.922 57.221 56.287 0.021 0.000 0.964 519 K CB 0.063 32.575 32.500 0.020 0.000 0.787 519 K HN 0.548 nan 8.250 nan 0.000 0.488 520 Q N 0.430 120.252 119.800 0.037 0.000 2.217 520 Q HA 0.102 4.486 4.340 0.073 0.000 0.217 520 Q C 1.264 177.286 176.000 0.036 0.000 0.844 520 Q CA -0.000 55.826 55.803 0.039 0.000 0.957 520 Q CB 0.531 29.298 28.738 0.048 0.000 1.127 520 Q HN 0.298 nan 8.270 nan 0.000 0.503 521 L N -0.230 121.012 121.223 0.032 0.000 2.200 521 L HA 0.250 4.634 4.340 0.073 0.000 0.200 521 L C 2.239 179.128 176.870 0.032 0.000 1.072 521 L CA 0.958 55.818 54.840 0.032 0.000 0.787 521 L CB -0.265 41.809 42.059 0.025 0.000 0.957 521 L HN 0.202 nan 8.230 nan 0.000 0.459 522 A N -0.522 122.312 122.820 0.023 0.000 2.167 522 A HA -0.067 4.297 4.320 0.073 0.000 0.214 522 A C 2.030 179.631 177.584 0.028 0.000 1.151 522 A CA 0.666 52.714 52.037 0.019 0.000 0.735 522 A CB -0.149 18.857 19.000 0.010 0.000 0.802 522 A HN 0.115 nan 8.150 nan 0.000 0.467 523 K N 0.740 121.158 120.400 0.032 0.000 2.097 523 K HA -0.109 4.254 4.320 0.073 0.000 0.206 523 K C 1.598 178.223 176.600 0.042 0.000 1.049 523 K CA 1.541 57.848 56.287 0.032 0.000 0.933 523 K CB -0.295 32.223 32.500 0.030 0.000 0.717 523 K HN 0.541 nan 8.250 nan 0.000 0.442 524 K N 0.234 120.668 120.400 0.057 0.000 2.155 524 K HA 0.082 4.445 4.320 0.073 0.000 0.203 524 K C 2.153 178.816 176.600 0.105 0.000 1.052 524 K CA 0.660 56.993 56.287 0.077 0.000 0.948 524 K CB 0.023 32.579 32.500 0.094 0.000 0.728 524 K HN 0.038 nan 8.250 nan 0.000 0.448 525 I N 0.731 121.358 120.570 0.095 0.000 2.500 525 I HA -0.167 4.046 4.170 0.073 0.000 0.252 525 I C 2.001 178.148 176.117 0.051 0.000 1.142 525 I CA 0.769 62.116 61.300 0.079 0.000 1.451 525 I CB -0.051 37.949 38.000 -0.000 0.000 1.093 525 I HN 0.189 nan 8.210 nan 0.000 0.430 526 E N 1.366 121.589 120.200 0.038 0.000 2.048 526 E HA -0.239 4.154 4.350 0.073 0.000 0.202 526 E C -0.623 175.994 176.600 0.029 0.000 1.021 526 E CA 1.879 58.295 56.400 0.027 0.000 0.825 526 E CB -1.005 28.709 29.700 0.023 0.000 0.756 526 E HN 0.409 nan 8.360 nan 0.000 0.454 527 P HA -0.115 nan 4.420 nan 0.000 0.223 527 P C 0.413 177.732 177.300 0.033 0.000 1.151 527 P CA 1.202 64.320 63.100 0.029 0.000 0.787 527 P CB 0.005 31.721 31.700 0.027 0.000 0.788 528 E N -0.311 119.918 120.200 0.048 0.000 2.358 528 E HA 0.003 4.397 4.350 0.073 0.000 0.195 528 E C 1.957 178.583 176.600 0.043 0.000 1.010 528 E CA 0.368 56.802 56.400 0.056 0.000 0.856 528 E CB -0.345 29.415 29.700 0.101 0.000 0.795 528 E HN 0.310 nan 8.360 nan 0.000 0.504 529 L N 1.273 122.515 121.223 0.032 0.000 2.179 529 L HA -0.030 4.354 4.340 0.073 0.000 0.208 529 L C 0.844 177.723 176.870 0.016 0.000 1.096 529 L CA 0.440 55.293 54.840 0.022 0.000 0.779 529 L CB -0.265 41.804 42.059 0.017 0.000 0.922 529 L HN 0.070 nan 8.230 nan 0.000 0.443 530 E N 1.440 121.650 120.200 0.016 0.000 2.344 530 E HA 0.393 4.787 4.350 0.073 0.000 0.270 530 E C 0.418 177.025 176.600 0.011 0.000 1.021 530 E CA 0.385 56.792 56.400 0.011 0.000 0.887 530 E CB 0.631 30.338 29.700 0.011 0.000 0.997 530 E HN 0.226 nan 8.360 nan 0.000 0.429 531 G N 1.890 110.694 108.800 0.007 0.000 2.661 531 G HA2 -0.235 3.769 3.960 0.073 0.000 0.685 531 G HA3 -0.235 3.769 3.960 0.073 0.000 0.685 531 G C 0.333 175.235 174.900 0.004 0.000 1.298 531 G CA -0.186 44.917 45.100 0.005 0.000 0.855 531 G HN 0.614 nan 8.290 nan 0.000 0.560 532 S N -1.350 114.352 115.700 0.003 0.000 2.535 532 S HA 0.434 4.948 4.470 0.073 0.000 0.214 532 S C 1.338 175.941 174.600 0.005 0.000 0.980 532 S CA 0.993 59.193 58.200 0.000 0.000 0.907 532 S CB 0.027 63.225 63.200 -0.003 0.000 0.790 532 S HN 2.200 nan 8.310 nan 0.000 0.510 533 S N 1.887 117.592 115.700 0.009 0.000 2.572 533 S HA 0.634 5.148 4.470 0.073 0.000 0.279 533 S C 0.287 174.899 174.600 0.019 0.000 1.341 533 S CA -0.445 57.762 58.200 0.012 0.000 1.043 533 S CB 0.632 63.839 63.200 0.012 0.000 0.887 533 S HN 0.623 nan 8.310 nan 0.000 0.516 534 A N 2.778 125.610 122.820 0.020 0.000 2.440 534 A HA 0.524 4.888 4.320 0.073 0.000 0.251 534 A C -0.008 177.598 177.584 0.036 0.000 1.089 534 A CA -0.693 51.361 52.037 0.028 0.000 0.779 534 A CB 0.013 19.029 19.000 0.026 0.000 1.022 534 A HN 0.882 nan 8.150 nan 0.000 0.492 535 V N 2.775 122.720 119.914 0.052 0.000 2.407 535 V HA 0.426 4.590 4.120 0.073 0.000 0.278 535 V C 1.156 177.297 176.094 0.078 0.000 1.037 535 V CA 0.640 62.984 62.300 0.074 0.000 0.900 535 V CB 1.249 33.141 31.823 0.115 0.000 0.983 535 V HN 1.125 nan 8.190 nan 0.000 0.459 536 T N -1.565 113.022 114.554 0.055 0.000 3.170 536 T HA 0.019 4.413 4.350 0.073 0.000 0.288 536 T C 1.340 176.048 174.700 0.013 0.000 0.992 536 T CA 0.388 62.513 62.100 0.041 0.000 0.909 536 T CB 0.199 69.080 68.868 0.021 0.000 1.133 536 T HN 0.632 nan 8.240 nan 0.000 0.530 537 S N 0.487 116.173 115.700 -0.023 0.000 2.489 537 S HA 0.097 4.611 4.470 0.073 0.000 0.228 537 S C 0.758 175.190 174.600 -0.280 0.000 0.995 537 S CA -0.167 57.926 58.200 -0.178 0.000 0.934 537 S CB -0.515 62.514 63.200 -0.285 0.000 0.771 537 S HN 0.698 nan 8.310 nan 0.000 0.522 538 H N 1.747 120.823 119.070 0.009 0.000 2.915 538 H HA 0.326 4.924 4.556 0.070 0.000 0.298 538 H C -0.289 175.043 175.328 0.007 0.000 1.516 538 H CA -0.507 55.546 56.048 0.008 0.000 1.480 538 H CB 0.166 29.934 29.762 0.010 0.000 1.847 538 H HN 0.397 nan 8.280 nan 0.000 0.806 539 D N -0.231 120.265 120.400 0.159 0.000 2.362 539 D HA -0.088 4.596 4.640 0.073 0.000 0.238 539 D C 1.018 177.362 176.300 0.072 0.000 1.212 539 D CA 0.326 54.375 54.000 0.082 0.000 0.902 539 D CB 0.920 41.755 40.800 0.059 0.000 1.180 539 D HN 0.551 nan 8.370 nan 0.000 0.445 540 S N 0.412 116.138 115.700 0.043 0.000 2.419 540 S HA -0.223 4.291 4.470 0.073 0.000 0.233 540 S C 1.985 176.600 174.600 0.024 0.000 1.016 540 S CA 1.209 59.429 58.200 0.034 0.000 0.974 540 S CB -0.287 62.926 63.200 0.022 0.000 0.786 540 S HN 0.574 nan 8.310 nan 0.000 0.492 541 S N 1.560 117.267 115.700 0.013 0.000 2.338 541 S HA -0.117 4.396 4.470 0.073 0.000 0.218 541 S C 2.000 176.592 174.600 -0.013 0.000 1.032 541 S CA 1.884 60.080 58.200 -0.006 0.000 0.999 541 S CB -1.333 61.858 63.200 -0.015 0.000 0.905 541 S HN 0.682 nan 8.310 nan 0.000 0.439 542 T N 3.101 117.644 114.554 -0.019 0.000 2.665 542 T HA -0.110 4.284 4.350 0.073 0.000 0.268 542 T C 1.757 176.431 174.700 -0.044 0.000 1.035 542 T CA 1.682 63.736 62.100 -0.077 0.000 1.151 542 T CB -0.732 68.038 68.868 -0.164 0.000 0.862 542 T HN 0.433 nan 8.240 nan 0.000 0.438 543 N N 1.095 119.816 118.700 0.035 0.000 2.069 543 N HA -0.072 4.712 4.740 0.073 0.000 0.191 543 N C 2.200 177.739 175.510 0.049 0.000 1.031 543 N CA 1.507 54.597 53.050 0.067 0.000 0.852 543 N CB -1.022 37.515 38.487 0.084 0.000 1.018 543 N HN 0.514 nan 8.380 nan 0.000 0.423 544 G N 1.207 110.030 108.800 0.037 0.000 2.418 544 G HA2 -0.149 3.854 3.960 0.073 0.000 0.217 544 G HA3 -0.149 3.854 3.960 0.073 0.000 0.217 544 G C 1.715 176.653 174.900 0.064 0.000 1.158 544 G CA 0.406 45.533 45.100 0.044 0.000 0.771 544 G HN 0.232 nan 8.290 nan 0.000 0.545 545 L N 0.014 121.256 121.223 0.032 0.000 2.056 545 L HA 0.018 4.401 4.340 0.073 0.000 0.207 545 L C 2.819 179.750 176.870 0.102 0.000 1.078 545 L CA 0.624 55.494 54.840 0.050 0.000 0.749 545 L CB -0.321 41.734 42.059 -0.007 0.000 0.901 545 L HN 0.178 nan 8.230 nan 0.000 0.433 546 I N -0.860 119.742 120.570 0.053 0.000 2.226 546 I HA -0.273 3.941 4.170 0.073 0.000 0.245 546 I C 2.593 178.753 176.117 0.072 0.000 1.100 546 I CA 1.083 62.413 61.300 0.050 0.000 1.374 546 I CB -0.212 37.804 38.000 0.026 0.000 1.057 546 I HN 0.166 nan 8.210 nan 0.000 0.413 547 S N 0.559 116.309 115.700 0.084 0.000 2.368 547 S HA -0.201 4.312 4.470 0.073 0.000 0.225 547 S C 1.872 176.532 174.600 0.100 0.000 1.030 547 S CA 1.383 59.630 58.200 0.080 0.000 0.999 547 S CB -0.443 62.804 63.200 0.079 0.000 0.844 547 S HN 0.396 nan 8.310 nan 0.000 0.459 548 F N 2.035 121.983 119.950 -0.003 0.000 2.102 548 F HA -0.080 4.490 4.527 0.071 0.000 0.298 548 F C 1.849 177.647 175.800 -0.004 0.000 1.105 548 F CA 1.119 59.117 58.000 -0.003 0.000 1.239 548 F CB -0.374 38.622 39.000 -0.006 0.000 0.991 548 F HN 0.104 nan 8.300 nan 0.000 0.474 549 I N 0.344 120.973 120.570 0.098 0.000 2.163 549 I HA -0.348 3.865 4.170 0.073 0.000 0.243 549 I C 2.351 178.425 176.117 -0.072 0.000 1.085 549 I CA 1.634 62.935 61.300 0.002 0.000 1.347 549 I CB -0.491 37.541 38.000 0.055 0.000 1.044 549 I HN 0.073 nan 8.210 nan 0.000 0.408 550 K N 0.215 120.592 120.400 -0.039 0.000 2.097 550 K HA -0.253 4.110 4.320 0.073 0.000 0.206 550 K C 2.146 178.697 176.600 -0.082 0.000 1.049 550 K CA 1.541 57.801 56.287 -0.043 0.000 0.933 550 K CB -0.247 32.245 32.500 -0.013 0.000 0.717 550 K HN 0.444 nan 8.250 nan 0.000 0.442 551 Q N 0.574 120.301 119.800 -0.122 0.000 2.167 551 Q HA -0.159 4.224 4.340 0.073 0.000 0.202 551 Q C 1.630 177.501 176.000 -0.215 0.000 0.970 551 Q CA 1.183 56.896 55.803 -0.151 0.000 0.855 551 Q CB 0.279 28.929 28.738 -0.147 0.000 0.911 551 Q HN 0.182 nan 8.270 nan 0.000 0.438 552 Q N 0.199 119.802 119.800 -0.328 0.000 2.384 552 Q HA 0.018 4.402 4.340 0.073 0.000 0.207 552 Q C 1.747 177.634 176.000 -0.189 0.000 0.904 552 Q CA 0.646 56.242 55.803 -0.345 0.000 0.933 552 Q CB 0.399 28.752 28.738 -0.640 0.000 1.077 552 Q HN 0.574 nan 8.270 nan 0.000 0.522 553 R N 0.005 120.423 120.500 -0.137 0.000 2.280 553 R HA 0.010 4.393 4.340 0.073 0.000 0.207 553 R C 0.275 176.541 176.300 -0.057 0.000 1.043 553 R CA 1.084 57.136 56.100 -0.079 0.000 1.006 553 R CB 0.164 30.431 30.300 -0.054 0.000 0.885 553 R HN -0.041 nan 8.270 nan 0.000 0.467 554 D N 0.873 121.236 120.400 -0.062 0.000 2.398 554 D HA 0.045 4.729 4.640 0.073 0.000 0.210 554 D C -0.230 176.045 176.300 -0.042 0.000 1.094 554 D CA 0.211 54.185 54.000 -0.043 0.000 0.839 554 D CB 0.699 41.477 40.800 -0.037 0.000 0.963 554 D HN 0.106 nan 8.370 nan 0.000 0.506 555 T N 1.423 115.944 114.554 -0.056 0.000 2.916 555 T HA 0.060 4.454 4.350 0.073 0.000 0.303 555 T C 0.597 175.279 174.700 -0.031 0.000 1.025 555 T CA 0.106 62.177 62.100 -0.047 0.000 1.142 555 T CB 1.534 70.365 68.868 -0.062 0.000 0.947 555 T HN -0.168 nan 8.240 nan 0.000 0.544 556 K N 3.760 124.147 120.400 -0.022 0.000 2.273 556 K HA 0.460 4.824 4.320 0.073 0.000 0.287 556 K C -0.535 176.060 176.600 -0.009 0.000 1.089 556 K CA -0.166 56.113 56.287 -0.014 0.000 0.909 556 K CB 0.157 32.650 32.500 -0.010 0.000 1.123 556 K HN 0.484 nan 8.250 nan 0.000 0.473 557 L N 0.000 121.219 121.223 -0.007 0.000 2.949 557 L HA 0.000 4.384 4.340 0.073 0.000 0.249 557 L CA 0.000 54.839 54.840 -0.002 0.000 0.813 557 L CB 0.000 42.059 42.059 0.000 0.000 0.961 557 L HN 0.000 nan 8.230 nan 0.000 0.502