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 2f7l_1_B DATA FIRST_RESID 1 DATA SEQUENCE MGKLFGTDGV RGIVNKELTP ELVLKLSKAI GTFFGKNSKI LVGRDVRAGG DATA SEQUENCE DMLVKIVEGG LLSVGVEVYD GGMAPTPALQ YAVKTLGYDG GVVITASHNP DATA SEQUENCE APYNGIKVVD KDGIEIRREK ENEIEDLFFT ERFNTIEWSS LTTEVKREDR DATA SEQUENCE VISTYVNGIL SHVDIEKIKK KNYKVLIDPA NSVGALSTPL VARALGCKIY DATA SEQUENCE TINGNLDPLF SARQPEPTFD SLKETAEVVK TLKVDLGVAH DGDADRAIFI DATA SEQUENCE DSEGRVQWGD RSGTLLSYWA SVKNPKAIKK IVTAVSSSSL VEEYLSKYNI DATA SEQUENCE QVDWTKVGSV DIAHKVADEN ALAGFEENGG FMYPPHQYVR DGAMSFALML DATA SEQUENCE ELLANENVSS AELFDRLPKY YLVKTKVDLK PGLMVEEIYK KILEVYSTSS DATA SEQUENCE VKAITIDGVK IIGKDFWFLV RKSGTEPIIR IMAEAKDENV ANNLVNELKK DATA SEQUENCE IVEGK 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 0.000 176.326 176.300 0.043 0.000 1.140 1 M CA 0.000 55.310 55.300 0.017 0.000 0.988 1 M CB 0.000 32.613 32.600 0.022 0.000 1.302 2 G N 1.483 110.331 108.800 0.079 0.000 3.180 2 G HA2 0.227 4.187 3.960 -0.000 0.000 0.252 2 G HA3 0.227 4.187 3.960 -0.000 0.000 0.252 2 G C 0.172 175.100 174.900 0.048 0.000 0.871 2 G CA 0.721 45.883 45.100 0.103 0.000 1.979 2 G HN 0.324 nan 8.290 nan 0.000 0.624 3 K N -0.151 120.260 120.400 0.018 0.000 1.790 3 K HA 0.643 4.963 4.320 -0.000 0.000 0.263 3 K C -0.425 176.114 176.600 -0.101 0.000 0.838 3 K CA -0.699 55.578 56.287 -0.018 0.000 0.662 3 K CB 0.247 32.750 32.500 0.005 0.000 2.216 3 K HN 0.023 nan 8.250 nan 0.000 0.769 4 L N 0.058 121.200 121.223 -0.134 0.000 2.670 4 L HA 0.551 4.891 4.340 -0.000 0.000 0.251 4 L C -0.403 176.364 176.870 -0.173 0.000 1.548 4 L CA -0.609 54.042 54.840 -0.316 0.000 1.643 4 L CB 0.282 42.134 42.059 -0.345 0.000 2.174 4 L HN 0.509 nan 8.230 nan 0.000 0.585 5 F N 0.416 120.302 119.950 -0.106 0.000 2.572 5 F HA 0.404 4.931 4.527 -0.000 0.000 0.370 5 F C 1.030 176.809 175.800 -0.035 0.000 1.103 5 F CA 0.274 58.232 58.000 -0.070 0.000 1.286 5 F CB -0.089 38.862 39.000 -0.082 0.000 1.105 5 F HN 0.418 nan 8.300 nan 0.000 0.583 6 G N 1.078 109.996 108.800 0.197 0.000 3.291 6 G HA2 0.211 4.171 3.960 -0.000 0.000 0.173 6 G HA3 0.211 4.171 3.960 -0.000 0.000 0.173 6 G C 0.771 175.713 174.900 0.070 0.000 1.099 6 G CA -0.023 45.139 45.100 0.104 0.000 0.794 6 G HN 0.426 nan 8.290 nan 0.000 0.651 7 T N 0.741 115.333 114.554 0.063 0.000 2.684 7 T HA -0.055 4.295 4.350 -0.000 0.000 0.267 7 T C 1.328 176.052 174.700 0.040 0.000 1.036 7 T CA 1.968 64.099 62.100 0.052 0.000 1.148 7 T CB -0.125 68.783 68.868 0.068 0.000 0.863 7 T HN 0.355 nan 8.240 nan 0.000 0.436 8 D N -0.646 119.785 120.400 0.051 0.000 2.469 8 D HA 0.358 4.998 4.640 -0.000 0.000 0.240 8 D C 1.064 177.379 176.300 0.024 0.000 1.087 8 D CA 0.676 54.697 54.000 0.036 0.000 0.876 8 D CB 1.438 42.272 40.800 0.057 0.000 1.160 8 D HN 0.497 nan 8.370 nan 0.000 0.497 9 G N -0.015 108.833 108.800 0.081 0.000 2.398 9 G HA2 0.101 4.061 3.960 -0.000 0.000 0.251 9 G HA3 0.101 4.061 3.960 -0.000 0.000 0.251 9 G C -1.531 173.571 174.900 0.336 0.000 1.277 9 G CA -0.539 44.678 45.100 0.194 0.000 0.927 9 G HN -0.073 nan 8.290 nan 0.000 0.477 10 V N 1.987 122.131 119.914 0.384 0.000 2.389 10 V HA 0.578 4.698 4.120 -0.000 0.000 0.264 10 V C 0.666 176.798 176.094 0.064 0.000 1.049 10 V CA -0.051 62.307 62.300 0.097 0.000 0.932 10 V CB 0.007 31.763 31.823 -0.111 0.000 1.011 10 V HN 0.913 nan 8.190 nan 0.000 0.475 11 R N 3.383 123.914 120.500 0.050 0.000 2.912 11 R HA 0.992 5.332 4.340 -0.000 0.000 0.262 11 R C -0.165 176.214 176.300 0.131 0.000 1.057 11 R CA -0.753 55.396 56.100 0.082 0.000 0.981 11 R CB 2.465 32.792 30.300 0.046 0.000 1.201 11 R HN 0.820 nan 8.270 nan 0.000 0.484 12 G N 0.764 109.711 108.800 0.245 0.000 2.361 12 G HA2 0.218 4.178 3.960 -0.000 0.000 0.299 12 G HA3 0.218 4.178 3.960 -0.000 0.000 0.299 12 G C -1.017 173.895 174.900 0.020 0.000 1.544 12 G CA -1.183 44.051 45.100 0.224 0.000 0.860 12 G HN 0.535 nan 8.290 nan 0.000 0.610 13 I N 1.018 121.392 120.570 -0.326 0.000 2.742 13 I HA 0.033 4.203 4.170 -0.000 0.000 0.287 13 I C 1.267 177.287 176.117 -0.162 0.000 1.186 13 I CA 0.023 61.062 61.300 -0.436 0.000 1.417 13 I CB 0.923 38.672 38.000 -0.418 0.000 1.377 13 I HN 0.272 nan 8.210 nan 0.000 0.556 14 V N 8.169 128.023 119.914 -0.101 0.000 2.740 14 V HA -0.033 4.086 4.120 -0.000 0.000 0.303 14 V C 1.122 177.194 176.094 -0.037 0.000 1.054 14 V CA 0.659 62.937 62.300 -0.037 0.000 1.106 14 V CB 0.667 32.488 31.823 -0.004 0.000 0.957 14 V HN 1.083 nan 8.190 nan 0.000 0.486 15 N N 2.733 121.422 118.700 -0.018 0.000 2.828 15 N HA -0.203 4.537 4.740 -0.000 0.000 0.248 15 N C 0.697 176.196 175.510 -0.018 0.000 1.044 15 N CA 2.020 55.062 53.050 -0.012 0.000 0.851 15 N CB -0.761 37.720 38.487 -0.010 0.000 1.136 15 N HN 0.870 nan 8.380 nan 0.000 0.572 16 K N -0.856 119.526 120.400 -0.030 0.000 2.641 16 K HA 0.237 4.557 4.320 -0.000 0.000 0.222 16 K C 1.043 177.630 176.600 -0.023 0.000 1.474 16 K CA 0.242 56.510 56.287 -0.032 0.000 0.873 16 K CB 0.183 32.649 32.500 -0.057 0.000 1.817 16 K HN 0.169 nan 8.250 nan 0.000 0.419 17 E N 0.804 120.982 120.200 -0.037 0.000 2.022 17 E HA -0.030 4.319 4.350 -0.000 0.000 0.193 17 E C -0.053 176.546 176.600 -0.003 0.000 0.969 17 E CA 0.100 56.491 56.400 -0.015 0.000 0.834 17 E CB -0.019 29.671 29.700 -0.018 0.000 0.798 17 E HN -0.005 nan 8.360 nan 0.000 0.467 18 L N 2.863 124.082 121.223 -0.007 0.000 2.530 18 L HA 0.034 4.374 4.340 -0.000 0.000 0.273 18 L C -0.082 176.792 176.870 0.006 0.000 1.141 18 L CA 0.638 55.480 54.840 0.004 0.000 0.905 18 L CB -0.063 42.004 42.059 0.013 0.000 1.202 18 L HN 0.156 nan 8.230 nan 0.000 0.473 19 T N 2.129 116.693 114.554 0.017 0.000 2.930 19 T HA 0.578 4.928 4.350 -0.000 0.000 0.290 19 T C -2.058 172.658 174.700 0.027 0.000 1.052 19 T CA -1.846 60.266 62.100 0.020 0.000 1.017 19 T CB 1.595 70.478 68.868 0.025 0.000 1.137 19 T HN 0.256 nan 8.240 nan 0.000 0.511 20 P HA -0.116 nan 4.420 nan 0.000 0.213 20 P C 1.157 178.477 177.300 0.033 0.000 1.170 20 P CA 1.299 64.414 63.100 0.025 0.000 0.902 20 P CB -0.009 31.702 31.700 0.020 0.000 0.789 21 E N -0.622 119.600 120.200 0.036 0.000 2.160 21 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 21 E C 2.028 178.670 176.600 0.069 0.000 0.991 21 E CA 0.748 57.174 56.400 0.044 0.000 0.810 21 E CB -1.247 28.477 29.700 0.040 0.000 0.742 21 E HN 0.225 nan 8.360 nan 0.000 0.466 22 L N 0.065 121.337 121.223 0.082 0.000 2.044 22 L HA -0.133 4.207 4.340 -0.000 0.000 0.205 22 L C 1.987 178.937 176.870 0.133 0.000 1.075 22 L CA 0.925 55.847 54.840 0.136 0.000 0.747 22 L CB -0.033 42.082 42.059 0.093 0.000 0.903 22 L HN 0.068 nan 8.230 nan 0.000 0.435 23 V N -0.017 119.938 119.914 0.069 0.000 2.358 23 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 23 V C 2.423 178.547 176.094 0.050 0.000 1.047 23 V CA 1.525 63.856 62.300 0.051 0.000 1.035 23 V CB -0.609 31.234 31.823 0.034 0.000 0.658 23 V HN 0.425 nan 8.190 nan 0.000 0.452 24 L N 0.752 121.999 121.223 0.040 0.000 1.971 24 L HA -0.239 4.101 4.340 -0.000 0.000 0.215 24 L C 2.458 179.320 176.870 -0.014 0.000 1.072 24 L CA 2.514 57.361 54.840 0.011 0.000 0.758 24 L CB -0.893 41.174 42.059 0.013 0.000 0.889 24 L HN 0.297 nan 8.230 nan 0.000 0.433 25 K N -0.762 119.658 120.400 0.033 0.000 2.009 25 K HA -0.222 4.098 4.320 -0.000 0.000 0.210 25 K C 2.293 178.936 176.600 0.071 0.000 1.049 25 K CA 2.071 58.370 56.287 0.020 0.000 0.929 25 K CB -0.477 32.030 32.500 0.012 0.000 0.714 25 K HN 0.447 nan 8.250 nan 0.000 0.440 26 L N 0.808 122.181 121.223 0.250 0.000 2.081 26 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 26 L C 2.202 179.108 176.870 0.060 0.000 1.080 26 L CA 1.538 56.498 54.840 0.200 0.000 0.754 26 L CB -0.308 41.773 42.059 0.036 0.000 0.893 26 L HN 0.317 nan 8.230 nan 0.000 0.433 27 S N -0.170 115.535 115.700 0.009 0.000 2.353 27 S HA -0.207 4.263 4.470 -0.000 0.000 0.222 27 S C 1.780 176.321 174.600 -0.099 0.000 1.035 27 S CA 1.453 59.647 58.200 -0.011 0.000 1.025 27 S CB -0.104 63.087 63.200 -0.015 0.000 0.902 27 S HN 0.437 nan 8.310 nan 0.000 0.440 28 K N 1.366 121.580 120.400 -0.311 0.000 2.147 28 K HA -0.012 4.308 4.320 -0.000 0.000 0.205 28 K C 2.349 178.588 176.600 -0.603 0.000 1.049 28 K CA 1.147 57.068 56.287 -0.610 0.000 0.936 28 K CB -0.328 31.444 32.500 -1.213 0.000 0.722 28 K HN 0.354 nan 8.250 nan 0.000 0.446 29 A N 1.944 124.508 122.820 -0.427 0.000 1.873 29 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 29 A C 2.186 179.850 177.584 0.132 0.000 1.186 29 A CA 1.128 53.204 52.037 0.064 0.000 0.616 29 A CB -0.543 18.613 19.000 0.259 0.000 0.823 29 A HN 0.150 nan 8.150 nan 0.000 0.442 30 I N -0.303 120.339 120.570 0.121 0.000 2.179 30 I HA -0.197 3.973 4.170 -0.000 0.000 0.242 30 I C 2.715 179.004 176.117 0.286 0.000 1.088 30 I CA 1.194 62.626 61.300 0.221 0.000 1.357 30 I CB -0.820 37.333 38.000 0.256 0.000 1.051 30 I HN 0.399 nan 8.210 nan 0.000 0.409 31 G N 0.483 109.400 108.800 0.195 0.000 2.421 31 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 31 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 31 G C 1.658 176.664 174.900 0.177 0.000 1.171 31 G CA 1.367 46.586 45.100 0.198 0.000 0.775 31 G HN 0.285 nan 8.290 nan 0.000 0.543 32 T N 1.021 115.660 114.554 0.141 0.000 2.720 32 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 32 T C 1.917 176.734 174.700 0.195 0.000 1.037 32 T CA 1.238 63.443 62.100 0.176 0.000 1.144 32 T CB -0.293 68.730 68.868 0.259 0.000 0.864 32 T HN 0.257 nan 8.240 nan 0.000 0.444 33 F N 1.566 121.533 119.950 0.028 0.000 2.095 33 F HA -0.048 4.479 4.527 -0.000 0.000 0.298 33 F C 1.654 177.400 175.800 -0.090 0.000 1.104 33 F CA 0.852 58.806 58.000 -0.077 0.000 1.232 33 F CB -0.796 38.072 39.000 -0.220 0.000 0.987 33 F HN 0.095 nan 8.300 nan 0.000 0.475 34 F N 0.997 120.794 119.950 -0.255 0.000 2.293 34 F HA 0.261 4.788 4.527 -0.000 0.000 0.300 34 F C 1.470 177.142 175.800 -0.212 0.000 1.086 34 F CA 1.102 58.876 58.000 -0.377 0.000 1.375 34 F CB -0.933 37.965 39.000 -0.170 0.000 1.045 34 F HN 0.199 nan 8.300 nan 0.000 0.516 35 G N 0.409 109.254 108.800 0.074 0.000 2.770 35 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.686 35 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.686 35 G C -0.793 174.144 174.900 0.062 0.000 1.180 35 G CA -1.261 43.868 45.100 0.049 0.000 0.767 35 G HN 0.130 nan 8.290 nan 0.000 0.646 36 K N 1.023 121.452 120.400 0.048 0.000 2.448 36 K HA 0.350 4.669 4.320 -0.000 0.000 0.278 36 K C 1.211 177.828 176.600 0.028 0.000 1.009 36 K CA 0.698 57.009 56.287 0.040 0.000 0.995 36 K CB 0.150 32.669 32.500 0.030 0.000 0.917 36 K HN 0.776 nan 8.250 nan 0.000 0.481 37 N N -0.495 118.222 118.700 0.028 0.000 2.925 37 N HA -0.200 4.540 4.740 -0.000 0.000 0.244 37 N C -0.920 174.600 175.510 0.016 0.000 1.000 37 N CA 0.499 53.562 53.050 0.021 0.000 0.895 37 N CB -0.883 37.610 38.487 0.009 0.000 1.119 37 N HN 0.690 nan 8.380 nan 0.000 0.569 38 S N 0.292 116.003 115.700 0.018 0.000 2.592 38 S HA 0.455 4.925 4.470 -0.000 0.000 0.271 38 S C 0.093 174.683 174.600 -0.017 0.000 1.326 38 S CA -0.416 57.776 58.200 -0.015 0.000 1.024 38 S CB 1.837 65.029 63.200 -0.013 0.000 0.921 38 S HN 0.100 nan 8.310 nan 0.000 0.527 39 K N 1.760 122.128 120.400 -0.054 0.000 2.268 39 K HA 0.471 4.791 4.320 -0.000 0.000 0.276 39 K C -0.918 175.681 176.600 -0.001 0.000 1.080 39 K CA -0.135 56.142 56.287 -0.017 0.000 0.910 39 K CB 0.482 32.876 32.500 -0.178 0.000 1.163 39 K HN 0.482 nan 8.250 nan 0.000 0.465 40 I N 3.783 124.365 120.570 0.020 0.000 2.433 40 I HA 0.290 4.460 4.170 -0.000 0.000 0.292 40 I C -0.455 175.592 176.117 -0.117 0.000 1.001 40 I CA -0.862 60.360 61.300 -0.130 0.000 1.119 40 I CB 1.492 39.371 38.000 -0.201 0.000 1.289 40 I HN 0.541 nan 8.210 nan 0.000 0.438 41 L N 7.102 128.077 121.223 -0.413 0.000 2.265 41 L HA 0.481 4.821 4.340 -0.000 0.000 0.288 41 L C -0.780 175.936 176.870 -0.258 0.000 1.058 41 L CA -0.448 54.070 54.840 -0.537 0.000 0.809 41 L CB 1.259 42.647 42.059 -1.119 0.000 1.179 41 L HN 0.271 nan 8.230 nan 0.000 0.429 42 V N 4.917 124.755 119.914 -0.127 0.000 2.427 42 V HA 0.789 4.909 4.120 -0.000 0.000 0.286 42 V C 0.594 176.650 176.094 -0.063 0.000 1.034 42 V CA -0.216 62.044 62.300 -0.067 0.000 0.893 42 V CB 1.280 33.091 31.823 -0.019 0.000 0.982 42 V HN 0.940 nan 8.190 nan 0.000 0.452 43 G N 4.163 112.932 108.800 -0.051 0.000 2.727 43 G HA2 0.877 4.837 3.960 -0.000 0.000 0.289 43 G HA3 0.877 4.837 3.960 -0.000 0.000 0.289 43 G C -1.234 173.654 174.900 -0.020 0.000 1.418 43 G CA -0.887 44.188 45.100 -0.042 0.000 0.818 43 G HN 0.872 nan 8.290 nan 0.000 0.486 44 R N -0.955 119.537 120.500 -0.014 0.000 2.728 44 R HA 0.605 4.945 4.340 -0.000 0.000 0.274 44 R C -1.499 174.804 176.300 0.006 0.000 1.030 44 R CA -0.707 55.395 56.100 0.003 0.000 0.876 44 R CB 1.122 31.429 30.300 0.012 0.000 1.259 44 R HN 0.603 nan 8.270 nan 0.000 0.468 45 D N 0.161 120.576 120.400 0.025 0.000 2.541 45 D HA 0.137 4.777 4.640 -0.000 0.000 0.276 45 D C 0.680 177.006 176.300 0.044 0.000 1.190 45 D CA -0.657 53.366 54.000 0.038 0.000 1.095 45 D CB 0.152 40.990 40.800 0.064 0.000 1.173 45 D HN 0.194 nan 8.370 nan 0.000 0.604 46 V N -0.938 119.014 119.914 0.063 0.000 2.871 46 V HA 0.048 4.167 4.120 -0.000 0.000 0.256 46 V C 0.746 176.864 176.094 0.041 0.000 1.082 46 V CA 0.553 62.867 62.300 0.025 0.000 1.105 46 V CB -0.734 31.068 31.823 -0.036 0.000 0.713 46 V HN 0.368 nan 8.190 nan 0.000 0.473 47 R N -0.128 120.448 120.500 0.127 0.000 2.545 47 R HA -0.115 4.225 4.340 -0.000 0.000 0.269 47 R C 1.714 178.066 176.300 0.087 0.000 0.970 47 R CA 0.408 56.603 56.100 0.159 0.000 1.096 47 R CB 0.003 30.405 30.300 0.171 0.000 0.889 47 R HN 0.453 nan 8.270 nan 0.000 0.422 48 A N 2.588 125.464 122.820 0.094 0.000 2.104 48 A HA -0.171 4.149 4.320 -0.000 0.000 0.223 48 A C 1.648 179.253 177.584 0.035 0.000 1.164 48 A CA 2.051 54.120 52.037 0.053 0.000 0.659 48 A CB -0.341 18.695 19.000 0.059 0.000 0.808 48 A HN 0.871 nan 8.150 nan 0.000 0.465 49 G N -1.995 106.829 108.800 0.041 0.000 3.774 49 G HA2 0.387 4.347 3.960 -0.000 0.000 0.287 49 G HA3 0.387 4.347 3.960 -0.000 0.000 0.287 49 G C 1.024 175.940 174.900 0.027 0.000 1.030 49 G CA 0.887 46.003 45.100 0.027 0.000 0.824 49 G HN 0.576 nan 8.290 nan 0.000 0.518 50 G N 1.529 110.347 108.800 0.029 0.000 2.545 50 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 50 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 50 G C 1.234 176.144 174.900 0.016 0.000 1.218 50 G CA 1.516 46.631 45.100 0.025 0.000 0.787 50 G HN 0.352 nan 8.290 nan 0.000 0.571 51 D N -0.317 120.090 120.400 0.011 0.000 2.104 51 D HA -0.109 4.531 4.640 -0.000 0.000 0.194 51 D C 2.308 178.613 176.300 0.009 0.000 0.994 51 D CA 0.870 54.874 54.000 0.007 0.000 0.830 51 D CB -0.254 40.548 40.800 0.004 0.000 0.959 51 D HN 0.177 nan 8.370 nan 0.000 0.452 52 M N 0.121 119.727 119.600 0.010 0.000 2.108 52 M HA -0.146 4.334 4.480 -0.000 0.000 0.261 52 M C 1.809 178.117 176.300 0.013 0.000 1.066 52 M CA 1.378 56.684 55.300 0.011 0.000 1.107 52 M CB -0.202 32.404 32.600 0.010 0.000 1.356 52 M HN 0.085 nan 8.290 nan 0.000 0.406 53 L N -0.734 120.499 121.223 0.017 0.000 2.093 53 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 53 L C 2.376 179.258 176.870 0.019 0.000 1.085 53 L CA 0.606 55.458 54.840 0.020 0.000 0.755 53 L CB -0.732 41.343 42.059 0.026 0.000 0.904 53 L HN 0.123 nan 8.230 nan 0.000 0.435 54 V N -0.213 119.710 119.914 0.016 0.000 2.490 54 V HA -0.245 3.875 4.120 -0.000 0.000 0.250 54 V C 2.608 178.708 176.094 0.010 0.000 1.061 54 V CA 1.438 63.745 62.300 0.013 0.000 1.064 54 V CB -0.512 31.316 31.823 0.008 0.000 0.670 54 V HN 0.371 nan 8.190 nan 0.000 0.461 55 K N -0.001 120.404 120.400 0.009 0.000 2.002 55 K HA -0.062 4.258 4.320 -0.000 0.000 0.209 55 K C 2.059 178.664 176.600 0.009 0.000 1.048 55 K CA 1.346 57.638 56.287 0.007 0.000 0.930 55 K CB -0.633 31.871 32.500 0.007 0.000 0.714 55 K HN 0.323 nan 8.250 nan 0.000 0.438 56 I N 1.091 121.669 120.570 0.012 0.000 2.226 56 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 56 I C 2.449 178.573 176.117 0.013 0.000 1.100 56 I CA 0.960 62.267 61.300 0.013 0.000 1.374 56 I CB -1.284 36.725 38.000 0.016 0.000 1.057 56 I HN -0.170 nan 8.210 nan 0.000 0.413 57 V N 0.931 120.856 119.914 0.018 0.000 2.332 57 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 57 V C 2.502 178.607 176.094 0.019 0.000 1.055 57 V CA 1.773 64.087 62.300 0.023 0.000 1.038 57 V CB -0.668 31.174 31.823 0.031 0.000 0.651 57 V HN 0.408 nan 8.190 nan 0.000 0.450 58 E N 0.056 120.265 120.200 0.014 0.000 2.072 58 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 58 E C 2.333 178.937 176.600 0.008 0.000 0.985 58 E CA 1.171 57.578 56.400 0.011 0.000 0.801 58 E CB -0.521 29.182 29.700 0.004 0.000 0.750 58 E HN 0.633 nan 8.360 nan 0.000 0.452 59 G N 0.517 109.320 108.800 0.006 0.000 2.421 59 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.216 59 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.216 59 G C 1.579 176.478 174.900 -0.000 0.000 1.171 59 G CA 0.785 45.888 45.100 0.005 0.000 0.775 59 G HN 0.401 nan 8.290 nan 0.000 0.543 60 G N 0.958 109.753 108.800 -0.008 0.000 2.446 60 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.217 60 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.217 60 G C 1.800 176.682 174.900 -0.029 0.000 1.168 60 G CA 0.814 45.895 45.100 -0.032 0.000 0.771 60 G HN 0.423 nan 8.290 nan 0.000 0.551 61 L N -0.063 121.160 121.223 -0.001 0.000 2.275 61 L HA 0.070 4.409 4.340 -0.000 0.000 0.215 61 L C 2.744 179.626 176.870 0.019 0.000 1.119 61 L CA 0.245 55.096 54.840 0.018 0.000 0.790 61 L CB -0.216 41.868 42.059 0.041 0.000 0.919 61 L HN 0.189 nan 8.230 nan 0.000 0.443 62 L N -0.850 120.380 121.223 0.013 0.000 2.179 62 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 62 L C 2.791 179.671 176.870 0.015 0.000 1.096 62 L CA 1.144 55.992 54.840 0.015 0.000 0.779 62 L CB -0.456 41.610 42.059 0.011 0.000 0.922 62 L HN 0.360 nan 8.230 nan 0.000 0.443 63 S N -0.013 115.693 115.700 0.010 0.000 2.442 63 S HA -0.100 4.370 4.470 -0.000 0.000 0.236 63 S C 1.372 175.984 174.600 0.021 0.000 1.007 63 S CA 0.934 59.145 58.200 0.017 0.000 0.965 63 S CB -0.559 62.646 63.200 0.008 0.000 0.773 63 S HN 0.324 nan 8.310 nan 0.000 0.504 64 V N -2.465 117.456 119.914 0.011 0.000 3.043 64 V HA 0.768 4.888 4.120 -0.000 0.000 0.357 64 V C 1.154 177.272 176.094 0.040 0.000 1.372 64 V CA -0.241 62.077 62.300 0.029 0.000 1.214 64 V CB -0.884 30.946 31.823 0.012 0.000 1.224 64 V HN 0.670 nan 8.190 nan 0.000 0.507 65 G N 0.317 109.135 108.800 0.030 0.000 2.153 65 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.252 65 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.252 65 G C 0.117 175.038 174.900 0.035 0.000 0.994 65 G CA 0.262 45.378 45.100 0.027 0.000 0.698 65 G HN 0.920 nan 8.290 nan 0.000 0.521 66 V N 0.254 120.194 119.914 0.044 0.000 2.686 66 V HA 0.339 4.458 4.120 -0.000 0.000 0.295 66 V C 0.920 177.051 176.094 0.062 0.000 1.055 66 V CA -0.164 62.169 62.300 0.055 0.000 1.050 66 V CB 1.834 33.696 31.823 0.064 0.000 0.984 66 V HN 0.399 nan 8.190 nan 0.000 0.482 67 E N 3.306 123.560 120.200 0.090 0.000 1.963 67 E HA 0.300 4.649 4.350 -0.000 0.000 0.274 67 E C -0.912 175.835 176.600 0.245 0.000 1.061 67 E CA -0.425 56.061 56.400 0.143 0.000 0.847 67 E CB 0.961 30.777 29.700 0.194 0.000 1.083 67 E HN 0.558 nan 8.360 nan 0.000 0.402 68 V N 5.001 124.998 119.914 0.140 0.000 2.614 68 V HA 0.096 4.216 4.120 -0.000 0.000 0.291 68 V C -0.527 175.646 176.094 0.132 0.000 1.049 68 V CA 0.007 62.395 62.300 0.147 0.000 1.038 68 V CB 0.141 31.989 31.823 0.042 0.000 0.980 68 V HN 0.507 nan 8.190 nan 0.000 0.481 69 Y N 1.576 121.885 120.300 0.016 0.000 2.373 69 Y HA 0.406 4.956 4.550 -0.000 0.000 0.336 69 Y C -0.060 175.819 175.900 -0.036 0.000 0.979 69 Y CA -1.239 56.879 58.100 0.030 0.000 1.080 69 Y CB 1.679 40.226 38.460 0.144 0.000 1.190 69 Y HN 0.612 nan 8.280 nan 0.000 0.446 70 D N 1.807 122.251 120.400 0.073 0.000 2.274 70 D HA 0.320 4.960 4.640 -0.000 0.000 0.239 70 D C 0.545 176.866 176.300 0.035 0.000 1.104 70 D CA -0.023 53.994 54.000 0.028 0.000 0.840 70 D CB 1.786 42.588 40.800 0.003 0.000 1.100 70 D HN 0.888 nan 8.370 nan 0.000 0.477 71 G N 2.167 110.966 108.800 -0.001 0.000 3.453 71 G HA2 0.448 4.408 3.960 -0.000 0.000 0.263 71 G HA3 0.448 4.408 3.960 -0.000 0.000 0.263 71 G C 0.860 175.758 174.900 -0.002 0.000 1.060 71 G CA 0.307 45.406 45.100 -0.002 0.000 0.793 71 G HN 0.875 nan 8.290 nan 0.000 0.532 72 G N 0.676 109.475 108.800 -0.002 0.000 2.601 72 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.261 72 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.261 72 G C 0.216 175.112 174.900 -0.007 0.000 1.289 72 G CA -0.010 45.089 45.100 -0.001 0.000 0.920 72 G HN 0.409 nan 8.290 nan 0.000 0.571 73 M N 1.113 120.711 119.600 -0.003 0.000 2.180 73 M HA 0.557 5.037 4.480 -0.000 0.000 0.358 73 M C 0.498 176.793 176.300 -0.009 0.000 1.233 73 M CA 0.623 55.921 55.300 -0.005 0.000 1.114 73 M CB 1.125 33.725 32.600 -0.000 0.000 1.594 73 M HN 1.671 nan 8.290 nan 0.000 0.467 74 A N 4.736 127.543 122.820 -0.023 0.000 2.567 74 A HA 0.757 5.077 4.320 -0.000 0.000 0.291 74 A C -3.067 174.472 177.584 -0.074 0.000 1.048 74 A CA -1.265 50.745 52.037 -0.044 0.000 0.661 74 A CB 0.973 19.935 19.000 -0.062 0.000 1.288 74 A HN 0.452 nan 8.150 nan 0.000 0.424 75 P HA 0.275 nan 4.420 nan 0.000 0.270 75 P C 0.844 178.037 177.300 -0.179 0.000 1.223 75 P CA 0.223 63.236 63.100 -0.144 0.000 0.785 75 P CB 0.599 32.189 31.700 -0.183 0.000 0.923 76 T N 2.559 117.041 114.554 -0.120 0.000 2.708 76 T HA -0.079 4.271 4.350 -0.000 0.000 0.266 76 T C -0.938 173.682 174.700 -0.133 0.000 1.037 76 T CA 2.132 64.175 62.100 -0.096 0.000 1.146 76 T CB -1.737 67.104 68.868 -0.045 0.000 0.865 76 T HN 0.519 nan 8.240 nan 0.000 0.435 77 P HA -0.016 nan 4.420 nan 0.000 0.218 77 P C 1.354 178.452 177.300 -0.337 0.000 1.148 77 P CA 1.116 64.143 63.100 -0.122 0.000 0.822 77 P CB -0.155 31.558 31.700 0.021 0.000 0.784 78 A N -0.496 121.874 122.820 -0.750 0.000 1.855 78 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 78 A C 1.989 179.443 177.584 -0.216 0.000 1.191 78 A CA 1.385 52.939 52.037 -0.806 0.000 0.613 78 A CB -1.599 16.941 19.000 -0.768 0.000 0.829 78 A HN 0.035 nan 8.150 nan 0.000 0.442 79 L N 0.153 121.271 121.223 -0.175 0.000 2.079 79 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 79 L C 2.633 179.457 176.870 -0.078 0.000 1.081 79 L CA 1.844 56.617 54.840 -0.112 0.000 0.752 79 L CB -1.625 40.368 42.059 -0.109 0.000 0.896 79 L HN 0.524 nan 8.230 nan 0.000 0.433 80 Q N -1.991 117.777 119.800 -0.053 0.000 2.046 80 Q HA -0.241 4.099 4.340 -0.000 0.000 0.200 80 Q C 2.198 178.219 176.000 0.034 0.000 0.975 80 Q CA 1.484 57.280 55.803 -0.011 0.000 0.836 80 Q CB -0.327 28.413 28.738 0.003 0.000 0.896 80 Q HN 0.406 nan 8.270 nan 0.000 0.428 81 Y N 1.122 121.392 120.300 -0.050 0.000 2.256 81 Y HA -0.251 4.299 4.550 -0.000 0.000 0.288 81 Y C 2.066 177.986 175.900 0.032 0.000 1.155 81 Y CA 1.011 59.113 58.100 0.004 0.000 1.203 81 Y CB -0.344 38.197 38.460 0.136 0.000 0.980 81 Y HN 0.112 nan 8.280 nan 0.000 0.530 82 A N -0.281 122.572 122.820 0.055 0.000 1.832 82 A HA -0.182 4.138 4.320 -0.000 0.000 0.214 82 A C 2.404 180.010 177.584 0.037 0.000 1.200 82 A CA 2.325 54.379 52.037 0.028 0.000 0.610 82 A CB -1.671 17.336 19.000 0.011 0.000 0.842 82 A HN 0.536 nan 8.150 nan 0.000 0.444 83 V N 0.276 120.186 119.914 -0.006 0.000 2.469 83 V HA -0.269 3.851 4.120 -0.000 0.000 0.251 83 V C 2.180 178.288 176.094 0.023 0.000 1.064 83 V CA 2.953 65.295 62.300 0.070 0.000 1.066 83 V CB -0.763 31.026 31.823 -0.056 0.000 0.667 83 V HN 0.664 nan 8.190 nan 0.000 0.461 84 K N 0.830 121.193 120.400 -0.062 0.000 2.001 84 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 84 K C 2.211 178.708 176.600 -0.170 0.000 1.048 84 K CA 2.190 58.410 56.287 -0.112 0.000 0.932 84 K CB -0.443 31.967 32.500 -0.149 0.000 0.715 84 K HN 0.717 nan 8.250 nan 0.000 0.437 85 T N -1.523 112.859 114.554 -0.288 0.000 3.057 85 T HA 0.061 4.411 4.350 -0.000 0.000 0.254 85 T C 1.322 175.926 174.700 -0.159 0.000 1.094 85 T CA -0.012 61.919 62.100 -0.281 0.000 1.088 85 T CB 0.215 68.781 68.868 -0.504 0.000 0.934 85 T HN 0.053 nan 8.240 nan 0.000 0.497 86 L N 1.712 122.879 121.223 -0.093 0.000 2.653 86 L HA 0.522 4.862 4.340 -0.000 0.000 0.232 86 L C 1.752 178.470 176.870 -0.252 0.000 1.169 86 L CA 0.341 55.125 54.840 -0.092 0.000 0.951 86 L CB -0.626 41.469 42.059 0.061 0.000 1.181 86 L HN 0.603 nan 8.230 nan 0.000 0.460 87 G N -1.815 106.865 108.800 -0.199 0.000 2.153 87 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.252 87 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.252 87 G C 0.218 174.916 174.900 -0.336 0.000 0.994 87 G CA 0.077 45.025 45.100 -0.253 0.000 0.698 87 G HN 0.284 nan 8.290 nan 0.000 0.521 88 Y N 0.236 120.418 120.300 -0.197 0.000 2.314 88 Y HA 0.333 4.883 4.550 -0.000 0.000 0.334 88 Y C 1.579 177.352 175.900 -0.212 0.000 1.266 88 Y CA 0.024 57.981 58.100 -0.239 0.000 1.391 88 Y CB 0.634 38.946 38.460 -0.247 0.000 1.306 88 Y HN 0.058 nan 8.280 nan 0.000 0.558 89 D N 0.460 120.816 120.400 -0.073 0.000 2.348 89 D HA 0.196 4.836 4.640 -0.000 0.000 0.211 89 D C 0.700 176.830 176.300 -0.284 0.000 0.998 89 D CA 0.995 54.903 54.000 -0.152 0.000 0.873 89 D CB 0.505 41.199 40.800 -0.176 0.000 0.925 89 D HN 0.747 nan 8.370 nan 0.000 0.524 90 G N -1.293 107.292 108.800 -0.358 0.000 2.324 90 G HA2 0.448 4.408 3.960 -0.000 0.000 0.293 90 G HA3 0.448 4.408 3.960 -0.000 0.000 0.293 90 G C -1.069 173.586 174.900 -0.408 0.000 1.297 90 G CA -0.233 44.583 45.100 -0.474 0.000 0.853 90 G HN 0.272 nan 8.290 nan 0.000 0.535 91 G N -2.209 106.434 108.800 -0.261 0.000 2.646 91 G HA2 0.769 4.729 3.960 -0.000 0.000 0.291 91 G HA3 0.769 4.729 3.960 -0.000 0.000 0.291 91 G C -1.616 173.271 174.900 -0.020 0.000 1.445 91 G CA 0.265 45.255 45.100 -0.184 0.000 0.814 91 G HN 1.987 nan 8.290 nan 0.000 0.495 92 V N 0.358 120.264 119.914 -0.014 0.000 2.569 92 V HA 0.721 4.840 4.120 -0.000 0.000 0.301 92 V C -1.029 175.076 176.094 0.017 0.000 1.044 92 V CA -0.622 61.710 62.300 0.053 0.000 0.874 92 V CB 1.367 33.254 31.823 0.107 0.000 1.002 92 V HN 0.757 nan 8.190 nan 0.000 0.424 93 V N 7.773 127.700 119.914 0.023 0.000 2.439 93 V HA 0.498 4.618 4.120 -0.000 0.000 0.282 93 V C 0.025 176.138 176.094 0.032 0.000 1.039 93 V CA -0.468 61.838 62.300 0.011 0.000 0.913 93 V CB 1.478 33.301 31.823 0.001 0.000 0.983 93 V HN 0.789 nan 8.190 nan 0.000 0.460 94 I N 4.827 125.414 120.570 0.028 0.000 2.308 94 I HA 0.551 4.721 4.170 -0.000 0.000 0.293 94 I C 0.369 176.512 176.117 0.042 0.000 1.078 94 I CA 1.028 62.352 61.300 0.040 0.000 1.292 94 I CB 0.941 38.962 38.000 0.034 0.000 1.423 94 I HN 0.840 nan 8.210 nan 0.000 0.493 95 T N 4.021 118.605 114.554 0.050 0.000 2.733 95 T HA 0.756 5.106 4.350 -0.000 0.000 0.312 95 T C -1.532 173.196 174.700 0.047 0.000 1.590 95 T CA -0.209 61.921 62.100 0.050 0.000 1.005 95 T CB 1.174 70.064 68.868 0.037 0.000 1.528 95 T HN 0.473 nan 8.240 nan 0.000 0.496 96 A N 1.986 124.825 122.820 0.032 0.000 3.234 96 A HA 0.663 4.982 4.320 -0.000 0.000 0.247 96 A C 1.280 178.826 177.584 -0.064 0.000 0.938 96 A CA 0.873 52.903 52.037 -0.011 0.000 1.039 96 A CB -0.348 18.657 19.000 0.009 0.000 1.197 96 A HN 1.364 nan 8.150 nan 0.000 0.498 97 S N 0.900 116.597 115.700 -0.006 0.000 2.287 97 S HA -0.406 4.064 4.470 -0.000 0.000 0.522 97 S C 1.854 176.470 174.600 0.026 0.000 0.946 97 S CA 2.983 61.203 58.200 0.033 0.000 3.250 97 S CB -0.717 62.545 63.200 0.104 0.000 2.279 97 S HN 1.245 nan 8.310 nan 0.000 0.548 98 H N 0.185 119.220 119.070 -0.057 0.000 2.885 98 H HA 0.390 4.946 4.556 -0.000 0.000 0.260 98 H C 0.573 175.824 175.328 -0.129 0.000 0.985 98 H CA 0.201 56.199 56.048 -0.083 0.000 1.210 98 H CB -0.831 28.902 29.762 -0.047 0.000 1.466 98 H HN 0.408 nan 8.280 nan 0.000 0.493 99 N N 3.519 121.775 118.700 -0.740 0.000 2.265 99 N HA 0.012 4.752 4.740 -0.000 0.000 0.231 99 N C -2.357 172.997 175.510 -0.261 0.000 1.266 99 N CA -0.374 52.329 53.050 -0.578 0.000 0.862 99 N CB 0.008 38.075 38.487 -0.700 0.000 1.100 99 N HN 0.244 nan 8.380 nan 0.000 0.439 100 P HA 0.007 nan 4.420 nan 0.000 0.272 100 P C 0.108 177.448 177.300 0.066 0.000 1.254 100 P CA -0.132 62.964 63.100 -0.008 0.000 0.795 100 P CB 0.337 32.106 31.700 0.114 0.000 1.022 101 A N 2.617 125.470 122.820 0.054 0.000 1.903 101 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 101 A C -0.261 177.425 177.584 0.169 0.000 1.191 101 A CA 2.272 54.429 52.037 0.200 0.000 0.638 101 A CB -2.695 16.488 19.000 0.305 0.000 0.823 101 A HN 0.576 nan 8.150 nan 0.000 0.451 102 P HA -0.109 nan 4.420 nan 0.000 0.225 102 P C -0.181 177.054 177.300 -0.109 0.000 1.148 102 P CA 0.814 63.892 63.100 -0.037 0.000 0.779 102 P CB -0.184 31.433 31.700 -0.139 0.000 0.780 103 Y N 0.384 120.686 120.300 0.002 0.000 2.301 103 Y HA 0.384 4.933 4.550 -0.000 0.000 0.325 103 Y C 1.183 177.083 175.900 0.001 0.000 1.203 103 Y CA -0.034 58.058 58.100 -0.013 0.000 1.255 103 Y CB 0.700 39.128 38.460 -0.053 0.000 1.232 103 Y HN -0.095 nan 8.280 nan 0.000 0.501 104 N N -0.444 118.359 118.700 0.172 0.000 2.853 104 N HA 0.753 5.493 4.740 -0.000 0.000 0.258 104 N C -0.926 174.642 175.510 0.097 0.000 1.444 104 N CA -0.560 52.556 53.050 0.110 0.000 0.837 104 N CB 2.129 40.663 38.487 0.078 0.000 1.489 104 N HN 0.805 nan 8.380 nan 0.000 0.529 105 G N 0.015 108.859 108.800 0.074 0.000 2.664 105 G HA2 0.496 4.456 3.960 -0.000 0.000 0.303 105 G HA3 0.496 4.456 3.960 -0.000 0.000 0.303 105 G C -2.005 172.939 174.900 0.073 0.000 1.243 105 G CA -0.356 44.786 45.100 0.071 0.000 0.826 105 G HN 0.374 nan 8.290 nan 0.000 0.498 106 I N 1.063 121.693 120.570 0.099 0.000 2.531 106 I HA 0.369 4.539 4.170 -0.000 0.000 0.283 106 I C -0.683 175.531 176.117 0.161 0.000 1.083 106 I CA -0.633 60.741 61.300 0.124 0.000 1.071 106 I CB 1.386 39.469 38.000 0.137 0.000 1.210 106 I HN 0.356 nan 8.210 nan 0.000 0.450 107 K N 4.708 125.165 120.400 0.095 0.000 2.138 107 K HA 0.733 5.053 4.320 -0.000 0.000 0.263 107 K C -0.479 176.153 176.600 0.053 0.000 0.965 107 K CA -0.676 55.640 56.287 0.049 0.000 0.868 107 K CB 2.855 35.368 32.500 0.023 0.000 1.083 107 K HN 0.444 nan 8.250 nan 0.000 0.443 108 V N 0.554 120.471 119.914 0.006 0.000 2.448 108 V HA 0.595 4.715 4.120 -0.000 0.000 0.295 108 V C -0.180 175.976 176.094 0.103 0.000 1.025 108 V CA -1.029 61.330 62.300 0.097 0.000 0.859 108 V CB 1.115 33.006 31.823 0.113 0.000 0.988 108 V HN 0.537 nan 8.190 nan 0.000 0.431 109 V N 0.764 120.778 119.914 0.168 0.000 2.815 109 V HA 0.750 4.870 4.120 -0.000 0.000 0.314 109 V C -0.636 175.616 176.094 0.263 0.000 1.064 109 V CA -0.248 62.139 62.300 0.145 0.000 0.952 109 V CB 1.928 33.784 31.823 0.056 0.000 1.020 109 V HN 0.953 nan 8.190 nan 0.000 0.439 110 D N 1.722 122.261 120.400 0.231 0.000 2.487 110 D HA 0.396 5.036 4.640 -0.000 0.000 0.262 110 D C 1.029 177.415 176.300 0.143 0.000 1.130 110 D CA -0.548 53.620 54.000 0.280 0.000 1.038 110 D CB 2.047 43.001 40.800 0.256 0.000 1.142 110 D HN 0.677 nan 8.370 nan 0.000 0.575 111 K N -0.100 120.376 120.400 0.126 0.000 2.015 111 K HA -0.230 4.090 4.320 -0.000 0.000 0.220 111 K C 1.351 177.975 176.600 0.040 0.000 1.055 111 K CA 2.181 58.499 56.287 0.053 0.000 0.951 111 K CB -0.335 32.193 32.500 0.046 0.000 0.725 111 K HN 0.494 nan 8.250 nan 0.000 0.449 112 D N -0.868 119.569 120.400 0.062 0.000 2.315 112 D HA -0.143 4.497 4.640 -0.000 0.000 0.211 112 D C 1.244 177.564 176.300 0.032 0.000 0.977 112 D CA 1.456 55.487 54.000 0.052 0.000 0.894 112 D CB -0.434 40.415 40.800 0.082 0.000 0.910 112 D HN 0.536 nan 8.370 nan 0.000 0.490 113 G N -0.221 108.599 108.800 0.033 0.000 2.176 113 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.232 113 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.232 113 G C 0.240 175.150 174.900 0.017 0.000 0.986 113 G CA 0.139 45.247 45.100 0.014 0.000 0.643 113 G HN 0.454 nan 8.290 nan 0.000 0.522 114 I N 0.801 121.380 120.570 0.014 0.000 2.664 114 I HA 0.490 4.660 4.170 -0.000 0.000 0.308 114 I C 0.703 176.846 176.117 0.043 0.000 0.984 114 I CA -1.128 60.150 61.300 -0.036 0.000 1.213 114 I CB 0.938 38.783 38.000 -0.257 0.000 1.379 114 I HN 0.019 nan 8.210 nan 0.000 0.501 115 E N 3.097 123.315 120.200 0.030 0.000 2.418 115 E HA 0.143 4.493 4.350 -0.000 0.000 0.261 115 E C -0.339 176.327 176.600 0.110 0.000 1.070 115 E CA -0.227 56.201 56.400 0.046 0.000 0.931 115 E CB 0.385 30.088 29.700 0.005 0.000 0.954 115 E HN 0.399 nan 8.360 nan 0.000 0.439 116 I N -1.170 119.426 120.570 0.044 0.000 2.634 116 I HA 0.196 4.366 4.170 -0.000 0.000 0.284 116 I C 0.098 176.191 176.117 -0.041 0.000 1.124 116 I CA -0.630 60.688 61.300 0.030 0.000 1.417 116 I CB 0.589 38.570 38.000 -0.033 0.000 1.396 116 I HN 0.221 nan 8.210 nan 0.000 0.571 117 R N 4.294 124.751 120.500 -0.072 0.000 2.623 117 R HA 0.135 4.475 4.340 -0.000 0.000 0.271 117 R C 1.115 177.341 176.300 -0.124 0.000 1.043 117 R CA -0.591 55.426 56.100 -0.138 0.000 1.083 117 R CB 0.389 30.545 30.300 -0.239 0.000 0.974 117 R HN 0.616 nan 8.270 nan 0.000 0.436 118 R N 2.629 123.070 120.500 -0.098 0.000 2.165 118 R HA -0.266 4.074 4.340 -0.000 0.000 0.254 118 R C 1.463 177.715 176.300 -0.081 0.000 1.153 118 R CA 1.972 58.024 56.100 -0.079 0.000 0.971 118 R CB -0.502 29.773 30.300 -0.042 0.000 0.878 118 R HN 0.678 nan 8.270 nan 0.000 0.449 119 E N 0.924 121.075 120.200 -0.083 0.000 2.012 119 E HA -0.154 4.196 4.350 -0.000 0.000 0.197 119 E C 1.984 178.519 176.600 -0.108 0.000 1.007 119 E CA 1.540 57.896 56.400 -0.073 0.000 0.816 119 E CB -0.280 29.381 29.700 -0.064 0.000 0.762 119 E HN 0.360 nan 8.360 nan 0.000 0.451 120 K N 0.718 121.034 120.400 -0.140 0.000 2.152 120 K HA -0.168 4.151 4.320 -0.000 0.000 0.206 120 K C 2.115 178.468 176.600 -0.412 0.000 1.048 120 K CA 1.284 57.412 56.287 -0.266 0.000 0.933 120 K CB -0.187 32.220 32.500 -0.155 0.000 0.721 120 K HN 0.230 nan 8.250 nan 0.000 0.447 121 E N 0.973 121.005 120.200 -0.279 0.000 2.097 121 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 121 E C 1.693 178.265 176.600 -0.046 0.000 1.000 121 E CA 1.398 57.663 56.400 -0.225 0.000 0.804 121 E CB -0.280 29.302 29.700 -0.197 0.000 0.740 121 E HN 0.450 nan 8.360 nan 0.000 0.454 122 N N 0.615 119.281 118.700 -0.057 0.000 2.166 122 N HA -0.163 4.577 4.740 -0.000 0.000 0.186 122 N C 1.683 177.174 175.510 -0.032 0.000 1.019 122 N CA 0.990 54.038 53.050 -0.004 0.000 0.856 122 N CB -0.029 38.459 38.487 0.002 0.000 0.993 122 N HN 0.253 nan 8.380 nan 0.000 0.426 123 E N 0.997 121.121 120.200 -0.126 0.000 2.110 123 E HA -0.151 4.198 4.350 -0.000 0.000 0.193 123 E C 1.842 178.372 176.600 -0.118 0.000 0.988 123 E CA 0.802 57.134 56.400 -0.114 0.000 0.804 123 E CB -0.182 29.416 29.700 -0.170 0.000 0.745 123 E HN 0.460 nan 8.360 nan 0.000 0.458 124 I N 1.624 122.049 120.570 -0.241 0.000 2.315 124 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 124 I C 2.292 178.411 176.117 0.004 0.000 1.117 124 I CA 1.200 62.429 61.300 -0.118 0.000 1.404 124 I CB -0.203 37.724 38.000 -0.121 0.000 1.071 124 I HN 0.083 nan 8.210 nan 0.000 0.419 125 E N 0.423 120.613 120.200 -0.018 0.000 2.072 125 E HA -0.268 4.082 4.350 -0.000 0.000 0.191 125 E C 1.617 178.238 176.600 0.035 0.000 0.985 125 E CA 1.541 57.876 56.400 -0.109 0.000 0.801 125 E CB -0.171 29.506 29.700 -0.040 0.000 0.750 125 E HN 0.427 nan 8.360 nan 0.000 0.452 126 D N 0.814 121.304 120.400 0.149 0.000 2.117 126 D HA -0.119 4.520 4.640 -0.000 0.000 0.197 126 D C 1.933 178.348 176.300 0.191 0.000 0.987 126 D CA 0.800 54.944 54.000 0.239 0.000 0.829 126 D CB 0.019 40.906 40.800 0.144 0.000 0.961 126 D HN 0.049 nan 8.370 nan 0.000 0.460 127 L N -0.525 120.784 121.223 0.144 0.000 2.141 127 L HA -0.086 4.254 4.340 -0.000 0.000 0.209 127 L C 2.155 179.160 176.870 0.224 0.000 1.094 127 L CA 0.593 55.537 54.840 0.174 0.000 0.763 127 L CB -0.474 41.728 42.059 0.238 0.000 0.908 127 L HN 0.133 nan 8.230 nan 0.000 0.437 128 F N -0.044 119.911 119.950 0.009 0.000 2.216 128 F HA -0.241 4.286 4.527 -0.000 0.000 0.300 128 F C 1.922 177.644 175.800 -0.130 0.000 1.085 128 F CA 1.431 59.388 58.000 -0.071 0.000 1.326 128 F CB -0.022 38.738 39.000 -0.401 0.000 1.027 128 F HN -0.112 nan 8.300 nan 0.000 0.497 129 F N 0.347 120.363 119.950 0.109 0.000 2.164 129 F HA -0.022 4.505 4.527 -0.000 0.000 0.287 129 F C 2.939 178.663 175.800 -0.127 0.000 1.086 129 F CA 1.616 59.603 58.000 -0.021 0.000 1.249 129 F CB -1.527 37.521 39.000 0.081 0.000 1.059 129 F HN -0.022 nan 8.300 nan 0.000 0.490 130 T N -1.836 112.782 114.554 0.106 0.000 2.929 130 T HA -0.156 4.194 4.350 -0.000 0.000 0.271 130 T C 0.770 175.337 174.700 -0.221 0.000 1.085 130 T CA 1.155 63.235 62.100 -0.035 0.000 1.125 130 T CB -0.677 68.185 68.868 -0.010 0.000 0.874 130 T HN 0.468 nan 8.240 nan 0.000 0.494 131 E N 0.379 120.324 120.200 -0.425 0.000 2.586 131 E HA -0.183 4.167 4.350 -0.000 0.000 0.259 131 E C -0.386 175.596 176.600 -1.031 0.000 1.107 131 E CA 0.147 55.882 56.400 -1.108 0.000 0.754 131 E CB -1.311 27.914 29.700 -0.792 0.000 1.335 131 E HN 0.664 nan 8.360 nan 0.000 0.411 132 R N 0.962 121.162 120.500 -0.501 0.000 3.710 132 R HA 0.134 4.474 4.340 -0.000 0.000 0.201 132 R C -0.291 176.000 176.300 -0.016 0.000 1.641 132 R CA 0.080 56.059 56.100 -0.202 0.000 1.390 132 R CB -0.227 30.040 30.300 -0.054 0.000 1.341 132 R HN -0.046 nan 8.270 nan 0.000 0.728 133 F N 0.700 120.666 119.950 0.027 0.000 2.427 133 F HA 0.117 4.643 4.527 -0.000 0.000 0.352 133 F C 1.498 177.321 175.800 0.039 0.000 1.100 133 F CA -1.494 56.528 58.000 0.036 0.000 1.191 133 F CB 0.396 39.413 39.000 0.027 0.000 1.128 133 F HN 0.161 nan 8.300 nan 0.000 0.533 134 N N 1.627 120.482 118.700 0.259 0.000 2.678 134 N HA -0.086 4.653 4.740 -0.000 0.000 0.223 134 N C 0.022 175.605 175.510 0.121 0.000 1.455 134 N CA 0.270 53.409 53.050 0.148 0.000 0.907 134 N CB -0.488 38.069 38.487 0.115 0.000 1.239 134 N HN 0.523 nan 8.380 nan 0.000 0.497 135 T N 1.451 116.097 114.554 0.153 0.000 2.891 135 T HA 0.035 4.385 4.350 -0.000 0.000 0.296 135 T C 1.054 175.800 174.700 0.078 0.000 1.025 135 T CA 0.290 62.459 62.100 0.116 0.000 1.149 135 T CB 0.253 69.204 68.868 0.137 0.000 1.007 135 T HN 0.243 nan 8.240 nan 0.000 0.528 136 I N -0.164 120.440 120.570 0.057 0.000 3.076 136 I HA 0.623 4.793 4.170 -0.000 0.000 0.313 136 I C 0.197 176.330 176.117 0.027 0.000 1.053 136 I CA -1.363 59.955 61.300 0.030 0.000 1.048 136 I CB 1.007 39.011 38.000 0.007 0.000 1.264 136 I HN 0.234 nan 8.210 nan 0.000 0.498 137 E N 3.385 123.570 120.200 -0.025 0.000 2.415 137 E HA -0.067 4.283 4.350 -0.000 0.000 0.263 137 E C 0.761 177.277 176.600 -0.138 0.000 0.995 137 E CA -0.019 56.332 56.400 -0.083 0.000 0.915 137 E CB 0.577 30.154 29.700 -0.206 0.000 0.951 137 E HN 0.849 nan 8.360 nan 0.000 0.449 138 W N 3.806 125.117 121.300 0.017 0.000 2.290 138 W HA -0.313 4.347 4.660 -0.000 0.000 0.311 138 W C 1.267 177.793 176.519 0.012 0.000 1.238 138 W CA 1.692 59.045 57.345 0.014 0.000 1.255 138 W CB -1.377 28.090 29.460 0.012 0.000 1.145 138 W HN 0.464 nan 8.180 nan 0.000 0.506 139 S N 1.083 115.825 115.700 -1.596 0.000 2.469 139 S HA -0.154 4.316 4.470 -0.000 0.000 0.238 139 S C 1.640 175.886 174.600 -0.589 0.000 0.998 139 S CA 1.380 58.667 58.200 -1.522 0.000 0.957 139 S CB -0.933 61.220 63.200 -1.746 0.000 0.764 139 S HN 0.384 nan 8.310 nan 0.000 0.514 140 S N -0.231 115.246 115.700 -0.373 0.000 2.578 140 S HA 0.387 4.857 4.470 -0.000 0.000 0.231 140 S C 0.303 174.842 174.600 -0.101 0.000 0.994 140 S CA -0.550 57.534 58.200 -0.194 0.000 0.956 140 S CB -0.163 62.946 63.200 -0.151 0.000 0.870 140 S HN 0.292 nan 8.310 nan 0.000 0.494 141 L N 4.337 125.515 121.223 -0.075 0.000 2.583 141 L HA 0.382 4.722 4.340 -0.000 0.000 0.239 141 L C 0.680 177.553 176.870 0.005 0.000 1.347 141 L CA 0.392 55.228 54.840 -0.006 0.000 1.246 141 L CB -0.596 41.491 42.059 0.046 0.000 1.496 141 L HN 0.497 nan 8.230 nan 0.000 0.413 142 T N -3.633 110.912 114.554 -0.016 0.000 3.448 142 T HA 0.330 4.680 4.350 -0.000 0.000 0.271 142 T C 0.372 175.066 174.700 -0.011 0.000 1.002 142 T CA -0.402 61.694 62.100 -0.006 0.000 0.995 142 T CB -0.136 68.721 68.868 -0.018 0.000 1.153 142 T HN 0.198 nan 8.240 nan 0.000 0.510 143 T N 2.170 116.718 114.554 -0.010 0.000 2.841 143 T HA 0.432 4.782 4.350 -0.000 0.000 0.283 143 T C -0.456 174.228 174.700 -0.027 0.000 1.000 143 T CA -0.701 61.387 62.100 -0.020 0.000 0.977 143 T CB 1.955 70.813 68.868 -0.017 0.000 0.979 143 T HN 0.287 nan 8.240 nan 0.000 0.446 144 E N 1.493 121.666 120.200 -0.044 0.000 2.277 144 E HA 0.347 4.696 4.350 -0.000 0.000 0.274 144 E C -0.030 176.514 176.600 -0.093 0.000 1.022 144 E CA -0.567 55.800 56.400 -0.056 0.000 0.853 144 E CB 2.144 31.809 29.700 -0.057 0.000 1.086 144 E HN 0.456 nan 8.360 nan 0.000 0.397 145 V N 1.757 121.618 119.914 -0.088 0.000 2.614 145 V HA 0.210 4.330 4.120 -0.000 0.000 0.291 145 V C -0.256 175.725 176.094 -0.188 0.000 1.049 145 V CA -0.185 62.040 62.300 -0.125 0.000 1.038 145 V CB 0.517 32.299 31.823 -0.068 0.000 0.980 145 V HN 0.517 nan 8.190 nan 0.000 0.481 146 K N 4.780 124.964 120.400 -0.360 0.000 2.106 146 K HA 0.601 4.921 4.320 -0.000 0.000 0.246 146 K C -0.513 175.952 176.600 -0.225 0.000 0.987 146 K CA -0.798 55.257 56.287 -0.386 0.000 0.904 146 K CB 1.602 33.652 32.500 -0.749 0.000 1.071 146 K HN 0.718 nan 8.250 nan 0.000 0.453 147 R N 1.091 121.532 120.500 -0.098 0.000 2.428 147 R HA 0.169 4.509 4.340 -0.000 0.000 0.294 147 R C -0.655 175.706 176.300 0.101 0.000 1.000 147 R CA -0.604 55.499 56.100 0.005 0.000 0.960 147 R CB 1.122 31.426 30.300 0.006 0.000 1.076 147 R HN 0.460 nan 8.270 nan 0.000 0.475 148 E N 1.500 121.788 120.200 0.147 0.000 2.235 148 E HA 0.165 4.514 4.350 -0.000 0.000 0.252 148 E C -1.091 175.579 176.600 0.117 0.000 0.886 148 E CA -0.402 56.119 56.400 0.201 0.000 0.767 148 E CB 0.978 30.853 29.700 0.291 0.000 1.205 148 E HN 0.391 nan 8.360 nan 0.000 0.421 149 D N 4.068 124.529 120.400 0.101 0.000 2.463 149 D HA 0.185 4.825 4.640 -0.000 0.000 0.224 149 D C 0.501 176.848 176.300 0.079 0.000 1.174 149 D CA 0.106 54.150 54.000 0.074 0.000 0.829 149 D CB 0.399 41.233 40.800 0.058 0.000 0.993 149 D HN 0.426 nan 8.370 nan 0.000 0.497 150 R N -0.222 120.336 120.500 0.098 0.000 2.404 150 R HA 0.095 4.435 4.340 -0.000 0.000 0.237 150 R C 2.021 178.394 176.300 0.123 0.000 0.907 150 R CA -0.034 56.128 56.100 0.103 0.000 1.063 150 R CB 0.556 30.919 30.300 0.104 0.000 1.134 150 R HN -0.013 nan 8.270 nan 0.000 0.529 151 V N 1.655 121.635 119.914 0.110 0.000 2.250 151 V HA -0.293 3.827 4.120 -0.000 0.000 0.250 151 V C 1.801 177.983 176.094 0.148 0.000 1.060 151 V CA 1.894 64.259 62.300 0.108 0.000 1.030 151 V CB -0.152 31.696 31.823 0.041 0.000 0.643 151 V HN 0.206 nan 8.190 nan 0.000 0.445 152 I N 1.246 121.894 120.570 0.129 0.000 2.233 152 I HA -0.132 4.038 4.170 -0.000 0.000 0.243 152 I C 2.881 179.122 176.117 0.207 0.000 1.093 152 I CA 1.929 63.336 61.300 0.180 0.000 1.380 152 I CB -1.575 36.500 38.000 0.125 0.000 1.067 152 I HN 0.613 nan 8.210 nan 0.000 0.413 153 S N 0.506 116.292 115.700 0.144 0.000 2.370 153 S HA -0.181 4.289 4.470 -0.000 0.000 0.226 153 S C 1.989 176.675 174.600 0.144 0.000 1.033 153 S CA 1.939 60.209 58.200 0.117 0.000 1.011 153 S CB -1.169 62.083 63.200 0.086 0.000 0.852 153 S HN 0.411 nan 8.310 nan 0.000 0.457 154 T N 1.023 115.695 114.554 0.196 0.000 2.708 154 T HA -0.075 4.274 4.350 -0.000 0.000 0.266 154 T C 1.504 176.426 174.700 0.371 0.000 1.037 154 T CA 1.523 63.782 62.100 0.266 0.000 1.146 154 T CB -0.622 68.414 68.868 0.280 0.000 0.865 154 T HN 0.535 nan 8.240 nan 0.000 0.435 155 Y N 2.238 122.663 120.300 0.207 0.000 2.114 155 Y HA -0.161 4.388 4.550 -0.000 0.000 0.284 155 Y C 2.317 178.194 175.900 -0.039 0.000 1.143 155 Y CA 0.728 58.873 58.100 0.076 0.000 1.135 155 Y CB -0.863 37.653 38.460 0.092 0.000 0.980 155 Y HN -0.021 nan 8.280 nan 0.000 0.499 156 V N 1.158 121.048 119.914 -0.040 0.000 2.255 156 V HA -0.382 3.738 4.120 -0.000 0.000 0.247 156 V C 1.979 177.979 176.094 -0.156 0.000 1.051 156 V CA 2.457 64.647 62.300 -0.182 0.000 1.018 156 V CB -1.002 30.799 31.823 -0.037 0.000 0.641 156 V HN 0.484 nan 8.190 nan 0.000 0.445 157 N N 0.264 118.938 118.700 -0.044 0.000 2.205 157 N HA -0.137 4.603 4.740 -0.000 0.000 0.186 157 N C 1.887 177.347 175.510 -0.083 0.000 1.015 157 N CA 1.055 54.081 53.050 -0.039 0.000 0.862 157 N CB -0.359 38.142 38.487 0.024 0.000 0.986 157 N HN 0.564 nan 8.380 nan 0.000 0.429 158 G N 1.638 110.389 108.800 -0.081 0.000 2.453 158 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.215 158 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.215 158 G C 1.453 176.148 174.900 -0.343 0.000 1.201 158 G CA 0.535 45.558 45.100 -0.130 0.000 0.784 158 G HN 0.162 nan 8.290 nan 0.000 0.545 159 I N 0.653 120.901 120.570 -0.538 0.000 2.118 159 I HA -0.217 3.953 4.170 -0.000 0.000 0.241 159 I C 2.745 178.672 176.117 -0.317 0.000 1.070 159 I CA 0.977 61.933 61.300 -0.574 0.000 1.327 159 I CB -0.305 37.345 38.000 -0.582 0.000 1.034 159 I HN 0.112 nan 8.210 nan 0.000 0.405 160 L N 0.531 121.609 121.223 -0.241 0.000 2.261 160 L HA -0.205 4.135 4.340 -0.000 0.000 0.216 160 L C 2.591 179.361 176.870 -0.167 0.000 1.114 160 L CA 1.471 56.218 54.840 -0.155 0.000 0.777 160 L CB -0.714 41.281 42.059 -0.107 0.000 0.910 160 L HN 0.421 nan 8.230 nan 0.000 0.440 161 S N -1.810 113.732 115.700 -0.263 0.000 2.547 161 S HA -0.156 4.314 4.470 -0.000 0.000 0.235 161 S C 1.247 175.610 174.600 -0.395 0.000 0.980 161 S CA 0.653 58.660 58.200 -0.321 0.000 0.941 161 S CB -0.491 62.480 63.200 -0.380 0.000 0.763 161 S HN 0.599 nan 8.310 nan 0.000 0.532 162 H N -0.040 119.014 119.070 -0.027 0.000 2.755 162 H HA 0.448 5.004 4.556 -0.000 0.000 0.273 162 H C 0.289 175.609 175.328 -0.015 0.000 1.055 162 H CA -0.003 56.054 56.048 0.016 0.000 1.191 162 H CB 1.107 30.927 29.762 0.097 0.000 1.536 162 H HN 0.448 nan 8.280 nan 0.000 0.529 163 V N -2.478 117.461 119.914 0.041 0.000 3.074 163 V HA 0.271 4.391 4.120 -0.000 0.000 0.314 163 V C -0.210 175.897 176.094 0.021 0.000 1.117 163 V CA -1.292 61.028 62.300 0.034 0.000 1.014 163 V CB 2.455 34.271 31.823 -0.011 0.000 1.057 163 V HN -0.030 nan 8.190 nan 0.000 0.438 164 D N 1.146 121.567 120.400 0.035 0.000 2.435 164 D HA 0.293 4.933 4.640 -0.000 0.000 0.230 164 D C 1.232 177.533 176.300 0.000 0.000 1.215 164 D CA 0.016 54.028 54.000 0.021 0.000 0.947 164 D CB 0.614 41.436 40.800 0.037 0.000 1.048 164 D HN 0.581 nan 8.370 nan 0.000 0.512 165 I N 2.289 122.852 120.570 -0.011 0.000 2.118 165 I HA -0.280 3.890 4.170 -0.000 0.000 0.241 165 I C 2.004 178.111 176.117 -0.018 0.000 1.070 165 I CA 0.918 62.208 61.300 -0.017 0.000 1.327 165 I CB -0.087 37.901 38.000 -0.021 0.000 1.034 165 I HN 0.326 nan 8.210 nan 0.000 0.405 166 E N 0.904 121.094 120.200 -0.017 0.000 2.153 166 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 166 E C 1.965 178.547 176.600 -0.030 0.000 0.988 166 E CA 0.986 57.373 56.400 -0.022 0.000 0.811 166 E CB -0.305 29.384 29.700 -0.019 0.000 0.746 166 E HN 0.478 nan 8.360 nan 0.000 0.466 167 K N 0.850 121.237 120.400 -0.023 0.000 2.002 167 K HA -0.100 4.220 4.320 -0.000 0.000 0.209 167 K C 2.215 178.785 176.600 -0.050 0.000 1.048 167 K CA 1.175 57.444 56.287 -0.030 0.000 0.930 167 K CB -0.165 32.329 32.500 -0.010 0.000 0.714 167 K HN 0.023 nan 8.250 nan 0.000 0.438 168 I N 1.086 121.636 120.570 -0.034 0.000 2.286 168 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 168 I C 2.552 178.626 176.117 -0.071 0.000 1.115 168 I CA 1.135 62.421 61.300 -0.024 0.000 1.392 168 I CB -0.235 37.772 38.000 0.012 0.000 1.065 168 I HN 0.219 nan 8.210 nan 0.000 0.418 169 K N 1.304 121.673 120.400 -0.052 0.000 2.103 169 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 169 K C 2.078 178.621 176.600 -0.095 0.000 1.048 169 K CA 1.515 57.768 56.287 -0.056 0.000 0.930 169 K CB 0.048 32.527 32.500 -0.035 0.000 0.716 169 K HN 0.228 nan 8.250 nan 0.000 0.444 170 K N 0.254 120.591 120.400 -0.104 0.000 2.097 170 K HA -0.134 4.186 4.320 -0.000 0.000 0.205 170 K C 1.950 178.439 176.600 -0.184 0.000 1.050 170 K CA 1.125 57.344 56.287 -0.114 0.000 0.938 170 K CB 0.019 32.465 32.500 -0.090 0.000 0.718 170 K HN -0.106 nan 8.250 nan 0.000 0.442 171 K N 1.100 121.328 120.400 -0.287 0.000 2.209 171 K HA -0.131 4.189 4.320 -0.000 0.000 0.204 171 K C 0.065 176.348 176.600 -0.529 0.000 1.048 171 K CA 0.677 56.652 56.287 -0.520 0.000 0.940 171 K CB -0.349 31.584 32.500 -0.945 0.000 0.729 171 K HN 0.117 nan 8.250 nan 0.000 0.451 172 N N 0.008 118.499 118.700 -0.348 0.000 2.688 172 N HA -0.240 4.500 4.740 -0.000 0.000 0.258 172 N C -1.489 173.938 175.510 -0.138 0.000 1.016 172 N CA 0.374 53.316 53.050 -0.181 0.000 0.747 172 N CB -1.447 36.973 38.487 -0.112 0.000 0.895 172 N HN 0.135 nan 8.380 nan 0.000 0.543 173 Y N 0.384 120.683 120.300 -0.001 0.000 2.480 173 Y HA 0.147 4.697 4.550 -0.000 0.000 0.338 173 Y C 1.500 177.435 175.900 0.059 0.000 1.220 173 Y CA 0.163 58.273 58.100 0.017 0.000 1.430 173 Y CB 0.575 39.035 38.460 0.000 0.000 1.311 173 Y HN 0.131 nan 8.280 nan 0.000 0.575 174 K N 2.502 123.074 120.400 0.287 0.000 2.281 174 K HA 0.559 4.879 4.320 -0.000 0.000 0.272 174 K C -1.507 175.238 176.600 0.243 0.000 1.048 174 K CA -0.436 56.000 56.287 0.248 0.000 0.898 174 K CB 0.848 33.476 32.500 0.214 0.000 1.128 174 K HN 0.528 nan 8.250 nan 0.000 0.460 175 V N 5.868 125.942 119.914 0.266 0.000 2.769 175 V HA 0.534 4.654 4.120 -0.000 0.000 0.312 175 V C -1.106 175.121 176.094 0.223 0.000 1.061 175 V CA -1.015 61.427 62.300 0.236 0.000 0.931 175 V CB 1.912 33.916 31.823 0.301 0.000 1.010 175 V HN 0.756 nan 8.190 nan 0.000 0.433 176 L N 6.198 127.497 121.223 0.127 0.000 2.365 176 L HA 0.714 5.054 4.340 -0.000 0.000 0.273 176 L C -1.318 175.522 176.870 -0.051 0.000 1.000 176 L CA -0.470 54.412 54.840 0.069 0.000 0.819 176 L CB 1.702 43.771 42.059 0.017 0.000 1.284 176 L HN 0.614 nan 8.230 nan 0.000 0.418 177 I N 3.826 124.339 120.570 -0.096 0.000 2.498 177 I HA 0.324 4.494 4.170 -0.000 0.000 0.290 177 I C -1.300 174.713 176.117 -0.172 0.000 1.032 177 I CA -0.523 60.642 61.300 -0.226 0.000 1.073 177 I CB 2.052 39.878 38.000 -0.291 0.000 1.251 177 I HN 0.502 nan 8.210 nan 0.000 0.426 178 D N 8.605 128.873 120.400 -0.221 0.000 2.462 178 D HA 0.267 4.907 4.640 -0.000 0.000 0.249 178 D C -1.949 174.280 176.300 -0.118 0.000 1.117 178 D CA -2.029 51.893 54.000 -0.130 0.000 0.900 178 D CB 1.709 42.448 40.800 -0.102 0.000 1.039 178 D HN 0.222 nan 8.370 nan 0.000 0.516 179 P HA 0.085 nan 4.420 nan 0.000 0.245 179 P C 0.363 177.738 177.300 0.125 0.000 1.212 179 P CA 0.291 63.435 63.100 0.074 0.000 0.774 179 P CB 0.071 31.816 31.700 0.075 0.000 0.999 180 A N 0.673 123.556 122.820 0.105 0.000 2.846 180 A HA -0.261 4.059 4.320 -0.000 0.000 0.287 180 A C 0.652 178.387 177.584 0.252 0.000 1.469 180 A CA 1.005 53.158 52.037 0.193 0.000 0.757 180 A CB -3.058 16.075 19.000 0.222 0.000 1.033 180 A HN 0.403 nan 8.150 nan 0.000 0.516 181 N N -2.117 116.639 118.700 0.093 0.000 2.741 181 N HA -0.181 4.558 4.740 -0.000 0.000 0.251 181 N C 0.033 175.497 175.510 -0.077 0.000 1.112 181 N CA 1.416 54.444 53.050 -0.037 0.000 0.750 181 N CB -0.959 37.434 38.487 -0.157 0.000 1.119 181 N HN 1.325 nan 8.380 nan 0.000 0.561 182 S N -1.866 113.870 115.700 0.060 0.000 2.740 182 S HA 0.489 4.959 4.470 -0.000 0.000 0.300 182 S C 1.163 175.799 174.600 0.060 0.000 1.147 182 S CA -0.351 57.892 58.200 0.072 0.000 0.871 182 S CB 1.610 64.950 63.200 0.233 0.000 1.173 182 S HN -0.012 nan 8.310 nan 0.000 0.510 183 V N 2.257 122.202 119.914 0.052 0.000 2.571 183 V HA -0.219 3.900 4.120 -0.000 0.000 0.264 183 V C 2.233 178.350 176.094 0.037 0.000 1.121 183 V CA 2.720 65.039 62.300 0.032 0.000 1.127 183 V CB -1.139 30.696 31.823 0.020 0.000 0.695 183 V HN 0.942 nan 8.190 nan 0.000 0.477 184 G N -1.198 107.639 108.800 0.063 0.000 2.432 184 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.219 184 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.219 184 G C 1.679 176.638 174.900 0.098 0.000 1.135 184 G CA 0.756 45.914 45.100 0.096 0.000 0.767 184 G HN 0.700 nan 8.290 nan 0.000 0.550 185 A N 0.370 123.228 122.820 0.063 0.000 2.076 185 A HA 0.126 4.446 4.320 -0.000 0.000 0.220 185 A C 2.231 179.830 177.584 0.026 0.000 1.160 185 A CA 0.930 52.984 52.037 0.028 0.000 0.653 185 A CB -0.238 18.768 19.000 0.012 0.000 0.801 185 A HN 0.395 nan 8.150 nan 0.000 0.455 186 L N -0.502 120.744 121.223 0.038 0.000 2.509 186 L HA 0.002 4.342 4.340 -0.000 0.000 0.222 186 L C 2.332 179.243 176.870 0.068 0.000 1.123 186 L CA 1.066 55.931 54.840 0.042 0.000 0.856 186 L CB 0.045 42.126 42.059 0.036 0.000 0.985 186 L HN 0.581 nan 8.230 nan 0.000 0.456 187 S N -3.566 112.189 115.700 0.092 0.000 2.818 187 S HA 0.005 4.475 4.470 -0.000 0.000 0.251 187 S C 1.708 176.364 174.600 0.094 0.000 1.083 187 S CA 0.288 58.573 58.200 0.142 0.000 0.871 187 S CB 0.055 63.438 63.200 0.304 0.000 0.831 187 S HN 0.082 nan 8.310 nan 0.000 0.470 188 T N 4.048 118.647 114.554 0.075 0.000 2.777 188 T HA 0.086 4.436 4.350 -0.000 0.000 0.266 188 T C -1.012 173.632 174.700 -0.094 0.000 1.040 188 T CA 1.659 63.750 62.100 -0.015 0.000 1.141 188 T CB -1.396 67.454 68.868 -0.029 0.000 0.868 188 T HN 0.380 nan 8.240 nan 0.000 0.444 189 P HA 0.023 nan 4.420 nan 0.000 0.220 189 P C 1.305 178.602 177.300 -0.005 0.000 1.148 189 P CA 0.497 63.561 63.100 -0.059 0.000 0.803 189 P CB -0.088 31.585 31.700 -0.044 0.000 0.782 190 L N -0.361 120.869 121.223 0.011 0.000 2.093 190 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 190 L C 2.420 179.310 176.870 0.032 0.000 1.085 190 L CA 1.595 56.449 54.840 0.023 0.000 0.755 190 L CB -1.564 40.513 42.059 0.031 0.000 0.904 190 L HN -0.059 nan 8.230 nan 0.000 0.435 191 V N -2.770 117.172 119.914 0.046 0.000 2.719 191 V HA -0.022 4.098 4.120 -0.000 0.000 0.252 191 V C 2.389 178.572 176.094 0.148 0.000 1.065 191 V CA 1.223 63.564 62.300 0.068 0.000 1.086 191 V CB -0.916 30.945 31.823 0.064 0.000 0.700 191 V HN 0.257 nan 8.190 nan 0.000 0.467 192 A N 0.899 123.846 122.820 0.212 0.000 1.877 192 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 192 A C 2.494 180.161 177.584 0.139 0.000 1.186 192 A CA 2.073 54.282 52.037 0.286 0.000 0.620 192 A CB -0.750 18.384 19.000 0.224 0.000 0.822 192 A HN 0.613 nan 8.150 nan 0.000 0.443 193 R N -0.392 120.154 120.500 0.076 0.000 2.081 193 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 193 R C 2.198 178.518 176.300 0.034 0.000 1.131 193 R CA 1.443 57.568 56.100 0.040 0.000 0.960 193 R CB -0.385 29.926 30.300 0.019 0.000 0.856 193 R HN 0.442 nan 8.270 nan 0.000 0.436 194 A N 0.540 123.380 122.820 0.034 0.000 2.015 194 A HA -0.036 4.284 4.320 -0.000 0.000 0.219 194 A C 1.798 179.392 177.584 0.016 0.000 1.163 194 A CA 0.875 52.922 52.037 0.017 0.000 0.646 194 A CB -0.164 18.840 19.000 0.006 0.000 0.806 194 A HN 0.348 nan 8.150 nan 0.000 0.448 195 L N -0.880 120.365 121.223 0.037 0.000 2.653 195 L HA 0.258 4.598 4.340 -0.000 0.000 0.231 195 L C 1.322 178.214 176.870 0.037 0.000 1.153 195 L CA 0.284 55.142 54.840 0.030 0.000 0.933 195 L CB -0.396 41.681 42.059 0.030 0.000 1.175 195 L HN 0.495 nan 8.230 nan 0.000 0.473 196 G N 0.409 109.229 108.800 0.033 0.000 2.295 196 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.287 196 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.287 196 G C 0.146 175.070 174.900 0.040 0.000 1.055 196 G CA 0.085 45.199 45.100 0.022 0.000 0.922 196 G HN 0.396 nan 8.290 nan 0.000 0.503 197 C N -0.580 118.767 119.300 0.078 0.000 2.362 197 C HA 0.699 5.159 4.460 -0.000 0.000 0.363 197 C C 0.986 176.010 174.990 0.056 0.000 1.220 197 C CA -0.906 58.177 59.018 0.108 0.000 2.379 197 C CB 1.523 29.375 27.740 0.187 0.000 2.351 197 C HN 0.660 nan 8.230 nan 0.000 0.582 198 K N 1.471 121.907 120.400 0.060 0.000 2.276 198 K HA 0.545 4.865 4.320 -0.000 0.000 0.285 198 K C -1.124 175.443 176.600 -0.055 0.000 1.062 198 K CA -0.047 56.223 56.287 -0.028 0.000 0.918 198 K CB 0.237 32.747 32.500 0.016 0.000 1.055 198 K HN 0.599 nan 8.250 nan 0.000 0.477 199 I N 5.472 125.939 120.570 -0.172 0.000 2.355 199 I HA 0.219 4.389 4.170 -0.000 0.000 0.288 199 I C -1.020 174.930 176.117 -0.278 0.000 0.999 199 I CA -0.974 60.248 61.300 -0.130 0.000 1.163 199 I CB 0.797 38.759 38.000 -0.062 0.000 1.316 199 I HN 0.536 nan 8.210 nan 0.000 0.454 200 Y N 3.799 124.095 120.300 -0.006 0.000 2.335 200 Y HA 0.504 5.053 4.550 -0.000 0.000 0.338 200 Y C 0.609 176.487 175.900 -0.037 0.000 0.977 200 Y CA -0.758 57.333 58.100 -0.015 0.000 1.114 200 Y CB 2.124 40.579 38.460 -0.009 0.000 1.182 200 Y HN 0.519 nan 8.280 nan 0.000 0.463 201 T N 1.126 115.735 114.554 0.092 0.000 2.893 201 T HA 0.701 5.051 4.350 -0.000 0.000 0.291 201 T C -1.256 173.462 174.700 0.029 0.000 1.028 201 T CA -0.734 61.381 62.100 0.025 0.000 0.995 201 T CB 1.846 70.704 68.868 -0.016 0.000 1.051 201 T HN 0.412 nan 8.240 nan 0.000 0.470 202 I N 2.364 122.937 120.570 0.004 0.000 2.493 202 I HA 0.496 4.666 4.170 -0.000 0.000 0.298 202 I C -0.234 175.884 176.117 0.000 0.000 0.998 202 I CA -0.498 60.806 61.300 0.006 0.000 1.137 202 I CB 0.930 38.929 38.000 -0.002 0.000 1.310 202 I HN 0.909 nan 8.210 nan 0.000 0.445 203 N N 4.257 122.961 118.700 0.007 0.000 2.725 203 N HA -0.177 4.562 4.740 -0.000 0.000 0.251 203 N C 0.862 176.371 175.510 -0.000 0.000 1.031 203 N CA 0.933 53.987 53.050 0.008 0.000 0.720 203 N CB -1.498 37.006 38.487 0.028 0.000 0.930 203 N HN 0.955 nan 8.380 nan 0.000 0.543 204 G N -0.236 108.560 108.800 -0.006 0.000 2.623 204 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.214 204 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.214 204 G C 0.591 175.482 174.900 -0.015 0.000 1.138 204 G CA 0.349 45.442 45.100 -0.010 0.000 0.794 204 G HN 0.724 nan 8.290 nan 0.000 0.535 205 N N -0.175 118.511 118.700 -0.022 0.000 2.530 205 N HA 0.402 5.142 4.740 -0.000 0.000 0.277 205 N C -0.289 175.188 175.510 -0.055 0.000 1.168 205 N CA -0.691 52.339 53.050 -0.033 0.000 0.979 205 N CB 1.136 39.603 38.487 -0.033 0.000 1.141 205 N HN -0.057 nan 8.380 nan 0.000 0.459 206 L N 0.840 122.027 121.223 -0.061 0.000 2.360 206 L HA 0.212 4.552 4.340 -0.000 0.000 0.276 206 L C -0.218 176.566 176.870 -0.143 0.000 1.121 206 L CA 0.118 54.902 54.840 -0.094 0.000 0.845 206 L CB 0.219 42.238 42.059 -0.065 0.000 1.143 206 L HN 0.738 nan 8.230 nan 0.000 0.452 207 D N 5.511 125.758 120.400 -0.254 0.000 2.365 207 D HA 0.160 4.800 4.640 -0.000 0.000 0.235 207 D C -1.909 174.064 176.300 -0.546 0.000 1.368 207 D CA -1.276 52.544 54.000 -0.300 0.000 1.001 207 D CB 2.203 42.864 40.800 -0.232 0.000 1.364 207 D HN 0.164 nan 8.370 nan 0.000 0.577 208 P HA -0.098 nan 4.420 nan 0.000 0.226 208 P C 1.266 178.445 177.300 -0.202 0.000 1.146 208 P CA 0.218 63.118 63.100 -0.333 0.000 0.773 208 P CB 0.683 32.326 31.700 -0.095 0.000 0.772 209 L N -2.185 118.931 121.223 -0.179 0.000 2.446 209 L HA 0.227 4.567 4.340 -0.000 0.000 0.219 209 L C 0.720 177.674 176.870 0.140 0.000 1.116 209 L CA 0.372 55.221 54.840 0.014 0.000 0.844 209 L CB -1.385 40.674 42.059 0.001 0.000 0.970 209 L HN -0.185 nan 8.230 nan 0.000 0.457 210 F N -0.832 119.132 119.950 0.024 0.000 3.027 210 F HA -0.330 4.197 4.527 -0.000 0.000 0.276 210 F C 1.938 177.753 175.800 0.026 0.000 0.967 210 F CA 0.724 58.741 58.000 0.027 0.000 0.929 210 F CB -2.213 36.808 39.000 0.036 0.000 0.873 210 F HN 0.090 nan 8.300 nan 0.000 0.787 211 S N 0.409 116.179 115.700 0.117 0.000 2.365 211 S HA -0.229 4.240 4.470 -0.000 0.000 0.225 211 S C 2.263 176.916 174.600 0.088 0.000 1.039 211 S CA 1.707 59.959 58.200 0.086 0.000 1.033 211 S CB -0.150 63.074 63.200 0.040 0.000 0.887 211 S HN 0.666 nan 8.310 nan 0.000 0.447 212 A N 1.628 124.499 122.820 0.086 0.000 1.969 212 A HA 0.129 4.449 4.320 -0.000 0.000 0.218 212 A C 1.041 178.676 177.584 0.084 0.000 1.169 212 A CA 1.212 53.292 52.037 0.073 0.000 0.635 212 A CB -0.298 18.737 19.000 0.058 0.000 0.810 212 A HN 0.816 nan 8.150 nan 0.000 0.445 213 R N -1.240 119.334 120.500 0.123 0.000 2.739 213 R HA 0.324 4.663 4.340 -0.000 0.000 0.266 213 R C -1.038 175.328 176.300 0.109 0.000 1.044 213 R CA -0.563 55.597 56.100 0.100 0.000 0.885 213 R CB 0.191 30.536 30.300 0.075 0.000 1.260 213 R HN 0.295 nan 8.270 nan 0.000 0.477 214 Q N 2.900 122.731 119.800 0.051 0.000 2.395 214 Q HA 0.188 4.528 4.340 -0.000 0.000 0.271 214 Q C -1.562 174.394 176.000 -0.075 0.000 1.026 214 Q CA -1.155 54.631 55.803 -0.029 0.000 0.900 214 Q CB 0.845 29.577 28.738 -0.009 0.000 1.266 214 Q HN 0.450 nan 8.270 nan 0.000 0.430 215 P HA -0.237 nan 4.420 nan 0.000 0.218 215 P C -0.111 177.158 177.300 -0.052 0.000 1.148 215 P CA 1.360 64.313 63.100 -0.244 0.000 0.822 215 P CB 0.087 31.426 31.700 -0.603 0.000 0.784 216 E N 2.258 122.448 120.200 -0.016 0.000 2.265 216 E HA 0.098 4.448 4.350 -0.000 0.000 0.272 216 E C -1.970 174.677 176.600 0.077 0.000 1.067 216 E CA -2.297 54.142 56.400 0.066 0.000 0.900 216 E CB 0.362 30.137 29.700 0.123 0.000 1.017 216 E HN 0.164 nan 8.360 nan 0.000 0.431 217 P HA 0.038 nan 4.420 nan 0.000 0.281 217 P C -0.975 176.443 177.300 0.196 0.000 1.286 217 P CA -0.141 63.009 63.100 0.083 0.000 0.772 217 P CB 0.930 32.645 31.700 0.024 0.000 0.862 218 T N -0.386 114.296 114.554 0.212 0.000 2.883 218 T HA 0.373 4.723 4.350 -0.000 0.000 0.301 218 T C 0.887 175.699 174.700 0.186 0.000 1.158 218 T CA -0.629 61.672 62.100 0.333 0.000 1.007 218 T CB 0.506 69.530 68.868 0.260 0.000 1.186 218 T HN -0.042 nan 8.240 nan 0.000 0.499 219 F N 0.806 120.765 119.950 0.015 0.000 2.176 219 F HA -0.156 4.371 4.527 -0.000 0.000 0.301 219 F C 2.387 178.177 175.800 -0.016 0.000 1.071 219 F CA 2.119 60.096 58.000 -0.039 0.000 1.289 219 F CB -0.224 38.680 39.000 -0.160 0.000 1.028 219 F HN 0.762 nan 8.300 nan 0.000 0.494 220 D N -0.471 120.029 120.400 0.168 0.000 2.162 220 D HA -0.102 4.538 4.640 -0.000 0.000 0.205 220 D C 2.235 178.577 176.300 0.071 0.000 0.964 220 D CA 1.419 55.478 54.000 0.099 0.000 0.847 220 D CB 0.067 40.912 40.800 0.075 0.000 0.988 220 D HN 0.356 nan 8.370 nan 0.000 0.480 221 S N 0.253 115.998 115.700 0.075 0.000 2.428 221 S HA -0.033 4.437 4.470 -0.000 0.000 0.230 221 S C 1.990 176.613 174.600 0.038 0.000 1.014 221 S CA 0.360 58.594 58.200 0.057 0.000 0.957 221 S CB -0.367 62.871 63.200 0.064 0.000 0.784 221 S HN 0.275 nan 8.310 nan 0.000 0.499 222 L N 0.729 121.968 121.223 0.026 0.000 2.688 222 L HA 0.318 4.658 4.340 -0.000 0.000 0.234 222 L C 2.107 178.970 176.870 -0.011 0.000 1.192 222 L CA -0.051 54.782 54.840 -0.011 0.000 0.984 222 L CB -0.247 41.778 42.059 -0.056 0.000 1.232 222 L HN 0.275 nan 8.230 nan 0.000 0.465 223 K N 1.012 121.421 120.400 0.016 0.000 1.984 223 K HA -0.165 4.155 4.320 -0.000 0.000 0.209 223 K C 1.826 178.429 176.600 0.005 0.000 1.046 223 K CA 1.542 57.841 56.287 0.020 0.000 0.934 223 K CB 0.209 32.728 32.500 0.031 0.000 0.717 223 K HN 0.322 nan 8.250 nan 0.000 0.438 224 E N -0.545 119.659 120.200 0.006 0.000 2.047 224 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 224 E C 2.001 178.594 176.600 -0.011 0.000 0.987 224 E CA 1.644 58.045 56.400 0.001 0.000 0.799 224 E CB -0.175 29.530 29.700 0.008 0.000 0.752 224 E HN 0.498 nan 8.360 nan 0.000 0.449 225 T N -0.562 113.982 114.554 -0.016 0.000 2.929 225 T HA -0.017 4.333 4.350 -0.000 0.000 0.271 225 T C 1.888 176.562 174.700 -0.043 0.000 1.085 225 T CA 1.027 63.109 62.100 -0.030 0.000 1.125 225 T CB -0.042 68.805 68.868 -0.035 0.000 0.874 225 T HN 0.139 nan 8.240 nan 0.000 0.494 226 A N 0.593 123.388 122.820 -0.041 0.000 2.016 226 A HA 0.167 4.487 4.320 -0.000 0.000 0.217 226 A C 2.205 179.767 177.584 -0.038 0.000 1.162 226 A CA 1.317 53.325 52.037 -0.048 0.000 0.662 226 A CB -0.550 18.421 19.000 -0.049 0.000 0.812 226 A HN 0.537 nan 8.150 nan 0.000 0.450 227 E N 0.023 120.207 120.200 -0.028 0.000 2.028 227 E HA -0.142 4.207 4.350 -0.000 0.000 0.191 227 E C 2.119 178.697 176.600 -0.036 0.000 0.988 227 E CA 1.868 58.254 56.400 -0.024 0.000 0.799 227 E CB -0.371 29.320 29.700 -0.015 0.000 0.755 227 E HN 0.503 nan 8.360 nan 0.000 0.447 228 V N -1.693 118.197 119.914 -0.041 0.000 2.594 228 V HA -0.156 3.964 4.120 -0.000 0.000 0.253 228 V C 2.143 178.187 176.094 -0.083 0.000 1.069 228 V CA 1.471 63.736 62.300 -0.058 0.000 1.082 228 V CB -0.729 31.064 31.823 -0.051 0.000 0.680 228 V HN 0.089 nan 8.190 nan 0.000 0.469 229 V N 0.079 119.951 119.914 -0.071 0.000 2.407 229 V HA -0.217 3.902 4.120 -0.000 0.000 0.248 229 V C 2.766 178.816 176.094 -0.072 0.000 1.055 229 V CA 2.534 64.788 62.300 -0.077 0.000 1.049 229 V CB -0.725 31.063 31.823 -0.058 0.000 0.662 229 V HN 0.552 nan 8.190 nan 0.000 0.455 230 K N -0.361 120.005 120.400 -0.056 0.000 2.031 230 K HA -0.155 4.165 4.320 -0.000 0.000 0.205 230 K C 2.380 178.947 176.600 -0.055 0.000 1.049 230 K CA 1.758 58.018 56.287 -0.045 0.000 0.939 230 K CB -0.432 32.049 32.500 -0.032 0.000 0.717 230 K HN 0.507 nan 8.250 nan 0.000 0.438 231 T N 0.341 114.859 114.554 -0.060 0.000 2.881 231 T HA -0.069 4.281 4.350 -0.000 0.000 0.270 231 T C 1.500 176.141 174.700 -0.099 0.000 1.068 231 T CA 0.882 62.943 62.100 -0.064 0.000 1.131 231 T CB -0.022 68.815 68.868 -0.053 0.000 0.871 231 T HN 0.121 nan 8.240 nan 0.000 0.479 232 L N -0.303 120.830 121.223 -0.149 0.000 2.591 232 L HA 0.289 4.629 4.340 -0.000 0.000 0.228 232 L C 0.528 177.276 176.870 -0.203 0.000 1.133 232 L CA -0.148 54.539 54.840 -0.254 0.000 0.880 232 L CB -0.170 41.615 42.059 -0.457 0.000 1.033 232 L HN 0.190 nan 8.230 nan 0.000 0.450 233 K N -0.023 120.309 120.400 -0.113 0.000 3.490 233 K HA -0.172 4.148 4.320 -0.000 0.000 0.273 233 K C -0.460 176.110 176.600 -0.051 0.000 0.916 233 K CA 0.211 56.460 56.287 -0.062 0.000 0.718 233 K CB -1.744 30.733 32.500 -0.038 0.000 1.477 233 K HN 0.003 nan 8.250 nan 0.000 0.452 234 V N 1.192 121.069 119.914 -0.061 0.000 2.607 234 V HA 0.026 4.145 4.120 -0.000 0.000 0.289 234 V C 1.282 177.393 176.094 0.028 0.000 1.053 234 V CA -0.273 62.018 62.300 -0.015 0.000 0.996 234 V CB 1.527 33.327 31.823 -0.039 0.000 0.995 234 V HN 0.405 nan 8.190 nan 0.000 0.476 235 D N 2.734 123.177 120.400 0.071 0.000 2.312 235 D HA 0.082 4.722 4.640 -0.000 0.000 0.211 235 D C 0.074 176.380 176.300 0.010 0.000 0.964 235 D CA 0.919 54.956 54.000 0.061 0.000 0.877 235 D CB 0.396 41.280 40.800 0.140 0.000 0.924 235 D HN 0.237 nan 8.370 nan 0.000 0.515 236 L N -1.024 120.220 121.223 0.036 0.000 2.700 236 L HA 0.506 4.845 4.340 -0.000 0.000 0.255 236 L C -1.219 175.719 176.870 0.114 0.000 0.933 236 L CA -0.462 54.419 54.840 0.068 0.000 0.920 236 L CB 1.732 43.806 42.059 0.025 0.000 1.472 236 L HN -0.088 nan 8.230 nan 0.000 0.426 237 G N 2.157 111.021 108.800 0.107 0.000 2.537 237 G HA2 0.768 4.728 3.960 -0.000 0.000 0.308 237 G HA3 0.768 4.728 3.960 -0.000 0.000 0.308 237 G C -1.788 173.092 174.900 -0.035 0.000 1.237 237 G CA -0.677 44.439 45.100 0.026 0.000 0.968 237 G HN 0.770 nan 8.290 nan 0.000 0.481 238 V N -0.495 119.282 119.914 -0.227 0.000 2.851 238 V HA 0.801 4.921 4.120 -0.000 0.000 0.307 238 V C -0.032 175.762 176.094 -0.500 0.000 1.129 238 V CA -0.899 61.088 62.300 -0.521 0.000 0.932 238 V CB 1.284 32.690 31.823 -0.695 0.000 1.024 238 V HN 1.310 nan 8.190 nan 0.000 0.426 239 A N 2.464 125.003 122.820 -0.469 0.000 2.355 239 A HA 0.924 5.244 4.320 -0.000 0.000 0.324 239 A C -0.911 176.512 177.584 -0.269 0.000 1.117 239 A CA -0.478 51.369 52.037 -0.317 0.000 0.785 239 A CB 1.125 20.021 19.000 -0.174 0.000 1.254 239 A HN 1.027 nan 8.150 nan 0.000 0.453 240 H N -0.117 118.889 119.070 -0.108 0.000 2.855 240 H HA 0.445 5.000 4.556 -0.000 0.000 0.363 240 H C -0.840 174.475 175.328 -0.022 0.000 1.185 240 H CA -0.956 55.048 56.048 -0.073 0.000 1.174 240 H CB 1.861 31.590 29.762 -0.055 0.000 1.857 240 H HN 0.855 nan 8.280 nan 0.000 0.565 241 D N 0.051 120.531 120.400 0.132 0.000 2.478 241 D HA 0.084 4.724 4.640 -0.000 0.000 0.263 241 D C 1.391 177.741 176.300 0.084 0.000 1.153 241 D CA -0.391 53.656 54.000 0.078 0.000 1.038 241 D CB 0.501 41.335 40.800 0.057 0.000 1.120 241 D HN 0.708 nan 8.370 nan 0.000 0.564 242 G N 0.209 109.046 108.800 0.061 0.000 2.556 242 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.220 242 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.220 242 G C 0.763 175.721 174.900 0.096 0.000 1.156 242 G CA 1.705 46.874 45.100 0.115 0.000 0.766 242 G HN 0.738 nan 8.290 nan 0.000 0.583 243 D N -0.960 119.465 120.400 0.041 0.000 2.463 243 D HA 0.439 5.078 4.640 -0.000 0.000 0.224 243 D C 1.190 177.457 176.300 -0.054 0.000 1.174 243 D CA 0.207 54.210 54.000 0.006 0.000 0.829 243 D CB -0.374 40.429 40.800 0.005 0.000 0.993 243 D HN 0.706 nan 8.370 nan 0.000 0.497 244 A N 1.450 124.217 122.820 -0.087 0.000 2.748 244 A HA -0.255 4.065 4.320 -0.000 0.000 0.297 244 A C 0.847 178.295 177.584 -0.227 0.000 1.508 244 A CA 1.399 53.263 52.037 -0.288 0.000 0.799 244 A CB -2.305 16.434 19.000 -0.436 0.000 1.011 244 A HN 0.540 nan 8.150 nan 0.000 0.500 245 D N -1.764 118.584 120.400 -0.087 0.000 2.367 245 D HA 0.296 4.936 4.640 -0.000 0.000 0.207 245 D C 0.800 177.110 176.300 0.016 0.000 1.034 245 D CA 0.558 54.548 54.000 -0.018 0.000 0.861 245 D CB 0.152 40.958 40.800 0.010 0.000 0.943 245 D HN 0.650 nan 8.370 nan 0.000 0.515 246 R N 0.033 120.532 120.500 -0.000 0.000 2.668 246 R HA 0.812 5.152 4.340 -0.000 0.000 0.279 246 R C -1.083 175.266 176.300 0.082 0.000 0.976 246 R CA -0.631 55.488 56.100 0.032 0.000 0.978 246 R CB 2.164 32.464 30.300 0.001 0.000 1.133 246 R HN 0.082 nan 8.270 nan 0.000 0.484 247 A N 2.773 125.630 122.820 0.062 0.000 2.497 247 A HA 0.419 4.739 4.320 -0.000 0.000 0.280 247 A C -0.933 176.549 177.584 -0.169 0.000 1.065 247 A CA -0.705 51.330 52.037 -0.003 0.000 0.781 247 A CB 0.438 19.462 19.000 0.040 0.000 1.289 247 A HN 0.760 nan 8.150 nan 0.000 0.415 248 I N -0.469 119.949 120.570 -0.253 0.000 2.378 248 I HA 0.860 5.030 4.170 -0.000 0.000 0.291 248 I C -1.006 174.947 176.117 -0.273 0.000 0.992 248 I CA -0.660 60.532 61.300 -0.179 0.000 1.154 248 I CB 0.953 38.850 38.000 -0.170 0.000 1.315 248 I HN 0.352 nan 8.210 nan 0.000 0.448 249 F N 6.039 125.936 119.950 -0.089 0.000 2.375 249 F HA 0.624 5.150 4.527 -0.000 0.000 0.313 249 F C 0.389 176.068 175.800 -0.201 0.000 1.176 249 F CA -0.634 57.310 58.000 -0.094 0.000 1.142 249 F CB 0.857 39.866 39.000 0.015 0.000 1.275 249 F HN 0.325 nan 8.300 nan 0.000 0.544 250 I N 1.020 121.605 120.570 0.025 0.000 2.500 250 I HA 0.174 4.344 4.170 -0.000 0.000 0.286 250 I C -1.087 175.000 176.117 -0.050 0.000 1.063 250 I CA -1.033 60.210 61.300 -0.095 0.000 1.062 250 I CB 1.665 39.612 38.000 -0.088 0.000 1.223 250 I HN 0.556 nan 8.210 nan 0.000 0.435 251 D N 3.485 123.807 120.400 -0.130 0.000 2.393 251 D HA 0.043 4.682 4.640 -0.000 0.000 0.246 251 D C 1.195 177.491 176.300 -0.006 0.000 1.275 251 D CA -0.408 53.577 54.000 -0.026 0.000 0.979 251 D CB 0.515 41.303 40.800 -0.020 0.000 1.101 251 D HN 0.500 nan 8.370 nan 0.000 0.505 252 S N -1.188 114.523 115.700 0.019 0.000 2.469 252 S HA -0.163 4.306 4.470 -0.000 0.000 0.238 252 S C 1.268 175.867 174.600 -0.001 0.000 0.998 252 S CA 0.517 58.724 58.200 0.011 0.000 0.957 252 S CB -0.445 62.769 63.200 0.022 0.000 0.764 252 S HN 0.520 nan 8.310 nan 0.000 0.514 253 E N 1.063 121.261 120.200 -0.004 0.000 2.427 253 E HA 0.109 4.459 4.350 -0.000 0.000 0.196 253 E C 1.385 177.974 176.600 -0.018 0.000 1.028 253 E CA 0.594 56.990 56.400 -0.007 0.000 0.864 253 E CB -0.246 29.451 29.700 -0.003 0.000 0.813 253 E HN 0.733 nan 8.360 nan 0.000 0.514 254 G N 2.378 111.160 108.800 -0.031 0.000 2.131 254 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.223 254 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.223 254 G C 0.090 174.962 174.900 -0.046 0.000 0.990 254 G CA 0.140 45.218 45.100 -0.037 0.000 0.671 254 G HN 0.300 nan 8.290 nan 0.000 0.521 255 R N -0.328 120.134 120.500 -0.063 0.000 2.338 255 R HA 0.724 5.064 4.340 -0.000 0.000 0.317 255 R C 0.181 176.391 176.300 -0.151 0.000 0.968 255 R CA -0.542 55.515 56.100 -0.073 0.000 0.849 255 R CB 2.538 32.812 30.300 -0.044 0.000 1.128 255 R HN 0.733 nan 8.270 nan 0.000 0.448 256 V N 2.924 122.732 119.914 -0.176 0.000 2.521 256 V HA 0.091 4.211 4.120 -0.000 0.000 0.286 256 V C -0.457 175.446 176.094 -0.319 0.000 1.034 256 V CA -0.113 61.999 62.300 -0.313 0.000 1.045 256 V CB 1.042 32.570 31.823 -0.492 0.000 0.974 256 V HN 0.726 nan 8.190 nan 0.000 0.480 257 Q N 6.351 125.966 119.800 -0.308 0.000 2.241 257 Q HA 0.275 4.614 4.340 -0.000 0.000 0.254 257 Q C -0.321 175.735 176.000 0.093 0.000 0.917 257 Q CA -0.213 55.461 55.803 -0.215 0.000 0.919 257 Q CB 2.179 30.458 28.738 -0.764 0.000 1.237 257 Q HN 0.966 nan 8.270 nan 0.000 0.434 258 W N 1.691 123.024 121.300 0.055 0.000 2.215 258 W HA 0.173 4.833 4.660 -0.000 0.000 0.342 258 W C 1.280 177.889 176.519 0.151 0.000 1.237 258 W CA -0.081 57.360 57.345 0.159 0.000 1.283 258 W CB 1.189 30.875 29.460 0.376 0.000 1.131 258 W HN 0.846 nan 8.180 nan 0.000 0.606 259 G N 1.609 110.074 108.800 -0.558 0.000 2.556 259 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.220 259 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.220 259 G C 0.943 175.795 174.900 -0.081 0.000 1.156 259 G CA 1.792 46.685 45.100 -0.345 0.000 0.766 259 G HN 0.685 nan 8.290 nan 0.000 0.583 260 D N 0.234 120.693 120.400 0.097 0.000 2.219 260 D HA -0.072 4.568 4.640 -0.000 0.000 0.205 260 D C 2.370 178.721 176.300 0.085 0.000 0.970 260 D CA 0.606 54.764 54.000 0.264 0.000 0.851 260 D CB -0.291 40.752 40.800 0.405 0.000 0.943 260 D HN 0.202 nan 8.370 nan 0.000 0.488 261 R N 1.010 121.599 120.500 0.149 0.000 2.064 261 R HA -0.021 4.319 4.340 -0.000 0.000 0.228 261 R C 2.614 178.937 176.300 0.038 0.000 1.144 261 R CA 1.598 57.788 56.100 0.151 0.000 0.932 261 R CB -1.550 28.924 30.300 0.289 0.000 0.833 261 R HN 0.461 nan 8.270 nan 0.000 0.429 262 S N 0.241 116.002 115.700 0.102 0.000 2.400 262 S HA -0.087 4.383 4.470 -0.000 0.000 0.232 262 S C 2.216 176.590 174.600 -0.377 0.000 1.025 262 S CA 1.204 59.372 58.200 -0.052 0.000 0.993 262 S CB -0.821 62.432 63.200 0.089 0.000 0.808 262 S HN 0.463 nan 8.310 nan 0.000 0.478 263 G N 1.373 109.857 108.800 -0.526 0.000 2.422 263 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.218 263 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.218 263 G C 1.450 175.864 174.900 -0.811 0.000 1.146 263 G CA 1.353 45.804 45.100 -1.082 0.000 0.769 263 G HN 0.545 nan 8.290 nan 0.000 0.547 264 T N 1.478 115.732 114.554 -0.499 0.000 2.674 264 T HA -0.077 4.273 4.350 -0.000 0.000 0.265 264 T C 2.340 176.928 174.700 -0.187 0.000 1.039 264 T CA 0.953 62.944 62.100 -0.182 0.000 1.150 264 T CB -0.233 68.553 68.868 -0.136 0.000 0.864 264 T HN 0.016 nan 8.240 nan 0.000 0.427 265 L N 0.608 121.624 121.223 -0.346 0.000 2.012 265 L HA -0.035 4.305 4.340 -0.000 0.000 0.210 265 L C 2.357 179.122 176.870 -0.175 0.000 1.073 265 L CA 1.375 56.025 54.840 -0.316 0.000 0.748 265 L CB -1.488 40.236 42.059 -0.557 0.000 0.891 265 L HN 0.198 nan 8.230 nan 0.000 0.431 266 L N -0.996 119.997 121.223 -0.384 0.000 2.046 266 L HA -0.175 4.164 4.340 -0.000 0.000 0.208 266 L C 2.604 179.398 176.870 -0.127 0.000 1.077 266 L CA 1.487 56.011 54.840 -0.527 0.000 0.747 266 L CB -0.984 40.290 42.059 -1.309 0.000 0.896 266 L HN 0.214 nan 8.230 nan 0.000 0.432 267 S N -1.672 114.111 115.700 0.138 0.000 2.356 267 S HA -0.259 4.211 4.470 -0.000 0.000 0.223 267 S C 1.872 176.603 174.600 0.218 0.000 1.032 267 S CA 1.416 59.846 58.200 0.384 0.000 1.005 267 S CB -0.638 62.800 63.200 0.396 0.000 0.867 267 S HN 0.504 nan 8.310 nan 0.000 0.449 268 Y N 1.316 121.652 120.300 0.062 0.000 2.053 268 Y HA -0.241 4.308 4.550 -0.000 0.000 0.277 268 Y C 2.207 178.117 175.900 0.016 0.000 1.159 268 Y CA 1.710 59.811 58.100 0.001 0.000 1.125 268 Y CB -0.834 37.604 38.460 -0.037 0.000 0.969 268 Y HN 0.427 nan 8.280 nan 0.000 0.492 269 W N 0.983 122.003 121.300 -0.467 0.000 2.338 269 W HA -0.279 4.381 4.660 -0.000 0.000 0.304 269 W C 2.367 178.698 176.519 -0.314 0.000 1.212 269 W CA 1.899 58.935 57.345 -0.514 0.000 1.264 269 W CB -0.431 28.815 29.460 -0.356 0.000 1.142 269 W HN 0.322 nan 8.180 nan 0.000 0.512 270 A N 0.253 122.961 122.820 -0.186 0.000 1.892 270 A HA -0.330 3.989 4.320 -0.000 0.000 0.218 270 A C 2.029 179.499 177.584 -0.189 0.000 1.188 270 A CA 2.616 54.616 52.037 -0.062 0.000 0.631 270 A CB -1.487 17.691 19.000 0.296 0.000 0.822 270 A HN 0.374 nan 8.150 nan 0.000 0.447 271 S N -0.706 114.870 115.700 -0.206 0.000 2.359 271 S HA -0.147 4.323 4.470 -0.000 0.000 0.224 271 S C 1.885 176.288 174.600 -0.329 0.000 1.035 271 S CA 1.791 59.865 58.200 -0.209 0.000 1.018 271 S CB -0.601 62.508 63.200 -0.151 0.000 0.876 271 S HN 0.344 nan 8.310 nan 0.000 0.448 272 V N 1.753 121.336 119.914 -0.553 0.000 2.469 272 V HA -0.142 3.978 4.120 -0.000 0.000 0.251 272 V C 2.419 178.165 176.094 -0.580 0.000 1.064 272 V CA 1.995 63.948 62.300 -0.578 0.000 1.066 272 V CB -0.640 30.728 31.823 -0.757 0.000 0.667 272 V HN 0.490 nan 8.190 nan 0.000 0.461 273 K N -0.120 119.859 120.400 -0.701 0.000 2.217 273 K HA -0.019 4.301 4.320 -0.000 0.000 0.202 273 K C 0.453 176.903 176.600 -0.251 0.000 1.051 273 K CA 0.772 56.763 56.287 -0.494 0.000 0.952 273 K CB -0.011 32.208 32.500 -0.468 0.000 0.736 273 K HN 0.357 nan 8.250 nan 0.000 0.453 274 N N 0.189 118.759 118.700 -0.215 0.000 2.791 274 N HA 0.152 4.892 4.740 -0.000 0.000 0.265 274 N C -2.401 173.038 175.510 -0.119 0.000 1.580 274 N CA -1.576 51.389 53.050 -0.141 0.000 0.809 274 N CB 1.413 39.825 38.487 -0.125 0.000 1.178 274 N HN -0.186 nan 8.380 nan 0.000 0.499 275 P HA -0.240 nan 4.420 nan 0.000 0.206 275 P C -0.482 176.784 177.300 -0.056 0.000 1.142 275 P CA 1.694 64.747 63.100 -0.079 0.000 0.946 275 P CB 0.078 31.740 31.700 -0.064 0.000 0.777 276 K N 0.132 120.503 120.400 -0.049 0.000 2.294 276 K HA 0.496 4.816 4.320 -0.000 0.000 0.288 276 K C -0.616 175.957 176.600 -0.045 0.000 1.072 276 K CA 0.068 56.332 56.287 -0.038 0.000 0.960 276 K CB -0.661 31.820 32.500 -0.032 0.000 1.043 276 K HN 0.179 nan 8.250 nan 0.000 0.455 277 A N 4.590 127.386 122.820 -0.041 0.000 2.171 277 A HA 0.214 4.534 4.320 -0.000 0.000 0.303 277 A C -0.165 177.399 177.584 -0.034 0.000 1.009 277 A CA -1.066 50.944 52.037 -0.045 0.000 1.015 277 A CB -0.336 18.625 19.000 -0.066 0.000 1.372 277 A HN 0.957 nan 8.150 nan 0.000 0.355 278 I N 1.043 121.597 120.570 -0.027 0.000 3.508 278 I HA -0.095 4.075 4.170 -0.000 0.000 0.330 278 I C 0.187 176.294 176.117 -0.017 0.000 1.258 278 I CA 0.407 61.695 61.300 -0.020 0.000 1.416 278 I CB -0.147 37.840 38.000 -0.021 0.000 1.396 278 I HN 0.396 nan 8.210 nan 0.000 0.485 279 K N 7.326 127.723 120.400 -0.005 0.000 2.095 279 K HA 0.280 4.600 4.320 -0.000 0.000 0.258 279 K C -0.518 176.084 176.600 0.004 0.000 1.120 279 K CA 0.267 56.559 56.287 0.008 0.000 1.026 279 K CB -0.518 32.001 32.500 0.031 0.000 1.256 279 K HN 0.704 nan 8.250 nan 0.000 0.360 280 K N 2.119 122.512 120.400 -0.013 0.000 2.550 280 K HA 0.485 4.804 4.320 -0.000 0.000 0.252 280 K C -0.382 176.183 176.600 -0.058 0.000 0.943 280 K CA -0.688 55.575 56.287 -0.039 0.000 0.806 280 K CB 1.824 34.294 32.500 -0.050 0.000 1.289 280 K HN 0.466 nan 8.250 nan 0.000 0.435 281 I N -1.090 119.423 120.570 -0.096 0.000 2.530 281 I HA 0.594 4.764 4.170 -0.000 0.000 0.297 281 I C -0.489 175.482 176.117 -0.244 0.000 1.011 281 I CA -1.220 60.005 61.300 -0.124 0.000 1.107 281 I CB 1.705 39.677 38.000 -0.047 0.000 1.285 281 I HN 0.229 nan 8.210 nan 0.000 0.436 282 V N 4.121 123.889 119.914 -0.244 0.000 2.904 282 V HA 0.641 4.761 4.120 -0.000 0.000 0.305 282 V C 0.344 176.171 176.094 -0.445 0.000 1.067 282 V CA -0.003 62.127 62.300 -0.284 0.000 1.044 282 V CB 1.398 33.104 31.823 -0.195 0.000 1.050 282 V HN 0.963 nan 8.190 nan 0.000 0.475 283 T N 1.699 115.986 114.554 -0.444 0.000 3.168 283 T HA 0.514 4.864 4.350 -0.000 0.000 0.373 283 T C -0.715 173.826 174.700 -0.265 0.000 1.681 283 T CA 0.125 61.895 62.100 -0.549 0.000 1.135 283 T CB 0.907 69.189 68.868 -0.975 0.000 1.477 283 T HN 1.252 nan 8.240 nan 0.000 0.480 284 A N 2.215 124.945 122.820 -0.150 0.000 2.425 284 A HA 0.488 4.808 4.320 -0.000 0.000 0.242 284 A C 1.817 179.498 177.584 0.161 0.000 1.077 284 A CA 0.255 52.300 52.037 0.014 0.000 0.781 284 A CB 0.039 19.050 19.000 0.019 0.000 1.020 284 A HN 1.726 nan 8.150 nan 0.000 0.494 285 V N 0.255 120.273 119.914 0.172 0.000 3.383 285 V HA -0.080 4.040 4.120 -0.000 0.000 0.272 285 V C 1.478 177.604 176.094 0.053 0.000 1.181 285 V CA 1.747 64.116 62.300 0.115 0.000 1.171 285 V CB -1.554 30.249 31.823 -0.034 0.000 0.800 285 V HN 0.985 nan 8.190 nan 0.000 0.515 286 S N -1.198 114.577 115.700 0.126 0.000 2.548 286 S HA 0.180 4.650 4.470 -0.000 0.000 0.215 286 S C 0.962 175.697 174.600 0.226 0.000 0.976 286 S CA 0.094 58.413 58.200 0.199 0.000 0.908 286 S CB -0.262 63.056 63.200 0.197 0.000 0.781 286 S HN 0.505 nan 8.310 nan 0.000 0.519 287 S N 2.608 118.398 115.700 0.150 0.000 2.565 287 S HA 0.406 4.876 4.470 -0.000 0.000 0.276 287 S C 0.303 174.846 174.600 -0.094 0.000 1.326 287 S CA -0.479 57.818 58.200 0.162 0.000 1.045 287 S CB 1.246 64.526 63.200 0.133 0.000 0.918 287 S HN 0.533 nan 8.310 nan 0.000 0.505 288 S N 1.536 117.244 115.700 0.014 0.000 2.559 288 S HA -0.007 4.463 4.470 -0.000 0.000 0.282 288 S C 1.608 175.873 174.600 -0.558 0.000 1.336 288 S CA 0.120 58.186 58.200 -0.224 0.000 1.037 288 S CB 0.418 63.703 63.200 0.142 0.000 0.853 288 S HN 0.846 nan 8.310 nan 0.000 0.523 289 S N 4.336 119.367 115.700 -1.115 0.000 2.453 289 S HA -0.083 4.387 4.470 -0.000 0.000 0.231 289 S C 1.965 176.412 174.600 -0.256 0.000 1.005 289 S CA 0.972 58.784 58.200 -0.647 0.000 0.949 289 S CB -0.814 61.959 63.200 -0.712 0.000 0.774 289 S HN 0.822 nan 8.310 nan 0.000 0.510 290 L N 1.236 122.232 121.223 -0.378 0.000 2.151 290 L HA -0.092 4.248 4.340 -0.000 0.000 0.215 290 L C 2.356 179.296 176.870 0.117 0.000 1.084 290 L CA 2.045 56.833 54.840 -0.086 0.000 0.764 290 L CB -0.674 41.381 42.059 -0.007 0.000 0.891 290 L HN 0.355 nan 8.230 nan 0.000 0.435 291 V N -0.026 119.947 119.914 0.098 0.000 2.261 291 V HA -0.324 3.796 4.120 -0.000 0.000 0.246 291 V C 2.423 178.612 176.094 0.159 0.000 1.047 291 V CA 2.496 64.891 62.300 0.157 0.000 1.015 291 V CB -0.348 31.562 31.823 0.144 0.000 0.642 291 V HN 0.742 nan 8.190 nan 0.000 0.446 292 E N -0.802 119.476 120.200 0.130 0.000 2.072 292 E HA -0.232 4.118 4.350 -0.000 0.000 0.191 292 E C 2.315 179.004 176.600 0.149 0.000 0.985 292 E CA 1.158 57.642 56.400 0.140 0.000 0.801 292 E CB -0.243 29.621 29.700 0.272 0.000 0.750 292 E HN 0.669 nan 8.360 nan 0.000 0.452 293 E N 0.108 120.402 120.200 0.157 0.000 2.065 293 E HA -0.247 4.103 4.350 -0.000 0.000 0.201 293 E C 1.843 178.546 176.600 0.173 0.000 1.016 293 E CA 1.485 57.986 56.400 0.169 0.000 0.818 293 E CB -0.382 29.460 29.700 0.236 0.000 0.749 293 E HN 0.392 nan 8.360 nan 0.000 0.453 294 Y N 0.677 121.046 120.300 0.116 0.000 2.130 294 Y HA -0.092 4.458 4.550 -0.000 0.000 0.287 294 Y C 2.487 178.481 175.900 0.157 0.000 1.124 294 Y CA 1.537 59.709 58.100 0.119 0.000 1.118 294 Y CB -0.388 38.147 38.460 0.124 0.000 0.994 294 Y HN -0.031 nan 8.280 nan 0.000 0.497 295 L N -0.531 120.946 121.223 0.422 0.000 2.187 295 L HA -0.258 4.082 4.340 -0.000 0.000 0.213 295 L C 2.424 179.419 176.870 0.210 0.000 1.100 295 L CA 1.295 56.374 54.840 0.400 0.000 0.765 295 L CB -0.683 41.572 42.059 0.326 0.000 0.904 295 L HN 0.231 nan 8.230 nan 0.000 0.437 296 S N 0.539 116.293 115.700 0.090 0.000 2.374 296 S HA -0.225 4.245 4.470 -0.000 0.000 0.227 296 S C 1.625 176.181 174.600 -0.074 0.000 1.037 296 S CA 1.793 60.006 58.200 0.022 0.000 1.024 296 S CB -0.281 62.928 63.200 0.015 0.000 0.861 296 S HN 0.554 nan 8.310 nan 0.000 0.456 297 K N -0.029 120.227 120.400 -0.239 0.000 2.643 297 K HA -0.045 4.275 4.320 -0.000 0.000 0.193 297 K C -0.094 176.119 176.600 -0.644 0.000 1.027 297 K CA 0.954 56.967 56.287 -0.457 0.000 1.033 297 K CB -0.275 31.845 32.500 -0.632 0.000 0.827 297 K HN 0.418 nan 8.250 nan 0.000 0.500 298 Y N 0.729 121.016 120.300 -0.023 0.000 2.707 298 Y HA 0.238 4.788 4.550 -0.000 0.000 0.249 298 Y C -0.591 175.338 175.900 0.048 0.000 1.166 298 Y CA -1.171 56.955 58.100 0.043 0.000 1.184 298 Y CB 0.024 38.565 38.460 0.136 0.000 1.240 298 Y HN 0.204 nan 8.280 nan 0.000 0.547 299 N N 0.606 119.370 118.700 0.107 0.000 2.741 299 N HA -0.204 4.536 4.740 -0.000 0.000 0.250 299 N C -0.899 174.664 175.510 0.089 0.000 1.115 299 N CA 0.439 53.535 53.050 0.077 0.000 0.724 299 N CB -1.287 37.240 38.487 0.067 0.000 1.090 299 N HN 0.255 nan 8.380 nan 0.000 0.558 300 I N 1.318 121.959 120.570 0.118 0.000 2.354 300 I HA 0.179 4.348 4.170 -0.000 0.000 0.292 300 I C 0.394 176.542 176.117 0.052 0.000 0.989 300 I CA -0.699 60.659 61.300 0.096 0.000 1.188 300 I CB 1.371 39.463 38.000 0.154 0.000 1.342 300 I HN 0.046 nan 8.210 nan 0.000 0.457 301 Q N 5.610 125.416 119.800 0.009 0.000 2.245 301 Q HA 0.625 4.965 4.340 -0.000 0.000 0.256 301 Q C -0.639 175.295 176.000 -0.110 0.000 0.942 301 Q CA -1.047 54.739 55.803 -0.028 0.000 0.896 301 Q CB 2.378 31.105 28.738 -0.019 0.000 1.272 301 Q HN 0.546 nan 8.270 nan 0.000 0.442 302 V N -1.014 118.780 119.914 -0.201 0.000 2.294 302 V HA 0.333 4.453 4.120 -0.000 0.000 0.272 302 V C -1.017 174.748 176.094 -0.549 0.000 1.027 302 V CA -0.936 61.077 62.300 -0.479 0.000 0.823 302 V CB 0.879 32.190 31.823 -0.853 0.000 1.030 302 V HN 0.664 nan 8.190 nan 0.000 0.457 303 D N 5.684 125.867 120.400 -0.362 0.000 2.336 303 D HA 0.255 4.895 4.640 -0.000 0.000 0.249 303 D C -0.376 175.770 176.300 -0.257 0.000 1.213 303 D CA 0.357 54.236 54.000 -0.200 0.000 0.870 303 D CB 0.743 41.473 40.800 -0.117 0.000 1.076 303 D HN 0.716 nan 8.370 nan 0.000 0.483 304 W N 1.571 122.804 121.300 -0.112 0.000 2.261 304 W HA 0.350 5.009 4.660 -0.000 0.000 0.323 304 W C 1.182 177.637 176.519 -0.107 0.000 1.243 304 W CA -0.396 56.869 57.345 -0.133 0.000 1.210 304 W CB 0.934 30.311 29.460 -0.140 0.000 1.149 304 W HN 0.060 nan 8.180 nan 0.000 0.562 305 T N 1.541 116.159 114.554 0.107 0.000 2.864 305 T HA 0.411 4.761 4.350 -0.000 0.000 0.289 305 T C 0.153 174.881 174.700 0.047 0.000 1.082 305 T CA -0.874 61.253 62.100 0.045 0.000 1.009 305 T CB 0.878 69.738 68.868 -0.013 0.000 1.234 305 T HN 0.341 nan 8.240 nan 0.000 0.526 306 K N 0.417 120.834 120.400 0.029 0.000 2.284 306 K HA 0.352 4.672 4.320 -0.000 0.000 0.243 306 K C -0.408 176.210 176.600 0.030 0.000 1.075 306 K CA -0.485 55.821 56.287 0.031 0.000 0.868 306 K CB 0.075 32.592 32.500 0.029 0.000 1.157 306 K HN 0.296 nan 8.250 nan 0.000 0.512 307 V N 0.923 120.859 119.914 0.037 0.000 2.322 307 V HA 0.382 4.502 4.120 -0.000 0.000 0.258 307 V C 0.227 176.339 176.094 0.030 0.000 1.074 307 V CA -0.415 61.908 62.300 0.039 0.000 0.909 307 V CB 0.285 32.141 31.823 0.055 0.000 1.090 307 V HN 0.868 nan 8.190 nan 0.000 0.486 308 G N 2.323 111.133 108.800 0.018 0.000 2.107 308 G HA2 0.324 4.284 3.960 -0.000 0.000 0.297 308 G HA3 0.324 4.284 3.960 -0.000 0.000 0.297 308 G C 0.273 175.177 174.900 0.008 0.000 1.543 308 G CA 0.034 45.143 45.100 0.016 0.000 1.115 308 G HN 0.428 nan 8.290 nan 0.000 0.550 309 S N 0.812 116.519 115.700 0.011 0.000 2.427 309 S HA -0.214 4.255 4.470 -0.000 0.000 0.231 309 S C 2.657 177.260 174.600 0.006 0.000 1.045 309 S CA 1.779 59.984 58.200 0.008 0.000 1.154 309 S CB -0.361 62.849 63.200 0.017 0.000 1.093 309 S HN 0.544 nan 8.310 nan 0.000 0.422 310 V N 2.354 122.276 119.914 0.014 0.000 2.370 310 V HA -0.242 3.878 4.120 -0.000 0.000 0.252 310 V C 2.276 178.400 176.094 0.050 0.000 1.068 310 V CA 2.175 64.488 62.300 0.022 0.000 1.061 310 V CB -0.797 31.039 31.823 0.021 0.000 0.656 310 V HN 0.402 nan 8.190 nan 0.000 0.455 311 D N -0.312 120.110 120.400 0.035 0.000 2.123 311 D HA -0.081 4.559 4.640 -0.000 0.000 0.200 311 D C 2.079 178.391 176.300 0.020 0.000 0.976 311 D CA 1.039 55.062 54.000 0.039 0.000 0.831 311 D CB -0.134 40.675 40.800 0.015 0.000 0.974 311 D HN 0.379 nan 8.370 nan 0.000 0.469 312 I N 0.598 121.161 120.570 -0.011 0.000 2.264 312 I HA -0.292 3.878 4.170 -0.000 0.000 0.248 312 I C 2.299 178.380 176.117 -0.061 0.000 1.111 312 I CA 0.884 62.157 61.300 -0.045 0.000 1.382 312 I CB -0.178 37.785 38.000 -0.062 0.000 1.060 312 I HN -0.023 nan 8.210 nan 0.000 0.418 313 A N 0.427 123.213 122.820 -0.057 0.000 1.849 313 A HA -0.299 4.021 4.320 -0.000 0.000 0.217 313 A C 2.204 179.660 177.584 -0.213 0.000 1.202 313 A CA 1.855 53.827 52.037 -0.110 0.000 0.629 313 A CB -1.150 17.769 19.000 -0.134 0.000 0.834 313 A HN 0.423 nan 8.150 nan 0.000 0.447 314 H N -0.713 118.283 119.070 -0.123 0.000 2.387 314 H HA -0.106 4.450 4.556 -0.000 0.000 0.299 314 H C 2.158 177.372 175.328 -0.189 0.000 1.090 314 H CA 1.921 57.867 56.048 -0.171 0.000 1.332 314 H CB -0.115 29.581 29.762 -0.110 0.000 1.386 314 H HN 0.476 nan 8.280 nan 0.000 0.516 315 K N 0.701 121.086 120.400 -0.026 0.000 1.969 315 K HA -0.113 4.207 4.320 -0.000 0.000 0.216 315 K C 2.263 178.789 176.600 -0.123 0.000 1.048 315 K CA 1.460 57.708 56.287 -0.065 0.000 0.948 315 K CB -0.734 31.730 32.500 -0.061 0.000 0.726 315 K HN -0.029 nan 8.250 nan 0.000 0.442 316 V N 0.895 120.725 119.914 -0.141 0.000 2.439 316 V HA -0.327 3.793 4.120 -0.000 0.000 0.253 316 V C 2.260 178.195 176.094 -0.265 0.000 1.074 316 V CA 2.125 64.338 62.300 -0.145 0.000 1.076 316 V CB -0.971 30.806 31.823 -0.076 0.000 0.664 316 V HN 0.531 nan 8.190 nan 0.000 0.461 317 A N -0.118 122.394 122.820 -0.514 0.000 1.843 317 A HA -0.168 4.151 4.320 -0.000 0.000 0.213 317 A C 2.019 179.394 177.584 -0.349 0.000 1.202 317 A CA 1.528 53.066 52.037 -0.831 0.000 0.607 317 A CB -0.670 17.695 19.000 -1.060 0.000 0.847 317 A HN 0.506 nan 8.150 nan 0.000 0.445 318 D N -0.415 119.863 120.400 -0.205 0.000 2.190 318 D HA -0.179 4.461 4.640 -0.000 0.000 0.200 318 D C 1.617 177.862 176.300 -0.092 0.000 0.992 318 D CA 1.596 55.531 54.000 -0.109 0.000 0.854 318 D CB -0.250 40.510 40.800 -0.068 0.000 0.936 318 D HN 0.767 nan 8.370 nan 0.000 0.462 319 E N 0.091 120.230 120.200 -0.101 0.000 2.474 319 E HA -0.058 4.292 4.350 -0.000 0.000 0.195 319 E C -0.265 176.298 176.600 -0.062 0.000 1.039 319 E CA -0.059 56.297 56.400 -0.073 0.000 0.881 319 E CB 0.078 29.736 29.700 -0.070 0.000 0.970 319 E HN -0.078 nan 8.360 nan 0.000 0.486 320 N N 0.102 118.761 118.700 -0.068 0.000 2.725 320 N HA -0.227 4.513 4.740 -0.000 0.000 0.249 320 N C -0.462 175.036 175.510 -0.021 0.000 1.103 320 N CA 0.786 53.820 53.050 -0.026 0.000 0.707 320 N CB -1.510 36.964 38.487 -0.021 0.000 1.043 320 N HN 0.400 nan 8.380 nan 0.000 0.553 321 A N -0.375 122.425 122.820 -0.034 0.000 2.433 321 A HA 0.291 4.611 4.320 -0.000 0.000 0.250 321 A C 1.664 179.231 177.584 -0.027 0.000 1.113 321 A CA 0.428 52.442 52.037 -0.039 0.000 0.794 321 A CB 0.080 19.042 19.000 -0.063 0.000 1.067 321 A HN 0.342 nan 8.150 nan 0.000 0.510 322 L N -0.520 120.681 121.223 -0.035 0.000 2.131 322 L HA 0.443 4.782 4.340 -0.000 0.000 0.206 322 L C 0.880 177.729 176.870 -0.036 0.000 1.087 322 L CA 2.375 57.195 54.840 -0.033 0.000 0.767 322 L CB -0.376 41.679 42.059 -0.007 0.000 0.917 322 L HN 1.157 nan 8.230 nan 0.000 0.441 323 A N -2.502 120.287 122.820 -0.052 0.000 2.457 323 A HA 0.719 5.038 4.320 -0.000 0.000 0.305 323 A C -0.686 176.788 177.584 -0.182 0.000 1.110 323 A CA -0.191 51.757 52.037 -0.149 0.000 0.616 323 A CB -0.109 18.805 19.000 -0.142 0.000 1.371 323 A HN 0.363 nan 8.150 nan 0.000 0.525 324 G N -1.511 107.096 108.800 -0.322 0.000 2.601 324 G HA2 0.858 4.818 3.960 -0.000 0.000 0.291 324 G HA3 0.858 4.818 3.960 -0.000 0.000 0.291 324 G C -1.263 173.572 174.900 -0.108 0.000 1.456 324 G CA 0.272 45.242 45.100 -0.217 0.000 0.804 324 G HN 2.196 nan 8.290 nan 0.000 0.499 325 F N -1.509 118.347 119.950 -0.157 0.000 2.725 325 F HA 0.689 5.216 4.527 -0.000 0.000 0.311 325 F C -0.754 175.034 175.800 -0.020 0.000 1.121 325 F CA -1.301 56.669 58.000 -0.050 0.000 0.978 325 F CB 0.958 40.021 39.000 0.105 0.000 1.274 325 F HN 0.476 nan 8.300 nan 0.000 0.440 326 E N 1.249 121.569 120.200 0.199 0.000 2.322 326 E HA 0.199 4.549 4.350 -0.000 0.000 0.257 326 E C 0.219 176.961 176.600 0.237 0.000 1.155 326 E CA -0.058 56.407 56.400 0.108 0.000 0.936 326 E CB 1.185 30.920 29.700 0.059 0.000 1.130 326 E HN 0.847 nan 8.360 nan 0.000 0.465 327 E N -0.642 119.643 120.200 0.141 0.000 2.479 327 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 327 E C 0.471 176.853 176.600 -0.363 0.000 1.049 327 E CA 0.348 56.806 56.400 0.096 0.000 0.870 327 E CB -0.467 29.400 29.700 0.278 0.000 0.944 327 E HN 0.343 nan 8.360 nan 0.000 0.492 328 N N 0.596 119.125 118.700 -0.285 0.000 2.276 328 N HA 0.280 5.020 4.740 -0.000 0.000 0.212 328 N C 0.552 175.774 175.510 -0.479 0.000 1.127 328 N CA 0.205 52.934 53.050 -0.534 0.000 0.834 328 N CB 0.880 39.268 38.487 -0.166 0.000 1.014 328 N HN 0.269 nan 8.380 nan 0.000 0.491 329 G N -0.970 107.631 108.800 -0.332 0.000 2.549 329 G HA2 0.391 4.351 3.960 -0.000 0.000 0.404 329 G HA3 0.391 4.351 3.960 -0.000 0.000 0.404 329 G C -0.115 174.796 174.900 0.018 0.000 1.292 329 G CA -0.155 44.859 45.100 -0.143 0.000 0.935 329 G HN 1.235 nan 8.290 nan 0.000 0.512 330 G N -1.641 107.222 108.800 0.105 0.000 3.316 330 G HA2 0.380 4.340 3.960 -0.000 0.000 0.445 330 G HA3 0.380 4.340 3.960 -0.000 0.000 0.445 330 G C -0.502 174.567 174.900 0.282 0.000 1.002 330 G CA 0.548 45.744 45.100 0.160 0.000 0.818 330 G HN 2.118 nan 8.290 nan 0.000 0.404 331 F N 4.626 124.659 119.950 0.137 0.000 2.563 331 F HA 0.855 5.382 4.527 -0.000 0.000 0.316 331 F C 0.201 176.108 175.800 0.177 0.000 1.076 331 F CA -1.625 56.478 58.000 0.171 0.000 0.921 331 F CB 1.786 40.858 39.000 0.120 0.000 1.209 331 F HN 0.515 nan 8.300 nan 0.000 0.462 332 M N 6.068 125.469 119.600 -0.330 0.000 2.134 332 M HA 0.325 4.805 4.480 -0.000 0.000 0.310 332 M C -2.002 174.208 176.300 -0.151 0.000 0.966 332 M CA -0.703 54.532 55.300 -0.109 0.000 0.922 332 M CB 1.210 33.774 32.600 -0.060 0.000 1.537 332 M HN 0.734 nan 8.290 nan 0.000 0.424 333 Y N 5.874 126.160 120.300 -0.024 0.000 2.717 333 Y HA 0.404 4.953 4.550 -0.000 0.000 0.329 333 Y C -2.063 173.759 175.900 -0.130 0.000 1.017 333 Y CA -1.925 56.173 58.100 -0.003 0.000 1.275 333 Y CB 0.793 39.352 38.460 0.164 0.000 1.109 333 Y HN 0.520 nan 8.280 nan 0.000 0.511 334 P HA -0.280 nan 4.420 nan 0.000 0.221 334 P C -1.244 175.605 177.300 -0.751 0.000 1.160 334 P CA 2.719 65.396 63.100 -0.705 0.000 0.933 334 P CB -0.707 30.762 31.700 -0.385 0.000 0.793 335 P HA -0.228 nan 4.420 nan 0.000 0.217 335 P C 1.513 178.561 177.300 -0.420 0.000 1.148 335 P CA 1.795 64.499 63.100 -0.660 0.000 0.828 335 P CB -0.521 30.644 31.700 -0.893 0.000 0.783 336 H N 0.432 119.232 119.070 -0.451 0.000 2.281 336 H HA 0.045 4.601 4.556 -0.000 0.000 0.310 336 H C 0.929 176.293 175.328 0.059 0.000 1.052 336 H CA 0.745 56.810 56.048 0.027 0.000 1.331 336 H CB 0.449 30.321 29.762 0.182 0.000 1.419 336 H HN 0.137 nan 8.280 nan 0.000 0.518 337 Q N -1.387 118.265 119.800 -0.245 0.000 2.575 337 Q HA 0.112 4.452 4.340 -0.000 0.000 0.290 337 Q C -1.860 173.966 176.000 -0.291 0.000 0.963 337 Q CA -0.941 54.678 55.803 -0.307 0.000 0.783 337 Q CB 0.705 29.310 28.738 -0.222 0.000 1.467 337 Q HN 0.268 nan 8.270 nan 0.000 0.402 338 Y N 0.772 121.029 120.300 -0.072 0.000 2.994 338 Y HA 0.389 4.939 4.550 -0.000 0.000 0.393 338 Y C -0.132 175.716 175.900 -0.088 0.000 1.118 338 Y CA -0.194 57.848 58.100 -0.098 0.000 1.906 338 Y CB 0.277 38.650 38.460 -0.146 0.000 1.925 338 Y HN 0.453 nan 8.280 nan 0.000 0.446 339 V N -2.919 117.042 119.914 0.077 0.000 3.120 339 V HA 0.545 4.665 4.120 -0.000 0.000 0.303 339 V C -0.327 175.821 176.094 0.090 0.000 1.238 339 V CA -2.070 60.267 62.300 0.062 0.000 1.008 339 V CB 1.755 33.605 31.823 0.045 0.000 1.064 339 V HN 0.145 nan 8.190 nan 0.000 0.434 340 R N 2.054 122.601 120.500 0.078 0.000 2.486 340 R HA 0.224 4.564 4.340 -0.000 0.000 0.303 340 R C -0.642 175.741 176.300 0.138 0.000 0.958 340 R CA 0.515 56.681 56.100 0.110 0.000 1.077 340 R CB 0.023 30.371 30.300 0.081 0.000 0.921 340 R HN 0.856 nan 8.270 nan 0.000 0.406 341 D N 2.517 123.040 120.400 0.205 0.000 2.358 341 D HA 0.131 4.770 4.640 -0.000 0.000 0.253 341 D C 1.006 177.441 176.300 0.227 0.000 1.288 341 D CA -0.310 53.835 54.000 0.242 0.000 0.950 341 D CB 1.347 42.364 40.800 0.360 0.000 1.197 341 D HN 0.578 nan 8.370 nan 0.000 0.550 342 G N 2.579 111.449 108.800 0.117 0.000 2.491 342 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.218 342 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.218 342 G C 1.400 176.451 174.900 0.252 0.000 1.180 342 G CA 1.317 46.485 45.100 0.112 0.000 0.774 342 G HN 0.564 nan 8.290 nan 0.000 0.562 343 A N -0.016 122.922 122.820 0.196 0.000 1.902 343 A HA -0.008 4.311 4.320 -0.000 0.000 0.217 343 A C 2.346 180.024 177.584 0.155 0.000 1.181 343 A CA 2.338 54.500 52.037 0.208 0.000 0.623 343 A CB -0.369 18.692 19.000 0.102 0.000 0.818 343 A HN 0.419 nan 8.150 nan 0.000 0.443 344 M N 0.269 119.926 119.600 0.095 0.000 2.229 344 M HA -0.066 4.414 4.480 -0.000 0.000 0.264 344 M C 2.053 178.401 176.300 0.081 0.000 1.063 344 M CA 2.015 57.320 55.300 0.009 0.000 1.114 344 M CB -0.551 32.102 32.600 0.087 0.000 1.387 344 M HN 0.317 nan 8.290 nan 0.000 0.420 345 S N 0.010 115.831 115.700 0.202 0.000 2.345 345 S HA -0.117 4.353 4.470 -0.000 0.000 0.220 345 S C 1.683 176.432 174.600 0.248 0.000 1.031 345 S CA 1.446 59.758 58.200 0.186 0.000 0.996 345 S CB -0.844 62.548 63.200 0.321 0.000 0.882 345 S HN 0.642 nan 8.310 nan 0.000 0.445 346 F N 2.903 123.008 119.950 0.258 0.000 2.120 346 F HA -0.200 4.327 4.527 -0.000 0.000 0.300 346 F C 2.290 178.133 175.800 0.072 0.000 1.095 346 F CA 1.036 59.197 58.000 0.269 0.000 1.249 346 F CB -0.829 38.252 39.000 0.134 0.000 0.995 346 F HN 0.169 nan 8.300 nan 0.000 0.480 347 A N 0.782 123.549 122.820 -0.089 0.000 1.858 347 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 347 A C 2.342 179.760 177.584 -0.276 0.000 1.190 347 A CA 1.800 53.692 52.037 -0.241 0.000 0.617 347 A CB -1.275 17.656 19.000 -0.114 0.000 0.827 347 A HN 0.475 nan 8.150 nan 0.000 0.443 348 L N -1.655 119.437 121.223 -0.218 0.000 2.043 348 L HA -0.261 4.079 4.340 -0.000 0.000 0.212 348 L C 2.787 179.447 176.870 -0.349 0.000 1.075 348 L CA 1.906 56.613 54.840 -0.222 0.000 0.752 348 L CB -0.499 41.396 42.059 -0.274 0.000 0.891 348 L HN 0.473 nan 8.230 nan 0.000 0.432 349 M N -0.033 119.306 119.600 -0.434 0.000 2.108 349 M HA -0.206 4.274 4.480 -0.000 0.000 0.261 349 M C 2.080 178.019 176.300 -0.602 0.000 1.066 349 M CA 1.860 56.794 55.300 -0.610 0.000 1.107 349 M CB -0.465 31.677 32.600 -0.764 0.000 1.356 349 M HN 0.093 nan 8.290 nan 0.000 0.406 350 L N -0.976 119.896 121.223 -0.585 0.000 2.201 350 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 350 L C 2.407 179.050 176.870 -0.378 0.000 1.105 350 L CA 1.305 55.817 54.840 -0.547 0.000 0.775 350 L CB -0.779 40.955 42.059 -0.542 0.000 0.913 350 L HN 0.453 nan 8.230 nan 0.000 0.440 351 E N 0.392 120.371 120.200 -0.367 0.000 2.028 351 E HA -0.220 4.130 4.350 -0.000 0.000 0.190 351 E C 2.277 178.457 176.600 -0.699 0.000 0.984 351 E CA 0.740 56.956 56.400 -0.307 0.000 0.800 351 E CB 0.052 29.732 29.700 -0.034 0.000 0.758 351 E HN 0.302 nan 8.360 nan 0.000 0.448 352 L N 1.585 122.089 121.223 -1.199 0.000 1.990 352 L HA -0.204 4.136 4.340 -0.000 0.000 0.213 352 L C 2.379 178.739 176.870 -0.849 0.000 1.072 352 L CA 1.467 55.334 54.840 -1.621 0.000 0.755 352 L CB -0.876 40.411 42.059 -1.287 0.000 0.889 352 L HN 0.341 nan 8.230 nan 0.000 0.432 353 L N 0.551 121.398 121.223 -0.627 0.000 2.013 353 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 353 L C 2.736 179.473 176.870 -0.222 0.000 1.073 353 L CA 2.351 56.935 54.840 -0.427 0.000 0.753 353 L CB -1.335 40.413 42.059 -0.518 0.000 0.890 353 L HN 0.410 nan 8.230 nan 0.000 0.432 354 A N -0.792 121.938 122.820 -0.150 0.000 1.969 354 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 354 A C 2.012 179.520 177.584 -0.126 0.000 1.169 354 A CA 1.590 53.628 52.037 0.002 0.000 0.635 354 A CB -0.793 18.225 19.000 0.030 0.000 0.810 354 A HN 0.676 nan 8.150 nan 0.000 0.445 355 N N -0.868 117.661 118.700 -0.285 0.000 2.449 355 N HA -0.044 4.696 4.740 -0.000 0.000 0.191 355 N C 0.351 175.745 175.510 -0.193 0.000 1.161 355 N CA 0.211 53.112 53.050 -0.249 0.000 0.863 355 N CB 0.103 38.347 38.487 -0.404 0.000 0.980 355 N HN 0.335 nan 8.380 nan 0.000 0.458 356 E N -0.044 120.046 120.200 -0.183 0.000 2.606 356 E HA 0.008 4.358 4.350 -0.000 0.000 0.224 356 E C -0.255 176.301 176.600 -0.072 0.000 0.930 356 E CA -0.125 56.203 56.400 -0.119 0.000 1.125 356 E CB -0.201 29.406 29.700 -0.156 0.000 1.123 356 E HN 0.333 nan 8.360 nan 0.000 0.522 357 N N 1.085 119.748 118.700 -0.061 0.000 2.708 357 N HA -0.196 4.544 4.740 -0.000 0.000 0.251 357 N C -0.947 174.552 175.510 -0.018 0.000 1.017 357 N CA 0.078 53.112 53.050 -0.028 0.000 0.742 357 N CB -0.322 38.148 38.487 -0.029 0.000 0.943 357 N HN -0.112 nan 8.380 nan 0.000 0.539 358 V N 0.546 120.443 119.914 -0.029 0.000 3.001 358 V HA 0.385 4.505 4.120 -0.000 0.000 0.314 358 V C 0.333 176.416 176.094 -0.018 0.000 1.099 358 V CA -0.497 61.788 62.300 -0.025 0.000 0.989 358 V CB 1.901 33.698 31.823 -0.044 0.000 1.040 358 V HN 0.384 nan 8.190 nan 0.000 0.434 359 S N 1.516 117.215 115.700 -0.002 0.000 2.579 359 S HA 0.072 4.541 4.470 -0.000 0.000 0.275 359 S C 1.471 176.064 174.600 -0.012 0.000 1.345 359 S CA 0.290 58.495 58.200 0.008 0.000 1.031 359 S CB 1.146 64.359 63.200 0.022 0.000 0.892 359 S HN 1.231 nan 8.310 nan 0.000 0.529 360 S N 2.835 118.531 115.700 -0.007 0.000 2.382 360 S HA -0.138 4.332 4.470 -0.000 0.000 0.228 360 S C 2.102 176.803 174.600 0.169 0.000 1.027 360 S CA 0.886 59.106 58.200 0.032 0.000 0.991 360 S CB -1.403 61.837 63.200 0.066 0.000 0.823 360 S HN 1.227 nan 8.310 nan 0.000 0.469 361 A N 2.018 124.906 122.820 0.114 0.000 1.892 361 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 361 A C 2.264 179.915 177.584 0.111 0.000 1.188 361 A CA 1.932 54.035 52.037 0.109 0.000 0.631 361 A CB -0.986 18.045 19.000 0.052 0.000 0.822 361 A HN 0.780 nan 8.150 nan 0.000 0.447 362 E N -0.504 119.731 120.200 0.060 0.000 2.028 362 E HA -0.140 4.209 4.350 -0.000 0.000 0.190 362 E C 2.007 178.616 176.600 0.014 0.000 0.984 362 E CA 0.884 57.305 56.400 0.036 0.000 0.800 362 E CB -0.259 29.449 29.700 0.013 0.000 0.758 362 E HN 0.438 nan 8.360 nan 0.000 0.448 363 L N 0.571 121.767 121.223 -0.044 0.000 2.103 363 L HA -0.227 4.113 4.340 -0.000 0.000 0.215 363 L C 1.954 178.682 176.870 -0.237 0.000 1.080 363 L CA 1.823 56.559 54.840 -0.173 0.000 0.764 363 L CB -0.694 41.191 42.059 -0.289 0.000 0.890 363 L HN 0.268 nan 8.230 nan 0.000 0.435 364 F N 0.374 120.264 119.950 -0.101 0.000 2.234 364 F HA -0.129 4.398 4.527 -0.000 0.000 0.296 364 F C 2.194 177.964 175.800 -0.051 0.000 1.089 364 F CA 1.058 59.001 58.000 -0.095 0.000 1.343 364 F CB -0.192 38.766 39.000 -0.072 0.000 1.040 364 F HN 0.144 nan 8.300 nan 0.000 0.498 365 D N -0.096 120.390 120.400 0.142 0.000 2.378 365 D HA -0.117 4.523 4.640 -0.000 0.000 0.222 365 D C 1.851 178.197 176.300 0.077 0.000 0.980 365 D CA 0.498 54.557 54.000 0.099 0.000 0.907 365 D CB -0.403 40.442 40.800 0.074 0.000 0.899 365 D HN 0.216 nan 8.370 nan 0.000 0.527 366 R N 0.332 120.858 120.500 0.042 0.000 2.328 366 R HA 0.033 4.372 4.340 -0.000 0.000 0.206 366 R C -0.281 176.100 176.300 0.136 0.000 0.990 366 R CA -0.044 56.094 56.100 0.065 0.000 1.085 366 R CB -0.058 30.243 30.300 0.002 0.000 0.998 366 R HN 0.004 nan 8.270 nan 0.000 0.484 367 L N 0.054 121.335 121.223 0.097 0.000 2.301 367 L HA 0.534 4.874 4.340 -0.000 0.000 0.264 367 L C -2.289 174.699 176.870 0.197 0.000 1.016 367 L CA -2.574 52.340 54.840 0.124 0.000 0.821 367 L CB 2.138 44.202 42.059 0.008 0.000 1.346 367 L HN -0.091 nan 8.230 nan 0.000 0.429 368 P HA 0.144 nan 4.420 nan 0.000 0.269 368 P C -1.424 176.046 177.300 0.284 0.000 1.209 368 P CA -0.275 63.005 63.100 0.301 0.000 0.776 368 P CB 0.331 32.348 31.700 0.529 0.000 0.876 369 K N 3.600 124.076 120.400 0.127 0.000 2.419 369 K HA 0.220 4.539 4.320 -0.000 0.000 0.244 369 K C -1.343 175.269 176.600 0.020 0.000 1.045 369 K CA -0.463 55.866 56.287 0.069 0.000 1.004 369 K CB -0.060 32.437 32.500 -0.005 0.000 1.376 369 K HN 0.363 nan 8.250 nan 0.000 0.460 370 Y N 2.822 123.184 120.300 0.103 0.000 2.331 370 Y HA 0.244 4.793 4.550 -0.000 0.000 0.338 370 Y C -0.324 175.635 175.900 0.099 0.000 0.976 370 Y CA -0.751 57.461 58.100 0.186 0.000 1.137 370 Y CB 0.636 39.265 38.460 0.283 0.000 1.172 370 Y HN 0.341 nan 8.280 nan 0.000 0.478 371 Y N 3.169 123.564 120.300 0.159 0.000 2.336 371 Y HA 0.341 4.891 4.550 -0.000 0.000 0.331 371 Y C 0.026 175.950 175.900 0.040 0.000 1.211 371 Y CA -0.534 57.603 58.100 0.062 0.000 1.346 371 Y CB 0.568 39.035 38.460 0.011 0.000 1.271 371 Y HN 0.481 nan 8.280 nan 0.000 0.538 372 L N 2.354 123.634 121.223 0.095 0.000 2.322 372 L HA 0.846 5.186 4.340 -0.000 0.000 0.269 372 L C -1.264 175.569 176.870 -0.062 0.000 1.012 372 L CA -0.925 53.908 54.840 -0.012 0.000 0.815 372 L CB 2.011 44.030 42.059 -0.067 0.000 1.295 372 L HN 0.374 nan 8.230 nan 0.000 0.438 373 V N 4.076 123.930 119.914 -0.101 0.000 2.532 373 V HA 0.462 4.582 4.120 -0.000 0.000 0.294 373 V C -0.631 175.398 176.094 -0.110 0.000 1.036 373 V CA -0.801 61.438 62.300 -0.101 0.000 0.876 373 V CB 1.432 33.198 31.823 -0.095 0.000 1.012 373 V HN 0.863 nan 8.190 nan 0.000 0.432 374 K N 2.725 123.070 120.400 -0.092 0.000 2.306 374 K HA 0.969 5.289 4.320 -0.000 0.000 0.236 374 K C -0.807 175.763 176.600 -0.050 0.000 1.013 374 K CA -0.512 55.736 56.287 -0.066 0.000 0.857 374 K CB 2.757 35.224 32.500 -0.054 0.000 1.214 374 K HN 0.530 nan 8.250 nan 0.000 0.449 375 T N -0.336 114.201 114.554 -0.028 0.000 2.647 375 T HA 0.422 4.772 4.350 -0.000 0.000 0.302 375 T C -1.460 173.241 174.700 0.001 0.000 1.389 375 T CA -1.040 61.049 62.100 -0.019 0.000 1.037 375 T CB 1.274 70.126 68.868 -0.026 0.000 1.755 375 T HN 0.621 nan 8.240 nan 0.000 0.467 376 K N -0.164 120.239 120.400 0.006 0.000 2.575 376 K HA 0.735 5.055 4.320 -0.000 0.000 0.279 376 K C -2.014 174.598 176.600 0.019 0.000 0.969 376 K CA -0.860 55.439 56.287 0.019 0.000 0.868 376 K CB 2.903 35.416 32.500 0.022 0.000 1.457 376 K HN 0.424 nan 8.250 nan 0.000 0.426 377 V N 1.943 121.873 119.914 0.028 0.000 2.610 377 V HA 0.197 4.316 4.120 -0.000 0.000 0.288 377 V C -1.645 174.468 176.094 0.031 0.000 1.055 377 V CA -0.702 61.614 62.300 0.027 0.000 0.902 377 V CB 1.462 33.302 31.823 0.029 0.000 1.030 377 V HN 0.691 nan 8.190 nan 0.000 0.448 378 D N 4.324 124.739 120.400 0.026 0.000 2.443 378 D HA 0.130 4.770 4.640 -0.000 0.000 0.239 378 D C 0.489 176.804 176.300 0.025 0.000 1.136 378 D CA 0.353 54.368 54.000 0.026 0.000 0.879 378 D CB 1.183 41.996 40.800 0.022 0.000 1.195 378 D HN 0.705 nan 8.370 nan 0.000 0.443 379 L N 2.109 123.348 121.223 0.026 0.000 2.698 379 L HA -0.042 4.298 4.340 -0.000 0.000 0.272 379 L C 0.125 177.003 176.870 0.014 0.000 1.154 379 L CA 0.060 54.912 54.840 0.021 0.000 0.964 379 L CB -0.078 41.993 42.059 0.021 0.000 1.272 379 L HN 0.248 nan 8.230 nan 0.000 0.483 380 K N 7.108 127.514 120.400 0.011 0.000 2.164 380 K HA 0.640 4.960 4.320 -0.000 0.000 0.258 380 K C -2.613 173.988 176.600 0.003 0.000 0.951 380 K CA -1.660 54.632 56.287 0.008 0.000 0.844 380 K CB 1.421 33.926 32.500 0.008 0.000 1.099 380 K HN 0.285 nan 8.250 nan 0.000 0.435 381 P HA 0.356 nan 4.420 nan 0.000 0.282 381 P C -0.103 177.196 177.300 -0.002 0.000 1.262 381 P CA -0.047 63.053 63.100 -0.001 0.000 0.773 381 P CB 1.467 33.167 31.700 0.001 0.000 0.879 382 G N 2.175 110.971 108.800 -0.005 0.000 1.937 382 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.075 382 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.075 382 G C -1.051 173.844 174.900 -0.009 0.000 2.264 382 G CA -0.636 44.461 45.100 -0.005 0.000 1.288 382 G HN 0.557 nan 8.290 nan 0.000 0.396 383 L N 3.050 124.269 121.223 -0.008 0.000 2.385 383 L HA 0.660 5.000 4.340 -0.000 0.000 0.281 383 L C 0.885 177.740 176.870 -0.025 0.000 1.106 383 L CA -0.425 54.408 54.840 -0.011 0.000 0.856 383 L CB 0.711 42.769 42.059 -0.002 0.000 1.186 383 L HN 0.539 nan 8.230 nan 0.000 0.453 384 M N 4.244 123.821 119.600 -0.038 0.000 2.245 384 M HA 0.002 4.482 4.480 -0.000 0.000 0.330 384 M C 1.291 177.525 176.300 -0.110 0.000 1.098 384 M CA 0.489 55.751 55.300 -0.064 0.000 1.172 384 M CB 1.395 33.957 32.600 -0.063 0.000 1.467 384 M HN 0.604 nan 8.290 nan 0.000 0.454 385 V N 3.264 123.076 119.914 -0.169 0.000 2.407 385 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 385 V C 1.659 177.417 176.094 -0.560 0.000 1.055 385 V CA 2.414 64.516 62.300 -0.331 0.000 1.049 385 V CB -0.509 31.098 31.823 -0.360 0.000 0.662 385 V HN 0.969 nan 8.190 nan 0.000 0.455 386 E N 0.261 120.224 120.200 -0.395 0.000 2.333 386 E HA -0.208 4.141 4.350 -0.000 0.000 0.198 386 E C 1.936 178.451 176.600 -0.142 0.000 1.007 386 E CA 1.465 57.688 56.400 -0.296 0.000 0.845 386 E CB -0.213 29.401 29.700 -0.143 0.000 0.766 386 E HN 0.816 nan 8.360 nan 0.000 0.507 387 E N -0.268 119.863 120.200 -0.114 0.000 2.033 387 E HA -0.061 4.289 4.350 -0.000 0.000 0.189 387 E C 1.819 178.428 176.600 0.015 0.000 0.979 387 E CA 0.933 57.313 56.400 -0.033 0.000 0.802 387 E CB -0.236 29.447 29.700 -0.028 0.000 0.763 387 E HN 0.195 nan 8.360 nan 0.000 0.449 388 I N 0.778 121.353 120.570 0.008 0.000 2.091 388 I HA -0.338 3.832 4.170 -0.000 0.000 0.239 388 I C 2.275 178.548 176.117 0.260 0.000 1.061 388 I CA 1.635 63.005 61.300 0.116 0.000 1.317 388 I CB -1.628 36.453 38.000 0.134 0.000 1.031 388 I HN 0.289 nan 8.210 nan 0.000 0.401 389 Y N 1.140 121.481 120.300 0.069 0.000 2.002 389 Y HA -0.382 4.168 4.550 -0.000 0.000 0.268 389 Y C 2.838 178.787 175.900 0.082 0.000 1.177 389 Y CA 1.418 59.566 58.100 0.081 0.000 1.111 389 Y CB -0.631 37.865 38.460 0.060 0.000 0.952 389 Y HN 0.179 nan 8.280 nan 0.000 0.491 390 K N 0.523 121.066 120.400 0.239 0.000 2.077 390 K HA -0.247 4.073 4.320 -0.000 0.000 0.213 390 K C 1.898 178.574 176.600 0.127 0.000 1.051 390 K CA 1.959 58.332 56.287 0.143 0.000 0.929 390 K CB -0.178 32.374 32.500 0.088 0.000 0.715 390 K HN 0.330 nan 8.250 nan 0.000 0.451 391 K N 0.698 121.174 120.400 0.126 0.000 1.965 391 K HA -0.178 4.142 4.320 -0.000 0.000 0.220 391 K C 2.262 178.940 176.600 0.129 0.000 1.046 391 K CA 2.046 58.395 56.287 0.103 0.000 0.974 391 K CB -0.624 31.933 32.500 0.094 0.000 0.738 391 K HN 0.266 nan 8.250 nan 0.000 0.444 392 I N -0.121 120.570 120.570 0.201 0.000 2.194 392 I HA -0.285 3.885 4.170 -0.000 0.000 0.246 392 I C 2.367 178.698 176.117 0.355 0.000 1.093 392 I CA 1.285 62.779 61.300 0.324 0.000 1.355 392 I CB -0.531 37.710 38.000 0.401 0.000 1.046 392 I HN 0.043 nan 8.210 nan 0.000 0.413 393 L N 1.559 122.940 121.223 0.264 0.000 1.990 393 L HA -0.247 4.093 4.340 -0.000 0.000 0.213 393 L C 2.521 179.486 176.870 0.159 0.000 1.072 393 L CA 1.936 56.900 54.840 0.207 0.000 0.755 393 L CB -1.033 41.114 42.059 0.147 0.000 0.889 393 L HN 0.377 nan 8.230 nan 0.000 0.432 394 E N -1.004 119.260 120.200 0.107 0.000 2.028 394 E HA -0.351 3.999 4.350 -0.000 0.000 0.217 394 E C 2.124 178.735 176.600 0.019 0.000 1.039 394 E CA 2.317 58.748 56.400 0.053 0.000 0.882 394 E CB -0.972 28.744 29.700 0.027 0.000 0.794 394 E HN 0.448 nan 8.360 nan 0.000 0.488 395 V N 0.254 120.131 119.914 -0.062 0.000 2.278 395 V HA -0.305 3.815 4.120 -0.000 0.000 0.251 395 V C 1.770 177.706 176.094 -0.263 0.000 1.062 395 V CA 2.136 64.292 62.300 -0.240 0.000 1.038 395 V CB -0.508 31.029 31.823 -0.476 0.000 0.646 395 V HN 0.370 nan 8.190 nan 0.000 0.447 396 Y N -0.211 120.169 120.300 0.134 0.000 2.500 396 Y HA 0.315 4.865 4.550 -0.000 0.000 0.270 396 Y C 1.952 177.953 175.900 0.168 0.000 1.134 396 Y CA 0.734 58.950 58.100 0.194 0.000 1.293 396 Y CB -0.029 38.654 38.460 0.371 0.000 1.063 396 Y HN 0.227 nan 8.280 nan 0.000 0.534 397 S N 1.127 116.965 115.700 0.230 0.000 3.024 397 S HA 0.064 4.534 4.470 -0.000 0.000 0.316 397 S C 0.421 175.089 174.600 0.113 0.000 1.197 397 S CA -0.120 58.169 58.200 0.148 0.000 1.097 397 S CB -0.500 62.759 63.200 0.098 0.000 1.471 397 S HN 0.308 nan 8.310 nan 0.000 0.543 398 T N 2.472 117.106 114.554 0.134 0.000 2.888 398 T HA 0.350 4.700 4.350 -0.000 0.000 0.283 398 T C 1.361 176.110 174.700 0.081 0.000 1.013 398 T CA -0.456 61.707 62.100 0.104 0.000 0.938 398 T CB 0.918 69.865 68.868 0.132 0.000 1.298 398 T HN 0.433 nan 8.240 nan 0.000 0.580 399 S N 0.054 115.796 115.700 0.070 0.000 2.501 399 S HA 0.059 4.529 4.470 -0.000 0.000 0.220 399 S C 2.240 176.878 174.600 0.063 0.000 0.997 399 S CA 0.362 58.596 58.200 0.055 0.000 0.919 399 S CB -0.061 63.166 63.200 0.045 0.000 0.778 399 S HN 0.630 nan 8.310 nan 0.000 0.523 400 S N 1.739 117.491 115.700 0.086 0.000 2.335 400 S HA 0.021 4.490 4.470 -0.000 0.000 0.217 400 S C 1.227 175.883 174.600 0.094 0.000 1.032 400 S CA 0.806 59.066 58.200 0.100 0.000 0.985 400 S CB -0.616 62.669 63.200 0.141 0.000 0.896 400 S HN 0.526 nan 8.310 nan 0.000 0.445 401 V N 1.541 121.525 119.914 0.117 0.000 3.170 401 V HA 0.527 4.647 4.120 -0.000 0.000 0.309 401 V C -0.413 175.690 176.094 0.016 0.000 1.071 401 V CA -1.193 61.146 62.300 0.065 0.000 1.063 401 V CB 0.799 32.699 31.823 0.128 0.000 1.123 401 V HN 0.496 nan 8.190 nan 0.000 0.464 402 K N 1.908 122.277 120.400 -0.051 0.000 2.267 402 K HA 0.904 5.223 4.320 -0.000 0.000 0.246 402 K C -0.563 175.965 176.600 -0.121 0.000 0.954 402 K CA -0.556 55.689 56.287 -0.070 0.000 0.824 402 K CB 2.172 34.623 32.500 -0.081 0.000 1.167 402 K HN 1.081 nan 8.250 nan 0.000 0.431 403 A N 2.401 125.160 122.820 -0.101 0.000 2.322 403 A HA 0.820 5.139 4.320 -0.000 0.000 0.327 403 A C -0.828 176.664 177.584 -0.154 0.000 1.134 403 A CA -1.084 50.877 52.037 -0.126 0.000 0.831 403 A CB 0.722 19.688 19.000 -0.057 0.000 1.288 403 A HN 0.756 nan 8.150 nan 0.000 0.472 404 I N 0.947 121.409 120.570 -0.180 0.000 2.637 404 I HA 0.165 4.335 4.170 -0.000 0.000 0.285 404 I C 0.557 176.586 176.117 -0.146 0.000 1.222 404 I CA -0.145 61.052 61.300 -0.172 0.000 1.067 404 I CB 2.548 40.379 38.000 -0.282 0.000 1.279 404 I HN 0.820 nan 8.210 nan 0.000 0.441 405 T N 2.040 116.545 114.554 -0.083 0.000 3.069 405 T HA 0.182 4.532 4.350 -0.000 0.000 0.252 405 T C 1.589 176.271 174.700 -0.029 0.000 1.053 405 T CA -0.068 61.995 62.100 -0.060 0.000 0.964 405 T CB 0.210 69.078 68.868 0.000 0.000 1.005 405 T HN 0.589 nan 8.240 nan 0.000 0.532 406 I N 1.136 121.688 120.570 -0.031 0.000 2.290 406 I HA -0.176 3.994 4.170 -0.000 0.000 0.253 406 I C -0.135 175.988 176.117 0.009 0.000 1.112 406 I CA 1.737 63.036 61.300 -0.002 0.000 1.377 406 I CB 0.174 38.177 38.000 0.006 0.000 1.060 406 I HN 0.251 nan 8.210 nan 0.000 0.428 407 D N -0.331 120.058 120.400 -0.018 0.000 2.354 407 D HA 0.344 4.984 4.640 -0.000 0.000 0.230 407 D C 0.053 176.304 176.300 -0.083 0.000 1.361 407 D CA 0.865 54.864 54.000 -0.001 0.000 0.992 407 D CB 0.798 41.606 40.800 0.013 0.000 1.409 407 D HN 0.463 nan 8.370 nan 0.000 0.573 408 G N 1.743 110.466 108.800 -0.128 0.000 2.550 408 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.277 408 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.277 408 G C -0.778 173.729 174.900 -0.654 0.000 1.190 408 G CA 0.240 44.959 45.100 -0.635 0.000 0.971 408 G HN 0.927 nan 8.290 nan 0.000 0.559 409 V N 0.978 120.563 119.914 -0.547 0.000 2.623 409 V HA 0.677 4.797 4.120 -0.000 0.000 0.304 409 V C -0.017 175.908 176.094 -0.282 0.000 1.054 409 V CA -0.309 61.786 62.300 -0.340 0.000 0.882 409 V CB 1.789 33.462 31.823 -0.250 0.000 1.002 409 V HN 0.917 nan 8.190 nan 0.000 0.424 410 K N 4.233 124.440 120.400 -0.323 0.000 2.376 410 K HA 0.741 5.061 4.320 -0.000 0.000 0.257 410 K C -1.820 174.467 176.600 -0.523 0.000 0.939 410 K CA -0.665 55.379 56.287 -0.406 0.000 0.809 410 K CB 1.704 33.973 32.500 -0.386 0.000 1.121 410 K HN 0.545 nan 8.250 nan 0.000 0.425 411 I N 5.212 125.303 120.570 -0.799 0.000 2.404 411 I HA 0.387 4.557 4.170 -0.000 0.000 0.293 411 I C -0.479 175.354 176.117 -0.473 0.000 0.992 411 I CA -0.452 60.471 61.300 -0.628 0.000 1.149 411 I CB 1.746 39.320 38.000 -0.711 0.000 1.315 411 I HN 0.513 nan 8.210 nan 0.000 0.446 412 I N 5.645 125.985 120.570 -0.383 0.000 2.411 412 I HA 0.443 4.613 4.170 -0.000 0.000 0.284 412 I C 0.753 176.627 176.117 -0.406 0.000 1.012 412 I CA -0.237 60.830 61.300 -0.387 0.000 1.119 412 I CB 1.435 39.233 38.000 -0.337 0.000 1.261 412 I HN 0.738 nan 8.210 nan 0.000 0.448 413 G N 4.194 112.513 108.800 -0.801 0.000 3.348 413 G HA2 0.097 4.056 3.960 -0.000 0.000 0.180 413 G HA3 0.097 4.056 3.960 -0.000 0.000 0.180 413 G C 0.746 175.592 174.900 -0.091 0.000 1.915 413 G CA 0.317 45.135 45.100 -0.471 0.000 0.937 413 G HN 0.490 nan 8.290 nan 0.000 0.564 414 K N -1.529 118.933 120.400 0.103 0.000 2.511 414 K HA 0.204 4.524 4.320 -0.000 0.000 0.206 414 K C 0.080 176.824 176.600 0.240 0.000 1.333 414 K CA 0.556 56.943 56.287 0.167 0.000 0.957 414 K CB 0.952 33.559 32.500 0.178 0.000 1.172 414 K HN 0.245 nan 8.250 nan 0.000 0.547 415 D N 0.058 120.670 120.400 0.353 0.000 2.785 415 D HA 0.196 4.835 4.640 -0.000 0.000 0.324 415 D C -0.541 176.097 176.300 0.562 0.000 1.523 415 D CA -0.101 54.108 54.000 0.348 0.000 0.789 415 D CB 0.465 41.390 40.800 0.210 0.000 1.171 415 D HN 0.185 nan 8.370 nan 0.000 0.447 416 F N -0.843 119.372 119.950 0.441 0.000 2.978 416 F HA 0.658 5.185 4.527 -0.000 0.000 0.324 416 F C -2.191 173.873 175.800 0.440 0.000 1.157 416 F CA -1.224 57.010 58.000 0.389 0.000 0.879 416 F CB 1.398 40.516 39.000 0.197 0.000 1.364 416 F HN -0.103 nan 8.300 nan 0.000 0.465 417 W N 0.949 122.275 121.300 0.042 0.000 3.138 417 W HA 0.581 5.241 4.660 -0.000 0.000 0.332 417 W C -2.866 173.777 176.519 0.207 0.000 1.090 417 W CA -1.645 55.593 57.345 -0.178 0.000 1.091 417 W CB 0.193 29.452 29.460 -0.335 0.000 1.445 417 W HN 1.258 nan 8.180 nan 0.000 0.559 418 F N 0.256 120.192 119.950 -0.024 0.000 2.741 418 F HA 0.875 5.402 4.527 -0.000 0.000 0.313 418 F C -2.162 173.673 175.800 0.058 0.000 1.153 418 F CA -1.539 56.295 58.000 -0.277 0.000 0.931 418 F CB 1.137 39.999 39.000 -0.230 0.000 1.335 418 F HN 0.396 nan 8.300 nan 0.000 0.460 419 L N 2.099 123.425 121.223 0.173 0.000 2.516 419 L HA 0.811 5.151 4.340 -0.000 0.000 0.267 419 L C -1.927 175.018 176.870 0.124 0.000 0.957 419 L CA -0.684 54.233 54.840 0.127 0.000 0.860 419 L CB 2.018 44.217 42.059 0.233 0.000 1.265 419 L HN 0.639 nan 8.230 nan 0.000 0.403 420 V N 5.585 125.537 119.914 0.063 0.000 2.417 420 V HA 0.683 4.803 4.120 -0.000 0.000 0.291 420 V C 0.109 176.186 176.094 -0.028 0.000 1.024 420 V CA -0.523 61.812 62.300 0.058 0.000 0.861 420 V CB 1.574 33.457 31.823 0.100 0.000 0.985 420 V HN 0.810 nan 8.190 nan 0.000 0.436 421 R N 2.289 122.833 120.500 0.074 0.000 2.837 421 R HA 0.520 4.859 4.340 -0.000 0.000 0.271 421 R C -0.569 175.855 176.300 0.207 0.000 0.993 421 R CA -0.988 55.180 56.100 0.113 0.000 0.931 421 R CB 2.265 32.616 30.300 0.084 0.000 1.206 421 R HN 0.626 nan 8.270 nan 0.000 0.474 422 K N 1.493 122.043 120.400 0.251 0.000 2.319 422 K HA 0.061 4.381 4.320 -0.000 0.000 0.237 422 K C 0.737 177.412 176.600 0.126 0.000 1.113 422 K CA -0.018 56.383 56.287 0.191 0.000 1.072 422 K CB 0.433 33.052 32.500 0.198 0.000 1.734 422 K HN 0.744 nan 8.250 nan 0.000 0.429 423 S N 1.953 117.716 115.700 0.104 0.000 2.414 423 S HA -0.277 4.192 4.470 -0.000 0.000 0.241 423 S C 1.592 176.236 174.600 0.073 0.000 1.079 423 S CA 1.864 60.114 58.200 0.083 0.000 1.087 423 S CB -0.844 62.399 63.200 0.072 0.000 0.927 423 S HN 0.949 nan 8.310 nan 0.000 0.456 424 G N 0.753 109.593 108.800 0.068 0.000 5.045 424 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.229 424 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.229 424 G C 0.374 175.304 174.900 0.050 0.000 1.440 424 G CA 0.408 45.541 45.100 0.056 0.000 0.936 424 G HN 1.138 nan 8.290 nan 0.000 0.690 425 T N 2.713 117.298 114.554 0.052 0.000 2.908 425 T HA 0.423 4.773 4.350 -0.000 0.000 0.301 425 T C 0.324 175.052 174.700 0.048 0.000 1.019 425 T CA 1.126 63.255 62.100 0.049 0.000 1.152 425 T CB 0.342 69.242 68.868 0.052 0.000 0.966 425 T HN 1.013 nan 8.240 nan 0.000 0.540 426 E N 1.453 121.679 120.200 0.043 0.000 2.708 426 E HA -0.135 4.214 4.350 -0.000 0.000 0.150 426 E C -2.564 174.061 176.600 0.040 0.000 1.853 426 E CA -0.288 56.137 56.400 0.041 0.000 0.643 426 E CB -1.390 28.335 29.700 0.042 0.000 1.078 426 E HN 0.444 nan 8.360 nan 0.000 0.345 427 P HA -0.125 nan 4.420 nan 0.000 0.207 427 P C -0.536 176.786 177.300 0.037 0.000 0.945 427 P CA 1.283 64.404 63.100 0.035 0.000 1.033 427 P CB 0.056 31.773 31.700 0.028 0.000 1.023 428 I N 2.750 123.348 120.570 0.046 0.000 2.908 428 I HA 0.233 4.403 4.170 -0.000 0.000 0.300 428 I C -0.536 175.619 176.117 0.064 0.000 1.385 428 I CA -1.013 60.316 61.300 0.049 0.000 1.004 428 I CB 2.286 40.313 38.000 0.046 0.000 1.309 428 I HN -0.181 nan 8.210 nan 0.000 0.449 429 I N 4.583 125.193 120.570 0.067 0.000 2.361 429 I HA 0.286 4.456 4.170 -0.000 0.000 0.282 429 I C 0.260 176.425 176.117 0.080 0.000 1.075 429 I CA -0.252 61.103 61.300 0.092 0.000 1.205 429 I CB 0.275 38.338 38.000 0.106 0.000 1.406 429 I HN 0.270 nan 8.210 nan 0.000 0.481 430 R N 6.201 126.749 120.500 0.080 0.000 2.473 430 R HA 0.264 4.604 4.340 -0.000 0.000 0.315 430 R C -0.531 175.810 176.300 0.069 0.000 0.972 430 R CA 0.490 56.631 56.100 0.069 0.000 1.047 430 R CB 0.155 30.501 30.300 0.077 0.000 0.932 430 R HN 0.502 nan 8.270 nan 0.000 0.411 431 I N 5.734 126.332 120.570 0.047 0.000 2.439 431 I HA 0.287 4.457 4.170 -0.000 0.000 0.283 431 I C 0.005 176.122 176.117 -0.001 0.000 1.023 431 I CA -0.479 60.842 61.300 0.035 0.000 1.100 431 I CB 1.195 39.208 38.000 0.022 0.000 1.238 431 I HN 0.554 nan 8.210 nan 0.000 0.445 432 M N 5.343 124.940 119.600 -0.006 0.000 2.619 432 M HA 1.007 5.486 4.480 -0.000 0.000 0.297 432 M C -1.503 174.684 176.300 -0.188 0.000 1.229 432 M CA -0.567 54.686 55.300 -0.078 0.000 0.860 432 M CB 2.954 35.529 32.600 -0.042 0.000 1.741 432 M HN 0.464 nan 8.290 nan 0.000 0.462 433 A N 1.440 124.080 122.820 -0.300 0.000 2.605 433 A HA 0.765 5.085 4.320 -0.000 0.000 0.294 433 A C -1.837 175.497 177.584 -0.418 0.000 1.062 433 A CA -0.615 51.151 52.037 -0.452 0.000 0.682 433 A CB 1.766 20.638 19.000 -0.214 0.000 1.278 433 A HN 1.026 nan 8.150 nan 0.000 0.410 434 E N 0.404 120.277 120.200 -0.544 0.000 2.352 434 E HA 0.781 5.131 4.350 -0.000 0.000 0.280 434 E C -0.703 175.972 176.600 0.125 0.000 0.930 434 E CA -0.661 55.652 56.400 -0.146 0.000 0.765 434 E CB 2.041 31.730 29.700 -0.018 0.000 1.219 434 E HN 1.731 nan 8.360 nan 0.000 0.434 435 A N 1.776 124.770 122.820 0.290 0.000 2.569 435 A HA 0.450 4.770 4.320 -0.000 0.000 0.290 435 A C 0.048 177.769 177.584 0.229 0.000 1.136 435 A CA -0.825 51.435 52.037 0.371 0.000 0.710 435 A CB 1.628 20.785 19.000 0.262 0.000 1.303 435 A HN 0.624 nan 8.150 nan 0.000 0.413 436 K N -0.353 120.061 120.400 0.023 0.000 2.283 436 K HA -0.097 4.223 4.320 -0.000 0.000 0.202 436 K C -0.321 176.325 176.600 0.077 0.000 1.048 436 K CA 1.575 57.839 56.287 -0.039 0.000 0.948 436 K CB -0.012 32.388 32.500 -0.167 0.000 0.742 436 K HN 0.692 nan 8.250 nan 0.000 0.458 437 D N 0.520 120.923 120.400 0.006 0.000 2.303 437 D HA -0.006 4.633 4.640 -0.000 0.000 0.236 437 D C 0.671 176.868 176.300 -0.171 0.000 1.068 437 D CA -0.403 53.527 54.000 -0.117 0.000 0.830 437 D CB 1.186 41.937 40.800 -0.082 0.000 1.109 437 D HN 0.140 nan 8.370 nan 0.000 0.496 438 E N 2.519 122.461 120.200 -0.431 0.000 2.418 438 E HA -0.187 4.163 4.350 -0.000 0.000 0.197 438 E C 0.503 176.993 176.600 -0.184 0.000 1.026 438 E CA 0.722 56.934 56.400 -0.314 0.000 0.862 438 E CB 0.015 29.395 29.700 -0.533 0.000 0.799 438 E HN 0.351 nan 8.360 nan 0.000 0.518 439 N N 1.092 119.685 118.700 -0.179 0.000 2.135 439 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 439 N C 2.081 177.526 175.510 -0.109 0.000 1.027 439 N CA 1.830 54.803 53.050 -0.128 0.000 0.849 439 N CB -0.253 38.165 38.487 -0.116 0.000 1.002 439 N HN 0.280 nan 8.380 nan 0.000 0.425 440 V N -0.749 119.103 119.914 -0.102 0.000 2.287 440 V HA -0.123 3.997 4.120 -0.000 0.000 0.248 440 V C 2.096 178.122 176.094 -0.114 0.000 1.053 440 V CA 1.904 64.139 62.300 -0.108 0.000 1.027 440 V CB -1.286 30.478 31.823 -0.098 0.000 0.646 440 V HN 0.238 nan 8.190 nan 0.000 0.447 441 A N 1.246 124.024 122.820 -0.070 0.000 1.908 441 A HA -0.291 4.029 4.320 -0.000 0.000 0.218 441 A C 2.120 179.642 177.584 -0.103 0.000 1.181 441 A CA 2.605 54.607 52.037 -0.059 0.000 0.627 441 A CB -1.253 17.749 19.000 0.003 0.000 0.818 441 A HN 0.803 nan 8.150 nan 0.000 0.445 442 N N 1.250 119.893 118.700 -0.096 0.000 2.006 442 N HA -0.258 4.482 4.740 -0.000 0.000 0.196 442 N C 1.448 176.892 175.510 -0.110 0.000 1.057 442 N CA 2.584 55.575 53.050 -0.098 0.000 0.853 442 N CB -0.783 37.650 38.487 -0.090 0.000 1.051 442 N HN 0.755 nan 8.380 nan 0.000 0.423 443 N N 0.041 118.677 118.700 -0.108 0.000 2.520 443 N HA -0.136 4.604 4.740 -0.000 0.000 0.185 443 N C 2.041 177.468 175.510 -0.139 0.000 1.068 443 N CA 0.295 53.281 53.050 -0.107 0.000 0.911 443 N CB -0.260 38.173 38.487 -0.091 0.000 0.961 443 N HN 0.333 nan 8.380 nan 0.000 0.446 444 L N 0.600 121.715 121.223 -0.179 0.000 2.046 444 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 444 L C 2.347 179.023 176.870 -0.325 0.000 1.077 444 L CA 0.917 55.593 54.840 -0.272 0.000 0.747 444 L CB -0.235 41.643 42.059 -0.303 0.000 0.896 444 L HN 0.155 nan 8.230 nan 0.000 0.432 445 V N 0.434 120.199 119.914 -0.248 0.000 2.358 445 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 445 V C 2.274 178.269 176.094 -0.166 0.000 1.047 445 V CA 1.956 64.121 62.300 -0.225 0.000 1.035 445 V CB -0.506 31.223 31.823 -0.156 0.000 0.658 445 V HN 0.564 nan 8.190 nan 0.000 0.452 446 N N 0.354 118.978 118.700 -0.128 0.000 2.018 446 N HA -0.244 4.495 4.740 -0.000 0.000 0.196 446 N C 1.734 177.197 175.510 -0.078 0.000 1.043 446 N CA 2.212 55.209 53.050 -0.088 0.000 0.856 446 N CB -0.490 37.952 38.487 -0.075 0.000 1.042 446 N HN 0.626 nan 8.380 nan 0.000 0.423 447 E N 0.705 120.854 120.200 -0.086 0.000 2.086 447 E HA -0.187 4.163 4.350 -0.000 0.000 0.200 447 E C 2.182 178.764 176.600 -0.029 0.000 1.012 447 E CA 0.991 57.367 56.400 -0.040 0.000 0.812 447 E CB -0.203 29.495 29.700 -0.003 0.000 0.743 447 E HN 0.329 nan 8.360 nan 0.000 0.453 448 L N 0.591 121.750 121.223 -0.107 0.000 2.017 448 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 448 L C 2.634 179.487 176.870 -0.029 0.000 1.073 448 L CA 1.277 56.064 54.840 -0.089 0.000 0.745 448 L CB -0.462 41.459 42.059 -0.230 0.000 0.894 448 L HN 0.052 nan 8.230 nan 0.000 0.432 449 K N 0.480 120.853 120.400 -0.045 0.000 2.218 449 K HA -0.220 4.100 4.320 -0.000 0.000 0.205 449 K C 1.986 178.584 176.600 -0.004 0.000 1.046 449 K CA 1.378 57.654 56.287 -0.019 0.000 0.933 449 K CB 0.131 32.614 32.500 -0.029 0.000 0.728 449 K HN 0.233 nan 8.250 nan 0.000 0.454 450 K N 0.450 120.846 120.400 -0.007 0.000 1.974 450 K HA -0.048 4.272 4.320 -0.000 0.000 0.211 450 K C 2.015 178.625 176.600 0.016 0.000 1.039 450 K CA 1.631 57.918 56.287 0.001 0.000 0.947 450 K CB -0.263 32.235 32.500 -0.004 0.000 0.735 450 K HN 0.051 nan 8.250 nan 0.000 0.441 451 I N 1.385 121.973 120.570 0.029 0.000 2.227 451 I HA -0.364 3.806 4.170 -0.000 0.000 0.250 451 I C 2.224 178.373 176.117 0.053 0.000 1.087 451 I CA 1.302 62.630 61.300 0.046 0.000 1.352 451 I CB -0.441 37.608 38.000 0.082 0.000 1.043 451 I HN 0.050 nan 8.210 nan 0.000 0.425 452 V N 0.253 120.200 119.914 0.054 0.000 2.323 452 V HA -0.206 3.914 4.120 -0.000 0.000 0.244 452 V C 1.897 178.014 176.094 0.039 0.000 1.041 452 V CA 1.583 63.919 62.300 0.060 0.000 1.025 452 V CB -0.507 31.356 31.823 0.066 0.000 0.656 452 V HN 0.400 nan 8.190 nan 0.000 0.451 453 E N 0.237 120.452 120.200 0.026 0.000 2.461 453 E HA 0.137 4.487 4.350 -0.000 0.000 0.196 453 E C 1.356 177.964 176.600 0.014 0.000 1.129 453 E CA 0.514 56.925 56.400 0.017 0.000 0.902 453 E CB -0.364 29.342 29.700 0.010 0.000 0.963 453 E HN 0.669 nan 8.360 nan 0.000 0.503 454 G N 2.048 110.859 108.800 0.018 0.000 2.171 454 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.238 454 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.238 454 G C 0.052 174.958 174.900 0.010 0.000 1.039 454 G CA 0.417 45.525 45.100 0.013 0.000 0.759 454 G HN 0.278 nan 8.290 nan 0.000 0.501 455 K N 0.000 120.407 120.400 0.012 0.000 2.780 455 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 455 K CA 0.000 56.291 56.287 0.006 0.000 0.838 455 K CB 0.000 32.502 32.500 0.003 0.000 1.064 455 K HN 0.000 nan 8.250 nan 0.000 0.543