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 1v5b_1_F DATA FIRST_RESID 1 DATA SEQUENCE MKMKLAVLPG DGIGPEVMDA AIRVLKTVLD NDGHEAVFEN ALIGGAAIDE DATA SEQUENCE AGTPLPEETL DICRRSDAIL LGAVGGPKWD HNPASLRPEK GLLGLRKEMG DATA SEQUENCE LFANLRPVKA YATLLNASPL KRERVENVDL VIVRELTGGL YFGRPSERRG DATA SEQUENCE PGENEVVDTL AYTREEIERI IEKAFQLAQI RRKKLASVDK ANVLESSRMW DATA SEQUENCE REIAEETAKK YPDVELSHML VDSTAMQLIA NPGQFDVIVT ENMFGDILSD DATA SEQUENCE LASVITGSLG MLPSASLRSD RFGMYEPVHG SAPDIAGQGK ANPLGTVLSA DATA SEQUENCE ALMLRYSFGL EKEAAAIEKA VDDVLQDGYC TGDLQVANGK VVSTIELTDR DATA SEQUENCE LIEKLNN 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 0.000 176.310 176.300 0.016 0.000 1.140 1 M CA 0.000 55.406 55.300 0.176 0.000 0.988 1 M CB 0.000 32.660 32.600 0.101 0.000 1.302 2 K N 2.054 122.447 120.400 -0.011 0.000 2.172 2 K HA 0.771 5.091 4.320 -0.000 0.000 0.276 2 K C -0.858 175.693 176.600 -0.082 0.000 1.013 2 K CA -0.111 56.147 56.287 -0.048 0.000 0.913 2 K CB 1.073 33.564 32.500 -0.015 0.000 1.055 2 K HN 0.470 nan 8.250 nan 0.000 0.461 3 M N 0.999 120.509 119.600 -0.150 0.000 2.294 3 M HA 0.369 4.849 4.480 -0.000 0.000 0.280 3 M C -1.460 174.747 176.300 -0.155 0.000 1.085 3 M CA -1.129 54.084 55.300 -0.144 0.000 0.969 3 M CB 1.869 34.181 32.600 -0.479 0.000 1.770 3 M HN 0.138 nan 8.290 nan 0.000 0.485 4 K N 5.018 125.400 120.400 -0.031 0.000 2.263 4 K HA 0.734 5.054 4.320 -0.000 0.000 0.272 4 K C -1.423 175.180 176.600 0.006 0.000 1.033 4 K CA -0.319 55.941 56.287 -0.045 0.000 0.884 4 K CB 1.461 33.970 32.500 0.014 0.000 1.107 4 K HN 0.902 nan 8.250 nan 0.000 0.460 5 L N 1.667 122.851 121.223 -0.065 0.000 2.341 5 L HA 0.546 4.886 4.340 -0.000 0.000 0.278 5 L C -0.071 176.867 176.870 0.113 0.000 1.005 5 L CA -1.216 53.647 54.840 0.039 0.000 0.818 5 L CB 2.070 44.132 42.059 0.005 0.000 1.259 5 L HN 0.680 nan 8.230 nan 0.000 0.418 6 A N 3.228 126.129 122.820 0.134 0.000 2.320 6 A HA 0.622 4.942 4.320 -0.000 0.000 0.287 6 A C -0.316 177.351 177.584 0.138 0.000 1.181 6 A CA -0.352 51.765 52.037 0.133 0.000 0.831 6 A CB 0.684 19.764 19.000 0.134 0.000 1.102 6 A HN 0.444 nan 8.150 nan 0.000 0.513 7 V N 4.560 124.553 119.914 0.132 0.000 2.293 7 V HA 0.243 4.363 4.120 -0.000 0.000 0.275 7 V C -0.844 175.292 176.094 0.070 0.000 1.021 7 V CA -0.144 62.222 62.300 0.110 0.000 0.815 7 V CB 0.764 32.652 31.823 0.109 0.000 1.025 7 V HN 0.678 nan 8.190 nan 0.000 0.448 8 L N 9.236 130.494 121.223 0.058 0.000 2.426 8 L HA 0.401 4.741 4.340 -0.000 0.000 0.255 8 L C -1.044 175.841 176.870 0.025 0.000 1.080 8 L CA -1.466 53.396 54.840 0.037 0.000 0.960 8 L CB 1.087 43.166 42.059 0.033 0.000 1.326 8 L HN 0.334 nan 8.230 nan 0.000 0.441 9 P HA -0.073 nan 4.420 nan 0.000 0.215 9 P C 0.817 178.125 177.300 0.014 0.000 1.157 9 P CA 1.454 64.565 63.100 0.019 0.000 0.868 9 P CB 0.534 32.244 31.700 0.016 0.000 0.788 10 G N 0.525 109.327 108.800 0.004 0.000 2.632 10 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.224 10 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.224 10 G C -0.929 173.975 174.900 0.006 0.000 1.341 10 G CA -0.041 45.053 45.100 -0.011 0.000 0.880 10 G HN 0.293 nan 8.290 nan 0.000 0.566 11 D N 0.851 121.254 120.400 0.006 0.000 2.466 11 D HA 0.536 5.176 4.640 -0.000 0.000 0.262 11 D C 1.486 177.839 176.300 0.089 0.000 1.177 11 D CA 0.934 54.972 54.000 0.063 0.000 1.035 11 D CB 0.201 41.048 40.800 0.078 0.000 1.105 11 D HN 1.876 nan 8.370 nan 0.000 0.551 12 G N 0.720 109.594 108.800 0.124 0.000 2.614 12 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.303 12 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.303 12 G C 1.051 175.995 174.900 0.074 0.000 1.270 12 G CA 0.659 45.819 45.100 0.100 0.000 0.988 12 G HN 0.758 nan 8.290 nan 0.000 0.551 13 I N 0.342 120.952 120.570 0.068 0.000 3.334 13 I HA 0.282 4.452 4.170 -0.000 0.000 0.282 13 I C 2.216 178.374 176.117 0.069 0.000 1.313 13 I CA 1.517 62.849 61.300 0.054 0.000 1.396 13 I CB -0.896 37.124 38.000 0.033 0.000 1.054 13 I HN 0.659 nan 8.210 nan 0.000 0.495 14 G N 3.319 112.166 108.800 0.078 0.000 2.553 14 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.218 14 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.218 14 G C -0.195 174.734 174.900 0.048 0.000 1.195 14 G CA 1.244 46.385 45.100 0.069 0.000 0.779 14 G HN 0.451 nan 8.290 nan 0.000 0.577 15 P HA 0.004 nan 4.420 nan 0.000 0.230 15 P C 1.132 178.441 177.300 0.016 0.000 1.158 15 P CA 1.042 64.156 63.100 0.024 0.000 0.769 15 P CB 0.162 31.877 31.700 0.025 0.000 0.807 16 E N 0.152 120.365 120.200 0.022 0.000 2.042 16 E HA -0.065 4.285 4.350 -0.000 0.000 0.189 16 E C 2.043 178.649 176.600 0.010 0.000 0.974 16 E CA 1.205 57.612 56.400 0.011 0.000 0.806 16 E CB -0.415 29.292 29.700 0.011 0.000 0.769 16 E HN 0.118 nan 8.360 nan 0.000 0.451 17 V N -0.545 119.388 119.914 0.031 0.000 2.913 17 V HA -0.140 3.980 4.120 -0.000 0.000 0.260 17 V C 2.105 178.216 176.094 0.029 0.000 1.098 17 V CA 1.241 63.565 62.300 0.040 0.000 1.121 17 V CB -0.269 31.614 31.823 0.099 0.000 0.714 17 V HN 0.128 nan 8.190 nan 0.000 0.487 18 M N 1.117 120.729 119.600 0.019 0.000 2.287 18 M HA 0.045 4.525 4.480 -0.000 0.000 0.266 18 M C 1.707 177.989 176.300 -0.031 0.000 1.079 18 M CA 1.665 56.967 55.300 0.002 0.000 1.146 18 M CB -0.626 31.978 32.600 0.006 0.000 1.374 18 M HN 0.350 nan 8.290 nan 0.000 0.435 19 D N -0.083 120.297 120.400 -0.033 0.000 2.149 19 D HA -0.053 4.587 4.640 -0.000 0.000 0.201 19 D C 1.838 178.103 176.300 -0.058 0.000 0.972 19 D CA 1.388 55.353 54.000 -0.058 0.000 0.835 19 D CB 0.059 40.831 40.800 -0.046 0.000 0.966 19 D HN 0.471 nan 8.370 nan 0.000 0.476 20 A N 1.704 124.502 122.820 -0.036 0.000 1.865 20 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 20 A C 2.390 179.951 177.584 -0.038 0.000 1.191 20 A CA 2.258 54.275 52.037 -0.034 0.000 0.623 20 A CB -0.773 18.215 19.000 -0.021 0.000 0.826 20 A HN 0.241 nan 8.150 nan 0.000 0.444 21 A N -0.030 122.774 122.820 -0.028 0.000 1.865 21 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 21 A C 2.157 179.709 177.584 -0.054 0.000 1.191 21 A CA 1.701 53.723 52.037 -0.025 0.000 0.623 21 A CB -0.741 18.255 19.000 -0.006 0.000 0.826 21 A HN 0.510 nan 8.150 nan 0.000 0.444 22 I N -0.989 119.522 120.570 -0.098 0.000 2.208 22 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 22 I C 2.810 178.829 176.117 -0.163 0.000 1.097 22 I CA 1.492 62.677 61.300 -0.191 0.000 1.363 22 I CB -0.416 37.380 38.000 -0.340 0.000 1.051 22 I HN 0.350 nan 8.210 nan 0.000 0.413 23 R N 0.203 120.632 120.500 -0.118 0.000 2.097 23 R HA -0.188 4.152 4.340 -0.000 0.000 0.236 23 R C 2.309 178.575 176.300 -0.058 0.000 1.135 23 R CA 1.823 57.870 56.100 -0.087 0.000 0.934 23 R CB -0.715 29.546 30.300 -0.065 0.000 0.846 23 R HN 0.211 nan 8.270 nan 0.000 0.431 24 V N 1.408 121.296 119.914 -0.044 0.000 2.255 24 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 24 V C 2.305 178.393 176.094 -0.010 0.000 1.051 24 V CA 1.781 64.067 62.300 -0.024 0.000 1.018 24 V CB -0.561 31.251 31.823 -0.019 0.000 0.641 24 V HN 0.257 nan 8.190 nan 0.000 0.445 25 L N 0.073 121.290 121.223 -0.009 0.000 1.997 25 L HA -0.247 4.093 4.340 -0.000 0.000 0.216 25 L C 2.454 179.359 176.870 0.059 0.000 1.074 25 L CA 2.095 56.951 54.840 0.027 0.000 0.763 25 L CB -0.774 41.317 42.059 0.053 0.000 0.890 25 L HN 0.249 nan 8.230 nan 0.000 0.434 26 K N -1.166 119.259 120.400 0.042 0.000 2.015 26 K HA -0.259 4.061 4.320 -0.000 0.000 0.216 26 K C 2.054 178.684 176.600 0.050 0.000 1.052 26 K CA 2.482 58.812 56.287 0.073 0.000 0.937 26 K CB -0.719 31.783 32.500 0.003 0.000 0.719 26 K HN 0.693 nan 8.250 nan 0.000 0.446 27 T N -0.436 114.130 114.554 0.019 0.000 2.684 27 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 27 T C 2.063 176.776 174.700 0.022 0.000 1.036 27 T CA 1.717 63.825 62.100 0.014 0.000 1.148 27 T CB -0.701 68.168 68.868 0.001 0.000 0.863 27 T HN -0.016 nan 8.240 nan 0.000 0.436 28 V N 1.902 121.831 119.914 0.025 0.000 2.324 28 V HA -0.127 3.993 4.120 -0.000 0.000 0.250 28 V C 2.846 178.979 176.094 0.064 0.000 1.060 28 V CA 1.997 64.317 62.300 0.033 0.000 1.042 28 V CB -0.761 31.076 31.823 0.024 0.000 0.650 28 V HN 0.524 nan 8.190 nan 0.000 0.450 29 L N -0.453 120.815 121.223 0.074 0.000 2.156 29 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 29 L C 2.394 179.300 176.870 0.059 0.000 1.095 29 L CA 1.473 56.385 54.840 0.120 0.000 0.770 29 L CB -0.637 41.472 42.059 0.084 0.000 0.914 29 L HN 0.372 nan 8.230 nan 0.000 0.439 30 D N 0.614 121.034 120.400 0.034 0.000 2.103 30 D HA -0.154 4.486 4.640 -0.000 0.000 0.199 30 D C 1.604 177.891 176.300 -0.021 0.000 0.978 30 D CA 0.994 54.996 54.000 0.004 0.000 0.829 30 D CB 0.012 40.819 40.800 0.012 0.000 0.981 30 D HN 0.237 nan 8.370 nan 0.000 0.464 31 N N 0.945 119.639 118.700 -0.010 0.000 2.609 31 N HA -0.084 4.656 4.740 -0.000 0.000 0.190 31 N C 0.268 175.752 175.510 -0.043 0.000 1.157 31 N CA 0.693 53.732 53.050 -0.019 0.000 0.918 31 N CB 0.177 38.662 38.487 -0.003 0.000 0.978 31 N HN 0.393 nan 8.380 nan 0.000 0.448 32 D N -1.663 118.689 120.400 -0.080 0.000 2.525 32 D HA 0.144 4.784 4.640 -0.000 0.000 0.231 32 D C 1.088 177.163 176.300 -0.376 0.000 1.216 32 D CA 0.201 54.080 54.000 -0.202 0.000 0.813 32 D CB 1.014 41.724 40.800 -0.151 0.000 1.108 32 D HN 0.192 nan 8.370 nan 0.000 0.524 33 G N 1.687 110.361 108.800 -0.211 0.000 2.228 33 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.270 33 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.270 33 G C 0.443 175.237 174.900 -0.177 0.000 0.976 33 G CA 0.207 45.200 45.100 -0.177 0.000 0.636 33 G HN 0.426 nan 8.290 nan 0.000 0.542 34 H N 1.303 120.338 119.070 -0.058 0.000 3.214 34 H HA 0.141 4.697 4.556 -0.000 0.000 0.291 34 H C 0.801 176.071 175.328 -0.097 0.000 0.926 34 H CA 1.053 57.046 56.048 -0.092 0.000 1.409 34 H CB 0.453 30.134 29.762 -0.135 0.000 1.406 34 H HN 0.626 nan 8.280 nan 0.000 0.561 35 E N 2.248 122.452 120.200 0.007 0.000 2.052 35 E HA 0.452 4.802 4.350 -0.000 0.000 0.283 35 E C -0.938 175.599 176.600 -0.106 0.000 1.071 35 E CA -0.727 55.650 56.400 -0.038 0.000 0.851 35 E CB 0.327 30.008 29.700 -0.032 0.000 1.066 35 E HN 0.674 nan 8.360 nan 0.000 0.396 36 A N 3.824 126.546 122.820 -0.164 0.000 2.355 36 A HA 0.588 4.908 4.320 -0.000 0.000 0.324 36 A C -0.994 176.328 177.584 -0.436 0.000 1.117 36 A CA -0.680 51.135 52.037 -0.371 0.000 0.785 36 A CB 1.711 20.378 19.000 -0.554 0.000 1.254 36 A HN 0.433 nan 8.150 nan 0.000 0.453 37 V N 2.106 121.731 119.914 -0.481 0.000 2.448 37 V HA 0.510 4.630 4.120 -0.000 0.000 0.295 37 V C -1.089 174.753 176.094 -0.420 0.000 1.025 37 V CA -0.223 61.893 62.300 -0.306 0.000 0.859 37 V CB 0.960 32.710 31.823 -0.122 0.000 0.988 37 V HN 0.713 nan 8.190 nan 0.000 0.431 38 F N 2.245 122.200 119.950 0.010 0.000 2.458 38 F HA 0.605 5.132 4.527 -0.000 0.000 0.330 38 F C 0.588 176.402 175.800 0.022 0.000 1.082 38 F CA -0.572 57.438 58.000 0.016 0.000 0.995 38 F CB 1.662 40.667 39.000 0.008 0.000 1.170 38 F HN 0.499 nan 8.300 nan 0.000 0.478 39 E N 2.705 123.026 120.200 0.202 0.000 3.832 39 E HA 0.067 4.417 4.350 -0.000 0.000 0.250 39 E C -0.995 175.670 176.600 0.109 0.000 1.215 39 E CA -0.575 55.900 56.400 0.125 0.000 1.179 39 E CB 0.166 29.918 29.700 0.086 0.000 1.270 39 E HN 0.726 nan 8.360 nan 0.000 0.405 40 N N 0.965 119.731 118.700 0.109 0.000 2.345 40 N HA 0.028 4.768 4.740 -0.000 0.000 0.243 40 N C -0.550 174.995 175.510 0.059 0.000 1.246 40 N CA 0.440 53.538 53.050 0.080 0.000 0.863 40 N CB 1.189 39.710 38.487 0.057 0.000 1.096 40 N HN 0.233 nan 8.380 nan 0.000 0.446 41 A N 0.720 123.571 122.820 0.050 0.000 2.486 41 A HA 0.648 4.968 4.320 -0.000 0.000 0.289 41 A C -0.933 176.665 177.584 0.024 0.000 1.176 41 A CA -0.892 51.167 52.037 0.037 0.000 0.757 41 A CB 0.876 19.900 19.000 0.040 0.000 1.337 41 A HN 0.621 nan 8.150 nan 0.000 0.423 42 L N -0.216 121.014 121.223 0.012 0.000 2.307 42 L HA 0.854 5.194 4.340 -0.000 0.000 0.284 42 L C -0.303 176.554 176.870 -0.021 0.000 1.023 42 L CA -0.460 54.377 54.840 -0.004 0.000 0.810 42 L CB 0.334 42.390 42.059 -0.006 0.000 1.231 42 L HN 0.738 nan 8.230 nan 0.000 0.423 43 I N 0.619 121.167 120.570 -0.038 0.000 3.294 43 I HA 0.889 5.059 4.170 -0.000 0.000 0.311 43 I C 0.957 177.007 176.117 -0.111 0.000 1.111 43 I CA 0.039 61.304 61.300 -0.058 0.000 0.976 43 I CB 2.022 40.001 38.000 -0.035 0.000 1.260 43 I HN 0.991 nan 8.210 nan 0.000 0.474 44 G N 1.627 110.345 108.800 -0.137 0.000 2.578 44 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.275 44 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.275 44 G C 0.799 175.466 174.900 -0.387 0.000 1.271 44 G CA 0.232 45.197 45.100 -0.225 0.000 0.941 44 G HN 1.382 nan 8.290 nan 0.000 0.564 45 G N -0.396 107.999 108.800 -0.674 0.000 2.532 45 G HA2 0.136 4.096 3.960 -0.000 0.000 0.222 45 G HA3 0.136 4.096 3.960 -0.000 0.000 0.222 45 G C 2.045 176.526 174.900 -0.697 0.000 1.102 45 G CA 2.987 47.280 45.100 -1.345 0.000 0.742 45 G HN 1.894 nan 8.290 nan 0.000 0.577 46 A N 1.107 123.732 122.820 -0.325 0.000 1.855 46 A HA 0.341 4.661 4.320 -0.000 0.000 0.215 46 A C 2.853 180.388 177.584 -0.082 0.000 1.191 46 A CA 2.150 54.125 52.037 -0.103 0.000 0.613 46 A CB -0.872 18.098 19.000 -0.050 0.000 0.829 46 A HN 0.802 nan 8.150 nan 0.000 0.442 47 A N -0.057 122.697 122.820 -0.110 0.000 1.933 47 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 47 A C 2.095 179.636 177.584 -0.071 0.000 1.175 47 A CA 1.455 53.449 52.037 -0.071 0.000 0.628 47 A CB -0.658 18.300 19.000 -0.070 0.000 0.814 47 A HN 0.496 nan 8.150 nan 0.000 0.444 48 I N -0.032 120.452 120.570 -0.143 0.000 2.248 48 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 48 I C 1.457 177.579 176.117 0.009 0.000 1.107 48 I CA 1.774 63.011 61.300 -0.106 0.000 1.373 48 I CB -0.482 37.365 38.000 -0.256 0.000 1.055 48 I HN 0.267 nan 8.210 nan 0.000 0.418 49 D N 0.063 120.492 120.400 0.049 0.000 2.312 49 D HA -0.111 4.529 4.640 -0.000 0.000 0.211 49 D C 1.999 178.343 176.300 0.073 0.000 0.964 49 D CA 0.763 54.839 54.000 0.128 0.000 0.877 49 D CB 0.044 40.964 40.800 0.199 0.000 0.924 49 D HN 0.315 nan 8.370 nan 0.000 0.515 50 E N -0.996 119.227 120.200 0.038 0.000 2.465 50 E HA 0.280 4.630 4.350 -0.000 0.000 0.209 50 E C 0.520 177.132 176.600 0.020 0.000 0.951 50 E CA 0.047 56.465 56.400 0.029 0.000 0.997 50 E CB 0.898 30.611 29.700 0.021 0.000 1.025 50 E HN 0.125 nan 8.360 nan 0.000 0.500 51 A N -0.607 122.221 122.820 0.013 0.000 2.622 51 A HA 0.418 4.738 4.320 -0.000 0.000 0.283 51 A C 1.176 178.766 177.584 0.009 0.000 0.998 51 A CA 0.484 52.527 52.037 0.009 0.000 0.985 51 A CB 0.292 19.292 19.000 0.001 0.000 1.236 51 A HN 0.153 nan 8.150 nan 0.000 0.559 52 G N 0.407 109.218 108.800 0.019 0.000 2.200 52 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.268 52 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.268 52 G C 0.466 175.369 174.900 0.006 0.000 0.986 52 G CA 1.548 46.663 45.100 0.025 0.000 0.677 52 G HN 1.914 nan 8.290 nan 0.000 0.532 53 T N -3.735 110.810 114.554 -0.015 0.000 2.912 53 T HA 0.706 5.056 4.350 -0.000 0.000 0.299 53 T C -1.512 173.153 174.700 -0.059 0.000 1.052 53 T CA -0.921 61.161 62.100 -0.029 0.000 0.996 53 T CB 3.265 72.123 68.868 -0.017 0.000 1.070 53 T HN -0.073 nan 8.240 nan 0.000 0.465 54 P HA 0.090 nan 4.420 nan 0.000 0.226 54 P C 0.328 177.584 177.300 -0.073 0.000 1.153 54 P CA 0.274 63.309 63.100 -0.109 0.000 0.777 54 P CB 0.252 31.882 31.700 -0.118 0.000 0.794 55 L N 1.453 122.649 121.223 -0.045 0.000 2.551 55 L HA 0.473 4.813 4.340 -0.000 0.000 0.248 55 L C -2.536 174.325 176.870 -0.015 0.000 1.509 55 L CA -2.533 52.291 54.840 -0.027 0.000 0.842 55 L CB 0.660 42.708 42.059 -0.018 0.000 1.087 55 L HN -0.240 nan 8.230 nan 0.000 0.512 56 P HA -0.031 nan 4.420 nan 0.000 0.270 56 P C 0.242 177.541 177.300 -0.000 0.000 1.221 56 P CA 0.179 63.275 63.100 -0.006 0.000 0.788 56 P CB 1.099 32.796 31.700 -0.005 0.000 0.904 57 E N 0.244 120.445 120.200 0.002 0.000 2.274 57 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 57 E C 1.889 178.493 176.600 0.007 0.000 0.996 57 E CA 0.953 57.355 56.400 0.004 0.000 0.840 57 E CB -0.291 29.410 29.700 0.003 0.000 0.772 57 E HN 0.513 nan 8.360 nan 0.000 0.491 58 E N -0.770 119.435 120.200 0.008 0.000 2.038 58 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 58 E C 1.606 178.216 176.600 0.017 0.000 1.000 58 E CA 1.903 58.310 56.400 0.012 0.000 0.803 58 E CB 0.003 29.710 29.700 0.012 0.000 0.750 58 E HN 0.251 nan 8.360 nan 0.000 0.448 59 T N 1.556 116.120 114.554 0.016 0.000 2.720 59 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 59 T C 1.917 176.636 174.700 0.031 0.000 1.037 59 T CA 1.090 63.205 62.100 0.025 0.000 1.144 59 T CB -0.252 68.627 68.868 0.018 0.000 0.864 59 T HN 0.128 nan 8.240 nan 0.000 0.444 60 L N 1.014 122.250 121.223 0.021 0.000 1.971 60 L HA -0.195 4.145 4.340 -0.000 0.000 0.215 60 L C 2.632 179.513 176.870 0.017 0.000 1.072 60 L CA 1.538 56.390 54.840 0.019 0.000 0.758 60 L CB -0.767 41.296 42.059 0.007 0.000 0.889 60 L HN 0.184 nan 8.230 nan 0.000 0.433 61 D N 0.300 120.708 120.400 0.013 0.000 2.126 61 D HA -0.221 4.419 4.640 -0.000 0.000 0.190 61 D C 2.217 178.532 176.300 0.024 0.000 1.001 61 D CA 1.556 55.563 54.000 0.011 0.000 0.841 61 D CB -0.288 40.519 40.800 0.011 0.000 0.949 61 D HN 0.332 nan 8.370 nan 0.000 0.446 62 I N 0.446 121.038 120.570 0.036 0.000 2.151 62 I HA -0.322 3.848 4.170 -0.000 0.000 0.243 62 I C 2.641 178.804 176.117 0.076 0.000 1.080 62 I CA 0.830 62.161 61.300 0.053 0.000 1.339 62 I CB -0.328 37.705 38.000 0.056 0.000 1.039 62 I HN 0.103 nan 8.210 nan 0.000 0.409 63 C N 0.624 119.975 119.300 0.085 0.000 2.453 63 C HA -0.103 4.357 4.460 -0.000 0.000 0.277 63 C C 2.881 177.930 174.990 0.098 0.000 1.262 63 C CA 0.656 59.759 59.018 0.143 0.000 1.718 63 C CB -1.121 26.710 27.740 0.152 0.000 2.031 63 C HN 0.415 nan 8.230 nan 0.000 0.480 64 R N 0.371 120.871 120.500 0.001 0.000 2.193 64 R HA -0.133 4.207 4.340 -0.000 0.000 0.229 64 R C 2.239 178.504 176.300 -0.059 0.000 1.110 64 R CA 1.075 57.119 56.100 -0.093 0.000 0.988 64 R CB -0.323 29.932 30.300 -0.075 0.000 0.871 64 R HN 0.559 nan 8.270 nan 0.000 0.458 65 R N 0.616 121.123 120.500 0.011 0.000 2.246 65 R HA 0.067 4.407 4.340 -0.000 0.000 0.199 65 R C 0.031 176.376 176.300 0.076 0.000 0.984 65 R CA 0.368 56.486 56.100 0.030 0.000 1.015 65 R CB 0.403 30.723 30.300 0.033 0.000 0.930 65 R HN -0.005 nan 8.270 nan 0.000 0.475 66 S N 0.065 115.851 115.700 0.144 0.000 2.707 66 S HA 0.144 4.614 4.470 -0.000 0.000 0.276 66 S C -0.095 174.716 174.600 0.352 0.000 1.179 66 S CA -0.836 57.497 58.200 0.221 0.000 0.992 66 S CB 1.313 64.655 63.200 0.236 0.000 1.030 66 S HN 0.173 nan 8.310 nan 0.000 0.554 67 D N 0.172 120.752 120.400 0.300 0.000 2.338 67 D HA 0.390 5.030 4.640 -0.000 0.000 0.208 67 D C 0.292 176.655 176.300 0.103 0.000 0.997 67 D CA 0.522 54.698 54.000 0.293 0.000 0.880 67 D CB 0.487 41.457 40.800 0.283 0.000 0.980 67 D HN 0.519 nan 8.370 nan 0.000 0.509 68 A N 0.188 123.028 122.820 0.034 0.000 2.612 68 A HA 0.650 4.970 4.320 -0.000 0.000 0.293 68 A C -1.633 175.912 177.584 -0.066 0.000 1.075 68 A CA -0.596 51.319 52.037 -0.204 0.000 0.680 68 A CB 1.180 20.183 19.000 0.006 0.000 1.279 68 A HN -0.002 nan 8.150 nan 0.000 0.411 69 I N 1.186 121.704 120.570 -0.087 0.000 2.436 69 I HA 0.414 4.584 4.170 -0.000 0.000 0.289 69 I C -0.857 175.335 176.117 0.126 0.000 1.010 69 I CA -0.353 60.970 61.300 0.038 0.000 1.098 69 I CB 1.726 39.735 38.000 0.014 0.000 1.266 69 I HN 0.514 nan 8.210 nan 0.000 0.434 70 L N 6.898 128.197 121.223 0.126 0.000 2.317 70 L HA 0.657 4.997 4.340 -0.000 0.000 0.281 70 L C -0.992 175.930 176.870 0.086 0.000 1.024 70 L CA -0.696 54.221 54.840 0.129 0.000 0.810 70 L CB 2.101 44.231 42.059 0.119 0.000 1.240 70 L HN 0.509 nan 8.230 nan 0.000 0.427 71 L N 1.931 123.195 121.223 0.068 0.000 2.445 71 L HA 0.571 4.911 4.340 -0.000 0.000 0.262 71 L C 0.392 177.271 176.870 0.015 0.000 0.974 71 L CA -0.303 54.558 54.840 0.035 0.000 0.822 71 L CB 2.100 44.170 42.059 0.019 0.000 1.339 71 L HN 0.646 nan 8.230 nan 0.000 0.409 72 G N 2.328 111.135 108.800 0.012 0.000 2.535 72 G HA2 0.602 4.562 3.960 -0.000 0.000 0.210 72 G HA3 0.602 4.562 3.960 -0.000 0.000 0.210 72 G C -0.179 174.708 174.900 -0.021 0.000 1.593 72 G CA 0.577 45.682 45.100 0.009 0.000 0.948 72 G HN 0.928 nan 8.290 nan 0.000 0.476 73 A N -1.946 120.875 122.820 0.001 0.000 2.608 73 A HA 0.634 4.954 4.320 -0.000 0.000 0.292 73 A C -0.759 176.827 177.584 0.002 0.000 1.066 73 A CA 0.124 52.158 52.037 -0.005 0.000 0.676 73 A CB 0.986 19.996 19.000 0.017 0.000 1.277 73 A HN 1.706 nan 8.150 nan 0.000 0.413 74 V N -1.449 118.460 119.914 -0.008 0.000 3.166 74 V HA 1.032 5.152 4.120 -0.000 0.000 0.317 74 V C 0.451 176.547 176.094 0.003 0.000 1.136 74 V CA -0.132 62.150 62.300 -0.030 0.000 1.035 74 V CB 0.982 32.763 31.823 -0.070 0.000 1.110 74 V HN 2.983 nan 8.190 nan 0.000 0.450 75 G N -1.007 107.786 108.800 -0.011 0.000 2.650 75 G HA2 0.524 4.484 3.960 -0.000 0.000 0.686 75 G HA3 0.524 4.484 3.960 -0.000 0.000 0.686 75 G C -0.146 174.898 174.900 0.241 0.000 1.205 75 G CA -0.242 44.910 45.100 0.088 0.000 0.781 75 G HN 2.710 nan 8.290 nan 0.000 0.648 76 G N 0.096 109.112 108.800 0.360 0.000 2.441 76 G HA2 0.871 4.831 3.960 -0.000 0.000 0.294 76 G HA3 0.871 4.831 3.960 -0.000 0.000 0.294 76 G C -1.984 173.050 174.900 0.224 0.000 1.393 76 G CA 0.536 45.848 45.100 0.353 0.000 0.796 76 G HN 0.874 nan 8.290 nan 0.000 0.494 77 P HA 0.055 nan 4.420 nan 0.000 0.228 77 P C 1.384 178.606 177.300 -0.130 0.000 1.166 77 P CA 0.569 63.655 63.100 -0.025 0.000 0.812 77 P CB 0.464 32.138 31.700 -0.044 0.000 0.857 78 K N 0.114 120.275 120.400 -0.400 0.000 2.059 78 K HA -0.127 4.193 4.320 -0.000 0.000 0.212 78 K C 0.405 176.670 176.600 -0.558 0.000 1.050 78 K CA 1.329 57.182 56.287 -0.723 0.000 0.927 78 K CB -0.170 31.417 32.500 -1.521 0.000 0.714 78 K HN 0.185 nan 8.250 nan 0.000 0.447 79 W N 1.734 123.054 121.300 0.033 0.000 2.147 79 W HA 0.195 4.855 4.660 -0.000 0.000 0.325 79 W C -0.861 175.664 176.519 0.010 0.000 0.855 79 W CA -0.717 56.648 57.345 0.033 0.000 1.642 79 W CB 0.366 29.840 29.460 0.023 0.000 1.750 79 W HN 0.135 nan 8.180 nan 0.000 0.359 80 D N -1.208 119.269 120.400 0.129 0.000 2.539 80 D HA 0.007 4.647 4.640 -0.000 0.000 0.232 80 D C 1.407 177.645 176.300 -0.102 0.000 1.256 80 D CA 0.161 54.165 54.000 0.007 0.000 0.810 80 D CB 0.203 40.958 40.800 -0.074 0.000 1.090 80 D HN 0.274 nan 8.370 nan 0.000 0.519 81 H N 0.005 119.107 119.070 0.053 0.000 2.740 81 H HA 0.224 4.780 4.556 -0.000 0.000 0.265 81 H C -0.035 175.320 175.328 0.044 0.000 0.978 81 H CA 0.230 56.297 56.048 0.032 0.000 1.198 81 H CB 0.667 30.435 29.762 0.011 0.000 1.467 81 H HN 0.146 nan 8.280 nan 0.000 0.511 82 N N 2.168 120.970 118.700 0.169 0.000 2.489 82 N HA 0.198 4.938 4.740 -0.000 0.000 0.284 82 N C -2.577 172.983 175.510 0.083 0.000 1.158 82 N CA -1.878 51.246 53.050 0.124 0.000 0.965 82 N CB 0.145 38.715 38.487 0.138 0.000 1.195 82 N HN -0.037 nan 8.380 nan 0.000 0.506 83 P HA 0.017 nan 4.420 nan 0.000 0.269 83 P C 0.402 177.718 177.300 0.026 0.000 1.215 83 P CA -0.212 62.909 63.100 0.035 0.000 0.780 83 P CB 0.556 32.272 31.700 0.026 0.000 0.898 84 A N 3.451 126.277 122.820 0.011 0.000 1.883 84 A HA -0.302 4.018 4.320 -0.000 0.000 0.222 84 A C 2.204 179.786 177.584 -0.004 0.000 1.339 84 A CA 3.503 55.540 52.037 -0.001 0.000 0.692 84 A CB -2.186 16.806 19.000 -0.014 0.000 0.845 84 A HN 0.709 nan 8.150 nan 0.000 0.467 85 S N -0.746 114.951 115.700 -0.006 0.000 2.571 85 S HA 0.069 4.539 4.470 -0.000 0.000 0.245 85 S C 0.833 175.428 174.600 -0.008 0.000 0.976 85 S CA 1.318 59.513 58.200 -0.009 0.000 0.954 85 S CB -0.472 62.724 63.200 -0.007 0.000 0.756 85 S HN 0.449 nan 8.310 nan 0.000 0.535 86 L N 0.654 121.879 121.223 0.004 0.000 3.218 86 L HA 0.440 4.780 4.340 -0.000 0.000 0.279 86 L C 0.103 176.980 176.870 0.012 0.000 1.287 86 L CA -0.251 54.594 54.840 0.008 0.000 1.024 86 L CB 0.186 42.265 42.059 0.034 0.000 1.409 86 L HN 0.073 nan 8.230 nan 0.000 0.580 87 R N -0.322 120.170 120.500 -0.012 0.000 2.621 87 R HA 0.361 4.701 4.340 -0.000 0.000 0.292 87 R C -1.882 174.365 176.300 -0.087 0.000 0.969 87 R CA -1.765 54.327 56.100 -0.013 0.000 0.887 87 R CB 1.809 32.129 30.300 0.033 0.000 1.180 87 R HN -0.262 nan 8.270 nan 0.000 0.450 88 P HA -0.309 nan 4.420 nan 0.000 0.222 88 P C 0.403 177.633 177.300 -0.117 0.000 1.159 88 P CA 1.607 64.574 63.100 -0.222 0.000 0.920 88 P CB 0.334 31.872 31.700 -0.270 0.000 0.793 89 E N -0.759 119.401 120.200 -0.066 0.000 2.097 89 E HA -0.202 4.148 4.350 -0.000 0.000 0.196 89 E C 1.889 178.464 176.600 -0.041 0.000 1.000 89 E CA 1.180 57.555 56.400 -0.042 0.000 0.804 89 E CB -0.684 29.002 29.700 -0.024 0.000 0.740 89 E HN 0.161 nan 8.360 nan 0.000 0.454 90 K N 0.033 120.408 120.400 -0.043 0.000 2.283 90 K HA 0.026 4.346 4.320 -0.000 0.000 0.202 90 K C 1.991 178.572 176.600 -0.032 0.000 1.048 90 K CA 0.945 57.211 56.287 -0.034 0.000 0.948 90 K CB -0.469 32.012 32.500 -0.031 0.000 0.742 90 K HN 0.287 nan 8.250 nan 0.000 0.458 91 G N 1.254 110.026 108.800 -0.047 0.000 2.421 91 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 91 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 91 G C 1.457 176.342 174.900 -0.024 0.000 1.171 91 G CA 0.300 45.375 45.100 -0.041 0.000 0.775 91 G HN 0.206 nan 8.290 nan 0.000 0.543 92 L N 0.536 121.742 121.223 -0.028 0.000 2.042 92 L HA 0.084 4.424 4.340 -0.000 0.000 0.210 92 L C 2.781 179.650 176.870 -0.002 0.000 1.076 92 L CA 1.247 56.077 54.840 -0.016 0.000 0.749 92 L CB -0.730 41.315 42.059 -0.023 0.000 0.893 92 L HN 0.200 nan 8.230 nan 0.000 0.432 93 L N -1.316 119.905 121.223 -0.003 0.000 2.046 93 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 93 L C 2.398 179.284 176.870 0.027 0.000 1.077 93 L CA 1.352 56.200 54.840 0.014 0.000 0.747 93 L CB -1.069 40.990 42.059 0.000 0.000 0.896 93 L HN 0.435 nan 8.230 nan 0.000 0.432 94 G N -0.158 108.650 108.800 0.013 0.000 2.418 94 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 94 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 94 G C 1.527 176.442 174.900 0.025 0.000 1.158 94 G CA 0.674 45.785 45.100 0.019 0.000 0.771 94 G HN 0.222 nan 8.290 nan 0.000 0.545 95 L N 0.772 122.007 121.223 0.020 0.000 2.017 95 L HA 0.045 4.385 4.340 -0.000 0.000 0.208 95 L C 2.708 179.603 176.870 0.041 0.000 1.073 95 L CA 2.229 57.086 54.840 0.030 0.000 0.745 95 L CB -0.721 41.354 42.059 0.025 0.000 0.894 95 L HN 0.245 nan 8.230 nan 0.000 0.432 96 R N -0.017 120.505 120.500 0.036 0.000 2.094 96 R HA -0.230 4.110 4.340 -0.000 0.000 0.239 96 R C 2.229 178.559 176.300 0.050 0.000 1.137 96 R CA 2.521 58.644 56.100 0.038 0.000 0.943 96 R CB -0.349 29.973 30.300 0.037 0.000 0.850 96 R HN 0.417 nan 8.270 nan 0.000 0.433 97 K N 0.668 121.106 120.400 0.063 0.000 2.439 97 K HA -0.104 4.216 4.320 -0.000 0.000 0.197 97 K C 1.629 178.257 176.600 0.047 0.000 1.041 97 K CA 1.636 57.964 56.287 0.069 0.000 0.970 97 K CB -0.280 32.284 32.500 0.106 0.000 0.773 97 K HN 0.365 nan 8.250 nan 0.000 0.479 98 E N -1.136 119.087 120.200 0.038 0.000 2.385 98 E HA 0.132 4.482 4.350 -0.000 0.000 0.194 98 E C 1.235 177.840 176.600 0.009 0.000 1.013 98 E CA 0.476 56.889 56.400 0.022 0.000 0.866 98 E CB 0.246 29.958 29.700 0.020 0.000 0.832 98 E HN 0.380 nan 8.360 nan 0.000 0.500 99 M N -0.914 118.705 119.600 0.031 0.000 2.383 99 M HA 0.347 4.826 4.480 -0.000 0.000 0.247 99 M C 0.877 177.188 176.300 0.018 0.000 1.117 99 M CA 0.384 55.701 55.300 0.028 0.000 0.995 99 M CB 0.656 33.365 32.600 0.183 0.000 1.480 99 M HN 0.163 nan 8.290 nan 0.000 0.485 100 G N 1.183 109.995 108.800 0.020 0.000 2.249 100 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.273 100 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.273 100 G C -0.119 174.793 174.900 0.021 0.000 1.036 100 G CA -0.022 45.098 45.100 0.032 0.000 0.824 100 G HN 0.458 nan 8.290 nan 0.000 0.504 101 L N 0.302 121.522 121.223 -0.005 0.000 2.325 101 L HA 0.454 4.794 4.340 -0.000 0.000 0.284 101 L C 1.624 178.455 176.870 -0.064 0.000 1.089 101 L CA -0.746 54.029 54.840 -0.109 0.000 0.836 101 L CB 0.122 42.130 42.059 -0.085 0.000 1.184 101 L HN 0.296 nan 8.230 nan 0.000 0.444 102 F N 1.015 120.951 119.950 -0.025 0.000 2.704 102 F HA 0.586 5.113 4.527 -0.000 0.000 0.304 102 F C 0.654 176.441 175.800 -0.022 0.000 1.094 102 F CA -0.891 57.088 58.000 -0.035 0.000 1.275 102 F CB -0.015 38.959 39.000 -0.043 0.000 1.073 102 F HN 0.262 nan 8.300 nan 0.000 0.586 103 A N 1.350 124.100 122.820 -0.116 0.000 2.330 103 A HA 0.591 4.911 4.320 -0.000 0.000 0.313 103 A C -1.325 176.204 177.584 -0.092 0.000 1.124 103 A CA -0.649 51.386 52.037 -0.004 0.000 0.774 103 A CB 0.542 19.516 19.000 -0.043 0.000 1.198 103 A HN 0.280 nan 8.150 nan 0.000 0.465 104 N N 2.715 121.400 118.700 -0.025 0.000 2.444 104 N HA 0.445 5.185 4.740 -0.000 0.000 0.262 104 N C -0.873 174.605 175.510 -0.052 0.000 0.974 104 N CA -0.376 52.643 53.050 -0.051 0.000 0.933 104 N CB 0.563 39.046 38.487 -0.007 0.000 1.137 104 N HN 0.473 nan 8.380 nan 0.000 0.498 105 L N 2.545 123.714 121.223 -0.090 0.000 2.350 105 L HA 0.471 4.811 4.340 -0.000 0.000 0.275 105 L C 0.351 177.216 176.870 -0.008 0.000 1.099 105 L CA -0.505 54.295 54.840 -0.067 0.000 0.808 105 L CB 1.081 43.065 42.059 -0.126 0.000 1.149 105 L HN 0.646 nan 8.230 nan 0.000 0.442 106 R N 3.976 124.484 120.500 0.013 0.000 2.607 106 R HA 0.392 4.732 4.340 -0.000 0.000 0.278 106 R C -2.726 173.604 176.300 0.050 0.000 1.637 106 R CA -1.737 54.383 56.100 0.033 0.000 1.325 106 R CB 0.875 31.186 30.300 0.018 0.000 1.211 106 R HN 0.185 nan 8.270 nan 0.000 0.565 107 P HA 0.114 nan 4.420 nan 0.000 0.275 107 P C -0.895 176.458 177.300 0.088 0.000 1.276 107 P CA -0.228 62.932 63.100 0.102 0.000 0.782 107 P CB 1.202 32.991 31.700 0.148 0.000 0.851 108 V N 5.219 125.174 119.914 0.069 0.000 2.313 108 V HA 0.361 4.481 4.120 -0.000 0.000 0.278 108 V C 0.201 176.329 176.094 0.056 0.000 1.017 108 V CA -0.390 61.951 62.300 0.068 0.000 0.823 108 V CB 1.068 32.921 31.823 0.050 0.000 1.010 108 V HN 0.341 nan 8.190 nan 0.000 0.443 109 K N 4.243 124.679 120.400 0.060 0.000 2.345 109 K HA 0.812 5.132 4.320 -0.000 0.000 0.255 109 K C -0.273 176.296 176.600 -0.051 0.000 0.934 109 K CA -0.230 56.042 56.287 -0.025 0.000 0.801 109 K CB 1.879 34.329 32.500 -0.083 0.000 1.137 109 K HN 0.698 nan 8.250 nan 0.000 0.424 110 A N 3.767 126.529 122.820 -0.096 0.000 2.363 110 A HA 0.444 4.764 4.320 -0.000 0.000 0.270 110 A C -1.263 176.201 177.584 -0.200 0.000 1.121 110 A CA -0.136 51.868 52.037 -0.054 0.000 0.800 110 A CB -0.015 18.973 19.000 -0.019 0.000 1.052 110 A HN 0.687 nan 8.150 nan 0.000 0.493 111 Y N 1.587 121.903 120.300 0.026 0.000 2.328 111 Y HA 0.432 4.982 4.550 -0.000 0.000 0.336 111 Y C 1.301 177.212 175.900 0.019 0.000 0.960 111 Y CA 0.166 58.280 58.100 0.023 0.000 1.134 111 Y CB 1.917 40.392 38.460 0.025 0.000 1.166 111 Y HN 0.838 nan 8.280 nan 0.000 0.464 112 A N 1.827 124.717 122.820 0.117 0.000 1.997 112 A HA -0.226 4.094 4.320 -0.000 0.000 0.221 112 A C 1.988 179.620 177.584 0.081 0.000 1.172 112 A CA 2.679 54.762 52.037 0.076 0.000 0.645 112 A CB -0.764 18.267 19.000 0.051 0.000 0.813 112 A HN 0.816 nan 8.150 nan 0.000 0.454 113 T N -0.397 114.220 114.554 0.106 0.000 3.023 113 T HA 0.131 4.481 4.350 -0.000 0.000 0.266 113 T C 1.295 176.031 174.700 0.060 0.000 1.093 113 T CA 1.044 63.185 62.100 0.068 0.000 1.129 113 T CB -0.143 68.760 68.868 0.057 0.000 0.899 113 T HN 0.397 nan 8.240 nan 0.000 0.491 114 L N 0.249 121.525 121.223 0.088 0.000 2.693 114 L HA 0.366 4.706 4.340 -0.000 0.000 0.235 114 L C 1.757 178.667 176.870 0.067 0.000 1.127 114 L CA -0.000 54.880 54.840 0.068 0.000 0.914 114 L CB -0.168 41.933 42.059 0.071 0.000 1.193 114 L HN 0.189 nan 8.230 nan 0.000 0.502 115 L N 0.507 121.771 121.223 0.068 0.000 2.187 115 L HA -0.227 4.112 4.340 -0.000 0.000 0.213 115 L C 2.060 178.953 176.870 0.038 0.000 1.100 115 L CA 1.324 56.196 54.840 0.053 0.000 0.765 115 L CB -0.267 41.818 42.059 0.045 0.000 0.904 115 L HN 0.444 nan 8.230 nan 0.000 0.437 116 N N 0.181 118.900 118.700 0.033 0.000 2.396 116 N HA -0.084 4.656 4.740 -0.000 0.000 0.180 116 N C 1.356 176.880 175.510 0.023 0.000 1.028 116 N CA 0.904 53.968 53.050 0.024 0.000 0.893 116 N CB 0.106 38.604 38.487 0.018 0.000 0.967 116 N HN 0.236 nan 8.380 nan 0.000 0.440 117 A N -0.841 121.995 122.820 0.027 0.000 2.327 117 A HA 0.213 4.533 4.320 -0.000 0.000 0.228 117 A C 0.693 178.293 177.584 0.028 0.000 1.275 117 A CA -0.183 51.869 52.037 0.025 0.000 0.875 117 A CB -0.367 18.648 19.000 0.025 0.000 0.925 117 A HN 0.236 nan 8.150 nan 0.000 0.493 118 S N -0.527 115.191 115.700 0.029 0.000 2.608 118 S HA 0.526 4.996 4.470 -0.000 0.000 0.291 118 S C -1.703 172.912 174.600 0.024 0.000 1.146 118 S CA -1.263 56.955 58.200 0.030 0.000 1.043 118 S CB 1.090 64.311 63.200 0.035 0.000 1.037 118 S HN 0.138 nan 8.310 nan 0.000 0.520 119 P HA 0.196 nan 4.420 nan 0.000 0.224 119 P C -0.692 176.619 177.300 0.019 0.000 1.157 119 P CA 0.436 63.548 63.100 0.020 0.000 0.799 119 P CB 0.106 31.818 31.700 0.020 0.000 0.809 120 L N -0.171 121.065 121.223 0.022 0.000 2.343 120 L HA 0.248 4.588 4.340 -0.000 0.000 0.275 120 L C 0.600 177.482 176.870 0.020 0.000 1.056 120 L CA -0.505 54.348 54.840 0.021 0.000 0.804 120 L CB 0.622 42.696 42.059 0.025 0.000 1.203 120 L HN -0.275 nan 8.230 nan 0.000 0.440 121 K N 2.269 122.679 120.400 0.017 0.000 2.368 121 K HA 0.118 4.438 4.320 -0.000 0.000 0.282 121 K C 1.008 177.617 176.600 0.015 0.000 1.035 121 K CA -0.184 56.112 56.287 0.015 0.000 0.973 121 K CB 0.706 33.212 32.500 0.011 0.000 0.957 121 K HN 0.460 nan 8.250 nan 0.000 0.474 122 R N 2.796 123.305 120.500 0.015 0.000 2.293 122 R HA -0.351 3.989 4.340 -0.000 0.000 0.245 122 R C 1.840 178.147 176.300 0.012 0.000 1.105 122 R CA 2.665 58.773 56.100 0.014 0.000 0.916 122 R CB -0.276 30.031 30.300 0.012 0.000 0.963 122 R HN 0.873 nan 8.270 nan 0.000 0.429 123 E N -0.123 120.082 120.200 0.008 0.000 2.273 123 E HA -0.254 4.096 4.350 -0.000 0.000 0.198 123 E C 1.667 178.271 176.600 0.006 0.000 1.002 123 E CA 1.246 57.649 56.400 0.005 0.000 0.828 123 E CB -0.257 29.444 29.700 0.003 0.000 0.747 123 E HN 0.443 nan 8.360 nan 0.000 0.491 124 R N 0.414 120.920 120.500 0.011 0.000 2.066 124 R HA 0.088 4.428 4.340 -0.000 0.000 0.224 124 R C 2.439 178.752 176.300 0.021 0.000 1.122 124 R CA 0.988 57.096 56.100 0.015 0.000 0.974 124 R CB -0.288 30.023 30.300 0.019 0.000 0.871 124 R HN 0.158 nan 8.270 nan 0.000 0.435 125 V N 1.563 121.491 119.914 0.023 0.000 3.085 125 V HA -0.073 4.047 4.120 -0.000 0.000 0.245 125 V C 0.381 176.488 176.094 0.021 0.000 1.114 125 V CA 0.422 62.739 62.300 0.028 0.000 1.108 125 V CB -0.166 31.677 31.823 0.033 0.000 0.798 125 V HN 0.394 nan 8.190 nan 0.000 0.471 126 E N 1.957 122.166 120.200 0.015 0.000 1.855 126 E HA 0.008 4.358 4.350 -0.000 0.000 0.259 126 E C 0.483 177.083 176.600 -0.001 0.000 1.229 126 E CA 0.729 57.133 56.400 0.007 0.000 1.042 126 E CB -0.636 29.068 29.700 0.007 0.000 1.079 126 E HN 0.556 nan 8.360 nan 0.000 0.434 127 N N 1.685 120.382 118.700 -0.004 0.000 2.444 127 N HA -0.098 4.642 4.740 -0.000 0.000 0.335 127 N C -0.782 174.728 175.510 0.001 0.000 1.190 127 N CA 0.088 53.134 53.050 -0.006 0.000 2.067 127 N CB 0.270 38.756 38.487 -0.002 0.000 2.132 127 N HN 0.240 nan 8.380 nan 0.000 1.114 128 V N 2.569 122.491 119.914 0.013 0.000 2.540 128 V HA 0.056 4.176 4.120 -0.000 0.000 0.297 128 V C -0.106 175.995 176.094 0.013 0.000 1.024 128 V CA 1.280 63.599 62.300 0.033 0.000 1.105 128 V CB 0.984 32.836 31.823 0.048 0.000 0.938 128 V HN 0.294 nan 8.190 nan 0.000 0.482 129 D N 4.078 124.497 120.400 0.032 0.000 3.118 129 D HA 0.375 5.015 4.640 -0.000 0.000 0.286 129 D C -0.659 175.674 176.300 0.054 0.000 1.255 129 D CA -0.452 53.561 54.000 0.022 0.000 0.748 129 D CB 0.316 41.118 40.800 0.004 0.000 1.332 129 D HN 0.355 nan 8.370 nan 0.000 0.575 130 L N -1.272 119.990 121.223 0.065 0.000 2.260 130 L HA 0.949 5.289 4.340 -0.000 0.000 0.265 130 L C -0.930 175.972 176.870 0.053 0.000 1.015 130 L CA -1.092 53.792 54.840 0.074 0.000 0.826 130 L CB 1.371 43.483 42.059 0.088 0.000 1.373 130 L HN -0.138 nan 8.230 nan 0.000 0.450 131 V N 1.304 121.239 119.914 0.035 0.000 2.610 131 V HA 0.395 4.515 4.120 -0.000 0.000 0.298 131 V C -0.842 175.243 176.094 -0.015 0.000 1.067 131 V CA -0.153 62.163 62.300 0.027 0.000 0.894 131 V CB 1.457 33.309 31.823 0.049 0.000 1.015 131 V HN 0.615 nan 8.190 nan 0.000 0.432 132 I N 5.206 125.761 120.570 -0.025 0.000 2.371 132 I HA 0.401 4.571 4.170 -0.000 0.000 0.290 132 I C 0.037 176.139 176.117 -0.024 0.000 1.028 132 I CA -0.073 61.200 61.300 -0.046 0.000 1.345 132 I CB 1.671 39.641 38.000 -0.049 0.000 1.407 132 I HN 0.349 nan 8.210 nan 0.000 0.501 133 V N 7.473 127.376 119.914 -0.018 0.000 2.350 133 V HA 0.492 4.612 4.120 -0.000 0.000 0.285 133 V C 0.068 176.189 176.094 0.044 0.000 1.014 133 V CA -0.865 61.434 62.300 -0.002 0.000 0.831 133 V CB 1.314 33.127 31.823 -0.016 0.000 1.000 133 V HN 0.677 nan 8.190 nan 0.000 0.433 134 R N 3.456 123.987 120.500 0.052 0.000 2.460 134 R HA 0.454 4.794 4.340 -0.000 0.000 0.303 134 R C -0.323 176.057 176.300 0.132 0.000 0.968 134 R CA -0.580 55.572 56.100 0.086 0.000 0.889 134 R CB 1.577 31.914 30.300 0.062 0.000 1.123 134 R HN 0.669 nan 8.270 nan 0.000 0.455 135 E N 4.310 124.620 120.200 0.183 0.000 2.354 135 E HA 0.051 4.401 4.350 -0.000 0.000 0.269 135 E C -0.046 176.662 176.600 0.180 0.000 1.036 135 E CA 0.097 56.635 56.400 0.230 0.000 0.876 135 E CB 1.123 31.019 29.700 0.327 0.000 1.009 135 E HN 0.719 nan 8.360 nan 0.000 0.416 136 L N 2.375 123.699 121.223 0.169 0.000 2.781 136 L HA 0.066 4.406 4.340 -0.000 0.000 0.245 136 L C 1.858 178.714 176.870 -0.022 0.000 1.118 136 L CA 0.615 55.537 54.840 0.137 0.000 0.918 136 L CB 0.291 42.432 42.059 0.138 0.000 1.246 136 L HN 0.523 nan 8.230 nan 0.000 0.526 137 T N -3.285 111.170 114.554 -0.165 0.000 3.044 137 T HA 0.313 4.663 4.350 -0.000 0.000 0.250 137 T C 0.891 175.153 174.700 -0.729 0.000 1.081 137 T CA 0.429 62.163 62.100 -0.609 0.000 1.040 137 T CB 0.448 69.108 68.868 -0.346 0.000 0.962 137 T HN 0.205 nan 8.240 nan 0.000 0.506 138 G N -0.277 108.265 108.800 -0.429 0.000 3.252 138 G HA2 0.638 4.598 3.960 -0.000 0.000 0.181 138 G HA3 0.638 4.598 3.960 -0.000 0.000 0.181 138 G C 0.392 174.904 174.900 -0.646 0.000 1.187 138 G CA -0.253 44.448 45.100 -0.666 0.000 0.886 138 G HN 0.970 nan 8.290 nan 0.000 0.615 139 G N -1.333 106.738 108.800 -1.214 0.000 2.642 139 G HA2 0.005 3.965 3.960 -0.000 0.000 0.231 139 G HA3 0.005 3.965 3.960 -0.000 0.000 0.231 139 G C 0.859 175.617 174.900 -0.237 0.000 1.338 139 G CA 0.289 45.050 45.100 -0.565 0.000 0.883 139 G HN 1.486 nan 8.290 nan 0.000 0.570 140 L N -0.296 120.815 121.223 -0.188 0.000 2.081 140 L HA 0.018 4.358 4.340 -0.000 0.000 0.212 140 L C 2.778 179.712 176.870 0.107 0.000 1.080 140 L CA 2.632 57.437 54.840 -0.059 0.000 0.754 140 L CB -0.917 41.094 42.059 -0.080 0.000 0.893 140 L HN 0.651 nan 8.230 nan 0.000 0.433 141 Y N -0.653 119.634 120.300 -0.021 0.000 2.122 141 Y HA -0.226 4.324 4.550 -0.000 0.000 0.249 141 Y C 2.450 178.305 175.900 -0.075 0.000 1.070 141 Y CA 1.290 59.358 58.100 -0.053 0.000 1.059 141 Y CB -1.777 36.670 38.460 -0.021 0.000 0.988 141 Y HN 0.057 nan 8.280 nan 0.000 0.480 142 F N 0.462 120.472 119.950 0.100 0.000 2.346 142 F HA -0.042 4.485 4.527 -0.000 0.000 0.301 142 F C 1.981 177.763 175.800 -0.030 0.000 1.070 142 F CA 0.464 58.468 58.000 0.007 0.000 1.407 142 F CB -1.382 37.600 39.000 -0.029 0.000 1.072 142 F HN 0.038 nan 8.300 nan 0.000 0.543 143 G N -0.056 108.812 108.800 0.113 0.000 2.855 143 G HA2 0.255 4.215 3.960 -0.000 0.000 0.248 143 G HA3 0.255 4.215 3.960 -0.000 0.000 0.248 143 G C -0.270 174.645 174.900 0.026 0.000 1.243 143 G CA -0.217 44.904 45.100 0.036 0.000 0.881 143 G HN 0.344 nan 8.290 nan 0.000 0.598 144 R N -0.698 119.810 120.500 0.013 0.000 2.824 144 R HA 0.242 4.582 4.340 -0.000 0.000 0.267 144 R C -2.733 173.571 176.300 0.006 0.000 1.035 144 R CA -1.086 55.019 56.100 0.008 0.000 0.887 144 R CB 1.302 31.608 30.300 0.010 0.000 1.262 144 R HN 0.531 nan 8.270 nan 0.000 0.487 145 P HA 0.026 nan 4.420 nan 0.000 0.266 145 P C -0.842 176.459 177.300 0.002 0.000 1.195 145 P CA 0.123 63.224 63.100 0.003 0.000 0.768 145 P CB 1.237 32.938 31.700 0.003 0.000 0.838 146 S N 1.514 117.213 115.700 -0.002 0.000 2.407 146 S HA 0.204 4.674 4.470 -0.000 0.000 0.166 146 S C -0.567 174.029 174.600 -0.008 0.000 1.445 146 S CA -0.592 57.605 58.200 -0.005 0.000 1.260 146 S CB -0.266 62.929 63.200 -0.009 0.000 1.401 146 S HN 0.454 nan 8.310 nan 0.000 0.379 147 E N 1.284 121.481 120.200 -0.005 0.000 2.433 147 E HA 0.465 4.815 4.350 -0.000 0.000 0.273 147 E C -0.971 175.627 176.600 -0.004 0.000 0.950 147 E CA -1.144 55.253 56.400 -0.006 0.000 0.796 147 E CB 0.890 30.587 29.700 -0.005 0.000 1.330 147 E HN 0.332 nan 8.360 nan 0.000 0.455 148 R N 0.098 120.596 120.500 -0.004 0.000 2.229 148 R HA 0.664 5.004 4.340 -0.000 0.000 0.328 148 R C 0.653 176.952 176.300 -0.002 0.000 1.009 148 R CA -0.184 55.914 56.100 -0.003 0.000 0.864 148 R CB 1.005 31.303 30.300 -0.004 0.000 1.085 148 R HN 0.695 nan 8.270 nan 0.000 0.453 149 R N 2.070 122.569 120.500 -0.001 0.000 2.647 149 R HA 0.694 5.034 4.340 -0.000 0.000 0.124 149 R C 0.773 177.073 176.300 0.000 0.000 1.294 149 R CA 0.140 56.240 56.100 -0.000 0.000 1.060 149 R CB -1.148 29.152 30.300 0.001 0.000 1.282 149 R HN 0.858 nan 8.270 nan 0.000 0.430 150 G N -0.129 108.672 108.800 0.001 0.000 2.915 150 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.291 150 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.291 150 G C -2.175 172.726 174.900 0.001 0.000 1.445 150 G CA -0.051 45.050 45.100 0.001 0.000 0.938 150 G HN 0.738 nan 8.290 nan 0.000 0.556 151 P HA 0.371 nan 4.420 nan 0.000 0.259 151 P C 0.842 178.142 177.300 0.000 0.000 1.211 151 P CA 1.702 64.803 63.100 0.001 0.000 0.810 151 P CB 0.303 32.004 31.700 0.001 0.000 0.815 152 G N 3.387 112.187 108.800 0.000 0.000 2.305 152 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.287 152 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.287 152 G C 0.356 175.255 174.900 -0.001 0.000 1.036 152 G CA 0.458 45.557 45.100 -0.000 0.000 0.887 152 G HN 0.696 nan 8.290 nan 0.000 0.505 153 E N -1.486 118.714 120.200 -0.001 0.000 2.287 153 E HA -0.208 4.142 4.350 -0.000 0.000 0.229 153 E C -0.038 176.562 176.600 -0.001 0.000 1.194 153 E CA 0.769 57.168 56.400 -0.001 0.000 0.704 153 E CB -1.149 28.550 29.700 -0.002 0.000 1.216 153 E HN 0.552 nan 8.360 nan 0.000 0.381 154 N N 1.706 120.406 118.700 0.000 0.000 2.541 154 N HA 0.180 4.920 4.740 -0.000 0.000 0.297 154 N C -1.077 174.434 175.510 0.001 0.000 1.503 154 N CA 0.044 53.095 53.050 0.001 0.000 0.919 154 N CB 0.969 39.456 38.487 0.001 0.000 1.305 154 N HN 0.423 nan 8.380 nan 0.000 0.501 155 E N 0.106 120.306 120.200 0.001 0.000 2.537 155 E HA 0.292 4.642 4.350 -0.000 0.000 0.301 155 E C -2.074 174.526 176.600 0.001 0.000 0.990 155 E CA -0.409 55.992 56.400 0.002 0.000 0.828 155 E CB 1.850 31.551 29.700 0.002 0.000 1.243 155 E HN -0.095 nan 8.360 nan 0.000 0.414 156 V N 3.465 123.380 119.914 0.002 0.000 3.160 156 V HA 0.877 4.997 4.120 -0.000 0.000 0.310 156 V C -1.454 174.642 176.094 0.004 0.000 1.181 156 V CA -0.270 62.031 62.300 0.002 0.000 1.047 156 V CB 2.214 34.037 31.823 0.001 0.000 1.068 156 V HN 0.609 nan 8.190 nan 0.000 0.441 157 V N 0.229 120.145 119.914 0.003 0.000 3.167 157 V HA 0.750 4.870 4.120 -0.000 0.000 0.293 157 V C -1.620 174.478 176.094 0.005 0.000 1.379 157 V CA -0.729 61.574 62.300 0.006 0.000 1.019 157 V CB 2.025 33.851 31.823 0.006 0.000 1.115 157 V HN 0.836 nan 8.190 nan 0.000 0.442 158 D N 0.880 121.285 120.400 0.009 0.000 2.547 158 D HA 0.725 5.365 4.640 -0.000 0.000 0.231 158 D C -1.045 175.261 176.300 0.011 0.000 1.099 158 D CA -0.206 53.800 54.000 0.011 0.000 0.901 158 D CB 2.663 43.474 40.800 0.018 0.000 1.478 158 D HN 0.811 nan 8.370 nan 0.000 0.471 159 T N 1.441 116.001 114.554 0.010 0.000 2.864 159 T HA 0.243 4.593 4.350 -0.000 0.000 0.299 159 T C -0.303 174.394 174.700 -0.006 0.000 1.011 159 T CA -0.569 61.534 62.100 0.005 0.000 0.975 159 T CB 0.827 69.698 68.868 0.005 0.000 0.962 159 T HN 0.127 nan 8.240 nan 0.000 0.448 160 L N 4.438 125.656 121.223 -0.010 0.000 2.312 160 L HA 0.762 5.102 4.340 -0.000 0.000 0.287 160 L C -0.113 176.749 176.870 -0.014 0.000 1.091 160 L CA -0.410 54.411 54.840 -0.032 0.000 0.846 160 L CB -0.866 41.178 42.059 -0.026 0.000 1.219 160 L HN 0.697 nan 8.230 nan 0.000 0.439 161 A N 4.510 127.286 122.820 -0.074 0.000 2.356 161 A HA 0.835 5.155 4.320 -0.000 0.000 0.323 161 A C -1.578 175.922 177.584 -0.140 0.000 1.119 161 A CA -0.404 51.605 52.037 -0.046 0.000 0.790 161 A CB 0.919 19.894 19.000 -0.041 0.000 1.273 161 A HN 0.664 nan 8.150 nan 0.000 0.452 162 Y N -0.804 119.495 120.300 -0.000 0.000 2.592 162 Y HA 0.519 5.069 4.550 -0.000 0.000 0.334 162 Y C 0.310 176.199 175.900 -0.018 0.000 1.136 162 Y CA -0.164 57.931 58.100 -0.008 0.000 1.042 162 Y CB 2.412 40.884 38.460 0.020 0.000 1.325 162 Y HN 0.908 nan 8.280 nan 0.000 0.457 163 T N -1.289 113.384 114.554 0.199 0.000 2.912 163 T HA 0.412 4.762 4.350 -0.000 0.000 0.288 163 T C 0.871 175.589 174.700 0.031 0.000 1.030 163 T CA -0.949 61.195 62.100 0.074 0.000 1.020 163 T CB 2.172 71.052 68.868 0.021 0.000 1.056 163 T HN 0.780 nan 8.240 nan 0.000 0.480 164 R N 0.613 121.105 120.500 -0.012 0.000 2.103 164 R HA -0.189 4.151 4.340 -0.000 0.000 0.242 164 R C 2.190 178.434 176.300 -0.093 0.000 1.142 164 R CA 2.146 58.212 56.100 -0.057 0.000 0.960 164 R CB -0.358 29.915 30.300 -0.046 0.000 0.858 164 R HN 0.938 nan 8.270 nan 0.000 0.439 165 E N 0.413 120.566 120.200 -0.077 0.000 2.070 165 E HA -0.271 4.079 4.350 -0.000 0.000 0.197 165 E C 1.577 178.075 176.600 -0.170 0.000 1.004 165 E CA 2.041 58.376 56.400 -0.108 0.000 0.805 165 E CB -0.024 29.625 29.700 -0.084 0.000 0.744 165 E HN 0.547 nan 8.360 nan 0.000 0.451 166 E N 0.180 120.303 120.200 -0.129 0.000 2.072 166 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 166 E C 2.259 178.711 176.600 -0.247 0.000 0.985 166 E CA 1.098 57.404 56.400 -0.157 0.000 0.801 166 E CB -0.027 29.726 29.700 0.088 0.000 0.750 166 E HN 0.349 nan 8.360 nan 0.000 0.452 167 I N 1.242 121.645 120.570 -0.279 0.000 2.133 167 I HA -0.218 3.952 4.170 -0.000 0.000 0.238 167 I C 2.396 178.225 176.117 -0.480 0.000 1.074 167 I CA 1.337 62.322 61.300 -0.525 0.000 1.342 167 I CB -1.086 36.603 38.000 -0.519 0.000 1.053 167 I HN 0.130 nan 8.210 nan 0.000 0.404 168 E N 1.109 121.116 120.200 -0.322 0.000 2.086 168 E HA -0.293 4.057 4.350 -0.000 0.000 0.205 168 E C 2.322 178.794 176.600 -0.213 0.000 1.027 168 E CA 2.516 58.776 56.400 -0.233 0.000 0.830 168 E CB -0.086 29.519 29.700 -0.158 0.000 0.751 168 E HN 0.503 nan 8.360 nan 0.000 0.456 169 R N 0.097 120.438 120.500 -0.265 0.000 2.075 169 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 169 R C 2.352 178.540 176.300 -0.188 0.000 1.126 169 R CA 1.589 57.534 56.100 -0.259 0.000 0.963 169 R CB -0.656 29.342 30.300 -0.502 0.000 0.858 169 R HN 0.202 nan 8.270 nan 0.000 0.435 170 I N 1.321 121.725 120.570 -0.277 0.000 2.546 170 I HA -0.118 4.052 4.170 -0.000 0.000 0.255 170 I C 1.680 177.729 176.117 -0.113 0.000 1.163 170 I CA 0.902 62.161 61.300 -0.069 0.000 1.457 170 I CB 0.093 38.056 38.000 -0.062 0.000 1.092 170 I HN 0.203 nan 8.210 nan 0.000 0.434 171 I N 0.105 120.526 120.570 -0.247 0.000 2.617 171 I HA -0.102 4.068 4.170 -0.000 0.000 0.256 171 I C 2.256 178.351 176.117 -0.036 0.000 1.167 171 I CA 0.929 62.098 61.300 -0.218 0.000 1.469 171 I CB -1.414 36.416 38.000 -0.284 0.000 1.098 171 I HN 0.291 nan 8.210 nan 0.000 0.436 172 E N 1.040 121.232 120.200 -0.013 0.000 2.051 172 E HA -0.181 4.169 4.350 -0.000 0.000 0.189 172 E C 1.958 178.566 176.600 0.013 0.000 0.979 172 E CA 0.659 57.082 56.400 0.038 0.000 0.803 172 E CB 0.007 29.750 29.700 0.070 0.000 0.761 172 E HN 0.163 nan 8.360 nan 0.000 0.451 173 K N 1.041 121.467 120.400 0.043 0.000 2.442 173 K HA -0.028 4.292 4.320 -0.000 0.000 0.198 173 K C 1.519 178.094 176.600 -0.041 0.000 1.044 173 K CA 0.927 57.235 56.287 0.035 0.000 0.948 173 K CB -0.128 32.435 32.500 0.105 0.000 0.762 173 K HN 0.078 nan 8.250 nan 0.000 0.472 174 A N -0.915 121.855 122.820 -0.083 0.000 1.911 174 A HA 0.096 4.416 4.320 -0.000 0.000 0.212 174 A C 1.796 179.238 177.584 -0.237 0.000 1.189 174 A CA 0.472 52.412 52.037 -0.163 0.000 0.639 174 A CB -0.544 18.330 19.000 -0.211 0.000 0.839 174 A HN 0.264 nan 8.150 nan 0.000 0.449 175 F N 0.762 120.503 119.950 -0.350 0.000 2.234 175 F HA -0.120 4.407 4.527 -0.000 0.000 0.299 175 F C 2.655 178.175 175.800 -0.468 0.000 1.087 175 F CA 1.644 59.300 58.000 -0.573 0.000 1.340 175 F CB -0.235 38.011 39.000 -1.257 0.000 1.031 175 F HN 0.297 nan 8.300 nan 0.000 0.500 176 Q N -0.226 119.491 119.800 -0.138 0.000 2.046 176 Q HA -0.177 4.163 4.340 -0.000 0.000 0.200 176 Q C 2.416 178.456 176.000 0.067 0.000 0.975 176 Q CA 1.249 57.095 55.803 0.071 0.000 0.836 176 Q CB -0.423 28.381 28.738 0.110 0.000 0.896 176 Q HN 0.417 nan 8.270 nan 0.000 0.428 177 L N 0.364 121.591 121.223 0.007 0.000 2.042 177 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 177 L C 2.238 179.136 176.870 0.047 0.000 1.076 177 L CA 1.301 56.154 54.840 0.021 0.000 0.749 177 L CB -0.418 41.612 42.059 -0.048 0.000 0.893 177 L HN 0.237 nan 8.230 nan 0.000 0.432 178 A N -1.164 121.662 122.820 0.011 0.000 2.019 178 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 178 A C 2.082 179.713 177.584 0.079 0.000 1.164 178 A CA 1.214 53.267 52.037 0.027 0.000 0.644 178 A CB -0.373 18.613 19.000 -0.023 0.000 0.805 178 A HN 0.535 nan 8.150 nan 0.000 0.449 179 Q N -0.435 119.433 119.800 0.113 0.000 2.230 179 Q HA -0.075 4.265 4.340 -0.000 0.000 0.202 179 Q C 1.863 177.933 176.000 0.117 0.000 0.963 179 Q CA 1.515 57.407 55.803 0.150 0.000 0.866 179 Q CB -0.177 28.695 28.738 0.222 0.000 0.931 179 Q HN 0.980 nan 8.270 nan 0.000 0.452 180 I N -3.387 117.248 120.570 0.109 0.000 3.956 180 I HA 0.164 4.334 4.170 -0.000 0.000 0.333 180 I C 1.022 177.191 176.117 0.087 0.000 1.302 180 I CA -0.115 61.245 61.300 0.100 0.000 1.122 180 I CB 0.313 38.383 38.000 0.117 0.000 1.013 180 I HN -0.103 nan 8.210 nan 0.000 0.405 181 R N 1.256 121.805 120.500 0.083 0.000 2.618 181 R HA 0.488 4.828 4.340 -0.000 0.000 0.108 181 R C 0.607 176.941 176.300 0.058 0.000 1.220 181 R CA -0.796 55.346 56.100 0.069 0.000 1.020 181 R CB 0.152 30.495 30.300 0.072 0.000 0.950 181 R HN 0.041 nan 8.270 nan 0.000 0.397 182 R N 1.313 121.843 120.500 0.051 0.000 2.426 182 R HA 0.149 4.489 4.340 -0.000 0.000 0.263 182 R C -0.462 175.867 176.300 0.047 0.000 0.961 182 R CA 0.043 56.168 56.100 0.043 0.000 1.086 182 R CB 0.047 30.367 30.300 0.034 0.000 1.186 182 R HN 0.389 nan 8.270 nan 0.000 0.537 183 K N 1.106 121.541 120.400 0.059 0.000 3.148 183 K HA -0.220 4.100 4.320 -0.000 0.000 0.267 183 K C -0.939 175.697 176.600 0.060 0.000 0.996 183 K CA 1.025 57.356 56.287 0.073 0.000 0.737 183 K CB -1.063 31.485 32.500 0.079 0.000 1.308 183 K HN 0.203 nan 8.250 nan 0.000 0.470 184 K N 0.849 121.272 120.400 0.039 0.000 2.578 184 K HA 0.416 4.736 4.320 -0.000 0.000 0.250 184 K C -1.393 175.207 176.600 -0.001 0.000 0.955 184 K CA -0.872 55.429 56.287 0.024 0.000 0.825 184 K CB 1.530 34.042 32.500 0.021 0.000 1.151 184 K HN 0.056 nan 8.250 nan 0.000 0.432 185 L N 2.475 123.670 121.223 -0.046 0.000 2.372 185 L HA 0.637 4.977 4.340 -0.000 0.000 0.274 185 L C -1.241 175.564 176.870 -0.107 0.000 0.988 185 L CA -0.342 54.421 54.840 -0.129 0.000 0.833 185 L CB 1.670 43.514 42.059 -0.359 0.000 1.236 185 L HN 0.707 nan 8.230 nan 0.000 0.410 186 A N 3.353 126.158 122.820 -0.024 0.000 2.260 186 A HA 0.597 4.917 4.320 -0.000 0.000 0.312 186 A C -0.093 177.499 177.584 0.013 0.000 1.321 186 A CA -0.262 51.791 52.037 0.026 0.000 0.928 186 A CB 0.470 19.576 19.000 0.177 0.000 1.158 186 A HN 0.749 nan 8.150 nan 0.000 0.542 187 S N 3.079 118.804 115.700 0.041 0.000 2.399 187 S HA 0.426 4.896 4.470 -0.000 0.000 0.301 187 S C -0.255 174.445 174.600 0.166 0.000 1.093 187 S CA -0.412 57.903 58.200 0.192 0.000 1.077 187 S CB -0.243 63.166 63.200 0.348 0.000 0.980 187 S HN 0.581 nan 8.310 nan 0.000 0.494 188 V N 6.269 126.201 119.914 0.030 0.000 2.432 188 V HA 0.488 4.608 4.120 -0.000 0.000 0.275 188 V C 0.106 176.045 176.094 -0.258 0.000 1.043 188 V CA -0.359 61.882 62.300 -0.098 0.000 0.925 188 V CB 1.117 32.860 31.823 -0.132 0.000 0.985 188 V HN 1.027 nan 8.190 nan 0.000 0.466 189 D N 3.928 124.192 120.400 -0.227 0.000 3.057 189 D HA 0.495 5.135 4.640 -0.000 0.000 0.328 189 D C -0.636 175.536 176.300 -0.213 0.000 1.317 189 D CA -0.842 53.025 54.000 -0.221 0.000 0.973 189 D CB 1.303 41.971 40.800 -0.220 0.000 1.424 189 D HN 0.203 nan 8.370 nan 0.000 0.569 190 K N -1.067 119.288 120.400 -0.074 0.000 3.350 190 K HA 0.652 4.972 4.320 -0.000 0.000 0.167 190 K C -0.134 176.459 176.600 -0.012 0.000 1.058 190 K CA 0.096 56.343 56.287 -0.067 0.000 0.783 190 K CB 0.411 32.909 32.500 -0.003 0.000 0.872 190 K HN 0.494 nan 8.250 nan 0.000 0.561 191 A N 0.943 123.745 122.820 -0.030 0.000 2.239 191 A HA -0.080 4.240 4.320 -0.000 0.000 0.209 191 A C 0.984 178.559 177.584 -0.014 0.000 1.171 191 A CA 1.107 53.134 52.037 -0.017 0.000 0.768 191 A CB -0.855 18.122 19.000 -0.039 0.000 0.790 191 A HN 0.751 nan 8.150 nan 0.000 0.478 192 N N -1.719 116.971 118.700 -0.016 0.000 2.214 192 N HA 0.228 4.968 4.740 -0.000 0.000 0.214 192 N C 0.285 175.794 175.510 -0.003 0.000 1.132 192 N CA 0.440 53.483 53.050 -0.012 0.000 0.856 192 N CB 0.751 39.228 38.487 -0.017 0.000 1.020 192 N HN 0.087 nan 8.380 nan 0.000 0.509 193 V N -0.403 119.514 119.914 0.005 0.000 3.339 193 V HA 0.162 4.282 4.120 -0.000 0.000 0.201 193 V C 0.280 176.389 176.094 0.025 0.000 1.489 193 V CA -0.163 62.145 62.300 0.014 0.000 1.228 193 V CB 0.412 32.244 31.823 0.015 0.000 1.152 193 V HN 0.135 nan 8.190 nan 0.000 0.519 194 L N 1.883 123.128 121.223 0.036 0.000 2.305 194 L HA 0.353 4.693 4.340 -0.000 0.000 0.281 194 L C 1.516 178.410 176.870 0.041 0.000 1.085 194 L CA 0.123 54.990 54.840 0.046 0.000 0.813 194 L CB 1.321 43.421 42.059 0.068 0.000 1.157 194 L HN 0.270 nan 8.230 nan 0.000 0.436 195 E N 1.669 121.893 120.200 0.040 0.000 2.152 195 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 195 E C 1.974 178.606 176.600 0.054 0.000 0.983 195 E CA 1.530 57.953 56.400 0.040 0.000 0.818 195 E CB 0.188 29.909 29.700 0.035 0.000 0.758 195 E HN 0.701 nan 8.360 nan 0.000 0.467 196 S N -0.992 114.748 115.700 0.066 0.000 2.382 196 S HA -0.098 4.372 4.470 -0.000 0.000 0.228 196 S C 2.215 176.871 174.600 0.095 0.000 1.027 196 S CA 1.342 59.597 58.200 0.092 0.000 0.991 196 S CB -0.460 62.812 63.200 0.121 0.000 0.823 196 S HN 0.151 nan 8.310 nan 0.000 0.469 197 S N 1.719 117.463 115.700 0.072 0.000 2.371 197 S HA 0.080 4.550 4.470 -0.000 0.000 0.224 197 S C 2.056 176.710 174.600 0.090 0.000 1.029 197 S CA 0.753 58.995 58.200 0.070 0.000 0.978 197 S CB -0.308 62.913 63.200 0.035 0.000 0.833 197 S HN 0.550 nan 8.310 nan 0.000 0.466 198 R N 0.679 121.213 120.500 0.055 0.000 2.117 198 R HA -0.094 4.245 4.340 -0.000 0.000 0.243 198 R C 2.424 178.756 176.300 0.054 0.000 1.143 198 R CA 1.585 57.707 56.100 0.036 0.000 0.968 198 R CB -0.351 29.963 30.300 0.023 0.000 0.863 198 R HN 0.426 nan 8.270 nan 0.000 0.444 199 M N -0.073 119.569 119.600 0.070 0.000 2.156 199 M HA -0.165 4.315 4.480 -0.000 0.000 0.264 199 M C 2.017 178.368 176.300 0.086 0.000 1.067 199 M CA 1.435 56.770 55.300 0.059 0.000 1.131 199 M CB -0.211 32.417 32.600 0.048 0.000 1.368 199 M HN 0.335 nan 8.290 nan 0.000 0.416 200 W N 1.601 122.854 121.300 -0.079 0.000 2.335 200 W HA -0.251 4.409 4.660 -0.000 0.000 0.311 200 W C 2.202 178.692 176.519 -0.047 0.000 1.213 200 W CA 1.876 59.164 57.345 -0.094 0.000 1.274 200 W CB -0.749 28.642 29.460 -0.115 0.000 1.148 200 W HN 0.299 nan 8.180 nan 0.000 0.498 201 R N 0.635 121.314 120.500 0.298 0.000 2.105 201 R HA -0.190 4.150 4.340 -0.000 0.000 0.239 201 R C 2.323 178.658 176.300 0.059 0.000 1.135 201 R CA 2.014 58.191 56.100 0.129 0.000 0.967 201 R CB -0.445 29.796 30.300 -0.098 0.000 0.861 201 R HN 0.223 nan 8.270 nan 0.000 0.442 202 E N 0.286 120.506 120.200 0.034 0.000 2.007 202 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 202 E C 2.036 178.642 176.600 0.010 0.000 0.999 202 E CA 1.766 58.177 56.400 0.018 0.000 0.811 202 E CB -0.159 29.545 29.700 0.006 0.000 0.762 202 E HN 0.345 nan 8.360 nan 0.000 0.450 203 I N 0.995 121.542 120.570 -0.038 0.000 2.185 203 I HA -0.331 3.839 4.170 -0.000 0.000 0.246 203 I C 2.481 178.575 176.117 -0.039 0.000 1.088 203 I CA 1.190 62.442 61.300 -0.080 0.000 1.347 203 I CB -0.374 37.516 38.000 -0.184 0.000 1.041 203 I HN 0.142 nan 8.210 nan 0.000 0.415 204 A N -0.148 122.660 122.820 -0.019 0.000 2.015 204 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 204 A C 2.168 179.907 177.584 0.259 0.000 1.163 204 A CA 1.659 53.782 52.037 0.143 0.000 0.646 204 A CB -0.376 18.728 19.000 0.174 0.000 0.806 204 A HN 0.386 nan 8.150 nan 0.000 0.448 205 E N 0.506 120.822 120.200 0.194 0.000 2.112 205 E HA -0.135 4.215 4.350 -0.000 0.000 0.190 205 E C 2.001 178.654 176.600 0.089 0.000 0.979 205 E CA 1.336 57.846 56.400 0.185 0.000 0.814 205 E CB -0.159 29.636 29.700 0.158 0.000 0.762 205 E HN 0.822 nan 8.360 nan 0.000 0.460 206 E N -1.163 119.064 120.200 0.046 0.000 2.435 206 E HA -0.037 4.313 4.350 -0.000 0.000 0.195 206 E C 1.247 177.829 176.600 -0.030 0.000 1.029 206 E CA 0.999 57.401 56.400 0.003 0.000 0.865 206 E CB 0.118 29.814 29.700 -0.006 0.000 0.833 206 E HN 0.051 nan 8.360 nan 0.000 0.510 207 T N 1.122 115.660 114.554 -0.026 0.000 2.937 207 T HA 0.098 4.448 4.350 -0.000 0.000 0.260 207 T C 1.991 176.472 174.700 -0.364 0.000 1.051 207 T CA 0.921 62.957 62.100 -0.108 0.000 1.141 207 T CB -0.048 68.819 68.868 -0.001 0.000 0.879 207 T HN 0.354 nan 8.240 nan 0.000 0.459 208 A N 2.022 124.623 122.820 -0.365 0.000 2.131 208 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 208 A C 2.214 179.665 177.584 -0.221 0.000 1.158 208 A CA 1.186 52.945 52.037 -0.464 0.000 0.665 208 A CB -0.361 18.658 19.000 0.032 0.000 0.795 208 A HN 0.230 nan 8.150 nan 0.000 0.460 209 K N 0.097 120.415 120.400 -0.137 0.000 2.057 209 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 209 K C 1.982 178.504 176.600 -0.131 0.000 1.049 209 K CA 1.683 57.914 56.287 -0.094 0.000 0.931 209 K CB -0.325 32.134 32.500 -0.067 0.000 0.714 209 K HN 0.655 nan 8.250 nan 0.000 0.440 210 K N 0.163 120.462 120.400 -0.170 0.000 2.148 210 K HA -0.123 4.197 4.320 -0.000 0.000 0.204 210 K C 0.074 176.402 176.600 -0.452 0.000 1.050 210 K CA 1.048 57.159 56.287 -0.293 0.000 0.942 210 K CB 0.131 32.434 32.500 -0.328 0.000 0.724 210 K HN 0.044 nan 8.250 nan 0.000 0.446 211 Y N 1.144 121.253 120.300 -0.319 0.000 2.902 211 Y HA 0.242 4.792 4.550 -0.000 0.000 0.353 211 Y C -1.863 173.958 175.900 -0.131 0.000 1.116 211 Y CA -2.703 55.267 58.100 -0.215 0.000 1.222 211 Y CB 0.933 39.244 38.460 -0.249 0.000 1.302 211 Y HN 0.143 nan 8.280 nan 0.000 0.590 212 P HA -0.181 nan 4.420 nan 0.000 0.219 212 P C 0.562 177.892 177.300 0.049 0.000 1.146 212 P CA 1.597 64.703 63.100 0.011 0.000 0.808 212 P CB 0.404 32.092 31.700 -0.020 0.000 0.779 213 D N -0.528 119.912 120.400 0.066 0.000 2.336 213 D HA 0.026 4.666 4.640 -0.000 0.000 0.229 213 D C 0.393 176.760 176.300 0.112 0.000 1.061 213 D CA -0.007 54.038 54.000 0.075 0.000 0.875 213 D CB -0.195 40.643 40.800 0.063 0.000 0.904 213 D HN 0.062 nan 8.370 nan 0.000 0.525 214 V N 0.995 121.007 119.914 0.163 0.000 2.459 214 V HA 0.151 4.271 4.120 -0.000 0.000 0.295 214 V C 0.118 176.319 176.094 0.178 0.000 1.029 214 V CA -1.042 61.377 62.300 0.199 0.000 0.874 214 V CB 2.132 34.164 31.823 0.348 0.000 0.985 214 V HN 0.073 nan 8.190 nan 0.000 0.438 215 E N 4.146 124.415 120.200 0.115 0.000 2.152 215 E HA 0.320 4.670 4.350 -0.000 0.000 0.285 215 E C -1.250 175.386 176.600 0.060 0.000 1.043 215 E CA -0.678 55.768 56.400 0.077 0.000 0.839 215 E CB 1.313 31.036 29.700 0.038 0.000 1.069 215 E HN 0.528 nan 8.360 nan 0.000 0.399 216 L N 4.049 125.309 121.223 0.062 0.000 2.275 216 L HA 0.372 4.712 4.340 -0.000 0.000 0.288 216 L C -1.002 175.775 176.870 -0.156 0.000 1.046 216 L CA 0.074 54.898 54.840 -0.027 0.000 0.805 216 L CB 1.618 43.719 42.059 0.070 0.000 1.193 216 L HN 0.363 nan 8.230 nan 0.000 0.426 217 S N 3.541 119.124 115.700 -0.196 0.000 2.536 217 S HA 0.627 5.097 4.470 -0.000 0.000 0.298 217 S C -1.143 173.308 174.600 -0.248 0.000 1.083 217 S CA -0.581 57.509 58.200 -0.184 0.000 0.995 217 S CB 1.067 64.236 63.200 -0.051 0.000 1.058 217 S HN 0.585 nan 8.310 nan 0.000 0.488 218 H N 1.762 120.865 119.070 0.056 0.000 2.489 218 H HA 0.529 5.085 4.556 -0.000 0.000 0.343 218 H C -0.670 174.678 175.328 0.033 0.000 1.086 218 H CA -0.305 55.774 56.048 0.052 0.000 1.198 218 H CB 1.286 31.081 29.762 0.056 0.000 1.490 218 H HN 0.390 nan 8.280 nan 0.000 0.504 219 M N 2.846 122.528 119.600 0.137 0.000 2.518 219 M HA 0.316 4.796 4.480 -0.000 0.000 0.300 219 M C -0.654 175.643 176.300 -0.005 0.000 1.175 219 M CA -0.822 54.517 55.300 0.066 0.000 0.890 219 M CB 2.862 35.513 32.600 0.084 0.000 1.710 219 M HN 0.278 nan 8.290 nan 0.000 0.453 220 L N 1.929 123.129 121.223 -0.039 0.000 2.371 220 L HA 0.155 4.495 4.340 -0.000 0.000 0.272 220 L C 1.346 178.102 176.870 -0.190 0.000 1.124 220 L CA -0.197 54.575 54.840 -0.114 0.000 0.816 220 L CB 1.398 43.402 42.059 -0.092 0.000 1.129 220 L HN 0.650 nan 8.230 nan 0.000 0.448 221 V N 2.930 122.629 119.914 -0.359 0.000 2.370 221 V HA -0.297 3.823 4.120 -0.000 0.000 0.252 221 V C 1.939 177.844 176.094 -0.316 0.000 1.068 221 V CA 2.602 64.602 62.300 -0.501 0.000 1.061 221 V CB -0.435 30.691 31.823 -1.161 0.000 0.656 221 V HN 1.059 nan 8.190 nan 0.000 0.455 222 D N -1.149 119.105 120.400 -0.243 0.000 2.348 222 D HA -0.094 4.546 4.640 -0.000 0.000 0.216 222 D C 1.963 178.211 176.300 -0.088 0.000 0.970 222 D CA 1.260 55.173 54.000 -0.145 0.000 0.889 222 D CB -0.029 40.703 40.800 -0.113 0.000 0.912 222 D HN 0.563 nan 8.370 nan 0.000 0.524 223 S N 0.389 116.043 115.700 -0.077 0.000 2.387 223 S HA -0.059 4.411 4.470 -0.000 0.000 0.221 223 S C 2.102 176.707 174.600 0.009 0.000 1.041 223 S CA 0.870 59.056 58.200 -0.024 0.000 0.959 223 S CB -0.204 62.991 63.200 -0.008 0.000 0.843 223 S HN 0.292 nan 8.310 nan 0.000 0.488 224 T N 3.021 117.569 114.554 -0.009 0.000 2.778 224 T HA -0.099 4.251 4.350 -0.000 0.000 0.269 224 T C 2.075 176.764 174.700 -0.019 0.000 1.050 224 T CA 1.258 63.365 62.100 0.011 0.000 1.137 224 T CB -0.526 68.279 68.868 -0.105 0.000 0.860 224 T HN 0.448 nan 8.240 nan 0.000 0.468 225 A N 1.817 124.606 122.820 -0.051 0.000 1.858 225 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 225 A C 2.391 179.975 177.584 0.000 0.000 1.190 225 A CA 1.672 53.685 52.037 -0.039 0.000 0.617 225 A CB -0.713 18.256 19.000 -0.052 0.000 0.827 225 A HN 0.451 nan 8.150 nan 0.000 0.443 226 M N -0.967 118.637 119.600 0.007 0.000 2.065 226 M HA -0.200 4.280 4.480 -0.000 0.000 0.259 226 M C 2.345 178.677 176.300 0.054 0.000 1.069 226 M CA 1.431 56.745 55.300 0.022 0.000 1.110 226 M CB -0.622 31.985 32.600 0.012 0.000 1.328 226 M HN 0.364 nan 8.290 nan 0.000 0.405 227 Q N 0.476 120.332 119.800 0.094 0.000 2.234 227 Q HA -0.052 4.288 4.340 -0.000 0.000 0.206 227 Q C 1.989 178.134 176.000 0.241 0.000 0.980 227 Q CA 1.192 57.092 55.803 0.162 0.000 0.869 227 Q CB -0.497 28.393 28.738 0.254 0.000 0.912 227 Q HN 0.604 nan 8.270 nan 0.000 0.436 228 L N -0.159 121.175 121.223 0.186 0.000 2.551 228 L HA -0.087 4.253 4.340 -0.000 0.000 0.228 228 L C 1.634 178.562 176.870 0.096 0.000 1.153 228 L CA 0.281 55.206 54.840 0.143 0.000 0.851 228 L CB -0.058 42.005 42.059 0.007 0.000 0.959 228 L HN 0.175 nan 8.230 nan 0.000 0.451 229 I N -1.162 119.453 120.570 0.075 0.000 3.300 229 I HA 0.060 4.230 4.170 -0.000 0.000 0.279 229 I C 2.575 178.719 176.117 0.046 0.000 1.172 229 I CA 0.937 62.266 61.300 0.049 0.000 1.431 229 I CB -1.184 36.835 38.000 0.032 0.000 1.240 229 I HN 0.026 nan 8.210 nan 0.000 0.453 230 A N 0.830 123.678 122.820 0.046 0.000 1.872 230 A HA -0.101 4.219 4.320 -0.000 0.000 0.214 230 A C 1.271 178.868 177.584 0.021 0.000 1.187 230 A CA 1.855 53.909 52.037 0.028 0.000 0.614 230 A CB -0.337 18.674 19.000 0.020 0.000 0.826 230 A HN 0.457 nan 8.150 nan 0.000 0.442 231 N N -1.552 117.166 118.700 0.030 0.000 2.666 231 N HA 0.151 4.891 4.740 -0.000 0.000 0.253 231 N C -2.452 173.067 175.510 0.015 0.000 1.621 231 N CA -1.116 51.932 53.050 -0.004 0.000 0.785 231 N CB 0.904 39.357 38.487 -0.057 0.000 1.332 231 N HN 0.008 nan 8.380 nan 0.000 0.514 232 P HA 0.007 nan 4.420 nan 0.000 0.228 232 P C 1.159 178.585 177.300 0.210 0.000 1.151 232 P CA 0.725 63.985 63.100 0.267 0.000 0.770 232 P CB 0.014 31.827 31.700 0.188 0.000 0.786 233 G N 0.805 109.636 108.800 0.051 0.000 2.848 233 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.208 233 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.208 233 G C 1.402 176.266 174.900 -0.061 0.000 1.152 233 G CA 0.053 45.162 45.100 0.015 0.000 0.789 233 G HN 0.489 nan 8.290 nan 0.000 0.531 234 Q N -0.698 118.969 119.800 -0.222 0.000 2.392 234 Q HA 0.226 4.566 4.340 -0.000 0.000 0.203 234 Q C -0.276 175.509 176.000 -0.359 0.000 0.917 234 Q CA -0.225 55.373 55.803 -0.343 0.000 0.939 234 Q CB -0.004 28.426 28.738 -0.514 0.000 1.063 234 Q HN 0.293 nan 8.270 nan 0.000 0.516 235 F N 0.852 120.795 119.950 -0.011 0.000 2.397 235 F HA 0.307 4.834 4.527 -0.000 0.000 0.331 235 F C 0.762 176.556 175.800 -0.010 0.000 1.090 235 F CA -0.995 56.997 58.000 -0.014 0.000 1.065 235 F CB 1.419 40.411 39.000 -0.013 0.000 1.184 235 F HN -0.073 nan 8.300 nan 0.000 0.499 236 D N 0.442 120.959 120.400 0.195 0.000 3.013 236 D HA 0.189 4.829 4.640 -0.000 0.000 0.256 236 D C -0.568 175.787 176.300 0.091 0.000 1.573 236 D CA 0.710 54.774 54.000 0.106 0.000 1.197 236 D CB 0.318 41.157 40.800 0.065 0.000 1.041 236 D HN 0.107 nan 8.370 nan 0.000 0.304 237 V N 1.493 121.441 119.914 0.057 0.000 2.630 237 V HA 0.493 4.613 4.120 -0.000 0.000 0.305 237 V C -0.048 176.041 176.094 -0.007 0.000 1.046 237 V CA -0.636 61.668 62.300 0.008 0.000 0.934 237 V CB 1.937 33.741 31.823 -0.032 0.000 1.003 237 V HN 0.191 nan 8.190 nan 0.000 0.451 238 I N 3.481 124.022 120.570 -0.047 0.000 2.533 238 I HA 0.536 4.706 4.170 -0.000 0.000 0.290 238 I C -1.046 175.046 176.117 -0.041 0.000 1.056 238 I CA -0.757 60.500 61.300 -0.072 0.000 1.057 238 I CB 2.215 40.104 38.000 -0.184 0.000 1.240 238 I HN 0.349 nan 8.210 nan 0.000 0.423 239 V N 5.611 125.528 119.914 0.006 0.000 2.656 239 V HA 0.778 4.898 4.120 -0.000 0.000 0.307 239 V C -0.569 175.644 176.094 0.200 0.000 1.051 239 V CA 0.148 62.515 62.300 0.111 0.000 0.893 239 V CB 2.209 34.100 31.823 0.113 0.000 0.999 239 V HN 0.892 nan 8.190 nan 0.000 0.426 240 T N 3.493 118.150 114.554 0.171 0.000 2.739 240 T HA 0.421 4.771 4.350 -0.000 0.000 0.303 240 T C -0.752 173.823 174.700 -0.208 0.000 1.389 240 T CA 0.008 62.003 62.100 -0.175 0.000 1.001 240 T CB 1.753 70.561 68.868 -0.101 0.000 1.436 240 T HN 1.005 nan 8.240 nan 0.000 0.500 241 E N 1.383 121.234 120.200 -0.580 0.000 2.620 241 E HA 0.313 4.663 4.350 -0.000 0.000 0.255 241 E C 0.998 177.504 176.600 -0.157 0.000 1.346 241 E CA -0.587 55.629 56.400 -0.307 0.000 1.013 241 E CB 0.322 29.735 29.700 -0.478 0.000 1.131 241 E HN 0.480 nan 8.360 nan 0.000 0.608 242 N N -0.141 118.499 118.700 -0.100 0.000 2.043 242 N HA -0.204 4.536 4.740 -0.000 0.000 0.193 242 N C 1.608 176.884 175.510 -0.391 0.000 1.037 242 N CA 1.847 54.776 53.050 -0.202 0.000 0.851 242 N CB -0.271 38.045 38.487 -0.284 0.000 1.027 242 N HN 0.589 nan 8.380 nan 0.000 0.422 243 M N 0.024 119.266 119.600 -0.597 0.000 2.099 243 M HA -0.033 4.447 4.480 -0.000 0.000 0.262 243 M C 1.507 177.705 176.300 -0.170 0.000 1.067 243 M CA 1.386 56.389 55.300 -0.495 0.000 1.124 243 M CB -0.667 31.593 32.600 -0.566 0.000 1.353 243 M HN 0.041 nan 8.290 nan 0.000 0.410 244 F N -0.294 119.571 119.950 -0.142 0.000 2.146 244 F HA 0.159 4.686 4.527 -0.000 0.000 0.298 244 F C 2.514 178.257 175.800 -0.095 0.000 1.096 244 F CA 0.939 58.865 58.000 -0.124 0.000 1.275 244 F CB -2.058 36.833 39.000 -0.182 0.000 1.008 244 F HN 0.270 nan 8.300 nan 0.000 0.480 245 G N -0.421 108.416 108.800 0.062 0.000 2.442 245 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.219 245 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.219 245 G C 1.381 176.311 174.900 0.051 0.000 1.141 245 G CA 1.293 46.416 45.100 0.039 0.000 0.763 245 G HN 0.356 nan 8.290 nan 0.000 0.554 246 D N 0.280 120.721 120.400 0.067 0.000 2.097 246 D HA -0.114 4.526 4.640 -0.000 0.000 0.195 246 D C 2.498 178.848 176.300 0.084 0.000 0.989 246 D CA 0.764 54.826 54.000 0.104 0.000 0.827 246 D CB -0.102 40.810 40.800 0.186 0.000 0.966 246 D HN 0.228 nan 8.370 nan 0.000 0.456 247 I N 0.348 120.971 120.570 0.088 0.000 2.193 247 I HA -0.168 4.002 4.170 -0.000 0.000 0.240 247 I C 2.593 178.731 176.117 0.035 0.000 1.084 247 I CA 0.722 62.064 61.300 0.069 0.000 1.365 247 I CB -1.298 36.753 38.000 0.084 0.000 1.064 247 I HN 0.163 nan 8.210 nan 0.000 0.410 248 L N 0.464 121.701 121.223 0.023 0.000 2.079 248 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 248 L C 2.703 179.558 176.870 -0.025 0.000 1.081 248 L CA 1.176 56.001 54.840 -0.024 0.000 0.752 248 L CB -0.595 41.430 42.059 -0.056 0.000 0.896 248 L HN 0.199 nan 8.230 nan 0.000 0.433 249 S N -0.499 115.199 115.700 -0.002 0.000 2.382 249 S HA -0.183 4.287 4.470 -0.000 0.000 0.228 249 S C 1.484 176.091 174.600 0.012 0.000 1.027 249 S CA 1.367 59.568 58.200 0.002 0.000 0.991 249 S CB -0.197 63.014 63.200 0.018 0.000 0.823 249 S HN 0.425 nan 8.310 nan 0.000 0.469 250 D N 1.196 121.608 120.400 0.020 0.000 2.123 250 D HA 0.031 4.671 4.640 -0.000 0.000 0.200 250 D C 1.859 178.170 176.300 0.017 0.000 0.976 250 D CA 0.480 54.494 54.000 0.024 0.000 0.831 250 D CB -0.272 40.546 40.800 0.030 0.000 0.974 250 D HN 0.180 nan 8.370 nan 0.000 0.469 251 L N 0.316 121.544 121.223 0.009 0.000 2.079 251 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 251 L C 2.095 178.967 176.870 0.004 0.000 1.081 251 L CA 1.291 56.134 54.840 0.005 0.000 0.752 251 L CB -0.260 41.795 42.059 -0.007 0.000 0.896 251 L HN 0.023 nan 8.230 nan 0.000 0.433 252 A N -0.968 121.848 122.820 -0.006 0.000 1.969 252 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 252 A C 2.333 179.929 177.584 0.020 0.000 1.169 252 A CA 1.639 53.675 52.037 -0.003 0.000 0.635 252 A CB -0.429 18.557 19.000 -0.023 0.000 0.810 252 A HN 0.520 nan 8.150 nan 0.000 0.445 253 S N -0.065 115.649 115.700 0.024 0.000 2.400 253 S HA -0.141 4.329 4.470 -0.000 0.000 0.232 253 S C 1.570 176.194 174.600 0.040 0.000 1.025 253 S CA 1.584 59.805 58.200 0.036 0.000 0.993 253 S CB -0.665 62.556 63.200 0.036 0.000 0.808 253 S HN 1.023 nan 8.310 nan 0.000 0.478 254 V N 0.341 120.275 119.914 0.034 0.000 3.444 254 V HA 0.372 4.492 4.120 -0.000 0.000 0.308 254 V C 1.237 177.352 176.094 0.035 0.000 1.371 254 V CA -0.082 62.238 62.300 0.034 0.000 1.141 254 V CB -1.032 30.808 31.823 0.028 0.000 1.037 254 V HN 0.640 nan 8.190 nan 0.000 0.433 255 I N -1.082 119.511 120.570 0.037 0.000 3.603 255 I HA 0.138 4.308 4.170 -0.000 0.000 0.297 255 I C 1.785 177.929 176.117 0.045 0.000 1.269 255 I CA 1.208 62.532 61.300 0.039 0.000 1.361 255 I CB -0.245 37.779 38.000 0.040 0.000 1.063 255 I HN 0.314 nan 8.210 nan 0.000 0.448 256 T N -3.137 111.448 114.554 0.053 0.000 2.990 256 T HA 0.419 4.769 4.350 -0.000 0.000 0.249 256 T C 1.652 176.393 174.700 0.068 0.000 1.039 256 T CA 0.573 62.711 62.100 0.063 0.000 1.036 256 T CB 0.524 69.440 68.868 0.080 0.000 0.994 256 T HN 0.557 nan 8.240 nan 0.000 0.489 257 G N 1.662 110.499 108.800 0.061 0.000 2.176 257 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.253 257 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.253 257 G C 1.013 175.952 174.900 0.066 0.000 0.979 257 G CA 0.809 45.942 45.100 0.056 0.000 0.641 257 G HN 1.225 nan 8.290 nan 0.000 0.530 258 S N -0.656 115.098 115.700 0.090 0.000 2.593 258 S HA 0.515 4.985 4.470 -0.000 0.000 0.217 258 S C 1.169 175.817 174.600 0.080 0.000 0.966 258 S CA 0.516 58.779 58.200 0.104 0.000 0.914 258 S CB 0.416 63.729 63.200 0.188 0.000 0.776 258 S HN 1.075 nan 8.310 nan 0.000 0.523 259 L N 2.185 123.449 121.223 0.069 0.000 2.492 259 L HA 0.448 4.788 4.340 -0.000 0.000 0.280 259 L C 1.483 178.391 176.870 0.063 0.000 1.240 259 L CA 1.979 56.858 54.840 0.066 0.000 0.831 259 L CB -0.412 41.680 42.059 0.055 0.000 1.100 259 L HN 0.521 nan 8.230 nan 0.000 0.505 260 G N 2.621 111.472 108.800 0.086 0.000 2.212 260 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.266 260 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.266 260 G C 0.693 175.652 174.900 0.097 0.000 0.978 260 G CA 0.821 45.969 45.100 0.081 0.000 0.632 260 G HN 0.700 nan 8.290 nan 0.000 0.537 261 M N -0.376 119.280 119.600 0.094 0.000 2.163 261 M HA 0.445 4.925 4.480 -0.000 0.000 0.356 261 M C 0.291 176.644 176.300 0.089 0.000 0.863 261 M CA -0.010 55.332 55.300 0.071 0.000 1.113 261 M CB 0.564 33.157 32.600 -0.011 0.000 2.038 261 M HN 0.077 nan 8.290 nan 0.000 0.691 262 L N 4.694 125.977 121.223 0.100 0.000 2.462 262 L HA 0.216 4.556 4.340 -0.000 0.000 0.272 262 L C -2.079 174.838 176.870 0.079 0.000 1.166 262 L CA -1.397 53.500 54.840 0.096 0.000 0.880 262 L CB -0.171 41.940 42.059 0.085 0.000 1.142 262 L HN 0.051 nan 8.230 nan 0.000 0.473 263 P HA 0.158 nan 4.420 nan 0.000 0.276 263 P C -0.870 176.480 177.300 0.084 0.000 1.252 263 P CA -0.484 62.669 63.100 0.088 0.000 0.802 263 P CB 1.893 33.664 31.700 0.118 0.000 1.035 264 S N -0.457 115.293 115.700 0.083 0.000 2.540 264 S HA 0.700 5.170 4.470 -0.000 0.000 0.275 264 S C -1.664 172.939 174.600 0.006 0.000 1.123 264 S CA -0.627 57.597 58.200 0.041 0.000 0.907 264 S CB 0.778 63.974 63.200 -0.007 0.000 1.081 264 S HN 0.622 nan 8.310 nan 0.000 0.476 265 A N 2.907 125.684 122.820 -0.072 0.000 2.414 265 A HA 0.690 5.010 4.320 -0.000 0.000 0.286 265 A C -0.701 176.689 177.584 -0.323 0.000 1.073 265 A CA -0.588 51.259 52.037 -0.317 0.000 0.727 265 A CB 1.378 20.307 19.000 -0.119 0.000 1.215 265 A HN 0.693 nan 8.150 nan 0.000 0.430 266 S N 3.090 118.556 115.700 -0.389 0.000 2.410 266 S HA 0.604 5.074 4.470 -0.000 0.000 0.304 266 S C 0.240 174.633 174.600 -0.345 0.000 1.095 266 S CA -0.386 57.647 58.200 -0.279 0.000 1.089 266 S CB 0.192 63.278 63.200 -0.191 0.000 0.968 266 S HN 0.597 nan 8.310 nan 0.000 0.480 267 L N 3.192 124.208 121.223 -0.345 0.000 2.793 267 L HA 0.748 5.088 4.340 -0.000 0.000 0.242 267 L C 0.701 177.267 176.870 -0.507 0.000 1.315 267 L CA -1.189 53.433 54.840 -0.363 0.000 1.263 267 L CB 0.740 42.595 42.059 -0.340 0.000 2.076 267 L HN 0.684 nan 8.230 nan 0.000 0.575 268 R N -2.289 117.886 120.500 -0.541 0.000 3.808 268 R HA 0.335 4.675 4.340 -0.000 0.000 0.256 268 R C 0.493 176.555 176.300 -0.396 0.000 0.977 268 R CA -0.129 55.465 56.100 -0.842 0.000 0.804 268 R CB 0.362 30.425 30.300 -0.395 0.000 1.731 268 R HN 0.342 nan 8.270 nan 0.000 0.393 269 S N 1.147 116.816 115.700 -0.052 0.000 2.462 269 S HA -0.210 4.260 4.470 -0.000 0.000 0.219 269 S C 0.735 175.368 174.600 0.054 0.000 1.048 269 S CA 1.909 60.196 58.200 0.145 0.000 1.119 269 S CB -0.866 62.429 63.200 0.160 0.000 1.100 269 S HN 0.746 nan 8.310 nan 0.000 0.411 270 D N 0.923 121.347 120.400 0.040 0.000 2.158 270 D HA 0.043 4.683 4.640 -0.000 0.000 0.275 270 D C 1.220 177.530 176.300 0.016 0.000 1.170 270 D CA -0.063 53.958 54.000 0.034 0.000 1.007 270 D CB -0.009 40.815 40.800 0.040 0.000 1.144 270 D HN -0.017 nan 8.370 nan 0.000 0.509 271 R N -1.701 118.811 120.500 0.020 0.000 2.280 271 R HA 0.169 4.509 4.340 -0.000 0.000 0.195 271 R C 0.292 176.577 176.300 -0.026 0.000 0.935 271 R CA -0.470 55.617 56.100 -0.023 0.000 1.033 271 R CB -0.849 29.407 30.300 -0.072 0.000 0.964 271 R HN 0.392 nan 8.270 nan 0.000 0.489 272 F N 1.200 121.092 119.950 -0.097 0.000 2.563 272 F HA 0.307 4.834 4.527 -0.000 0.000 0.363 272 F C 0.626 176.380 175.800 -0.077 0.000 1.123 272 F CA 0.709 58.661 58.000 -0.080 0.000 1.307 272 F CB 0.740 39.704 39.000 -0.061 0.000 1.115 272 F HN 0.034 nan 8.300 nan 0.000 0.592 273 G N 5.710 114.032 108.800 -0.796 0.000 2.673 273 G HA2 0.448 4.408 3.960 -0.000 0.000 0.292 273 G HA3 0.448 4.408 3.960 -0.000 0.000 0.292 273 G C -2.122 172.405 174.900 -0.621 0.000 1.450 273 G CA -1.064 43.702 45.100 -0.557 0.000 0.837 273 G HN 0.806 nan 8.290 nan 0.000 0.505 274 M N 0.977 120.216 119.600 -0.601 0.000 2.364 274 M HA 0.765 5.245 4.480 -0.000 0.000 0.334 274 M C -1.754 174.158 176.300 -0.647 0.000 1.107 274 M CA -0.765 54.296 55.300 -0.399 0.000 0.988 274 M CB 1.422 33.896 32.600 -0.210 0.000 1.673 274 M HN 0.518 nan 8.290 nan 0.000 0.441 275 Y N 2.418 122.678 120.300 -0.067 0.000 2.499 275 Y HA 0.655 5.205 4.550 -0.000 0.000 0.347 275 Y C -0.561 175.323 175.900 -0.026 0.000 0.987 275 Y CA -0.692 57.391 58.100 -0.029 0.000 1.044 275 Y CB 1.754 40.209 38.460 -0.008 0.000 1.245 275 Y HN 0.663 nan 8.280 nan 0.000 0.461 276 E N 2.270 122.518 120.200 0.081 0.000 2.388 276 E HA 0.400 4.750 4.350 -0.000 0.000 0.282 276 E C -3.472 173.108 176.600 -0.033 0.000 1.026 276 E CA -2.237 54.169 56.400 0.009 0.000 0.820 276 E CB 2.864 32.544 29.700 -0.033 0.000 1.226 276 E HN 0.201 nan 8.360 nan 0.000 0.432 277 P HA 0.037 nan 4.420 nan 0.000 0.275 277 P C 0.623 177.790 177.300 -0.221 0.000 1.266 277 P CA -0.470 62.515 63.100 -0.192 0.000 0.793 277 P CB 1.151 32.603 31.700 -0.413 0.000 1.074 278 V N -0.742 119.082 119.914 -0.150 0.000 2.878 278 V HA -0.066 4.054 4.120 -0.000 0.000 0.250 278 V C 1.302 177.357 176.094 -0.065 0.000 1.075 278 V CA 1.120 63.378 62.300 -0.070 0.000 1.096 278 V CB -1.775 30.055 31.823 0.011 0.000 0.724 278 V HN 0.700 nan 8.190 nan 0.000 0.467 279 H N -0.247 118.838 119.070 0.024 0.000 2.745 279 H HA 0.510 5.066 4.556 -0.000 0.000 0.373 279 H C 0.766 176.106 175.328 0.020 0.000 1.226 279 H CA 0.179 56.239 56.048 0.021 0.000 1.435 279 H CB 0.052 29.825 29.762 0.018 0.000 1.461 279 H HN 0.111 nan 8.280 nan 0.000 0.616 280 G N -0.658 108.265 108.800 0.206 0.000 2.504 280 G HA2 0.214 4.174 3.960 -0.000 0.000 0.257 280 G HA3 0.214 4.174 3.960 -0.000 0.000 0.257 280 G C 0.729 175.749 174.900 0.200 0.000 1.451 280 G CA -0.264 44.918 45.100 0.136 0.000 1.059 280 G HN 0.848 nan 8.290 nan 0.000 0.550 281 S N -1.566 114.211 115.700 0.128 0.000 2.548 281 S HA 0.371 4.841 4.470 -0.000 0.000 0.215 281 S C 1.482 176.142 174.600 0.100 0.000 0.976 281 S CA 1.070 59.344 58.200 0.123 0.000 0.908 281 S CB -0.095 63.165 63.200 0.100 0.000 0.781 281 S HN 2.066 nan 8.310 nan 0.000 0.519 282 A N 3.020 125.890 122.820 0.083 0.000 2.208 282 A HA -0.119 4.200 4.320 -0.000 0.000 0.277 282 A C -0.251 177.359 177.584 0.044 0.000 1.377 282 A CA 0.723 52.788 52.037 0.046 0.000 0.758 282 A CB -1.713 17.294 19.000 0.011 0.000 1.122 282 A HN 0.588 nan 8.150 nan 0.000 0.350 283 P HA -0.262 nan 4.420 nan 0.000 0.216 283 P C 0.954 178.275 177.300 0.034 0.000 1.157 283 P CA 1.881 65.017 63.100 0.060 0.000 0.880 283 P CB -0.214 31.530 31.700 0.073 0.000 0.791 284 D N -0.718 119.695 120.400 0.023 0.000 2.311 284 D HA -0.138 4.502 4.640 -0.000 0.000 0.212 284 D C 1.621 177.925 176.300 0.007 0.000 0.972 284 D CA 0.769 54.775 54.000 0.010 0.000 0.887 284 D CB -0.863 39.941 40.800 0.006 0.000 0.915 284 D HN 0.181 nan 8.370 nan 0.000 0.497 285 I N 0.439 121.014 120.570 0.008 0.000 3.956 285 I HA 0.267 4.437 4.170 -0.000 0.000 0.333 285 I C 0.936 177.057 176.117 0.006 0.000 1.302 285 I CA -0.619 60.682 61.300 0.001 0.000 1.122 285 I CB -1.012 36.983 38.000 -0.009 0.000 1.013 285 I HN -0.028 nan 8.210 nan 0.000 0.405 286 A N 0.461 123.291 122.820 0.017 0.000 2.547 286 A HA 0.347 4.667 4.320 -0.000 0.000 0.233 286 A C 1.714 179.307 177.584 0.015 0.000 1.067 286 A CA 1.044 53.095 52.037 0.024 0.000 0.763 286 A CB -0.331 18.692 19.000 0.039 0.000 1.007 286 A HN 0.705 nan 8.150 nan 0.000 0.506 287 G N 0.442 109.251 108.800 0.015 0.000 2.855 287 G HA2 -0.447 3.513 3.960 -0.000 0.000 0.231 287 G HA3 -0.447 3.513 3.960 -0.000 0.000 0.231 287 G C 1.142 176.043 174.900 0.002 0.000 1.242 287 G CA 1.106 46.212 45.100 0.009 0.000 0.789 287 G HN 0.894 nan 8.290 nan 0.000 0.517 288 Q N 0.529 120.329 119.800 0.000 0.000 2.290 288 Q HA 0.146 4.486 4.340 -0.000 0.000 0.211 288 Q C 1.854 177.850 176.000 -0.007 0.000 0.991 288 Q CA 1.473 57.274 55.803 -0.004 0.000 0.893 288 Q CB -0.478 28.257 28.738 -0.005 0.000 0.913 288 Q HN 2.043 nan 8.270 nan 0.000 0.428 289 G N 0.853 109.648 108.800 -0.008 0.000 2.326 289 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.286 289 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.286 289 G C -0.006 174.884 174.900 -0.016 0.000 1.096 289 G CA 0.560 45.653 45.100 -0.012 0.000 1.003 289 G HN 0.353 nan 8.290 nan 0.000 0.503 290 K N -0.836 119.552 120.400 -0.019 0.000 2.609 290 K HA 0.530 4.850 4.320 -0.000 0.000 0.195 290 K C 0.981 177.559 176.600 -0.037 0.000 1.144 290 K CA 0.162 56.435 56.287 -0.024 0.000 1.084 290 K CB 1.132 33.621 32.500 -0.019 0.000 0.877 290 K HN 0.736 nan 8.250 nan 0.000 0.540 291 A N 1.370 124.166 122.820 -0.040 0.000 2.371 291 A HA 0.235 4.555 4.320 -0.000 0.000 0.257 291 A C -0.168 177.370 177.584 -0.077 0.000 1.089 291 A CA -0.275 51.721 52.037 -0.067 0.000 0.794 291 A CB 0.227 19.196 19.000 -0.050 0.000 1.029 291 A HN 0.196 nan 8.150 nan 0.000 0.488 292 N N 2.148 120.770 118.700 -0.130 0.000 2.402 292 N HA 0.215 4.955 4.740 -0.000 0.000 0.252 292 N C -1.695 173.773 175.510 -0.070 0.000 1.118 292 N CA -1.931 51.056 53.050 -0.106 0.000 0.945 292 N CB 1.190 39.598 38.487 -0.132 0.000 1.147 292 N HN 0.350 nan 8.380 nan 0.000 0.495 293 P HA -0.017 nan 4.420 nan 0.000 0.235 293 P C 1.608 178.926 177.300 0.029 0.000 1.177 293 P CA 0.343 63.451 63.100 0.014 0.000 0.785 293 P CB 0.705 32.402 31.700 -0.005 0.000 0.885 294 L N 0.180 121.405 121.223 0.002 0.000 1.990 294 L HA -0.162 4.178 4.340 -0.000 0.000 0.213 294 L C 2.863 179.752 176.870 0.032 0.000 1.072 294 L CA 2.166 57.001 54.840 -0.008 0.000 0.755 294 L CB -1.811 40.214 42.059 -0.057 0.000 0.889 294 L HN 0.066 nan 8.230 nan 0.000 0.432 295 G N -0.962 107.892 108.800 0.091 0.000 2.505 295 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.220 295 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.220 295 G C 1.522 176.484 174.900 0.103 0.000 1.145 295 G CA 1.609 46.795 45.100 0.143 0.000 0.761 295 G HN 0.364 nan 8.290 nan 0.000 0.571 296 T N 0.197 114.821 114.554 0.117 0.000 3.014 296 T HA 0.045 4.395 4.350 -0.000 0.000 0.263 296 T C 2.499 177.227 174.700 0.047 0.000 1.078 296 T CA 0.686 62.827 62.100 0.068 0.000 1.135 296 T CB 0.067 68.980 68.868 0.075 0.000 0.895 296 T HN 0.077 nan 8.240 nan 0.000 0.480 297 V N 1.793 121.729 119.914 0.037 0.000 2.343 297 V HA -0.089 4.031 4.120 -0.000 0.000 0.247 297 V C 2.418 178.522 176.094 0.017 0.000 1.051 297 V CA 1.417 63.727 62.300 0.016 0.000 1.036 297 V CB -0.591 31.234 31.823 0.004 0.000 0.654 297 V HN 0.455 nan 8.190 nan 0.000 0.451 298 L N -0.496 120.745 121.223 0.030 0.000 2.141 298 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 298 L C 2.605 179.502 176.870 0.045 0.000 1.094 298 L CA 1.284 56.150 54.840 0.043 0.000 0.763 298 L CB -0.558 41.542 42.059 0.068 0.000 0.908 298 L HN 0.302 nan 8.230 nan 0.000 0.437 299 S N 0.037 115.773 115.700 0.060 0.000 2.356 299 S HA -0.195 4.275 4.470 -0.000 0.000 0.223 299 S C 2.220 176.817 174.600 -0.005 0.000 1.032 299 S CA 1.300 59.559 58.200 0.098 0.000 1.005 299 S CB -0.255 63.018 63.200 0.122 0.000 0.867 299 S HN 0.519 nan 8.310 nan 0.000 0.449 300 A N 1.457 124.261 122.820 -0.026 0.000 1.940 300 A HA 0.050 4.370 4.320 -0.000 0.000 0.219 300 A C 2.327 179.834 177.584 -0.129 0.000 1.176 300 A CA 1.768 53.756 52.037 -0.081 0.000 0.631 300 A CB -1.026 17.959 19.000 -0.025 0.000 0.814 300 A HN 0.522 nan 8.150 nan 0.000 0.446 301 A N -0.182 122.590 122.820 -0.081 0.000 1.902 301 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 301 A C 2.172 179.651 177.584 -0.176 0.000 1.181 301 A CA 1.491 53.473 52.037 -0.092 0.000 0.623 301 A CB -0.600 18.378 19.000 -0.035 0.000 0.818 301 A HN 0.479 nan 8.150 nan 0.000 0.443 302 L N -1.169 119.956 121.223 -0.162 0.000 2.012 302 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 302 L C 2.860 179.458 176.870 -0.453 0.000 1.073 302 L CA 1.875 56.593 54.840 -0.204 0.000 0.748 302 L CB -0.489 41.697 42.059 0.212 0.000 0.891 302 L HN 0.579 nan 8.230 nan 0.000 0.431 303 M N -0.125 118.952 119.600 -0.872 0.000 2.108 303 M HA -0.257 4.223 4.480 -0.000 0.000 0.261 303 M C 2.266 178.363 176.300 -0.338 0.000 1.066 303 M CA 1.915 56.499 55.300 -1.193 0.000 1.107 303 M CB -0.092 31.936 32.600 -0.953 0.000 1.356 303 M HN 0.230 nan 8.290 nan 0.000 0.406 304 L N -0.627 120.485 121.223 -0.185 0.000 2.093 304 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 304 L C 2.719 179.556 176.870 -0.054 0.000 1.085 304 L CA 1.248 56.081 54.840 -0.011 0.000 0.755 304 L CB -0.652 41.356 42.059 -0.085 0.000 0.904 304 L HN 0.393 nan 8.230 nan 0.000 0.435 305 R N -0.992 119.370 120.500 -0.229 0.000 2.090 305 R HA -0.147 4.193 4.340 -0.000 0.000 0.228 305 R C 2.151 178.312 176.300 -0.233 0.000 1.110 305 R CA 1.381 57.301 56.100 -0.300 0.000 0.973 305 R CB -0.007 29.977 30.300 -0.527 0.000 0.869 305 R HN 0.224 nan 8.270 nan 0.000 0.440 306 Y N -0.886 119.410 120.300 -0.007 0.000 2.353 306 Y HA 0.236 4.786 4.550 -0.000 0.000 0.294 306 Y C 2.459 178.301 175.900 -0.097 0.000 1.135 306 Y CA 0.458 58.558 58.100 -0.002 0.000 1.176 306 Y CB -0.296 38.215 38.460 0.085 0.000 1.124 306 Y HN -0.035 nan 8.280 nan 0.000 0.537 307 S N -0.448 115.204 115.700 -0.080 0.000 2.428 307 S HA -0.026 4.444 4.470 -0.000 0.000 0.230 307 S C 0.998 175.098 174.600 -0.832 0.000 1.014 307 S CA 1.186 59.083 58.200 -0.506 0.000 0.957 307 S CB -0.283 62.442 63.200 -0.793 0.000 0.784 307 S HN 0.364 nan 8.310 nan 0.000 0.499 308 F N -0.577 119.350 119.950 -0.039 0.000 2.784 308 F HA 0.384 4.911 4.527 -0.000 0.000 0.323 308 F C 1.757 177.524 175.800 -0.056 0.000 1.085 308 F CA 0.086 58.047 58.000 -0.064 0.000 1.196 308 F CB -0.033 38.886 39.000 -0.134 0.000 1.053 308 F HN 0.206 nan 8.300 nan 0.000 0.578 309 G N 1.228 110.078 108.800 0.083 0.000 2.184 309 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.264 309 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.264 309 G C 0.406 175.326 174.900 0.033 0.000 0.975 309 G CA 0.142 45.275 45.100 0.055 0.000 0.642 309 G HN 0.295 nan 8.290 nan 0.000 0.536 310 L N 1.098 122.336 121.223 0.024 0.000 2.388 310 L HA 0.287 4.627 4.340 -0.000 0.000 0.252 310 L C 1.795 178.648 176.870 -0.029 0.000 1.357 310 L CA 0.305 55.127 54.840 -0.030 0.000 1.214 310 L CB 0.227 42.206 42.059 -0.134 0.000 1.392 310 L HN 0.323 nan 8.230 nan 0.000 0.432 311 E N 1.952 122.144 120.200 -0.013 0.000 2.051 311 E HA -0.255 4.095 4.350 -0.000 0.000 0.192 311 E C 2.074 178.665 176.600 -0.014 0.000 0.991 311 E CA 1.635 58.022 56.400 -0.023 0.000 0.799 311 E CB 0.168 29.866 29.700 -0.004 0.000 0.748 311 E HN 0.489 nan 8.360 nan 0.000 0.449 312 K N 0.045 120.448 120.400 0.006 0.000 2.032 312 K HA -0.218 4.102 4.320 -0.000 0.000 0.209 312 K C 1.952 178.559 176.600 0.012 0.000 1.048 312 K CA 1.787 58.082 56.287 0.014 0.000 0.927 312 K CB -0.091 32.426 32.500 0.027 0.000 0.712 312 K HN 0.028 nan 8.250 nan 0.000 0.441 313 E N 0.203 120.411 120.200 0.013 0.000 2.153 313 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 313 E C 1.734 178.326 176.600 -0.014 0.000 0.988 313 E CA 1.350 57.756 56.400 0.009 0.000 0.811 313 E CB -0.152 29.549 29.700 0.002 0.000 0.746 313 E HN 0.465 nan 8.360 nan 0.000 0.466 314 A N 0.880 123.680 122.820 -0.034 0.000 1.854 314 A HA 0.033 4.353 4.320 -0.000 0.000 0.214 314 A C 2.373 179.943 177.584 -0.023 0.000 1.192 314 A CA 1.512 53.519 52.037 -0.050 0.000 0.611 314 A CB -0.904 18.039 19.000 -0.095 0.000 0.832 314 A HN 0.283 nan 8.150 nan 0.000 0.442 315 A N -0.061 122.750 122.820 -0.016 0.000 2.024 315 A HA 0.105 4.425 4.320 -0.000 0.000 0.220 315 A C 2.414 180.008 177.584 0.017 0.000 1.164 315 A CA 2.118 54.156 52.037 0.002 0.000 0.643 315 A CB -0.911 18.091 19.000 0.003 0.000 0.806 315 A HN 1.036 nan 8.150 nan 0.000 0.451 316 A N 0.320 123.147 122.820 0.013 0.000 1.877 316 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 316 A C 2.050 179.648 177.584 0.024 0.000 1.186 316 A CA 1.617 53.665 52.037 0.019 0.000 0.620 316 A CB -0.502 18.508 19.000 0.017 0.000 0.822 316 A HN 0.438 nan 8.150 nan 0.000 0.443 317 I N 0.073 120.653 120.570 0.018 0.000 2.179 317 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 317 I C 2.321 178.465 176.117 0.046 0.000 1.088 317 I CA 1.773 63.086 61.300 0.021 0.000 1.357 317 I CB -1.695 36.310 38.000 0.008 0.000 1.051 317 I HN 0.483 nan 8.210 nan 0.000 0.409 318 E N 0.949 121.186 120.200 0.061 0.000 2.160 318 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 318 E C 2.148 178.838 176.600 0.150 0.000 0.991 318 E CA 1.084 57.558 56.400 0.124 0.000 0.810 318 E CB -0.063 29.705 29.700 0.113 0.000 0.742 318 E HN 0.510 nan 8.360 nan 0.000 0.466 319 K N 0.489 120.945 120.400 0.092 0.000 2.062 319 K HA -0.017 4.303 4.320 -0.000 0.000 0.205 319 K C 2.224 178.875 176.600 0.086 0.000 1.051 319 K CA 0.932 57.272 56.287 0.088 0.000 0.941 319 K CB -0.069 32.463 32.500 0.053 0.000 0.719 319 K HN 0.031 nan 8.250 nan 0.000 0.440 320 A N 1.080 123.937 122.820 0.062 0.000 2.019 320 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 320 A C 2.273 179.886 177.584 0.048 0.000 1.164 320 A CA 1.175 53.241 52.037 0.049 0.000 0.644 320 A CB -0.479 18.539 19.000 0.031 0.000 0.805 320 A HN 0.062 nan 8.150 nan 0.000 0.449 321 V N 0.104 120.047 119.914 0.048 0.000 2.379 321 V HA -0.200 3.920 4.120 -0.000 0.000 0.245 321 V C 2.305 178.406 176.094 0.011 0.000 1.044 321 V CA 2.294 64.591 62.300 -0.005 0.000 1.036 321 V CB -0.619 31.167 31.823 -0.062 0.000 0.664 321 V HN 0.637 nan 8.190 nan 0.000 0.453 322 D N 0.083 120.568 120.400 0.143 0.000 2.097 322 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 322 D C 1.811 178.183 176.300 0.119 0.000 0.984 322 D CA 1.253 55.387 54.000 0.224 0.000 0.826 322 D CB -0.115 40.861 40.800 0.293 0.000 0.973 322 D HN 0.345 nan 8.370 nan 0.000 0.460 323 D N -0.564 119.892 120.400 0.092 0.000 2.104 323 D HA -0.123 4.517 4.640 -0.000 0.000 0.194 323 D C 2.257 178.601 176.300 0.073 0.000 0.994 323 D CA 0.776 54.818 54.000 0.071 0.000 0.830 323 D CB -0.341 40.497 40.800 0.062 0.000 0.959 323 D HN 0.126 nan 8.370 nan 0.000 0.452 324 V N 0.861 120.823 119.914 0.080 0.000 2.307 324 V HA -0.200 3.920 4.120 -0.000 0.000 0.245 324 V C 2.672 178.829 176.094 0.105 0.000 1.045 324 V CA 1.079 63.453 62.300 0.123 0.000 1.024 324 V CB -0.501 31.383 31.823 0.102 0.000 0.651 324 V HN 0.214 nan 8.190 nan 0.000 0.449 325 L N -0.377 120.878 121.223 0.053 0.000 2.043 325 L HA -0.286 4.054 4.340 -0.000 0.000 0.212 325 L C 2.685 179.565 176.870 0.017 0.000 1.075 325 L CA 1.959 56.815 54.840 0.027 0.000 0.752 325 L CB -0.564 41.492 42.059 -0.004 0.000 0.891 325 L HN 0.378 nan 8.230 nan 0.000 0.432 326 Q N 0.387 120.205 119.800 0.030 0.000 2.135 326 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 326 Q C 1.420 177.401 176.000 -0.032 0.000 0.981 326 Q CA 1.829 57.640 55.803 0.014 0.000 0.856 326 Q CB -0.055 28.703 28.738 0.034 0.000 0.902 326 Q HN 0.406 nan 8.270 nan 0.000 0.425 327 D N -1.534 118.839 120.400 -0.044 0.000 2.371 327 D HA 0.094 4.734 4.640 -0.000 0.000 0.221 327 D C 0.924 177.022 176.300 -0.338 0.000 0.986 327 D CA 1.117 55.028 54.000 -0.148 0.000 0.899 327 D CB 0.092 40.844 40.800 -0.080 0.000 0.902 327 D HN 0.482 nan 8.370 nan 0.000 0.530 328 G N -1.179 107.480 108.800 -0.236 0.000 2.195 328 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.224 328 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.224 328 G C -0.035 174.729 174.900 -0.226 0.000 0.990 328 G CA -0.383 44.569 45.100 -0.246 0.000 0.639 328 G HN 0.225 nan 8.290 nan 0.000 0.514 329 Y N 0.717 121.012 120.300 -0.008 0.000 2.314 329 Y HA 0.576 5.126 4.550 -0.000 0.000 0.334 329 Y C 1.306 177.195 175.900 -0.020 0.000 1.266 329 Y CA -0.389 57.704 58.100 -0.013 0.000 1.391 329 Y CB 0.883 39.335 38.460 -0.013 0.000 1.306 329 Y HN 1.011 nan 8.280 nan 0.000 0.558 330 C N -2.163 117.239 119.300 0.170 0.000 3.076 330 C HA 0.411 4.871 4.460 -0.000 0.000 0.324 330 C C 0.325 175.340 174.990 0.041 0.000 1.360 330 C CA -0.412 58.647 59.018 0.067 0.000 1.210 330 C CB 0.866 28.627 27.740 0.035 0.000 1.407 330 C HN 0.943 nan 8.230 nan 0.000 0.433 331 T N -2.329 112.230 114.554 0.009 0.000 3.266 331 T HA 0.569 4.919 4.350 -0.000 0.000 0.278 331 T C 1.462 176.159 174.700 -0.006 0.000 1.010 331 T CA 1.072 63.169 62.100 -0.004 0.000 0.909 331 T CB -0.136 68.718 68.868 -0.023 0.000 1.122 331 T HN 2.914 nan 8.240 nan 0.000 0.536 332 G N 2.479 111.280 108.800 0.002 0.000 2.353 332 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.258 332 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.258 332 G C 0.893 175.788 174.900 -0.009 0.000 1.013 332 G CA 0.685 45.785 45.100 -0.001 0.000 0.622 332 G HN 0.628 nan 8.290 nan 0.000 0.535 333 D N 0.481 120.870 120.400 -0.018 0.000 2.263 333 D HA 0.014 4.654 4.640 -0.000 0.000 0.208 333 D C 1.160 177.449 176.300 -0.019 0.000 0.971 333 D CA 0.786 54.769 54.000 -0.027 0.000 0.867 333 D CB -0.045 40.725 40.800 -0.049 0.000 0.929 333 D HN 0.452 nan 8.370 nan 0.000 0.492 334 L N 0.262 121.476 121.223 -0.014 0.000 2.400 334 L HA 0.282 4.622 4.340 -0.000 0.000 0.264 334 L C 0.929 177.798 176.870 -0.001 0.000 1.061 334 L CA -0.454 54.381 54.840 -0.008 0.000 0.799 334 L CB 0.976 43.028 42.059 -0.012 0.000 1.240 334 L HN -0.263 nan 8.230 nan 0.000 0.461 335 Q N 0.948 120.751 119.800 0.004 0.000 2.465 335 Q HA 0.264 4.604 4.340 -0.000 0.000 0.361 335 Q C -0.789 175.215 176.000 0.006 0.000 0.957 335 Q CA -0.358 55.448 55.803 0.006 0.000 1.065 335 Q CB 0.574 29.318 28.738 0.009 0.000 1.274 335 Q HN 0.495 nan 8.270 nan 0.000 0.421 336 V N 0.310 120.225 119.914 0.003 0.000 3.367 336 V HA -0.030 4.090 4.120 -0.000 0.000 0.304 336 V C 1.477 177.568 176.094 -0.004 0.000 1.131 336 V CA 0.568 62.868 62.300 0.000 0.000 1.233 336 V CB -0.120 31.701 31.823 -0.003 0.000 1.021 336 V HN 0.509 nan 8.190 nan 0.000 0.497 337 A N 2.132 124.947 122.820 -0.008 0.000 2.802 337 A HA -0.007 4.313 4.320 -0.000 0.000 0.204 337 A C 1.177 178.749 177.584 -0.020 0.000 1.677 337 A CA 0.613 52.643 52.037 -0.012 0.000 1.023 337 A CB -0.494 18.497 19.000 -0.015 0.000 1.619 337 A HN 0.928 nan 8.150 nan 0.000 0.751 338 N N 1.249 119.932 118.700 -0.029 0.000 2.349 338 N HA 0.047 4.787 4.740 -0.000 0.000 0.296 338 N C 0.463 175.946 175.510 -0.045 0.000 1.304 338 N CA 0.729 53.758 53.050 -0.034 0.000 1.051 338 N CB -0.883 37.579 38.487 -0.041 0.000 1.466 338 N HN 0.698 nan 8.380 nan 0.000 0.487 339 G N 2.344 111.127 108.800 -0.028 0.000 2.568 339 G HA2 0.055 4.015 3.960 -0.000 0.000 0.231 339 G HA3 0.055 4.015 3.960 -0.000 0.000 0.231 339 G C -0.348 174.539 174.900 -0.021 0.000 1.261 339 G CA 0.031 45.118 45.100 -0.021 0.000 0.855 339 G HN 0.637 nan 8.290 nan 0.000 0.576 340 K N 0.730 121.132 120.400 0.003 0.000 2.865 340 K HA 0.236 4.556 4.320 -0.000 0.000 0.259 340 K C -0.438 176.235 176.600 0.122 0.000 1.236 340 K CA -0.424 55.893 56.287 0.050 0.000 1.024 340 K CB 1.384 33.884 32.500 -0.000 0.000 1.344 340 K HN 0.379 nan 8.250 nan 0.000 0.558 341 V N 2.111 122.070 119.914 0.076 0.000 2.686 341 V HA 0.510 4.630 4.120 -0.000 0.000 0.295 341 V C 0.607 176.739 176.094 0.062 0.000 1.055 341 V CA -0.543 61.796 62.300 0.064 0.000 1.050 341 V CB 0.850 32.692 31.823 0.031 0.000 0.984 341 V HN 0.395 nan 8.190 nan 0.000 0.482 342 V N 0.671 120.608 119.914 0.039 0.000 3.165 342 V HA 0.820 4.940 4.120 -0.000 0.000 0.309 342 V C -0.087 175.999 176.094 -0.014 0.000 1.267 342 V CA -0.496 61.806 62.300 0.004 0.000 1.067 342 V CB 1.734 33.536 31.823 -0.034 0.000 1.082 342 V HN 0.932 nan 8.190 nan 0.000 0.451 343 S N -0.579 115.104 115.700 -0.029 0.000 2.603 343 S HA 0.250 4.720 4.470 -0.000 0.000 0.268 343 S C 1.057 175.635 174.600 -0.037 0.000 1.317 343 S CA 0.442 58.625 58.200 -0.029 0.000 1.012 343 S CB 0.850 64.032 63.200 -0.030 0.000 0.926 343 S HN 1.048 nan 8.310 nan 0.000 0.539 344 T N 1.853 116.388 114.554 -0.032 0.000 2.737 344 T HA -0.120 4.230 4.350 -0.000 0.000 0.269 344 T C 1.632 176.308 174.700 -0.040 0.000 1.040 344 T CA 1.798 63.878 62.100 -0.033 0.000 1.142 344 T CB -0.633 68.218 68.868 -0.027 0.000 0.861 344 T HN 0.620 nan 8.240 nan 0.000 0.456 345 I N 0.476 121.021 120.570 -0.041 0.000 2.315 345 I HA -0.082 4.088 4.170 -0.000 0.000 0.248 345 I C 2.882 178.961 176.117 -0.063 0.000 1.117 345 I CA 1.010 62.282 61.300 -0.046 0.000 1.404 345 I CB -0.331 37.645 38.000 -0.040 0.000 1.071 345 I HN 0.165 nan 8.210 nan 0.000 0.419 346 E N 0.993 121.148 120.200 -0.075 0.000 2.047 346 E HA -0.207 4.143 4.350 -0.000 0.000 0.191 346 E C 2.202 178.716 176.600 -0.144 0.000 0.987 346 E CA 1.155 57.487 56.400 -0.113 0.000 0.799 346 E CB -0.166 29.460 29.700 -0.122 0.000 0.752 346 E HN 0.268 nan 8.360 nan 0.000 0.449 347 L N 1.076 122.230 121.223 -0.115 0.000 2.079 347 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 347 L C 2.298 179.118 176.870 -0.083 0.000 1.081 347 L CA 1.862 56.641 54.840 -0.103 0.000 0.752 347 L CB -0.841 41.187 42.059 -0.051 0.000 0.896 347 L HN 0.094 nan 8.230 nan 0.000 0.433 348 T N -0.898 113.616 114.554 -0.067 0.000 2.684 348 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 348 T C 1.553 176.216 174.700 -0.062 0.000 1.036 348 T CA 1.505 63.572 62.100 -0.054 0.000 1.148 348 T CB -0.424 68.415 68.868 -0.048 0.000 0.863 348 T HN 0.416 nan 8.240 nan 0.000 0.436 349 D N 0.944 121.297 120.400 -0.078 0.000 2.149 349 D HA -0.128 4.512 4.640 -0.000 0.000 0.194 349 D C 2.359 178.610 176.300 -0.082 0.000 1.001 349 D CA 0.959 54.911 54.000 -0.080 0.000 0.849 349 D CB -0.105 40.638 40.800 -0.095 0.000 0.939 349 D HN 0.273 nan 8.370 nan 0.000 0.449 350 R N 0.351 120.783 120.500 -0.113 0.000 2.115 350 R HA 0.002 4.342 4.340 -0.000 0.000 0.226 350 R C 2.624 178.905 176.300 -0.031 0.000 1.100 350 R CA 0.193 56.237 56.100 -0.092 0.000 0.980 350 R CB -0.735 29.479 30.300 -0.143 0.000 0.875 350 R HN 0.325 nan 8.270 nan 0.000 0.445 351 L N 0.396 121.600 121.223 -0.031 0.000 2.005 351 L HA -0.085 4.255 4.340 -0.000 0.000 0.207 351 L C 2.460 179.324 176.870 -0.010 0.000 1.072 351 L CA 1.208 56.041 54.840 -0.011 0.000 0.744 351 L CB -0.535 41.514 42.059 -0.016 0.000 0.895 351 L HN 0.027 nan 8.230 nan 0.000 0.433 352 I N -0.488 120.069 120.570 -0.021 0.000 2.335 352 I HA -0.253 3.917 4.170 -0.000 0.000 0.251 352 I C 2.706 178.816 176.117 -0.012 0.000 1.129 352 I CA 1.039 62.329 61.300 -0.017 0.000 1.402 352 I CB -0.415 37.570 38.000 -0.025 0.000 1.069 352 I HN 0.377 nan 8.210 nan 0.000 0.424 353 E N 1.678 121.869 120.200 -0.015 0.000 2.046 353 E HA -0.188 4.162 4.350 -0.000 0.000 0.190 353 E C 2.100 178.702 176.600 0.004 0.000 0.982 353 E CA 1.202 57.597 56.400 -0.008 0.000 0.800 353 E CB 0.064 29.756 29.700 -0.013 0.000 0.756 353 E HN 0.303 nan 8.360 nan 0.000 0.449 354 K N 0.650 121.057 120.400 0.011 0.000 2.063 354 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 354 K C 2.459 179.069 176.600 0.016 0.000 1.048 354 K CA 0.808 57.108 56.287 0.021 0.000 0.928 354 K CB -0.604 31.914 32.500 0.030 0.000 0.713 354 K HN 0.234 nan 8.250 nan 0.000 0.442 355 L N 0.799 122.029 121.223 0.012 0.000 2.012 355 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 355 L C 0.796 177.671 176.870 0.008 0.000 1.073 355 L CA 1.105 55.951 54.840 0.011 0.000 0.748 355 L CB -0.609 41.454 42.059 0.007 0.000 0.891 355 L HN 0.220 nan 8.230 nan 0.000 0.431 356 N N 1.568 120.270 118.700 0.005 0.000 2.950 356 N HA 0.029 4.769 4.740 -0.000 0.000 0.313 356 N C -0.337 175.176 175.510 0.005 0.000 1.213 356 N CA -0.028 53.023 53.050 0.003 0.000 1.184 356 N CB -0.251 38.236 38.487 -0.001 0.000 1.454 356 N HN 0.359 nan 8.380 nan 0.000 0.532 357 N N 0.000 118.704 118.700 0.007 0.000 1.763 357 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 357 N CA 0.000 53.055 53.050 0.009 0.000 0.885 357 N CB 0.000 38.494 38.487 0.012 0.000 1.341 357 N HN 0.000 nan 8.380 nan 0.000 0.667