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 2wwb_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAIKFLEVIK PFCVILPEIQ KPERKIQFKE KVLWTAITLF IFLVCCQIPL DATA SEQUENCE FGIMSSDSAD PFYWMRVILA SNRGTLMELG ISPIVTSGLI MQLLAGAKII DATA SEQUENCE EVGDTPKDRA LFNGAQKLFG MIITIGQSIV YVMTGMYGDP SEMGAGICLL DATA SEQUENCE ITIQLFVAGL IVLLLDELLQ KGYGLGSGIS LFIATNICET IVWKAFSPTT DATA SEQUENCE VNTGRGMEFE GAIIALFHLL ATRTDKVRAL REAFYRQNLP NLMNLIATIF DATA SEQUENCE VFAVVIYFQG FRVDLPIKSA RYRGQYNTYP IKLFYTSNIP IILQSALVSN DATA SEQUENCE LYVISQMLSA RFSGNLLVSL LGTWSDTSSG GPARAYPVGG LCHYLSPPES DATA SEQUENCE FGSVLEDPVH AVVYIVFMLG SCAFFSKTWI EVSGSSAKDV AKQLKEQQMV DATA SEQUENCE MRGHRETSMV HELNRYIPTA AAFGGLCIGA LSVLADFLGA IGSGTGILLA DATA SEQUENCE VTIIYQYFEI FVKEQSEVGS MGALLF 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 0.000 176.324 176.300 0.040 0.000 1.140 1 M CA 0.000 55.319 55.300 0.031 0.000 0.988 1 M CB 0.000 32.591 32.600 -0.014 0.000 1.302 2 A N 3.529 126.383 122.820 0.057 0.000 2.654 2 A HA 0.578 4.898 4.320 -0.000 0.000 0.203 2 A C -0.858 176.770 177.584 0.074 0.000 1.306 2 A CA 0.074 52.149 52.037 0.064 0.000 1.041 2 A CB 0.594 19.647 19.000 0.089 0.000 1.217 2 A HN 0.791 nan 8.150 nan 0.000 0.510 3 I N -0.751 119.868 120.570 0.082 0.000 2.947 3 I HA 0.473 4.643 4.170 -0.000 0.000 0.301 3 I C -1.670 174.527 176.117 0.133 0.000 1.453 3 I CA -0.619 60.746 61.300 0.107 0.000 0.984 3 I CB 1.673 39.729 38.000 0.093 0.000 1.333 3 I HN -0.057 nan 8.210 nan 0.000 0.475 4 K N 4.152 124.663 120.400 0.185 0.000 2.132 4 K HA 0.538 4.858 4.320 -0.000 0.000 0.241 4 K C -0.612 176.273 176.600 0.474 0.000 1.000 4 K CA -0.405 56.024 56.287 0.236 0.000 0.911 4 K CB 1.010 33.684 32.500 0.290 0.000 1.093 4 K HN 0.585 nan 8.250 nan 0.000 0.460 5 F N -0.291 119.801 119.950 0.235 0.000 2.362 5 F HA 0.672 5.199 4.527 -0.000 0.000 0.311 5 F C -0.262 175.664 175.800 0.210 0.000 1.161 5 F CA -1.412 56.741 58.000 0.255 0.000 1.085 5 F CB 0.560 39.616 39.000 0.092 0.000 1.311 5 F HN 0.152 nan 8.300 nan 0.000 0.524 6 L N 0.934 122.424 121.223 0.444 0.000 2.466 6 L HA 0.302 4.642 4.340 -0.000 0.000 0.258 6 L C -0.646 176.284 176.870 0.101 0.000 0.973 6 L CA -0.724 54.230 54.840 0.189 0.000 0.826 6 L CB 2.107 44.309 42.059 0.238 0.000 1.372 6 L HN 0.824 nan 8.230 nan 0.000 0.409 7 E N 1.823 121.973 120.200 -0.084 0.000 2.415 7 E HA 0.245 4.595 4.350 -0.000 0.000 0.263 7 E C -0.685 176.042 176.600 0.212 0.000 0.995 7 E CA 0.364 56.688 56.400 -0.126 0.000 0.915 7 E CB 0.796 30.277 29.700 -0.365 0.000 0.951 7 E HN 0.516 nan 8.360 nan 0.000 0.449 8 V N 6.889 126.924 119.914 0.201 0.000 3.503 8 V HA 0.202 4.322 4.120 -0.000 0.000 0.426 8 V C -0.057 176.148 176.094 0.186 0.000 1.555 8 V CA -0.381 62.112 62.300 0.322 0.000 1.586 8 V CB 0.135 32.094 31.823 0.227 0.000 1.152 8 V HN 0.703 nan 8.190 nan 0.000 0.571 9 I N 1.163 121.813 120.570 0.134 0.000 2.892 9 I HA 0.135 4.305 4.170 -0.000 0.000 0.287 9 I C 1.585 177.779 176.117 0.128 0.000 1.205 9 I CA 0.057 61.401 61.300 0.072 0.000 1.409 9 I CB 0.863 38.859 38.000 -0.006 0.000 1.367 9 I HN 0.219 nan 8.210 nan 0.000 0.597 10 K N 5.634 126.077 120.400 0.072 0.000 2.057 10 K HA -0.076 4.244 4.320 -0.000 0.000 0.207 10 K C -0.703 175.940 176.600 0.072 0.000 1.049 10 K CA 1.433 57.756 56.287 0.061 0.000 0.931 10 K CB -1.803 30.716 32.500 0.032 0.000 0.714 10 K HN 0.532 nan 8.250 nan 0.000 0.440 11 P HA -0.085 nan 4.420 nan 0.000 0.218 11 P C 1.431 178.810 177.300 0.132 0.000 1.149 11 P CA 0.772 63.923 63.100 0.084 0.000 0.817 11 P CB -0.107 31.638 31.700 0.075 0.000 0.785 12 F N -0.179 119.776 119.950 0.007 0.000 2.186 12 F HA -0.212 4.315 4.527 -0.000 0.000 0.299 12 F C 1.909 177.731 175.800 0.037 0.000 1.090 12 F CA 0.925 58.937 58.000 0.019 0.000 1.307 12 F CB -0.359 38.654 39.000 0.022 0.000 1.019 12 F HN -0.095 nan 8.300 nan 0.000 0.489 13 C N -0.471 118.840 119.300 0.019 0.000 2.425 13 C HA -0.136 4.324 4.460 -0.000 0.000 0.277 13 C C 2.716 177.651 174.990 -0.092 0.000 1.280 13 C CA 0.940 59.921 59.018 -0.061 0.000 1.744 13 C CB -1.091 26.653 27.740 0.006 0.000 1.989 13 C HN 0.386 nan 8.230 nan 0.000 0.491 14 V N 1.379 121.264 119.914 -0.049 0.000 2.515 14 V HA -0.188 3.932 4.120 -0.000 0.000 0.250 14 V C 2.133 178.189 176.094 -0.063 0.000 1.058 14 V CA 1.812 64.087 62.300 -0.041 0.000 1.064 14 V CB -0.566 31.250 31.823 -0.012 0.000 0.675 14 V HN 0.549 nan 8.190 nan 0.000 0.461 15 I N -0.542 119.970 120.570 -0.096 0.000 2.179 15 I HA -0.133 4.037 4.170 -0.000 0.000 0.242 15 I C 0.959 176.994 176.117 -0.137 0.000 1.088 15 I CA 1.163 62.398 61.300 -0.108 0.000 1.357 15 I CB -0.224 37.703 38.000 -0.123 0.000 1.051 15 I HN 0.182 nan 8.210 nan 0.000 0.409 16 L N 1.483 122.582 121.223 -0.208 0.000 2.357 16 L HA 0.331 4.671 4.340 -0.000 0.000 0.273 16 L C -2.236 174.574 176.870 -0.099 0.000 1.080 16 L CA -1.966 52.771 54.840 -0.172 0.000 0.803 16 L CB 0.272 42.193 42.059 -0.230 0.000 1.174 16 L HN -0.188 nan 8.230 nan 0.000 0.443 17 P HA 0.123 nan 4.420 nan 0.000 0.274 17 P C -0.304 176.977 177.300 -0.031 0.000 1.231 17 P CA -0.121 62.957 63.100 -0.037 0.000 0.790 17 P CB 0.885 32.574 31.700 -0.018 0.000 0.951 18 E N 0.854 121.038 120.200 -0.026 0.000 2.713 18 E HA 0.155 4.505 4.350 -0.000 0.000 0.199 18 E C -0.816 175.775 176.600 -0.014 0.000 0.940 18 E CA -0.120 56.270 56.400 -0.018 0.000 1.310 18 E CB 0.520 30.204 29.700 -0.027 0.000 1.129 18 E HN 0.198 nan 8.360 nan 0.000 0.557 19 I N 1.850 122.409 120.570 -0.018 0.000 8.102 19 I HA -0.243 3.927 4.170 -0.000 0.000 0.126 19 I C -0.314 175.785 176.117 -0.029 0.000 1.850 19 I CA 0.914 62.200 61.300 -0.023 0.000 2.038 19 I CB -1.257 36.731 38.000 -0.019 0.000 3.769 19 I HN 0.395 nan 8.210 nan 0.000 0.169 20 Q N 7.009 126.789 119.800 -0.034 0.000 2.368 20 Q HA 0.408 4.748 4.340 -0.000 0.000 0.256 20 Q C 0.353 176.323 176.000 -0.050 0.000 0.980 20 Q CA -0.885 54.895 55.803 -0.039 0.000 0.887 20 Q CB 1.093 29.811 28.738 -0.034 0.000 1.221 20 Q HN 0.546 nan 8.270 nan 0.000 0.458 21 K N 4.343 124.705 120.400 -0.063 0.000 2.355 21 K HA 0.347 4.667 4.320 -0.000 0.000 0.270 21 K C -2.125 174.421 176.600 -0.091 0.000 1.003 21 K CA -1.066 55.166 56.287 -0.091 0.000 0.957 21 K CB 0.182 32.610 32.500 -0.120 0.000 0.939 21 K HN 0.380 nan 8.250 nan 0.000 0.482 22 P HA 0.087 nan 4.420 nan 0.000 0.317 22 P C -0.897 176.333 177.300 -0.116 0.000 1.307 22 P CA -0.477 62.568 63.100 -0.092 0.000 0.749 22 P CB 0.324 31.973 31.700 -0.084 0.000 1.377 23 E N 0.128 120.271 120.200 -0.096 0.000 2.414 23 E HA 0.088 4.438 4.350 -0.000 0.000 0.263 23 E C -0.014 176.497 176.600 -0.149 0.000 1.000 23 E CA 0.212 56.550 56.400 -0.104 0.000 0.914 23 E CB 0.194 29.857 29.700 -0.063 0.000 0.948 23 E HN 0.386 nan 8.360 nan 0.000 0.444 24 R N 1.704 122.080 120.500 -0.207 0.000 2.817 24 R HA 0.676 5.016 4.340 -0.000 0.000 0.268 24 R C -1.112 175.072 176.300 -0.194 0.000 1.027 24 R CA -1.308 54.610 56.100 -0.304 0.000 0.928 24 R CB 0.982 30.797 30.300 -0.808 0.000 1.228 24 R HN 0.140 nan 8.270 nan 0.000 0.469 25 K N 1.032 121.373 120.400 -0.098 0.000 2.345 25 K HA 0.411 4.731 4.320 -0.000 0.000 0.255 25 K C -0.763 175.871 176.600 0.058 0.000 0.934 25 K CA -0.636 55.647 56.287 -0.006 0.000 0.801 25 K CB 1.701 34.235 32.500 0.056 0.000 1.137 25 K HN 0.431 nan 8.250 nan 0.000 0.424 26 I N 4.333 124.908 120.570 0.009 0.000 2.278 26 I HA 0.215 4.385 4.170 -0.000 0.000 0.296 26 I C -0.427 175.651 176.117 -0.064 0.000 1.121 26 I CA -0.121 61.191 61.300 0.021 0.000 1.267 26 I CB -0.303 37.676 38.000 -0.036 0.000 1.447 26 I HN 0.451 nan 8.210 nan 0.000 0.509 27 Q N 4.339 124.115 119.800 -0.041 0.000 2.377 27 Q HA 0.349 4.689 4.340 -0.000 0.000 0.279 27 Q C 0.346 176.257 176.000 -0.148 0.000 1.049 27 Q CA -0.645 55.070 55.803 -0.147 0.000 0.825 27 Q CB 2.010 30.766 28.738 0.030 0.000 1.401 27 Q HN 0.375 nan 8.270 nan 0.000 0.404 28 F N 0.812 120.787 119.950 0.042 0.000 2.171 28 F HA -0.156 4.371 4.527 -0.000 0.000 0.300 28 F C 2.321 178.099 175.800 -0.037 0.000 1.090 28 F CA 1.418 59.414 58.000 -0.005 0.000 1.293 28 F CB 0.004 38.987 39.000 -0.029 0.000 1.013 28 F HN 0.488 nan 8.300 nan 0.000 0.486 29 K N 0.516 121.016 120.400 0.168 0.000 2.097 29 K HA -0.189 4.131 4.320 -0.000 0.000 0.206 29 K C 1.965 178.526 176.600 -0.065 0.000 1.049 29 K CA 1.544 57.864 56.287 0.056 0.000 0.933 29 K CB -0.003 32.540 32.500 0.072 0.000 0.717 29 K HN 0.092 nan 8.250 nan 0.000 0.442 30 E N 1.007 121.189 120.200 -0.030 0.000 2.072 30 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 30 E C 1.878 178.196 176.600 -0.470 0.000 0.985 30 E CA 1.266 57.599 56.400 -0.112 0.000 0.801 30 E CB -0.086 29.789 29.700 0.291 0.000 0.750 30 E HN 0.384 nan 8.360 nan 0.000 0.452 31 K N 0.809 121.062 120.400 -0.245 0.000 2.057 31 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 31 K C 2.319 178.778 176.600 -0.234 0.000 1.049 31 K CA 1.638 57.803 56.287 -0.203 0.000 0.931 31 K CB -0.342 32.139 32.500 -0.031 0.000 0.714 31 K HN 0.116 nan 8.250 nan 0.000 0.440 32 V N -0.459 119.332 119.914 -0.204 0.000 2.626 32 V HA -0.168 3.952 4.120 -0.000 0.000 0.252 32 V C 1.998 177.926 176.094 -0.278 0.000 1.067 32 V CA 1.311 63.547 62.300 -0.106 0.000 1.081 32 V CB -0.860 30.940 31.823 -0.039 0.000 0.686 32 V HN 0.166 nan 8.190 nan 0.000 0.468 33 L N -1.111 119.736 121.223 -0.626 0.000 2.046 33 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 33 L C 2.651 179.158 176.870 -0.606 0.000 1.077 33 L CA 2.296 56.686 54.840 -0.751 0.000 0.747 33 L CB -0.664 40.684 42.059 -1.184 0.000 0.896 33 L HN 0.395 nan 8.230 nan 0.000 0.432 34 W N -0.469 120.789 121.300 -0.070 0.000 2.388 34 W HA -0.111 4.549 4.660 -0.000 0.000 0.294 34 W C 2.594 179.104 176.519 -0.015 0.000 1.212 34 W CA 0.642 57.956 57.345 -0.052 0.000 1.271 34 W CB -0.995 28.404 29.460 -0.101 0.000 1.126 34 W HN -0.053 nan 8.180 nan 0.000 0.535 35 T N 0.733 115.352 114.554 0.108 0.000 2.746 35 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 35 T C 2.060 176.777 174.700 0.028 0.000 1.039 35 T CA 1.780 63.946 62.100 0.110 0.000 1.142 35 T CB -0.632 68.334 68.868 0.164 0.000 0.866 35 T HN 0.235 nan 8.240 nan 0.000 0.444 36 A N 1.618 124.422 122.820 -0.026 0.000 1.933 36 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 36 A C 2.167 179.731 177.584 -0.033 0.000 1.175 36 A CA 1.061 53.062 52.037 -0.061 0.000 0.628 36 A CB -0.550 18.380 19.000 -0.117 0.000 0.814 36 A HN 0.418 nan 8.150 nan 0.000 0.444 37 I N 0.374 120.954 120.570 0.017 0.000 2.252 37 I HA -0.155 4.015 4.170 -0.000 0.000 0.245 37 I C 2.422 178.541 176.117 0.004 0.000 1.102 37 I CA 1.957 63.304 61.300 0.079 0.000 1.385 37 I CB -2.243 35.841 38.000 0.141 0.000 1.064 37 I HN 0.249 nan 8.210 nan 0.000 0.414 38 T N 1.961 116.484 114.554 -0.052 0.000 2.746 38 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 38 T C 2.022 176.267 174.700 -0.758 0.000 1.039 38 T CA 1.122 63.113 62.100 -0.181 0.000 1.142 38 T CB -0.540 68.334 68.868 0.009 0.000 0.866 38 T HN 0.195 nan 8.240 nan 0.000 0.444 39 L N 0.678 121.522 121.223 -0.633 0.000 2.083 39 L HA 0.115 4.455 4.340 -0.000 0.000 0.209 39 L C 2.018 178.536 176.870 -0.585 0.000 1.083 39 L CA 1.472 55.832 54.840 -0.800 0.000 0.752 39 L CB -0.837 41.098 42.059 -0.207 0.000 0.899 39 L HN 0.333 nan 8.230 nan 0.000 0.433 40 F N -0.697 119.008 119.950 -0.409 0.000 2.171 40 F HA -0.238 4.289 4.527 -0.000 0.000 0.300 40 F C 2.130 177.816 175.800 -0.189 0.000 1.090 40 F CA 0.839 58.707 58.000 -0.220 0.000 1.293 40 F CB 0.133 39.053 39.000 -0.134 0.000 1.013 40 F HN 0.057 nan 8.300 nan 0.000 0.486 41 I N 0.433 120.771 120.570 -0.387 0.000 2.361 41 I HA -0.307 3.863 4.170 -0.000 0.000 0.251 41 I C 2.264 178.320 176.117 -0.101 0.000 1.133 41 I CA 1.425 62.539 61.300 -0.310 0.000 1.413 41 I CB -1.868 36.038 38.000 -0.155 0.000 1.073 41 I HN 0.236 nan 8.210 nan 0.000 0.424 42 F N 0.356 120.264 119.950 -0.069 0.000 2.134 42 F HA -0.252 4.275 4.527 -0.000 0.000 0.299 42 F C 2.517 178.303 175.800 -0.024 0.000 1.097 42 F CA 0.344 58.326 58.000 -0.029 0.000 1.264 42 F CB -0.451 38.578 39.000 0.048 0.000 1.001 42 F HN 0.086 nan 8.300 nan 0.000 0.479 43 L N 0.368 121.671 121.223 0.134 0.000 2.056 43 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 43 L C 2.165 179.035 176.870 0.001 0.000 1.078 43 L CA 1.285 56.178 54.840 0.090 0.000 0.749 43 L CB -0.624 41.504 42.059 0.114 0.000 0.901 43 L HN -0.098 nan 8.230 nan 0.000 0.433 44 V N -1.192 118.626 119.914 -0.159 0.000 2.490 44 V HA -0.337 3.783 4.120 -0.000 0.000 0.250 44 V C 2.592 178.631 176.094 -0.092 0.000 1.061 44 V CA 1.669 63.846 62.300 -0.206 0.000 1.064 44 V CB -0.922 30.665 31.823 -0.394 0.000 0.670 44 V HN 0.634 nan 8.190 nan 0.000 0.461 45 C N -0.620 118.654 119.300 -0.044 0.000 2.425 45 C HA -0.188 4.272 4.460 -0.000 0.000 0.277 45 C C 2.885 177.878 174.990 0.005 0.000 1.280 45 C CA 0.878 59.883 59.018 -0.020 0.000 1.744 45 C CB -1.518 26.220 27.740 -0.003 0.000 1.989 45 C HN 0.690 nan 8.230 nan 0.000 0.491 46 C N 0.341 119.670 119.300 0.047 0.000 2.435 46 C HA -0.106 4.354 4.460 -0.000 0.000 0.279 46 C C 2.708 177.715 174.990 0.027 0.000 1.321 46 C CA 0.709 59.768 59.018 0.068 0.000 1.752 46 C CB -1.547 26.291 27.740 0.164 0.000 1.959 46 C HN 0.656 nan 8.230 nan 0.000 0.500 47 Q N -0.023 119.786 119.800 0.015 0.000 2.096 47 Q HA 0.079 4.419 4.340 -0.000 0.000 0.197 47 Q C 0.633 176.627 176.000 -0.011 0.000 0.964 47 Q CA 0.688 56.494 55.803 0.005 0.000 0.838 47 Q CB 0.002 28.741 28.738 0.001 0.000 0.906 47 Q HN 0.532 nan 8.270 nan 0.000 0.444 48 I N 2.024 122.579 120.570 -0.024 0.000 2.440 48 I HA 0.179 4.349 4.170 -0.000 0.000 0.294 48 I C -2.268 173.835 176.117 -0.023 0.000 0.995 48 I CA -2.772 58.512 61.300 -0.027 0.000 1.306 48 I CB 1.167 39.141 38.000 -0.044 0.000 1.407 48 I HN -0.045 nan 8.210 nan 0.000 0.501 49 P HA 0.387 nan 4.420 nan 0.000 0.302 49 P C -1.518 175.780 177.300 -0.004 0.000 1.307 49 P CA -0.475 62.619 63.100 -0.009 0.000 0.754 49 P CB 0.839 32.540 31.700 0.003 0.000 1.298 50 L N -3.571 117.656 121.223 0.007 0.000 2.424 50 L HA 0.631 4.971 4.340 -0.000 0.000 0.258 50 L C -0.841 176.068 176.870 0.065 0.000 0.995 50 L CA -1.262 53.595 54.840 0.028 0.000 0.821 50 L CB 1.765 43.820 42.059 -0.008 0.000 1.383 50 L HN 0.128 nan 8.230 nan 0.000 0.410 51 F N 1.606 121.547 119.950 -0.016 0.000 2.427 51 F HA 0.800 5.327 4.527 -0.000 0.000 0.352 51 F C 0.447 176.276 175.800 0.048 0.000 1.100 51 F CA 1.158 59.162 58.000 0.008 0.000 1.191 51 F CB 1.105 40.104 39.000 -0.002 0.000 1.128 51 F HN 0.894 nan 8.300 nan 0.000 0.533 52 G N 5.252 113.554 108.800 -0.831 0.000 2.322 52 G HA2 0.147 4.107 3.960 -0.000 0.000 0.295 52 G HA3 0.147 4.107 3.960 -0.000 0.000 0.295 52 G C -1.095 173.526 174.900 -0.464 0.000 1.369 52 G CA -0.444 44.311 45.100 -0.575 0.000 0.821 52 G HN 0.848 nan 8.290 nan 0.000 0.536 53 I N 0.202 120.605 120.570 -0.279 0.000 3.875 53 I HA 0.363 4.533 4.170 -0.000 0.000 0.329 53 I C 1.467 177.475 176.117 -0.181 0.000 1.295 53 I CA 0.610 61.773 61.300 -0.227 0.000 1.129 53 I CB -0.144 37.737 38.000 -0.197 0.000 1.008 53 I HN 0.571 nan 8.210 nan 0.000 0.413 54 M N -3.166 116.341 119.600 -0.154 0.000 2.477 54 M HA 0.320 4.800 4.480 -0.000 0.000 0.457 54 M C -0.442 175.826 176.300 -0.055 0.000 1.097 54 M CA -0.237 54.997 55.300 -0.110 0.000 1.005 54 M CB 0.145 32.659 32.600 -0.144 0.000 2.114 54 M HN -0.204 nan 8.290 nan 0.000 0.710 55 S N 2.254 117.933 115.700 -0.035 0.000 2.499 55 S HA 0.566 5.036 4.470 -0.000 0.000 0.275 55 S C 0.727 175.313 174.600 -0.022 0.000 1.257 55 S CA 0.300 58.506 58.200 0.010 0.000 1.050 55 S CB 0.930 64.154 63.200 0.039 0.000 0.937 55 S HN 0.607 nan 8.310 nan 0.000 0.490 56 S N 0.856 116.545 115.700 -0.019 0.000 3.172 56 S HA 0.115 4.585 4.470 -0.000 0.000 0.150 56 S C -0.186 174.396 174.600 -0.029 0.000 0.815 56 S CA 0.164 58.346 58.200 -0.031 0.000 1.474 56 S CB -0.693 62.484 63.200 -0.038 0.000 1.136 56 S HN 0.658 nan 8.310 nan 0.000 0.638 57 D N 0.553 120.941 120.400 -0.020 0.000 3.132 57 D HA -0.125 4.515 4.640 -0.000 0.000 0.211 57 D C 0.146 176.443 176.300 -0.005 0.000 1.071 57 D CA 1.126 55.117 54.000 -0.015 0.000 0.948 57 D CB -1.600 39.194 40.800 -0.009 0.000 1.079 57 D HN 0.424 nan 8.370 nan 0.000 0.437 58 S N -0.613 115.085 115.700 -0.003 0.000 2.574 58 S HA 0.524 4.994 4.470 -0.000 0.000 0.242 58 S C 1.263 175.861 174.600 -0.004 0.000 0.982 58 S CA 0.210 58.408 58.200 -0.003 0.000 0.977 58 S CB 1.090 64.284 63.200 -0.009 0.000 0.814 58 S HN 0.494 nan 8.310 nan 0.000 0.464 59 A N 1.647 124.479 122.820 0.019 0.000 2.415 59 A HA 0.255 4.575 4.320 -0.000 0.000 0.248 59 A C -0.003 177.586 177.584 0.008 0.000 1.299 59 A CA -0.302 51.773 52.037 0.064 0.000 0.899 59 A CB -0.164 18.976 19.000 0.234 0.000 0.997 59 A HN 0.335 nan 8.150 nan 0.000 0.506 60 D N -0.418 119.935 120.400 -0.079 0.000 2.956 60 D HA -0.124 4.516 4.640 -0.000 0.000 0.240 60 D C -2.042 173.907 176.300 -0.585 0.000 1.141 60 D CA 0.996 54.870 54.000 -0.210 0.000 0.820 60 D CB -0.689 40.080 40.800 -0.052 0.000 0.988 60 D HN 0.450 nan 8.370 nan 0.000 0.417 61 P HA 0.083 nan 4.420 nan 0.000 0.262 61 P C -0.004 176.831 177.300 -0.775 0.000 1.304 61 P CA -0.046 62.671 63.100 -0.638 0.000 0.859 61 P CB 0.095 31.709 31.700 -0.143 0.000 1.310 62 F N -3.617 116.218 119.950 -0.193 0.000 2.149 62 F HA -0.206 4.321 4.527 -0.000 0.000 0.497 62 F C 1.009 176.677 175.800 -0.219 0.000 1.282 62 F CA -0.758 57.045 58.000 -0.329 0.000 1.585 62 F CB -2.020 36.804 39.000 -0.294 0.000 2.847 62 F HN -0.180 nan 8.300 nan 0.000 0.683 63 Y N -0.145 120.285 120.300 0.216 0.000 2.200 63 Y HA -0.170 4.380 4.550 -0.000 0.000 0.290 63 Y C 2.166 178.201 175.900 0.224 0.000 1.137 63 Y CA 1.845 60.060 58.100 0.191 0.000 1.163 63 Y CB -0.639 37.952 38.460 0.219 0.000 0.988 63 Y HN 0.750 nan 8.280 nan 0.000 0.518 64 W N 0.181 121.611 121.300 0.217 0.000 2.409 64 W HA -0.189 4.471 4.660 -0.000 0.000 0.299 64 W C 2.667 179.286 176.519 0.167 0.000 1.203 64 W CA 1.799 59.260 57.345 0.193 0.000 1.298 64 W CB -0.257 29.294 29.460 0.152 0.000 1.127 64 W HN 0.048 nan 8.180 nan 0.000 0.528 65 M N 1.202 121.048 119.600 0.410 0.000 2.117 65 M HA -0.228 4.252 4.480 -0.000 0.000 0.262 65 M C 2.360 178.751 176.300 0.151 0.000 1.065 65 M CA 2.376 57.897 55.300 0.368 0.000 1.114 65 M CB -0.480 32.316 32.600 0.327 0.000 1.361 65 M HN 0.099 nan 8.290 nan 0.000 0.408 66 R N -0.493 120.062 120.500 0.091 0.000 2.081 66 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 66 R C 1.636 177.948 176.300 0.020 0.000 1.131 66 R CA 1.858 57.987 56.100 0.047 0.000 0.960 66 R CB -1.387 28.938 30.300 0.042 0.000 0.856 66 R HN 0.332 nan 8.270 nan 0.000 0.436 67 V N 1.768 121.668 119.914 -0.024 0.000 2.343 67 V HA -0.174 3.946 4.120 -0.000 0.000 0.247 67 V C 1.985 178.021 176.094 -0.097 0.000 1.051 67 V CA 1.696 63.956 62.300 -0.065 0.000 1.036 67 V CB -0.362 31.388 31.823 -0.121 0.000 0.654 67 V HN 0.305 nan 8.190 nan 0.000 0.451 68 I N -1.251 119.226 120.570 -0.155 0.000 3.928 68 I HA 0.139 4.309 4.170 -0.000 0.000 0.335 68 I C 1.649 177.738 176.117 -0.047 0.000 1.325 68 I CA 0.615 61.823 61.300 -0.152 0.000 1.107 68 I CB -0.297 37.545 38.000 -0.264 0.000 1.014 68 I HN 0.109 nan 8.210 nan 0.000 0.400 69 L N 1.409 122.642 121.223 0.017 0.000 2.068 69 L HA 0.308 4.648 4.340 -0.000 0.000 0.204 69 L C 1.132 178.081 176.870 0.132 0.000 1.076 69 L CA 0.613 55.497 54.840 0.075 0.000 0.753 69 L CB -0.357 41.747 42.059 0.076 0.000 0.910 69 L HN 0.356 nan 8.230 nan 0.000 0.439 70 A N -0.396 122.478 122.820 0.090 0.000 2.431 70 A HA -0.129 4.191 4.320 -0.000 0.000 0.685 70 A C 0.589 178.237 177.584 0.107 0.000 0.140 70 A CA 0.472 52.583 52.037 0.123 0.000 0.038 70 A CB -1.234 17.855 19.000 0.148 0.000 3.966 70 A HN 0.283 nan 8.150 nan 0.000 0.547 71 S N 1.234 116.948 115.700 0.025 0.000 2.874 71 S HA 0.246 4.716 4.470 -0.000 0.000 0.257 71 S C 0.267 174.864 174.600 -0.005 0.000 0.975 71 S CA 0.236 58.396 58.200 -0.067 0.000 1.326 71 S CB -0.047 63.105 63.200 -0.080 0.000 1.215 71 S HN 1.446 nan 8.310 nan 0.000 0.679 72 N N 2.673 121.408 118.700 0.058 0.000 2.771 72 N HA -0.142 4.598 4.740 -0.000 0.000 0.249 72 N C -0.344 175.281 175.510 0.191 0.000 1.069 72 N CA 0.640 53.768 53.050 0.129 0.000 0.688 72 N CB -0.609 37.962 38.487 0.140 0.000 0.928 72 N HN 0.634 nan 8.380 nan 0.000 0.551 73 R N -0.880 119.726 120.500 0.177 0.000 2.828 73 R HA 0.703 5.043 4.340 -0.000 0.000 0.264 73 R C 0.828 177.251 176.300 0.205 0.000 1.022 73 R CA 0.053 56.233 56.100 0.133 0.000 1.021 73 R CB 1.609 31.943 30.300 0.057 0.000 1.163 73 R HN 0.068 nan 8.270 nan 0.000 0.494 74 G N -0.186 108.666 108.800 0.086 0.000 2.159 74 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.170 74 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.170 74 G C 0.080 174.862 174.900 -0.195 0.000 1.007 74 G CA 0.194 45.314 45.100 0.033 0.000 0.672 74 G HN 0.642 nan 8.290 nan 0.000 0.507 75 T N -0.945 113.499 114.554 -0.184 0.000 3.550 75 T HA 0.500 4.850 4.350 -0.000 0.000 0.261 75 T C 0.241 174.869 174.700 -0.121 0.000 0.990 75 T CA 0.741 62.692 62.100 -0.249 0.000 1.142 75 T CB 0.687 69.341 68.868 -0.355 0.000 1.173 75 T HN 0.301 nan 8.240 nan 0.000 0.405 76 L N 1.138 122.320 121.223 -0.069 0.000 2.465 76 L HA 0.702 5.042 4.340 -0.000 0.000 0.257 76 L C -1.687 175.168 176.870 -0.024 0.000 0.988 76 L CA -1.125 53.689 54.840 -0.043 0.000 0.827 76 L CB 2.256 44.293 42.059 -0.037 0.000 1.397 76 L HN 0.376 nan 8.230 nan 0.000 0.410 77 M N 1.794 121.374 119.600 -0.033 0.000 4.047 77 M HA -0.148 4.332 4.480 -0.000 0.000 0.157 77 M C -0.165 176.103 176.300 -0.054 0.000 1.532 77 M CA 0.851 56.124 55.300 -0.044 0.000 1.097 77 M CB -0.215 32.360 32.600 -0.042 0.000 1.346 77 M HN 0.873 nan 8.290 nan 0.000 0.190 78 E N 3.923 124.070 120.200 -0.088 0.000 3.145 78 E HA 0.389 4.739 4.350 -0.000 0.000 0.412 78 E C -0.402 176.105 176.600 -0.154 0.000 0.371 78 E CA -0.169 56.156 56.400 -0.125 0.000 2.392 78 E CB 0.303 29.895 29.700 -0.180 0.000 2.126 78 E HN 0.738 nan 8.360 nan 0.000 0.483 79 L N 0.009 121.082 121.223 -0.250 0.000 2.461 79 L HA 0.228 4.568 4.340 -0.000 0.000 0.272 79 L C 0.875 177.651 176.870 -0.156 0.000 1.197 79 L CA 0.572 55.285 54.840 -0.212 0.000 0.836 79 L CB 0.973 42.864 42.059 -0.280 0.000 1.105 79 L HN 0.709 nan 8.230 nan 0.000 0.477 80 G N 1.627 110.346 108.800 -0.134 0.000 3.311 80 G HA2 0.133 4.093 3.960 -0.000 0.000 0.130 80 G HA3 0.133 4.093 3.960 -0.000 0.000 0.130 80 G C 0.534 175.331 174.900 -0.172 0.000 1.323 80 G CA -0.232 44.788 45.100 -0.135 0.000 1.262 80 G HN 0.465 nan 8.290 nan 0.000 0.678 81 I N 2.457 122.852 120.570 -0.292 0.000 3.883 81 I HA 0.137 4.307 4.170 -0.000 0.000 0.326 81 I C 2.248 178.095 176.117 -0.450 0.000 1.283 81 I CA 0.283 61.249 61.300 -0.557 0.000 1.161 81 I CB 0.678 38.013 38.000 -1.108 0.000 1.012 81 I HN 0.096 nan 8.210 nan 0.000 0.421 82 S N 2.135 117.733 115.700 -0.169 0.000 2.387 82 S HA -0.103 4.367 4.470 -0.000 0.000 0.230 82 S C -0.398 174.221 174.600 0.031 0.000 1.035 82 S CA 1.550 59.743 58.200 -0.012 0.000 1.014 82 S CB -1.140 62.053 63.200 -0.012 0.000 0.836 82 S HN 0.362 nan 8.310 nan 0.000 0.466 83 P HA 0.044 nan 4.420 nan 0.000 0.221 83 P C 1.183 178.526 177.300 0.072 0.000 1.150 83 P CA 0.776 63.901 63.100 0.041 0.000 0.800 83 P CB -0.149 31.569 31.700 0.030 0.000 0.787 84 I N -1.328 119.296 120.570 0.091 0.000 2.315 84 I HA -0.162 4.008 4.170 -0.000 0.000 0.248 84 I C 2.295 178.501 176.117 0.147 0.000 1.117 84 I CA 1.116 62.498 61.300 0.136 0.000 1.404 84 I CB -0.717 37.398 38.000 0.192 0.000 1.071 84 I HN -0.150 nan 8.210 nan 0.000 0.419 85 V N 0.586 120.605 119.914 0.175 0.000 2.667 85 V HA -0.199 3.921 4.120 -0.000 0.000 0.252 85 V C 2.358 178.478 176.094 0.043 0.000 1.065 85 V CA 2.328 64.680 62.300 0.087 0.000 1.083 85 V CB -0.364 31.498 31.823 0.064 0.000 0.692 85 V HN 0.466 nan 8.190 nan 0.000 0.468 86 T N -0.224 114.367 114.554 0.063 0.000 2.821 86 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 86 T C 2.021 176.753 174.700 0.053 0.000 1.046 86 T CA 1.702 63.832 62.100 0.051 0.000 1.139 86 T CB -0.230 68.674 68.868 0.061 0.000 0.871 86 T HN 0.568 nan 8.240 nan 0.000 0.454 87 S N 1.172 116.914 115.700 0.071 0.000 2.382 87 S HA -0.015 4.455 4.470 -0.000 0.000 0.228 87 S C 2.394 177.034 174.600 0.067 0.000 1.027 87 S CA 1.033 59.285 58.200 0.087 0.000 0.991 87 S CB -0.661 62.600 63.200 0.102 0.000 0.823 87 S HN 0.641 nan 8.310 nan 0.000 0.469 88 G N 1.035 109.860 108.800 0.042 0.000 2.572 88 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.216 88 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.216 88 G C 1.283 176.167 174.900 -0.026 0.000 1.133 88 G CA 0.210 45.319 45.100 0.015 0.000 0.791 88 G HN 0.416 nan 8.290 nan 0.000 0.538 89 L N 0.868 122.067 121.223 -0.040 0.000 2.156 89 L HA 0.127 4.467 4.340 -0.000 0.000 0.208 89 L C 2.337 179.185 176.870 -0.036 0.000 1.095 89 L CA 1.071 55.860 54.840 -0.085 0.000 0.770 89 L CB -0.191 41.826 42.059 -0.070 0.000 0.914 89 L HN 0.064 nan 8.230 nan 0.000 0.439 90 I N -0.879 119.698 120.570 0.011 0.000 2.315 90 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 90 I C 2.509 178.617 176.117 -0.015 0.000 1.117 90 I CA 1.448 62.763 61.300 0.024 0.000 1.404 90 I CB -1.207 36.843 38.000 0.084 0.000 1.071 90 I HN 0.405 nan 8.210 nan 0.000 0.419 91 M N 0.431 120.034 119.600 0.004 0.000 2.149 91 M HA -0.294 4.186 4.480 -0.000 0.000 0.261 91 M C 2.353 178.650 176.300 -0.006 0.000 1.064 91 M CA 1.859 57.163 55.300 0.007 0.000 1.102 91 M CB -0.054 32.572 32.600 0.043 0.000 1.369 91 M HN 0.165 nan 8.290 nan 0.000 0.408 92 Q N 0.272 120.078 119.800 0.009 0.000 2.046 92 Q HA -0.194 4.146 4.340 -0.000 0.000 0.200 92 Q C 1.808 177.814 176.000 0.010 0.000 0.975 92 Q CA 1.781 57.608 55.803 0.039 0.000 0.836 92 Q CB -0.477 28.270 28.738 0.015 0.000 0.896 92 Q HN 0.554 nan 8.270 nan 0.000 0.428 93 L N -0.242 120.977 121.223 -0.006 0.000 2.017 93 L HA -0.108 4.231 4.340 -0.000 0.000 0.208 93 L C 1.941 178.743 176.870 -0.114 0.000 1.073 93 L CA 1.782 56.631 54.840 0.015 0.000 0.745 93 L CB -0.653 41.426 42.059 0.033 0.000 0.894 93 L HN 0.390 nan 8.230 nan 0.000 0.432 94 L N -0.663 120.352 121.223 -0.347 0.000 2.027 94 L HA -0.125 4.215 4.340 -0.000 0.000 0.206 94 L C 2.691 179.238 176.870 -0.539 0.000 1.074 94 L CA 1.155 55.421 54.840 -0.956 0.000 0.745 94 L CB -1.003 40.151 42.059 -1.508 0.000 0.898 94 L HN 0.393 nan 8.230 nan 0.000 0.433 95 A N 0.299 123.021 122.820 -0.165 0.000 1.902 95 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 95 A C 2.304 179.929 177.584 0.069 0.000 1.181 95 A CA 1.828 53.904 52.037 0.065 0.000 0.623 95 A CB -1.070 17.956 19.000 0.044 0.000 0.818 95 A HN 0.458 nan 8.150 nan 0.000 0.443 96 G N -1.308 107.510 108.800 0.030 0.000 2.623 96 G HA2 0.221 4.181 3.960 -0.000 0.000 0.214 96 G HA3 0.221 4.181 3.960 -0.000 0.000 0.214 96 G C 1.535 176.478 174.900 0.071 0.000 1.138 96 G CA 1.038 46.163 45.100 0.042 0.000 0.794 96 G HN 0.707 nan 8.290 nan 0.000 0.535 97 A N 0.296 123.165 122.820 0.081 0.000 1.898 97 A HA 0.174 4.494 4.320 -0.000 0.000 0.216 97 A C 1.562 179.218 177.584 0.119 0.000 1.181 97 A CA 1.602 53.703 52.037 0.107 0.000 0.620 97 A CB -0.292 18.776 19.000 0.114 0.000 0.819 97 A HN 0.368 nan 8.150 nan 0.000 0.442 98 K N -0.522 119.976 120.400 0.164 0.000 3.372 98 K HA -0.132 4.188 4.320 -0.000 0.000 0.272 98 K C -0.904 175.759 176.600 0.106 0.000 1.037 98 K CA 0.125 56.496 56.287 0.140 0.000 0.777 98 K CB -1.751 30.800 32.500 0.084 0.000 1.347 98 K HN 0.564 nan 8.250 nan 0.000 0.460 99 I N 1.935 122.588 120.570 0.138 0.000 2.710 99 I HA -0.134 4.036 4.170 -0.000 0.000 0.286 99 I C 1.757 177.865 176.117 -0.015 0.000 1.181 99 I CA 0.515 61.838 61.300 0.038 0.000 1.430 99 I CB 0.345 38.349 38.000 0.006 0.000 1.367 99 I HN 0.351 nan 8.210 nan 0.000 0.577 100 I N 2.677 123.221 120.570 -0.044 0.000 4.530 100 I HA 0.188 4.358 4.170 -0.000 0.000 0.318 100 I C 0.335 176.410 176.117 -0.070 0.000 1.257 100 I CA 0.362 61.637 61.300 -0.041 0.000 1.301 100 I CB 0.503 38.490 38.000 -0.022 0.000 1.297 100 I HN 0.516 nan 8.210 nan 0.000 0.451 101 E N -0.125 120.011 120.200 -0.106 0.000 2.412 101 E HA 0.292 4.642 4.350 -0.000 0.000 0.279 101 E C 0.205 176.672 176.600 -0.222 0.000 0.984 101 E CA -0.223 56.086 56.400 -0.151 0.000 0.788 101 E CB 2.835 32.477 29.700 -0.096 0.000 1.277 101 E HN -0.289 nan 8.360 nan 0.000 0.455 102 V N 0.085 119.789 119.914 -0.351 0.000 2.302 102 V HA 0.022 4.142 4.120 -0.000 0.000 0.243 102 V C 1.443 177.114 176.094 -0.705 0.000 1.036 102 V CA 2.243 64.291 62.300 -0.419 0.000 1.020 102 V CB -0.102 31.488 31.823 -0.388 0.000 0.657 102 V HN 0.792 nan 8.190 nan 0.000 0.453 103 G N -1.610 106.267 108.800 -1.539 0.000 3.443 103 G HA2 0.367 4.327 3.960 -0.000 0.000 0.252 103 G HA3 0.367 4.327 3.960 -0.000 0.000 0.252 103 G C -0.476 172.199 174.900 -3.708 0.000 1.015 103 G CA 0.658 44.770 45.100 -1.647 0.000 0.891 103 G HN 0.476 nan 8.290 nan 0.000 0.510 104 D N -0.120 114.057 120.400 -10.373 0.000 3.046 104 D HA -0.037 4.603 4.640 -0.000 0.000 0.203 104 D C -0.152 174.179 176.300 -3.282 0.000 1.192 104 D CA 0.792 48.992 54.000 -9.666 0.000 0.620 104 D CB -1.557 37.432 40.800 -3.018 0.000 0.460 104 D HN 0.368 nan 8.370 nan 0.000 0.222 105 T N 1.540 115.195 114.554 -1.499 0.000 0.732 105 T HA -0.069 4.281 4.350 -0.000 0.000 0.754 105 T C -2.341 172.331 174.700 -0.048 0.000 0.989 105 T CA 0.149 61.987 62.100 -0.437 0.000 3.981 105 T CB -0.234 68.427 68.868 -0.344 0.000 2.250 105 T HN 0.373 nan 8.240 nan 0.000 0.392 106 P HA 0.303 nan 4.420 nan 0.000 0.274 106 P C 0.147 177.466 177.300 0.032 0.000 1.260 106 P CA -0.068 63.103 63.100 0.118 0.000 0.793 106 P CB 0.425 32.178 31.700 0.088 0.000 1.048 107 K N 0.603 120.992 120.400 -0.018 0.000 3.255 107 K HA -0.102 4.218 4.320 -0.000 0.000 0.267 107 K C -1.200 175.336 176.600 -0.107 0.000 1.195 107 K CA 0.706 56.964 56.287 -0.048 0.000 0.805 107 K CB -2.287 30.202 32.500 -0.019 0.000 1.325 107 K HN 0.795 nan 8.250 nan 0.000 0.489 108 D N -0.834 119.388 120.400 -0.297 0.000 4.610 108 D HA 0.057 4.697 4.640 -0.000 0.000 0.202 108 D C -0.020 175.312 176.300 -1.613 0.000 1.379 108 D CA -0.645 52.850 54.000 -0.840 0.000 0.941 108 D CB -0.219 40.373 40.800 -0.347 0.000 1.336 108 D HN 0.212 nan 8.370 nan 0.000 0.931 109 R N 0.597 120.612 120.500 -0.809 0.000 2.549 109 R HA 0.746 5.086 4.340 -0.000 0.000 0.361 109 R C 0.858 177.143 176.300 -0.025 0.000 0.969 109 R CA 0.382 56.239 56.100 -0.405 0.000 1.158 109 R CB 1.020 31.219 30.300 -0.167 0.000 1.456 109 R HN 0.480 nan 8.270 nan 0.000 0.540 110 A N 0.046 122.959 122.820 0.155 0.000 4.016 110 A HA -0.065 4.255 4.320 -0.000 0.000 0.174 110 A C 0.428 178.103 177.584 0.152 0.000 1.860 110 A CA -0.169 52.020 52.037 0.253 0.000 1.697 110 A CB -1.408 17.675 19.000 0.137 0.000 0.432 110 A HN 0.122 nan 8.150 nan 0.000 0.579 111 L N 0.006 121.273 121.223 0.074 0.000 2.728 111 L HA 0.326 4.666 4.340 -0.000 0.000 0.235 111 L C 1.329 178.261 176.870 0.104 0.000 1.197 111 L CA -0.082 54.789 54.840 0.051 0.000 0.992 111 L CB -0.386 41.667 42.059 -0.009 0.000 1.263 111 L HN 0.376 nan 8.230 nan 0.000 0.484 112 F N 0.518 120.478 119.950 0.017 0.000 2.604 112 F HA -0.063 4.464 4.527 -0.000 0.000 0.298 112 F C 2.147 177.935 175.800 -0.021 0.000 1.131 112 F CA 0.726 58.737 58.000 0.017 0.000 1.457 112 F CB -0.305 38.730 39.000 0.058 0.000 1.095 112 F HN 0.295 nan 8.300 nan 0.000 0.574 113 N N -0.122 118.675 118.700 0.162 0.000 2.142 113 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 113 N C 2.250 177.770 175.510 0.016 0.000 1.023 113 N CA 1.427 54.519 53.050 0.070 0.000 0.852 113 N CB -0.708 37.810 38.487 0.051 0.000 0.998 113 N HN 0.353 nan 8.380 nan 0.000 0.424 114 G N 0.609 109.410 108.800 0.002 0.000 2.464 114 G HA2 0.045 4.005 3.960 -0.000 0.000 0.217 114 G HA3 0.045 4.005 3.960 -0.000 0.000 0.217 114 G C 1.664 176.489 174.900 -0.124 0.000 1.138 114 G CA 0.689 45.764 45.100 -0.042 0.000 0.793 114 G HN 0.370 nan 8.290 nan 0.000 0.539 115 A N 0.176 122.892 122.820 -0.172 0.000 1.898 115 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 115 A C 2.246 179.327 177.584 -0.838 0.000 1.181 115 A CA 1.907 53.660 52.037 -0.473 0.000 0.620 115 A CB -0.380 18.444 19.000 -0.294 0.000 0.819 115 A HN 0.347 nan 8.150 nan 0.000 0.442 116 Q N -0.096 119.479 119.800 -0.374 0.000 2.124 116 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 116 Q C 1.618 177.563 176.000 -0.091 0.000 0.977 116 Q CA 1.453 57.147 55.803 -0.182 0.000 0.850 116 Q CB -0.178 28.557 28.738 -0.004 0.000 0.901 116 Q HN 0.492 nan 8.270 nan 0.000 0.429 117 K N 0.542 120.889 120.400 -0.088 0.000 2.057 117 K HA -0.093 4.227 4.320 -0.000 0.000 0.207 117 K C 2.330 178.923 176.600 -0.012 0.000 1.049 117 K CA 0.768 57.041 56.287 -0.024 0.000 0.931 117 K CB -0.515 31.973 32.500 -0.021 0.000 0.714 117 K HN 0.261 nan 8.250 nan 0.000 0.440 118 L N -0.154 121.031 121.223 -0.063 0.000 2.046 118 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 118 L C 2.221 179.191 176.870 0.168 0.000 1.077 118 L CA 0.962 55.802 54.840 0.000 0.000 0.747 118 L CB -0.388 41.649 42.059 -0.037 0.000 0.896 118 L HN 0.000 nan 8.230 nan 0.000 0.432 119 F N -0.057 119.909 119.950 0.026 0.000 2.558 119 F HA 0.061 4.588 4.527 -0.000 0.000 0.298 119 F C 2.365 178.182 175.800 0.029 0.000 1.119 119 F CA 0.529 58.556 58.000 0.044 0.000 1.451 119 F CB -1.704 37.349 39.000 0.088 0.000 1.091 119 F HN 0.012 nan 8.300 nan 0.000 0.563 120 G N -0.167 108.755 108.800 0.202 0.000 2.422 120 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.218 120 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.218 120 G C 1.679 176.629 174.900 0.083 0.000 1.146 120 G CA 0.469 45.645 45.100 0.127 0.000 0.769 120 G HN 0.070 nan 8.290 nan 0.000 0.547 121 M N 0.439 120.077 119.600 0.064 0.000 2.175 121 M HA 0.098 4.578 4.480 -0.000 0.000 0.264 121 M C 2.595 178.883 176.300 -0.020 0.000 1.063 121 M CA 0.828 56.140 55.300 0.019 0.000 1.119 121 M CB -0.905 31.696 32.600 0.001 0.000 1.377 121 M HN 0.273 nan 8.290 nan 0.000 0.415 122 I N -0.206 120.364 120.570 0.001 0.000 2.252 122 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 122 I C 2.160 178.251 176.117 -0.043 0.000 1.102 122 I CA 1.190 62.470 61.300 -0.034 0.000 1.385 122 I CB -0.456 37.541 38.000 -0.005 0.000 1.064 122 I HN 0.147 nan 8.210 nan 0.000 0.414 123 I N 0.464 121.037 120.570 0.006 0.000 2.928 123 I HA -0.150 4.020 4.170 -0.000 0.000 0.266 123 I C 2.307 178.425 176.117 0.002 0.000 1.234 123 I CA 0.878 62.187 61.300 0.015 0.000 1.483 123 I CB -0.504 37.529 38.000 0.055 0.000 1.097 123 I HN 0.233 nan 8.210 nan 0.000 0.455 124 T N 1.504 116.052 114.554 -0.009 0.000 2.708 124 T HA -0.099 4.251 4.350 -0.000 0.000 0.266 124 T C 1.894 176.574 174.700 -0.033 0.000 1.037 124 T CA 1.395 63.500 62.100 0.009 0.000 1.146 124 T CB -0.234 68.663 68.868 0.047 0.000 0.865 124 T HN 0.292 nan 8.240 nan 0.000 0.435 125 I N 1.247 121.683 120.570 -0.223 0.000 2.252 125 I HA 0.002 4.172 4.170 -0.000 0.000 0.245 125 I C 2.930 178.964 176.117 -0.139 0.000 1.102 125 I CA 1.286 62.359 61.300 -0.378 0.000 1.385 125 I CB -0.838 36.845 38.000 -0.528 0.000 1.064 125 I HN 0.287 nan 8.210 nan 0.000 0.414 126 G N 0.182 108.934 108.800 -0.080 0.000 2.430 126 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 126 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 126 G C 1.614 176.521 174.900 0.010 0.000 1.146 126 G CA 0.387 45.469 45.100 -0.029 0.000 0.793 126 G HN 0.279 nan 8.290 nan 0.000 0.537 127 Q N 1.230 121.042 119.800 0.021 0.000 2.167 127 Q HA -0.017 4.323 4.340 -0.000 0.000 0.202 127 Q C 2.595 178.633 176.000 0.064 0.000 0.970 127 Q CA 1.754 57.585 55.803 0.047 0.000 0.855 127 Q CB -0.376 28.386 28.738 0.040 0.000 0.911 127 Q HN 0.365 nan 8.270 nan 0.000 0.438 128 S N 0.019 115.746 115.700 0.045 0.000 2.382 128 S HA -0.094 4.376 4.470 -0.000 0.000 0.228 128 S C 1.808 176.454 174.600 0.078 0.000 1.027 128 S CA 1.312 59.539 58.200 0.045 0.000 0.991 128 S CB -0.324 62.909 63.200 0.055 0.000 0.823 128 S HN 0.447 nan 8.310 nan 0.000 0.469 129 I N 1.313 121.920 120.570 0.062 0.000 2.286 129 I HA -0.127 4.043 4.170 -0.000 0.000 0.248 129 I C 2.108 178.277 176.117 0.087 0.000 1.115 129 I CA 0.823 62.161 61.300 0.063 0.000 1.392 129 I CB -0.599 37.425 38.000 0.041 0.000 1.065 129 I HN 0.141 nan 8.210 nan 0.000 0.418 130 V N 0.128 120.100 119.914 0.097 0.000 2.407 130 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 130 V C 2.326 178.500 176.094 0.133 0.000 1.055 130 V CA 1.860 64.223 62.300 0.105 0.000 1.049 130 V CB -0.870 31.014 31.823 0.102 0.000 0.662 130 V HN 0.357 nan 8.190 nan 0.000 0.455 131 Y N 1.244 121.559 120.300 0.024 0.000 2.145 131 Y HA -0.221 4.329 4.550 -0.000 0.000 0.286 131 Y C 2.508 178.439 175.900 0.053 0.000 1.145 131 Y CA 2.148 60.262 58.100 0.023 0.000 1.148 131 Y CB -0.175 38.272 38.460 -0.021 0.000 0.981 131 Y HN 0.201 nan 8.280 nan 0.000 0.507 132 V N -0.891 119.116 119.914 0.155 0.000 2.591 132 V HA -0.227 3.893 4.120 -0.000 0.000 0.249 132 V C 2.010 178.155 176.094 0.084 0.000 1.053 132 V CA 1.762 64.137 62.300 0.126 0.000 1.068 132 V CB -0.903 30.991 31.823 0.117 0.000 0.689 132 V HN 0.562 nan 8.190 nan 0.000 0.462 133 M N -0.035 119.609 119.600 0.073 0.000 2.506 133 M HA 0.046 4.526 4.480 -0.000 0.000 0.260 133 M C 1.741 178.078 176.300 0.061 0.000 1.104 133 M CA 1.862 57.204 55.300 0.071 0.000 1.112 133 M CB -0.891 31.756 32.600 0.079 0.000 1.401 133 M HN 0.239 nan 8.290 nan 0.000 0.473 134 T N 1.029 115.604 114.554 0.036 0.000 3.043 134 T HA 0.232 4.582 4.350 -0.000 0.000 0.263 134 T C 1.224 175.934 174.700 0.016 0.000 1.094 134 T CA 1.033 63.152 62.100 0.032 0.000 1.127 134 T CB -0.103 68.779 68.868 0.024 0.000 0.905 134 T HN 0.804 nan 8.240 nan 0.000 0.490 135 G N 1.618 110.414 108.800 -0.007 0.000 2.203 135 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.231 135 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.231 135 G C 0.534 175.398 174.900 -0.060 0.000 1.058 135 G CA 0.129 45.227 45.100 -0.004 0.000 0.781 135 G HN 0.480 nan 8.290 nan 0.000 0.496 136 M N -1.015 118.455 119.600 -0.218 0.000 2.495 136 M HA 0.312 4.792 4.480 -0.000 0.000 0.237 136 M C 1.386 177.457 176.300 -0.382 0.000 1.131 136 M CA 0.403 55.440 55.300 -0.440 0.000 1.032 136 M CB 0.356 32.365 32.600 -0.985 0.000 1.513 136 M HN 0.383 nan 8.290 nan 0.000 0.488 137 Y N -0.250 119.900 120.300 -0.250 0.000 2.531 137 Y HA 0.341 4.891 4.550 -0.000 0.000 0.249 137 Y C 1.132 177.026 175.900 -0.011 0.000 1.168 137 Y CA 0.108 58.199 58.100 -0.016 0.000 1.226 137 Y CB 0.774 39.303 38.460 0.114 0.000 1.177 137 Y HN 0.316 nan 8.280 nan 0.000 0.527 138 G N 1.400 110.158 108.800 -0.070 0.000 2.137 138 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.237 138 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.237 138 G C -0.529 174.340 174.900 -0.053 0.000 1.002 138 G CA 0.182 45.224 45.100 -0.096 0.000 0.702 138 G HN 0.446 nan 8.290 nan 0.000 0.515 139 D N 0.448 120.855 120.400 0.012 0.000 2.399 139 D HA 0.414 5.054 4.640 -0.000 0.000 0.241 139 D C -0.680 175.633 176.300 0.022 0.000 1.133 139 D CA -0.505 53.520 54.000 0.041 0.000 0.890 139 D CB 1.042 41.890 40.800 0.079 0.000 1.201 139 D HN 0.157 nan 8.370 nan 0.000 0.432 140 P HA 0.124 nan 4.420 nan 0.000 0.261 140 P C -0.938 176.379 177.300 0.028 0.000 1.352 140 P CA -0.203 62.908 63.100 0.019 0.000 0.891 140 P CB 0.402 32.111 31.700 0.015 0.000 1.383 141 S N 0.442 116.166 115.700 0.038 0.000 4.138 141 S HA -0.076 4.394 4.470 -0.000 0.000 0.407 141 S C -0.217 174.410 174.600 0.046 0.000 0.919 141 S CA 0.405 58.632 58.200 0.044 0.000 1.144 141 S CB -1.920 61.304 63.200 0.040 0.000 0.811 141 S HN 0.510 nan 8.310 nan 0.000 0.533 142 E N -0.330 119.903 120.200 0.055 0.000 7.296 142 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 142 E C 0.502 177.136 176.600 0.056 0.000 0.927 142 E CA 0.750 57.185 56.400 0.059 0.000 1.652 142 E CB -1.207 28.523 29.700 0.049 0.000 0.901 142 E HN 0.728 nan 8.360 nan 0.000 0.281 143 M N 0.554 120.197 119.600 0.070 0.000 2.419 143 M HA 0.279 4.759 4.480 -0.000 0.000 0.264 143 M C 0.966 177.305 176.300 0.065 0.000 1.082 143 M CA 1.617 56.954 55.300 0.063 0.000 1.119 143 M CB 0.578 33.221 32.600 0.071 0.000 1.398 143 M HN 0.410 nan 8.290 nan 0.000 0.453 144 G N -0.247 108.599 108.800 0.076 0.000 2.282 144 G HA2 0.414 4.374 3.960 -0.000 0.000 0.274 144 G HA3 0.414 4.374 3.960 -0.000 0.000 0.274 144 G C -0.054 174.895 174.900 0.080 0.000 1.718 144 G CA -0.452 44.690 45.100 0.071 0.000 0.927 144 G HN 0.188 nan 8.290 nan 0.000 0.733 145 A N 0.681 123.540 122.820 0.065 0.000 1.930 145 A HA 0.295 4.615 4.320 -0.000 0.000 0.217 145 A C 2.587 180.212 177.584 0.069 0.000 1.175 145 A CA 2.847 54.922 52.037 0.063 0.000 0.627 145 A CB -0.620 18.409 19.000 0.048 0.000 0.815 145 A HN 1.961 nan 8.150 nan 0.000 0.443 146 G N -0.227 108.614 108.800 0.069 0.000 2.421 146 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.217 146 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.217 146 G C 1.477 176.436 174.900 0.099 0.000 1.143 146 G CA 0.984 46.125 45.100 0.069 0.000 0.784 146 G HN 0.480 nan 8.290 nan 0.000 0.541 147 I N 0.349 120.995 120.570 0.128 0.000 2.286 147 I HA -0.115 4.055 4.170 -0.000 0.000 0.245 147 I C 2.593 178.829 176.117 0.199 0.000 1.104 147 I CA 0.348 61.763 61.300 0.191 0.000 1.397 147 I CB -0.298 37.818 38.000 0.192 0.000 1.072 147 I HN 0.137 nan 8.210 nan 0.000 0.417 148 C N 0.529 119.920 119.300 0.152 0.000 2.422 148 C HA -0.113 4.346 4.460 -0.000 0.000 0.279 148 C C 2.730 177.760 174.990 0.067 0.000 1.305 148 C CA 0.308 59.389 59.018 0.105 0.000 1.757 148 C CB -0.893 26.906 27.740 0.099 0.000 1.962 148 C HN 0.501 nan 8.230 nan 0.000 0.499 149 L N 0.661 121.932 121.223 0.080 0.000 2.046 149 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 149 L C 2.246 179.161 176.870 0.075 0.000 1.077 149 L CA 1.842 56.725 54.840 0.072 0.000 0.747 149 L CB -0.715 41.381 42.059 0.062 0.000 0.896 149 L HN 0.295 nan 8.230 nan 0.000 0.432 150 L N -1.156 120.128 121.223 0.102 0.000 2.141 150 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 150 L C 2.441 179.423 176.870 0.187 0.000 1.094 150 L CA 0.913 55.824 54.840 0.119 0.000 0.763 150 L CB -0.500 41.657 42.059 0.164 0.000 0.908 150 L HN 0.345 nan 8.230 nan 0.000 0.437 151 I N -0.504 120.151 120.570 0.143 0.000 2.353 151 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 151 I C 2.310 178.399 176.117 -0.048 0.000 1.119 151 I CA 1.676 62.980 61.300 0.007 0.000 1.417 151 I CB -0.281 37.540 38.000 -0.298 0.000 1.078 151 I HN 0.068 nan 8.210 nan 0.000 0.421 152 T N 2.142 116.688 114.554 -0.013 0.000 2.720 152 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 152 T C 1.946 176.722 174.700 0.126 0.000 1.037 152 T CA 2.185 64.318 62.100 0.055 0.000 1.144 152 T CB -0.578 68.351 68.868 0.102 0.000 0.864 152 T HN 0.609 nan 8.240 nan 0.000 0.444 153 I N 0.172 120.768 120.570 0.043 0.000 2.286 153 I HA -0.175 3.995 4.170 -0.000 0.000 0.248 153 I C 2.391 178.293 176.117 -0.358 0.000 1.115 153 I CA 1.254 62.436 61.300 -0.196 0.000 1.392 153 I CB -0.630 37.288 38.000 -0.138 0.000 1.065 153 I HN 0.070 nan 8.210 nan 0.000 0.418 154 Q N 1.743 121.445 119.800 -0.163 0.000 2.079 154 Q HA -0.049 4.291 4.340 -0.000 0.000 0.200 154 Q C 2.458 178.362 176.000 -0.160 0.000 0.974 154 Q CA 1.562 57.279 55.803 -0.143 0.000 0.840 154 Q CB -0.525 28.187 28.738 -0.043 0.000 0.898 154 Q HN 0.625 nan 8.270 nan 0.000 0.430 155 L N 0.143 121.294 121.223 -0.121 0.000 2.027 155 L HA -0.133 4.207 4.340 -0.000 0.000 0.206 155 L C 2.491 179.342 176.870 -0.031 0.000 1.074 155 L CA 1.374 56.156 54.840 -0.097 0.000 0.745 155 L CB -0.725 41.270 42.059 -0.105 0.000 0.898 155 L HN 0.189 nan 8.230 nan 0.000 0.433 156 F N -0.914 118.991 119.950 -0.076 0.000 2.206 156 F HA -0.019 4.508 4.527 -0.000 0.000 0.298 156 F C 2.155 177.922 175.800 -0.054 0.000 1.090 156 F CA 0.673 58.638 58.000 -0.059 0.000 1.323 156 F CB -1.308 37.668 39.000 -0.040 0.000 1.028 156 F HN -0.276 nan 8.300 nan 0.000 0.492 157 V N 1.487 121.151 119.914 -0.416 0.000 2.343 157 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 157 V C 2.980 178.993 176.094 -0.135 0.000 1.051 157 V CA 1.878 63.962 62.300 -0.360 0.000 1.036 157 V CB -1.453 30.074 31.823 -0.493 0.000 0.654 157 V HN 0.584 nan 8.190 nan 0.000 0.451 158 A N 0.297 123.044 122.820 -0.122 0.000 1.902 158 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 158 A C 2.335 179.879 177.584 -0.067 0.000 1.181 158 A CA 1.928 53.910 52.037 -0.090 0.000 0.623 158 A CB -1.014 17.928 19.000 -0.096 0.000 0.818 158 A HN 0.550 nan 8.150 nan 0.000 0.443 159 G N -1.039 107.724 108.800 -0.063 0.000 2.623 159 G HA2 0.108 4.068 3.960 -0.000 0.000 0.214 159 G HA3 0.108 4.068 3.960 -0.000 0.000 0.214 159 G C 1.342 176.240 174.900 -0.003 0.000 1.138 159 G CA 0.811 45.865 45.100 -0.077 0.000 0.794 159 G HN 0.414 nan 8.290 nan 0.000 0.535 160 L N 0.901 122.155 121.223 0.051 0.000 2.093 160 L HA 0.082 4.422 4.340 -0.000 0.000 0.208 160 L C 2.449 179.354 176.870 0.059 0.000 1.085 160 L CA 1.203 56.099 54.840 0.093 0.000 0.755 160 L CB -0.242 41.926 42.059 0.183 0.000 0.904 160 L HN 0.056 nan 8.230 nan 0.000 0.435 161 I N -1.092 119.496 120.570 0.030 0.000 2.226 161 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 161 I C 2.552 178.698 176.117 0.048 0.000 1.100 161 I CA 1.148 62.464 61.300 0.026 0.000 1.374 161 I CB -1.413 36.585 38.000 -0.003 0.000 1.057 161 I HN 0.085 nan 8.210 nan 0.000 0.413 162 V N 0.728 120.678 119.914 0.060 0.000 2.407 162 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 162 V C 2.504 178.671 176.094 0.121 0.000 1.055 162 V CA 1.246 63.618 62.300 0.121 0.000 1.049 162 V CB -0.599 31.320 31.823 0.159 0.000 0.662 162 V HN 0.296 nan 8.190 nan 0.000 0.455 163 L N -0.568 120.706 121.223 0.086 0.000 2.141 163 L HA -0.048 4.292 4.340 -0.000 0.000 0.209 163 L C 2.105 179.023 176.870 0.079 0.000 1.094 163 L CA 1.681 56.574 54.840 0.088 0.000 0.763 163 L CB -0.471 41.631 42.059 0.072 0.000 0.908 163 L HN 0.203 nan 8.230 nan 0.000 0.437 164 L N -1.451 119.811 121.223 0.066 0.000 2.056 164 L HA -0.216 4.124 4.340 -0.000 0.000 0.207 164 L C 2.366 179.270 176.870 0.057 0.000 1.078 164 L CA 1.163 56.034 54.840 0.051 0.000 0.749 164 L CB -0.520 41.562 42.059 0.039 0.000 0.901 164 L HN 0.245 nan 8.230 nan 0.000 0.433 165 L N -0.573 120.697 121.223 0.077 0.000 2.217 165 L HA -0.177 4.163 4.340 -0.000 0.000 0.211 165 L C 2.084 179.026 176.870 0.121 0.000 1.107 165 L CA 0.848 55.746 54.840 0.097 0.000 0.783 165 L CB -0.428 41.697 42.059 0.111 0.000 0.919 165 L HN 0.272 nan 8.230 nan 0.000 0.442 166 D N -0.031 120.446 120.400 0.128 0.000 2.117 166 D HA -0.199 4.441 4.640 -0.000 0.000 0.198 166 D C 2.084 178.452 176.300 0.113 0.000 0.982 166 D CA 1.037 55.120 54.000 0.140 0.000 0.828 166 D CB 0.228 41.116 40.800 0.147 0.000 0.967 166 D HN 0.118 nan 8.370 nan 0.000 0.464 167 E N 0.082 120.334 120.200 0.086 0.000 2.110 167 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 167 E C 2.325 178.968 176.600 0.071 0.000 0.988 167 E CA 0.500 56.940 56.400 0.067 0.000 0.804 167 E CB -0.289 29.436 29.700 0.042 0.000 0.745 167 E HN 0.455 nan 8.360 nan 0.000 0.458 168 L N 0.184 121.448 121.223 0.068 0.000 2.465 168 L HA -0.068 4.272 4.340 -0.000 0.000 0.224 168 L C 2.163 179.112 176.870 0.131 0.000 1.145 168 L CA 0.381 55.262 54.840 0.069 0.000 0.834 168 L CB -0.125 41.928 42.059 -0.010 0.000 0.944 168 L HN 0.055 nan 8.230 nan 0.000 0.451 169 L N -1.592 119.717 121.223 0.143 0.000 2.470 169 L HA 0.040 4.380 4.340 -0.000 0.000 0.219 169 L C 1.963 178.930 176.870 0.161 0.000 1.071 169 L CA 0.111 55.054 54.840 0.171 0.000 0.850 169 L CB -0.007 42.162 42.059 0.183 0.000 1.040 169 L HN 0.159 nan 8.230 nan 0.000 0.475 170 Q N 0.028 119.907 119.800 0.132 0.000 2.319 170 Q HA 0.097 4.437 4.340 -0.000 0.000 0.202 170 Q C 0.676 176.734 176.000 0.097 0.000 0.896 170 Q CA 0.400 56.272 55.803 0.114 0.000 0.942 170 Q CB 0.379 29.175 28.738 0.097 0.000 1.083 170 Q HN 0.204 nan 8.270 nan 0.000 0.510 171 K N 0.671 121.133 120.400 0.103 0.000 2.827 171 K HA 0.196 4.515 4.320 -0.000 0.000 0.222 171 K C 0.176 176.839 176.600 0.105 0.000 1.114 171 K CA -0.014 56.320 56.287 0.079 0.000 1.206 171 K CB 0.081 32.612 32.500 0.052 0.000 1.035 171 K HN 0.281 nan 8.250 nan 0.000 0.464 172 G N 1.761 110.636 108.800 0.124 0.000 2.371 172 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.299 172 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.299 172 G C -0.102 174.927 174.900 0.216 0.000 1.014 172 G CA 0.515 45.696 45.100 0.134 0.000 1.097 172 G HN 0.553 nan 8.290 nan 0.000 0.512 173 Y N -0.870 119.474 120.300 0.074 0.000 2.926 173 Y HA 0.470 5.020 4.550 -0.000 0.000 0.258 173 Y C 0.817 176.840 175.900 0.205 0.000 1.110 173 Y CA 0.052 58.214 58.100 0.102 0.000 1.224 173 Y CB 0.328 38.815 38.460 0.043 0.000 1.276 173 Y HN 0.620 nan 8.280 nan 0.000 0.595 174 G N -0.304 108.604 108.800 0.180 0.000 2.949 174 G HA2 0.506 4.466 3.960 -0.000 0.000 0.285 174 G HA3 0.506 4.466 3.960 -0.000 0.000 0.285 174 G C -0.422 174.579 174.900 0.168 0.000 1.395 174 G CA -0.606 44.593 45.100 0.165 0.000 0.901 174 G HN 0.110 nan 8.290 nan 0.000 0.519 175 L N -0.423 120.930 121.223 0.217 0.000 2.953 175 L HA 0.318 4.658 4.340 -0.000 0.000 0.258 175 L C 1.711 178.839 176.870 0.430 0.000 1.100 175 L CA 0.261 55.248 54.840 0.245 0.000 0.971 175 L CB 0.381 42.498 42.059 0.097 0.000 1.474 175 L HN 0.640 nan 8.230 nan 0.000 0.540 176 G N -0.155 108.921 108.800 0.460 0.000 2.570 176 G HA2 0.350 4.310 3.960 -0.000 0.000 0.276 176 G HA3 0.350 4.310 3.960 -0.000 0.000 0.276 176 G C -0.504 174.564 174.900 0.280 0.000 1.346 176 G CA 0.097 45.451 45.100 0.423 0.000 1.034 176 G HN 0.010 nan 8.290 nan 0.000 0.512 177 S N -2.702 113.116 115.700 0.196 0.000 2.556 177 S HA 0.592 5.062 4.470 -0.000 0.000 0.271 177 S C 0.787 175.493 174.600 0.176 0.000 1.135 177 S CA 0.290 58.576 58.200 0.144 0.000 0.858 177 S CB 1.425 64.654 63.200 0.049 0.000 1.114 177 S HN 1.004 nan 8.310 nan 0.000 0.468 178 G N 2.189 111.115 108.800 0.210 0.000 2.556 178 G HA2 0.107 4.067 3.960 -0.000 0.000 0.209 178 G HA3 0.107 4.067 3.960 -0.000 0.000 0.209 178 G C 1.257 176.360 174.900 0.338 0.000 1.159 178 G CA 0.468 45.772 45.100 0.339 0.000 0.828 178 G HN 0.720 nan 8.290 nan 0.000 0.553 179 I N 0.845 121.527 120.570 0.186 0.000 2.202 179 I HA -0.141 4.029 4.170 -0.000 0.000 0.242 179 I C 2.640 178.547 176.117 -0.350 0.000 1.091 179 I CA 1.582 62.919 61.300 0.061 0.000 1.368 179 I CB 0.117 38.150 38.000 0.056 0.000 1.058 179 I HN 0.117 nan 8.210 nan 0.000 0.410 180 S N 0.805 116.359 115.700 -0.243 0.000 2.387 180 S HA -0.113 4.357 4.470 -0.000 0.000 0.226 180 S C 1.751 176.123 174.600 -0.380 0.000 1.026 180 S CA 1.069 59.072 58.200 -0.328 0.000 0.972 180 S CB -0.335 62.715 63.200 -0.250 0.000 0.814 180 S HN 0.381 nan 8.310 nan 0.000 0.477 181 L N 2.046 123.124 121.223 -0.241 0.000 2.056 181 L HA 0.024 4.364 4.340 -0.000 0.000 0.207 181 L C 1.980 178.747 176.870 -0.173 0.000 1.078 181 L CA 1.610 56.383 54.840 -0.113 0.000 0.749 181 L CB -0.949 41.199 42.059 0.148 0.000 0.901 181 L HN 0.498 nan 8.230 nan 0.000 0.433 182 F N -2.091 117.568 119.950 -0.485 0.000 2.293 182 F HA -0.058 4.469 4.527 -0.000 0.000 0.300 182 F C 2.011 177.533 175.800 -0.462 0.000 1.086 182 F CA 0.686 58.107 58.000 -0.965 0.000 1.375 182 F CB -0.929 37.113 39.000 -1.597 0.000 1.045 182 F HN -0.063 nan 8.300 nan 0.000 0.516 183 I N 1.876 121.971 120.570 -0.792 0.000 2.226 183 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 183 I C 2.838 178.799 176.117 -0.260 0.000 1.100 183 I CA 1.482 62.471 61.300 -0.517 0.000 1.374 183 I CB -1.851 35.804 38.000 -0.574 0.000 1.057 183 I HN 0.367 nan 8.210 nan 0.000 0.413 184 A N 0.610 123.291 122.820 -0.232 0.000 1.930 184 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 184 A C 2.414 179.945 177.584 -0.088 0.000 1.175 184 A CA 2.169 54.128 52.037 -0.130 0.000 0.627 184 A CB -0.996 17.944 19.000 -0.100 0.000 0.815 184 A HN 0.419 nan 8.150 nan 0.000 0.443 185 T N 0.578 115.093 114.554 -0.066 0.000 2.746 185 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 185 T C 1.983 176.657 174.700 -0.044 0.000 1.039 185 T CA 1.528 63.627 62.100 -0.003 0.000 1.142 185 T CB -0.423 68.520 68.868 0.126 0.000 0.866 185 T HN 0.596 nan 8.240 nan 0.000 0.444 186 N N 1.414 120.081 118.700 -0.056 0.000 2.120 186 N HA -0.035 4.705 4.740 -0.000 0.000 0.188 186 N C 1.695 177.120 175.510 -0.142 0.000 1.024 186 N CA 1.203 54.211 53.050 -0.071 0.000 0.852 186 N CB -0.465 38.011 38.487 -0.018 0.000 1.003 186 N HN 0.433 nan 8.380 nan 0.000 0.424 187 I N -0.184 120.314 120.570 -0.119 0.000 2.315 187 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 187 I C 2.162 178.191 176.117 -0.148 0.000 1.117 187 I CA 0.552 61.779 61.300 -0.122 0.000 1.404 187 I CB -0.413 37.529 38.000 -0.095 0.000 1.071 187 I HN 0.205 nan 8.210 nan 0.000 0.419 188 C N 0.995 120.209 119.300 -0.143 0.000 2.429 188 C HA -0.129 4.331 4.460 -0.000 0.000 0.277 188 C C 2.664 177.498 174.990 -0.260 0.000 1.262 188 C CA 0.785 59.714 59.018 -0.148 0.000 1.733 188 C CB -1.084 26.590 27.740 -0.109 0.000 2.010 188 C HN 0.509 nan 8.230 nan 0.000 0.483 189 E N 0.483 120.437 120.200 -0.410 0.000 2.110 189 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 189 E C 2.096 177.973 176.600 -1.206 0.000 0.988 189 E CA 1.688 57.576 56.400 -0.853 0.000 0.804 189 E CB -0.329 28.774 29.700 -0.995 0.000 0.745 189 E HN 0.630 nan 8.360 nan 0.000 0.458 190 T N 1.474 115.620 114.554 -0.680 0.000 2.746 190 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 190 T C 2.002 176.623 174.700 -0.131 0.000 1.039 190 T CA 0.834 62.758 62.100 -0.293 0.000 1.142 190 T CB -0.167 68.643 68.868 -0.097 0.000 0.866 190 T HN 0.102 nan 8.240 nan 0.000 0.444 191 I N 1.640 122.122 120.570 -0.148 0.000 2.179 191 I HA -0.178 3.992 4.170 -0.000 0.000 0.242 191 I C 2.613 178.721 176.117 -0.015 0.000 1.088 191 I CA 1.160 62.419 61.300 -0.067 0.000 1.357 191 I CB -0.493 37.468 38.000 -0.065 0.000 1.051 191 I HN 0.179 nan 8.210 nan 0.000 0.409 192 V N -2.521 117.386 119.914 -0.012 0.000 2.591 192 V HA -0.127 3.993 4.120 -0.000 0.000 0.249 192 V C 2.174 178.455 176.094 0.311 0.000 1.053 192 V CA 0.705 63.095 62.300 0.149 0.000 1.068 192 V CB -0.994 30.937 31.823 0.180 0.000 0.689 192 V HN 0.376 nan 8.190 nan 0.000 0.462 193 W N 1.082 122.461 121.300 0.133 0.000 2.358 193 W HA 0.056 4.716 4.660 0.000 0.000 0.303 193 W C 2.520 179.075 176.519 0.060 0.000 1.208 193 W CA 1.104 58.520 57.345 0.118 0.000 1.274 193 W CB -0.868 28.637 29.460 0.076 0.000 1.138 193 W HN 0.240 nan 8.180 nan 0.000 0.515 194 K N 0.157 120.701 120.400 0.240 0.000 2.097 194 K HA -0.066 4.254 4.320 -0.000 0.000 0.206 194 K C 2.077 178.653 176.600 -0.041 0.000 1.049 194 K CA 1.438 57.770 56.287 0.075 0.000 0.933 194 K CB -0.924 31.587 32.500 0.018 0.000 0.717 194 K HN 0.081 nan 8.250 nan 0.000 0.442 195 A N -0.091 122.676 122.820 -0.088 0.000 2.015 195 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 195 A C 1.113 178.304 177.584 -0.655 0.000 1.163 195 A CA 1.039 52.875 52.037 -0.335 0.000 0.646 195 A CB -0.245 18.494 19.000 -0.436 0.000 0.806 195 A HN 0.214 nan 8.150 nan 0.000 0.448 196 F N -0.184 119.757 119.950 -0.016 0.000 2.805 196 F HA 0.314 4.841 4.527 -0.000 0.000 0.317 196 F C 0.736 176.484 175.800 -0.087 0.000 1.146 196 F CA -0.468 57.486 58.000 -0.076 0.000 1.265 196 F CB 0.225 39.144 39.000 -0.135 0.000 0.992 196 F HN -0.122 nan 8.300 nan 0.000 0.511 197 S N 2.580 118.270 115.700 -0.016 0.000 2.592 197 S HA 0.290 4.760 4.470 -0.000 0.000 0.271 197 S C -2.395 172.147 174.600 -0.096 0.000 1.326 197 S CA -0.878 57.301 58.200 -0.035 0.000 1.024 197 S CB 0.570 63.748 63.200 -0.037 0.000 0.921 197 S HN -0.051 nan 8.310 nan 0.000 0.527 198 P HA 0.263 nan 4.420 nan 0.000 0.295 198 P C -0.675 176.570 177.300 -0.091 0.000 1.354 198 P CA -0.407 62.634 63.100 -0.098 0.000 0.814 198 P CB 0.515 32.169 31.700 -0.077 0.000 0.935 199 T N -1.343 113.145 114.554 -0.110 0.000 3.697 199 T HA 0.345 4.695 4.350 -0.000 0.000 0.260 199 T C -0.420 174.227 174.700 -0.089 0.000 0.998 199 T CA -0.617 61.423 62.100 -0.099 0.000 1.128 199 T CB -0.958 67.837 68.868 -0.121 0.000 1.082 199 T HN 0.347 nan 8.240 nan 0.000 0.541 200 T N 0.337 114.848 114.554 -0.071 0.000 2.922 200 T HA -0.013 4.337 4.350 -0.000 0.000 0.465 200 T C -0.550 174.115 174.700 -0.057 0.000 0.792 200 T CA -0.529 61.538 62.100 -0.055 0.000 2.453 200 T CB -1.488 67.352 68.868 -0.046 0.000 1.736 200 T HN 0.633 nan 8.240 nan 0.000 0.673 201 V N 3.457 123.343 119.914 -0.047 0.000 2.577 201 V HA 0.435 4.555 4.120 -0.000 0.000 0.303 201 V C 0.868 176.951 176.094 -0.019 0.000 1.042 201 V CA -0.854 61.423 62.300 -0.039 0.000 0.872 201 V CB 2.256 34.046 31.823 -0.055 0.000 0.998 201 V HN 0.751 nan 8.190 nan 0.000 0.423 202 N N 1.625 120.323 118.700 -0.005 0.000 2.368 202 N HA 0.076 4.816 4.740 -0.000 0.000 0.178 202 N C 0.321 175.839 175.510 0.014 0.000 1.021 202 N CA 0.891 53.943 53.050 0.003 0.000 0.875 202 N CB 0.392 38.883 38.487 0.006 0.000 1.020 202 N HN 0.837 nan 8.380 nan 0.000 0.433 203 T N -2.302 112.270 114.554 0.030 0.000 2.923 203 T HA 0.644 4.994 4.350 -0.000 0.000 0.311 203 T C 0.064 174.817 174.700 0.088 0.000 1.183 203 T CA -1.079 61.050 62.100 0.050 0.000 1.020 203 T CB 1.766 70.663 68.868 0.049 0.000 1.165 203 T HN 0.074 nan 8.240 nan 0.000 0.482 204 G N 0.147 109.016 108.800 0.115 0.000 2.580 204 G HA2 0.410 4.370 3.960 -0.000 0.000 0.278 204 G HA3 0.410 4.370 3.960 -0.000 0.000 0.278 204 G C 0.503 175.523 174.900 0.199 0.000 1.212 204 G CA -0.817 44.422 45.100 0.232 0.000 0.939 204 G HN 0.895 nan 8.290 nan 0.000 0.513 205 R N -0.934 119.690 120.500 0.206 0.000 2.210 205 R HA 0.194 4.534 4.340 -0.000 0.000 0.203 205 R C 1.536 177.848 176.300 0.020 0.000 1.010 205 R CA 1.087 57.211 56.100 0.039 0.000 1.008 205 R CB 0.052 30.258 30.300 -0.157 0.000 0.923 205 R HN 0.939 nan 8.270 nan 0.000 0.469 206 G N 0.274 109.100 108.800 0.044 0.000 2.273 206 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.162 206 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.162 206 G C -0.054 174.860 174.900 0.023 0.000 1.006 206 G CA 0.062 45.178 45.100 0.027 0.000 0.704 206 G HN 0.316 nan 8.290 nan 0.000 0.487 207 M N -1.486 118.134 119.600 0.033 0.000 2.691 207 M HA 0.878 5.358 4.480 -0.000 0.000 0.293 207 M C -0.898 175.531 176.300 0.216 0.000 1.259 207 M CA -0.872 54.459 55.300 0.051 0.000 0.827 207 M CB 1.807 34.391 32.600 -0.027 0.000 1.753 207 M HN -0.127 nan 8.290 nan 0.000 0.465 208 E N 0.798 121.137 120.200 0.232 0.000 3.575 208 E HA 0.330 4.680 4.350 -0.000 0.000 0.201 208 E C -0.805 175.978 176.600 0.305 0.000 0.999 208 E CA -0.307 56.271 56.400 0.297 0.000 1.315 208 E CB 0.393 30.175 29.700 0.138 0.000 1.146 208 E HN 0.666 nan 8.360 nan 0.000 0.453 209 F N 1.583 121.612 119.950 0.132 0.000 1.897 209 F HA -0.474 4.053 4.527 -0.000 0.000 0.219 209 F C 0.791 176.560 175.800 -0.052 0.000 0.336 209 F CA 1.855 59.816 58.000 -0.065 0.000 0.735 209 F CB 0.070 38.923 39.000 -0.245 0.000 2.719 209 F HN 0.138 nan 8.300 nan 0.000 0.502 210 E N 0.098 120.156 120.200 -0.237 0.000 2.499 210 E HA 0.299 4.649 4.350 -0.000 0.000 0.199 210 E C 0.623 177.238 176.600 0.026 0.000 1.016 210 E CA 0.277 56.554 56.400 -0.206 0.000 0.933 210 E CB 0.713 30.230 29.700 -0.305 0.000 1.050 210 E HN 0.594 nan 8.360 nan 0.000 0.462 211 G N 0.658 109.521 108.800 0.106 0.000 3.259 211 G HA2 0.522 4.482 3.960 -0.000 0.000 0.193 211 G HA3 0.522 4.482 3.960 -0.000 0.000 0.193 211 G C -0.066 174.874 174.900 0.067 0.000 1.457 211 G CA 0.222 45.385 45.100 0.103 0.000 0.771 211 G HN 0.087 nan 8.290 nan 0.000 0.765 212 A N -0.215 122.640 122.820 0.057 0.000 2.515 212 A HA 0.523 4.843 4.320 -0.000 0.000 0.253 212 A C -0.010 177.590 177.584 0.027 0.000 0.863 212 A CA -0.193 51.866 52.037 0.036 0.000 1.124 212 A CB -0.543 18.462 19.000 0.007 0.000 1.214 212 A HN 0.886 nan 8.150 nan 0.000 0.470 213 I N -0.888 119.712 120.570 0.051 0.000 2.530 213 I HA 0.832 5.002 4.170 -0.000 0.000 0.297 213 I C -0.218 175.888 176.117 -0.019 0.000 1.011 213 I CA -1.201 60.107 61.300 0.014 0.000 1.107 213 I CB 1.706 39.717 38.000 0.019 0.000 1.285 213 I HN 0.226 nan 8.210 nan 0.000 0.436 214 I N 2.081 122.570 120.570 -0.135 0.000 3.100 214 I HA 1.040 5.210 4.170 -0.000 0.000 0.312 214 I C -0.236 175.659 176.117 -0.370 0.000 1.063 214 I CA -0.771 60.283 61.300 -0.411 0.000 1.031 214 I CB 1.890 39.760 38.000 -0.216 0.000 1.243 214 I HN 0.868 nan 8.210 nan 0.000 0.483 215 A N 1.991 124.516 122.820 -0.492 0.000 2.557 215 A HA 0.575 4.895 4.320 -0.000 0.000 0.292 215 A C 0.184 177.675 177.584 -0.154 0.000 1.139 215 A CA -0.782 51.106 52.037 -0.250 0.000 0.665 215 A CB 0.818 19.763 19.000 -0.093 0.000 1.285 215 A HN 0.850 nan 8.150 nan 0.000 0.433 216 L N -0.620 120.447 121.223 -0.260 0.000 2.083 216 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 216 L C 1.812 178.613 176.870 -0.114 0.000 1.083 216 L CA 1.492 56.174 54.840 -0.263 0.000 0.752 216 L CB -0.437 41.333 42.059 -0.480 0.000 0.899 216 L HN 0.772 nan 8.230 nan 0.000 0.433 217 F N -1.079 118.926 119.950 0.092 0.000 2.558 217 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 217 F C 2.395 178.339 175.800 0.240 0.000 1.119 217 F CA 0.567 58.654 58.000 0.144 0.000 1.451 217 F CB -0.841 38.252 39.000 0.154 0.000 1.091 217 F HN 0.095 nan 8.300 nan 0.000 0.563 218 H N -0.764 118.450 119.070 0.240 0.000 2.357 218 H HA -0.080 4.476 4.556 -0.000 0.000 0.301 218 H C 2.173 177.565 175.328 0.107 0.000 1.082 218 H CA 1.179 57.328 56.048 0.167 0.000 1.342 218 H CB -0.647 29.196 29.762 0.135 0.000 1.389 218 H HN 0.145 nan 8.280 nan 0.000 0.511 219 L N -0.013 121.334 121.223 0.207 0.000 2.093 219 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 219 L C 2.094 179.018 176.870 0.091 0.000 1.085 219 L CA 1.086 55.993 54.840 0.111 0.000 0.755 219 L CB -0.627 41.465 42.059 0.055 0.000 0.904 219 L HN 0.223 nan 8.230 nan 0.000 0.435 220 L N -0.234 121.057 121.223 0.113 0.000 2.046 220 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 220 L C 2.459 179.375 176.870 0.076 0.000 1.077 220 L CA 2.053 56.950 54.840 0.094 0.000 0.747 220 L CB -1.056 41.087 42.059 0.139 0.000 0.896 220 L HN 0.273 nan 8.230 nan 0.000 0.432 221 A N -1.401 121.472 122.820 0.089 0.000 1.969 221 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 221 A C 2.257 179.866 177.584 0.041 0.000 1.169 221 A CA 1.845 53.917 52.037 0.058 0.000 0.635 221 A CB -1.185 17.845 19.000 0.050 0.000 0.810 221 A HN 0.610 nan 8.150 nan 0.000 0.445 222 T N -3.010 111.573 114.554 0.049 0.000 3.035 222 T HA 0.013 4.363 4.350 -0.000 0.000 0.268 222 T C 1.489 176.204 174.700 0.026 0.000 1.109 222 T CA 1.123 63.245 62.100 0.036 0.000 1.119 222 T CB -0.168 68.726 68.868 0.044 0.000 0.900 222 T HN 0.520 nan 8.240 nan 0.000 0.503 223 R N 0.544 121.059 120.500 0.026 0.000 2.508 223 R HA 0.296 4.636 4.340 -0.000 0.000 0.300 223 R C -0.610 175.698 176.300 0.013 0.000 0.970 223 R CA -0.077 56.033 56.100 0.016 0.000 1.102 223 R CB 0.552 30.860 30.300 0.013 0.000 1.246 223 R HN 0.337 nan 8.270 nan 0.000 0.539 224 T N 0.887 115.452 114.554 0.017 0.000 0.542 224 T HA -0.178 4.172 4.350 -0.000 0.000 0.774 224 T C -0.725 173.985 174.700 0.017 0.000 0.992 224 T CA 0.008 62.117 62.100 0.015 0.000 4.076 224 T CB -0.219 68.654 68.868 0.008 0.000 2.303 224 T HN 0.350 nan 8.240 nan 0.000 0.398 225 D N 1.822 122.234 120.400 0.021 0.000 2.383 225 D HA 0.437 5.077 4.640 -0.000 0.000 0.245 225 D C 0.647 176.956 176.300 0.016 0.000 1.263 225 D CA 0.134 54.148 54.000 0.023 0.000 0.936 225 D CB 0.144 40.961 40.800 0.028 0.000 1.053 225 D HN 0.609 nan 8.370 nan 0.000 0.507 226 K N 2.145 122.549 120.400 0.006 0.000 2.434 226 K HA -0.013 4.307 4.320 -0.000 0.000 0.170 226 K C 0.775 177.362 176.600 -0.021 0.000 1.738 226 K CA 0.362 56.649 56.287 0.001 0.000 1.027 226 K CB 0.300 32.802 32.500 0.002 0.000 1.595 226 K HN 0.268 nan 8.250 nan 0.000 0.546 227 V N -1.726 118.169 119.914 -0.032 0.000 3.650 227 V HA 0.208 4.328 4.120 -0.000 0.000 0.271 227 V C 1.237 177.268 176.094 -0.105 0.000 1.281 227 V CA 0.281 62.549 62.300 -0.054 0.000 1.120 227 V CB -0.154 31.647 31.823 -0.037 0.000 0.856 227 V HN 0.132 nan 8.190 nan 0.000 0.443 228 R N 0.841 121.259 120.500 -0.136 0.000 2.334 228 R HA 0.520 4.860 4.340 -0.000 0.000 0.212 228 R C 1.730 177.707 176.300 -0.538 0.000 0.897 228 R CA 0.735 56.670 56.100 -0.276 0.000 1.056 228 R CB 0.371 30.551 30.300 -0.201 0.000 1.046 228 R HN 0.528 nan 8.270 nan 0.000 0.513 229 A N 0.515 123.152 122.820 -0.305 0.000 2.390 229 A HA 0.234 4.554 4.320 -0.000 0.000 0.232 229 A C 1.325 178.808 177.584 -0.168 0.000 1.233 229 A CA -0.028 51.854 52.037 -0.259 0.000 0.907 229 A CB 0.281 19.295 19.000 0.023 0.000 0.967 229 A HN 0.135 nan 8.150 nan 0.000 0.512 230 L N -0.440 120.692 121.223 -0.152 0.000 2.741 230 L HA 0.329 4.669 4.340 -0.000 0.000 0.237 230 L C 0.699 177.493 176.870 -0.127 0.000 1.178 230 L CA 0.027 54.805 54.840 -0.104 0.000 0.973 230 L CB 0.014 42.033 42.059 -0.067 0.000 1.255 230 L HN 0.320 nan 8.230 nan 0.000 0.498 231 R N -0.037 120.339 120.500 -0.206 0.000 2.867 231 R HA 0.238 4.578 4.340 -0.000 0.000 0.268 231 R C 0.146 176.305 176.300 -0.235 0.000 1.014 231 R CA -0.468 55.514 56.100 -0.197 0.000 0.946 231 R CB 1.382 31.556 30.300 -0.210 0.000 1.208 231 R HN 0.002 nan 8.270 nan 0.000 0.477 232 E N 0.441 120.551 120.200 -0.151 0.000 2.479 232 E HA 0.316 4.666 4.350 -0.000 0.000 0.193 232 E C -0.474 176.081 176.600 -0.075 0.000 1.049 232 E CA -0.050 56.294 56.400 -0.094 0.000 0.870 232 E CB 1.028 30.702 29.700 -0.042 0.000 0.944 232 E HN 0.501 nan 8.360 nan 0.000 0.492 233 A N -0.244 122.489 122.820 -0.145 0.000 2.569 233 A HA 0.690 5.010 4.320 -0.000 0.000 0.290 233 A C -0.956 176.451 177.584 -0.296 0.000 1.136 233 A CA -0.820 51.179 52.037 -0.063 0.000 0.710 233 A CB 0.596 19.624 19.000 0.047 0.000 1.303 233 A HN 0.128 nan 8.150 nan 0.000 0.413 234 F N -0.472 119.363 119.950 -0.191 0.000 2.683 234 F HA 0.414 4.941 4.527 -0.000 0.000 0.306 234 F C -0.738 174.534 175.800 -0.879 0.000 1.102 234 F CA 0.189 57.878 58.000 -0.517 0.000 1.244 234 F CB 0.433 39.028 39.000 -0.675 0.000 1.029 234 F HN 0.482 nan 8.300 nan 0.000 0.545 235 Y N -1.436 118.943 120.300 0.132 0.000 2.644 235 Y HA 0.526 5.076 4.550 -0.000 0.000 0.338 235 Y C 0.212 176.138 175.900 0.042 0.000 1.119 235 Y CA -2.414 55.742 58.100 0.094 0.000 1.060 235 Y CB 0.927 39.443 38.460 0.094 0.000 1.294 235 Y HN -0.249 nan 8.280 nan 0.000 0.472 236 R N 1.301 121.923 120.500 0.203 0.000 3.267 236 R HA -0.223 4.117 4.340 -0.000 0.000 0.254 236 R C -0.135 176.188 176.300 0.038 0.000 0.993 236 R CA 0.995 57.152 56.100 0.095 0.000 0.670 236 R CB -1.550 28.798 30.300 0.081 0.000 1.125 236 R HN 1.016 nan 8.270 nan 0.000 0.434 237 Q N -1.004 118.808 119.800 0.020 0.000 1.907 237 Q HA 0.151 4.491 4.340 -0.000 0.000 0.195 237 Q C 0.078 176.057 176.000 -0.034 0.000 0.742 237 Q CA 0.406 56.200 55.803 -0.015 0.000 0.877 237 Q CB 0.698 29.423 28.738 -0.022 0.000 1.216 237 Q HN 0.439 nan 8.270 nan 0.000 0.417 238 N N -1.126 117.563 118.700 -0.019 0.000 1.938 238 N HA 0.058 4.798 4.740 -0.000 0.000 0.225 238 N C 0.462 175.949 175.510 -0.038 0.000 1.400 238 N CA 0.021 53.026 53.050 -0.074 0.000 0.772 238 N CB 0.648 39.190 38.487 0.092 0.000 1.124 238 N HN -0.018 nan 8.380 nan 0.000 0.513 239 L N 2.072 123.323 121.223 0.046 0.000 2.083 239 L HA 0.097 4.437 4.340 -0.000 0.000 0.209 239 L C -1.083 175.789 176.870 0.004 0.000 1.083 239 L CA 2.106 57.000 54.840 0.091 0.000 0.752 239 L CB -0.747 41.404 42.059 0.154 0.000 0.899 239 L HN 0.007 nan 8.230 nan 0.000 0.433 240 P HA -0.093 nan 4.420 nan 0.000 0.216 240 P C 0.945 178.164 177.300 -0.135 0.000 1.150 240 P CA 1.374 64.420 63.100 -0.091 0.000 0.837 240 P CB -0.043 31.591 31.700 -0.109 0.000 0.786 241 N N -1.395 117.167 118.700 -0.231 0.000 2.424 241 N HA -0.005 4.735 4.740 -0.000 0.000 0.178 241 N C 1.392 176.855 175.510 -0.078 0.000 1.060 241 N CA 0.240 53.116 53.050 -0.289 0.000 0.901 241 N CB -0.701 37.361 38.487 -0.709 0.000 0.979 241 N HN 0.069 nan 8.380 nan 0.000 0.451 242 L N 0.035 121.283 121.223 0.042 0.000 2.313 242 L HA 0.168 4.508 4.340 -0.000 0.000 0.214 242 L C 1.922 178.833 176.870 0.067 0.000 1.119 242 L CA 1.003 55.952 54.840 0.182 0.000 0.809 242 L CB -0.299 41.892 42.059 0.220 0.000 0.933 242 L HN -0.026 nan 8.230 nan 0.000 0.449 243 M N -0.075 119.541 119.600 0.025 0.000 2.132 243 M HA -0.174 4.306 4.480 -0.000 0.000 0.263 243 M C 1.772 178.067 176.300 -0.008 0.000 1.065 243 M CA 1.851 57.162 55.300 0.018 0.000 1.122 243 M CB -0.640 31.954 32.600 -0.010 0.000 1.365 243 M HN 0.414 nan 8.290 nan 0.000 0.411 244 N N -0.594 118.076 118.700 -0.050 0.000 2.188 244 N HA -0.101 4.639 4.740 -0.000 0.000 0.184 244 N C 1.591 177.068 175.510 -0.055 0.000 1.018 244 N CA 1.489 54.498 53.050 -0.068 0.000 0.858 244 N CB -0.298 38.136 38.487 -0.087 0.000 0.989 244 N HN 0.340 nan 8.380 nan 0.000 0.426 245 L N 0.841 122.032 121.223 -0.055 0.000 2.056 245 L HA -0.042 4.298 4.340 -0.000 0.000 0.207 245 L C 2.198 178.993 176.870 -0.125 0.000 1.078 245 L CA 0.928 55.715 54.840 -0.089 0.000 0.749 245 L CB -0.572 41.427 42.059 -0.099 0.000 0.901 245 L HN 0.316 nan 8.230 nan 0.000 0.433 246 I N -3.065 117.433 120.570 -0.120 0.000 2.928 246 I HA 0.004 4.174 4.170 -0.000 0.000 0.266 246 I C 2.550 178.506 176.117 -0.268 0.000 1.234 246 I CA 0.892 62.031 61.300 -0.269 0.000 1.483 246 I CB -0.504 37.342 38.000 -0.257 0.000 1.097 246 I HN 0.024 nan 8.210 nan 0.000 0.455 247 A N 2.017 124.849 122.820 0.019 0.000 1.902 247 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 247 A C 2.365 180.021 177.584 0.120 0.000 1.181 247 A CA 2.576 54.725 52.037 0.186 0.000 0.623 247 A CB -1.281 17.765 19.000 0.077 0.000 0.818 247 A HN 0.518 nan 8.150 nan 0.000 0.443 248 T N 0.184 114.733 114.554 -0.009 0.000 2.821 248 T HA -0.024 4.326 4.350 -0.000 0.000 0.267 248 T C 1.779 176.451 174.700 -0.046 0.000 1.046 248 T CA 1.352 63.441 62.100 -0.018 0.000 1.139 248 T CB -0.369 68.464 68.868 -0.057 0.000 0.871 248 T HN 0.417 nan 8.240 nan 0.000 0.454 249 I N 0.262 120.717 120.570 -0.191 0.000 2.286 249 I HA -0.115 4.055 4.170 -0.000 0.000 0.248 249 I C 1.958 177.962 176.117 -0.188 0.000 1.115 249 I CA 1.425 62.562 61.300 -0.272 0.000 1.392 249 I CB -0.415 37.340 38.000 -0.409 0.000 1.065 249 I HN 0.192 nan 8.210 nan 0.000 0.418 250 F N 0.045 119.991 119.950 -0.007 0.000 2.134 250 F HA -0.199 4.328 4.527 -0.000 0.000 0.299 250 F C 2.474 178.265 175.800 -0.015 0.000 1.097 250 F CA 1.065 59.061 58.000 -0.007 0.000 1.264 250 F CB -0.716 38.285 39.000 0.002 0.000 1.001 250 F HN -0.189 nan 8.300 nan 0.000 0.479 251 V N -0.291 119.738 119.914 0.191 0.000 2.358 251 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 251 V C 2.057 178.163 176.094 0.020 0.000 1.047 251 V CA 1.660 64.015 62.300 0.093 0.000 1.035 251 V CB -0.833 31.041 31.823 0.085 0.000 0.658 251 V HN 0.332 nan 8.190 nan 0.000 0.452 252 F N 1.464 121.333 119.950 -0.136 0.000 2.126 252 F HA -0.238 4.289 4.527 0.000 0.000 0.299 252 F C 2.285 177.902 175.800 -0.305 0.000 1.096 252 F CA 1.784 59.662 58.000 -0.204 0.000 1.255 252 F CB -0.252 38.648 39.000 -0.168 0.000 0.997 252 F HN 0.097 nan 8.300 nan 0.000 0.479 253 A N -0.254 122.440 122.820 -0.210 0.000 1.929 253 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 253 A C 2.152 179.240 177.584 -0.828 0.000 1.176 253 A CA 1.781 53.519 52.037 -0.499 0.000 0.628 253 A CB -1.368 17.430 19.000 -0.337 0.000 0.816 253 A HN 0.427 nan 8.150 nan 0.000 0.444 254 V N -2.733 116.816 119.914 -0.609 0.000 2.788 254 V HA -0.037 4.083 4.120 -0.000 0.000 0.251 254 V C 2.149 177.689 176.094 -0.923 0.000 1.068 254 V CA 1.456 63.288 62.300 -0.780 0.000 1.090 254 V CB -0.730 30.843 31.823 -0.416 0.000 0.710 254 V HN 0.258 nan 8.190 nan 0.000 0.467 255 V N 2.513 122.105 119.914 -0.537 0.000 2.343 255 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 255 V C 2.450 178.263 176.094 -0.469 0.000 1.051 255 V CA 2.659 64.737 62.300 -0.370 0.000 1.036 255 V CB -0.292 31.372 31.823 -0.264 0.000 0.654 255 V HN 0.683 nan 8.190 nan 0.000 0.451 256 I N -2.493 117.722 120.570 -0.593 0.000 2.394 256 I HA -0.149 4.021 4.170 -0.000 0.000 0.251 256 I C 2.539 178.442 176.117 -0.357 0.000 1.136 256 I CA 1.777 62.783 61.300 -0.490 0.000 1.425 256 I CB -1.073 36.594 38.000 -0.556 0.000 1.079 256 I HN 0.262 nan 8.210 nan 0.000 0.425 257 Y N 1.447 121.327 120.300 -0.701 0.000 2.200 257 Y HA -0.104 4.446 4.550 -0.000 0.000 0.290 257 Y C 2.450 177.616 175.900 -1.224 0.000 1.137 257 Y CA 0.804 58.330 58.100 -0.957 0.000 1.163 257 Y CB -1.244 36.577 38.460 -1.065 0.000 0.988 257 Y HN 0.136 nan 8.280 nan 0.000 0.518 258 F N 0.269 119.858 119.950 -0.601 0.000 2.234 258 F HA -0.162 4.365 4.527 -0.000 0.000 0.299 258 F C 2.304 177.987 175.800 -0.195 0.000 1.087 258 F CA 0.831 58.528 58.000 -0.504 0.000 1.340 258 F CB -1.168 37.294 39.000 -0.897 0.000 1.031 258 F HN 0.118 nan 8.300 nan 0.000 0.500 259 Q N -0.323 119.450 119.800 -0.045 0.000 2.167 259 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 259 Q C 2.574 178.608 176.000 0.055 0.000 0.970 259 Q CA 1.240 57.055 55.803 0.019 0.000 0.855 259 Q CB -0.652 28.048 28.738 -0.063 0.000 0.911 259 Q HN 0.498 nan 8.270 nan 0.000 0.438 260 G N 0.248 109.036 108.800 -0.021 0.000 2.421 260 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.217 260 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.217 260 G C 0.184 175.230 174.900 0.244 0.000 1.143 260 G CA -0.045 45.083 45.100 0.047 0.000 0.784 260 G HN 0.093 nan 8.290 nan 0.000 0.541 261 F N 1.473 121.559 119.950 0.226 0.000 2.444 261 F HA 0.617 5.144 4.527 -0.000 0.000 0.360 261 F C 0.809 176.774 175.800 0.274 0.000 1.106 261 F CA -1.030 57.134 58.000 0.274 0.000 1.170 261 F CB 0.576 39.858 39.000 0.470 0.000 1.113 261 F HN -0.083 nan 8.300 nan 0.000 0.521 262 R N 0.888 121.581 120.500 0.323 0.000 2.668 262 R HA 0.598 4.938 4.340 -0.000 0.000 0.272 262 R C -1.504 174.838 176.300 0.069 0.000 1.019 262 R CA -1.087 55.120 56.100 0.178 0.000 0.894 262 R CB 2.618 32.988 30.300 0.117 0.000 1.228 262 R HN 0.316 nan 8.270 nan 0.000 0.460 263 V N 0.219 120.130 119.914 -0.004 0.000 2.353 263 V HA 0.262 4.382 4.120 -0.000 0.000 0.264 263 V C -0.025 175.992 176.094 -0.128 0.000 1.049 263 V CA -0.292 61.950 62.300 -0.096 0.000 0.896 263 V CB 0.987 32.714 31.823 -0.161 0.000 1.025 263 V HN 0.742 nan 8.190 nan 0.000 0.475 264 D N 3.065 123.400 120.400 -0.109 0.000 2.355 264 D HA 0.050 4.690 4.640 -0.000 0.000 0.233 264 D C 1.265 177.508 176.300 -0.095 0.000 0.997 264 D CA 0.432 54.374 54.000 -0.096 0.000 0.920 264 D CB 0.103 40.874 40.800 -0.049 0.000 1.063 264 D HN 0.553 nan 8.370 nan 0.000 0.465 265 L N 1.757 122.927 121.223 -0.087 0.000 3.927 265 L HA -0.159 4.181 4.340 -0.000 0.000 0.540 265 L C -2.489 174.403 176.870 0.037 0.000 1.118 265 L CA -0.035 54.770 54.840 -0.058 0.000 0.761 265 L CB -1.009 40.965 42.059 -0.141 0.000 1.212 265 L HN -0.087 nan 8.230 nan 0.000 0.771 266 P HA 0.189 nan 4.420 nan 0.000 0.271 266 P C 0.671 178.017 177.300 0.078 0.000 1.216 266 P CA 0.224 63.392 63.100 0.113 0.000 0.771 266 P CB 0.499 32.246 31.700 0.079 0.000 0.864 267 I N -0.934 119.679 120.570 0.073 0.000 3.947 267 I HA 0.310 4.480 4.170 -0.000 0.000 0.327 267 I C 0.152 176.255 176.117 -0.025 0.000 1.519 267 I CA -0.255 61.044 61.300 -0.002 0.000 1.122 267 I CB 0.232 38.197 38.000 -0.058 0.000 1.146 267 I HN -0.081 nan 8.210 nan 0.000 0.442 268 K N 2.345 122.751 120.400 0.009 0.000 2.765 268 K HA 0.386 4.706 4.320 -0.000 0.000 0.246 268 K C -0.111 176.491 176.600 0.003 0.000 1.254 268 K CA -0.108 56.179 56.287 0.001 0.000 1.219 268 K CB 0.552 33.077 32.500 0.042 0.000 1.747 268 K HN 0.193 nan 8.250 nan 0.000 0.372 269 S N 1.149 116.839 115.700 -0.016 0.000 2.537 269 S HA 0.233 4.703 4.470 -0.000 0.000 0.286 269 S C 0.452 175.018 174.600 -0.057 0.000 1.299 269 S CA -0.402 57.785 58.200 -0.022 0.000 1.067 269 S CB 0.756 63.940 63.200 -0.027 0.000 0.864 269 S HN 0.513 nan 8.310 nan 0.000 0.494 270 A N 3.310 126.085 122.820 -0.075 0.000 2.269 270 A HA 0.672 4.991 4.320 -0.000 0.000 0.319 270 A C 0.234 177.658 177.584 -0.267 0.000 1.110 270 A CA -1.013 50.908 52.037 -0.194 0.000 0.847 270 A CB 0.527 19.395 19.000 -0.221 0.000 1.161 270 A HN 0.892 nan 8.150 nan 0.000 0.497 271 R N -0.307 119.899 120.500 -0.490 0.000 2.349 271 R HA 0.559 4.899 4.340 -0.000 0.000 0.299 271 R C -1.269 174.524 176.300 -0.845 0.000 1.027 271 R CA -0.223 55.498 56.100 -0.632 0.000 0.958 271 R CB 0.045 29.852 30.300 -0.822 0.000 1.047 271 R HN 0.927 nan 8.270 nan 0.000 0.468 272 Y N 0.502 120.677 120.300 -0.208 0.000 4.629 272 Y HA -0.264 4.286 4.550 -0.000 0.000 0.247 272 Y C -0.345 175.544 175.900 -0.019 0.000 1.106 272 Y CA -0.020 58.003 58.100 -0.129 0.000 2.131 272 Y CB -1.421 36.965 38.460 -0.124 0.000 1.614 272 Y HN 0.812 nan 8.280 nan 0.000 0.714 273 R N -1.227 119.320 120.500 0.079 0.000 1.403 273 R HA -0.054 4.286 4.340 -0.000 0.000 0.455 273 R C 0.963 177.375 176.300 0.186 0.000 1.336 273 R CA 1.573 57.739 56.100 0.111 0.000 1.354 273 R CB -1.186 29.179 30.300 0.109 0.000 3.536 273 R HN 1.569 nan 8.270 nan 0.000 0.519 274 G N 1.530 110.407 108.800 0.128 0.000 2.550 274 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.277 274 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.277 274 G C -0.853 174.137 174.900 0.149 0.000 1.190 274 G CA 0.754 45.934 45.100 0.133 0.000 0.971 274 G HN 0.670 nan 8.290 nan 0.000 0.559 275 Q N -1.529 118.393 119.800 0.203 0.000 2.340 275 Q HA 0.549 4.889 4.340 -0.000 0.000 0.276 275 Q C -0.917 175.266 176.000 0.305 0.000 1.048 275 Q CA -0.613 55.308 55.803 0.197 0.000 0.832 275 Q CB 2.187 30.986 28.738 0.101 0.000 1.373 275 Q HN 0.631 nan 8.270 nan 0.000 0.409 276 Y N 0.097 120.403 120.300 0.010 0.000 2.500 276 Y HA 0.270 4.819 4.550 -0.000 0.000 0.246 276 Y C 0.638 176.548 175.900 0.017 0.000 1.146 276 Y CA 0.056 58.166 58.100 0.016 0.000 1.230 276 Y CB 1.160 39.627 38.460 0.011 0.000 1.214 276 Y HN 0.613 nan 8.280 nan 0.000 0.526 277 N N -1.226 117.560 118.700 0.144 0.000 3.614 277 N HA 0.423 5.163 4.740 -0.000 0.000 0.341 277 N C -0.931 174.627 175.510 0.079 0.000 1.567 277 N CA -0.161 52.948 53.050 0.099 0.000 0.641 277 N CB 1.768 40.315 38.487 0.099 0.000 2.734 277 N HN -0.124 nan 8.380 nan 0.000 0.604 278 T N -2.255 112.353 114.554 0.090 0.000 2.802 278 T HA 0.429 4.779 4.350 -0.000 0.000 0.311 278 T C -2.030 172.770 174.700 0.167 0.000 1.405 278 T CA -0.596 61.560 62.100 0.093 0.000 1.016 278 T CB 1.774 70.672 68.868 0.050 0.000 1.352 278 T HN 0.440 nan 8.240 nan 0.000 0.498 279 Y N 2.061 122.365 120.300 0.006 0.000 2.361 279 Y HA 0.708 5.258 4.550 0.000 0.000 0.328 279 Y C -3.073 172.825 175.900 -0.002 0.000 1.044 279 Y CA -1.706 56.396 58.100 0.003 0.000 1.085 279 Y CB 2.738 41.196 38.460 -0.004 0.000 1.194 279 Y HN 0.740 nan 8.280 nan 0.000 0.438 280 P HA 0.640 nan 4.420 nan 0.000 0.300 280 P C -1.617 175.317 177.300 -0.609 0.000 1.306 280 P CA -0.710 62.127 63.100 -0.439 0.000 1.113 280 P CB 3.241 34.822 31.700 -0.198 0.000 1.615 281 I N 0.173 120.554 120.570 -0.315 0.000 2.545 281 I HA 0.394 4.564 4.170 -0.000 0.000 0.292 281 I C 0.229 176.321 176.117 -0.042 0.000 1.040 281 I CA -0.956 60.235 61.300 -0.182 0.000 1.068 281 I CB 2.317 40.256 38.000 -0.101 0.000 1.251 281 I HN 0.021 nan 8.210 nan 0.000 0.424 282 K N 4.469 124.895 120.400 0.043 0.000 2.349 282 K HA 0.118 4.438 4.320 -0.000 0.000 0.289 282 K C 0.715 177.408 176.600 0.155 0.000 1.064 282 K CA -0.372 55.998 56.287 0.139 0.000 0.947 282 K CB 1.169 33.805 32.500 0.228 0.000 1.007 282 K HN 0.445 nan 8.250 nan 0.000 0.478 283 L N 3.292 124.599 121.223 0.141 0.000 2.027 283 L HA -0.056 4.284 4.340 -0.000 0.000 0.206 283 L C 1.013 177.864 176.870 -0.031 0.000 1.074 283 L CA 1.945 56.791 54.840 0.010 0.000 0.745 283 L CB -0.094 41.906 42.059 -0.098 0.000 0.898 283 L HN 0.626 nan 8.230 nan 0.000 0.433 284 F N -3.388 116.674 119.950 0.187 0.000 2.717 284 F HA 0.105 4.632 4.527 -0.000 0.000 0.297 284 F C 1.547 177.444 175.800 0.161 0.000 1.113 284 F CA 0.098 58.184 58.000 0.143 0.000 1.319 284 F CB -0.159 38.915 39.000 0.124 0.000 1.097 284 F HN -0.008 nan 8.300 nan 0.000 0.595 285 Y N -0.051 120.395 120.300 0.244 0.000 2.482 285 Y HA 0.024 4.574 4.550 -0.000 0.000 0.270 285 Y C 2.398 178.370 175.900 0.121 0.000 1.152 285 Y CA 0.634 58.832 58.100 0.162 0.000 1.292 285 Y CB -0.292 38.265 38.460 0.161 0.000 1.070 285 Y HN -0.021 nan 8.280 nan 0.000 0.528 286 T N -1.540 113.121 114.554 0.177 0.000 2.867 286 T HA -0.104 4.246 4.350 -0.000 0.000 0.268 286 T C 1.738 176.410 174.700 -0.046 0.000 1.057 286 T CA 1.850 64.040 62.100 0.149 0.000 1.136 286 T CB -0.141 68.865 68.868 0.230 0.000 0.874 286 T HN 0.280 nan 8.240 nan 0.000 0.466 287 S N 1.298 116.968 115.700 -0.051 0.000 2.605 287 S HA 0.123 4.593 4.470 -0.000 0.000 0.217 287 S C 1.526 175.994 174.600 -0.219 0.000 0.958 287 S CA -0.160 57.958 58.200 -0.136 0.000 0.919 287 S CB -0.230 62.964 63.200 -0.011 0.000 0.780 287 S HN 0.535 nan 8.310 nan 0.000 0.507 288 N N 3.214 121.736 118.700 -0.296 0.000 2.036 288 N HA -0.135 4.605 4.740 -0.000 0.000 0.195 288 N C 1.450 176.720 175.510 -0.400 0.000 1.037 288 N CA 1.711 54.545 53.050 -0.359 0.000 0.855 288 N CB -0.295 37.768 38.487 -0.707 0.000 1.033 288 N HN 0.231 nan 8.380 nan 0.000 0.423 289 I N 0.854 121.065 120.570 -0.598 0.000 2.226 289 I HA -0.117 4.053 4.170 -0.000 0.000 0.245 289 I C -0.628 175.140 176.117 -0.582 0.000 1.100 289 I CA 1.048 61.938 61.300 -0.683 0.000 1.374 289 I CB -2.604 34.736 38.000 -1.100 0.000 1.057 289 I HN 0.144 nan 8.210 nan 0.000 0.413 290 P HA -0.171 nan 4.420 nan 0.000 0.216 290 P C 2.008 179.219 177.300 -0.149 0.000 1.154 290 P CA 1.501 64.448 63.100 -0.254 0.000 0.865 290 P CB -0.041 31.592 31.700 -0.112 0.000 0.789 291 I N -1.887 118.604 120.570 -0.132 0.000 2.353 291 I HA -0.117 4.053 4.170 -0.000 0.000 0.248 291 I C 2.348 178.418 176.117 -0.078 0.000 1.119 291 I CA 1.099 62.369 61.300 -0.051 0.000 1.417 291 I CB -1.456 36.518 38.000 -0.044 0.000 1.078 291 I HN -0.017 nan 8.210 nan 0.000 0.421 292 I N 0.816 121.288 120.570 -0.163 0.000 2.226 292 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 292 I C 2.544 178.556 176.117 -0.174 0.000 1.100 292 I CA 1.379 62.575 61.300 -0.173 0.000 1.374 292 I CB -0.278 37.584 38.000 -0.230 0.000 1.057 292 I HN 0.132 nan 8.210 nan 0.000 0.413 293 L N -0.113 120.945 121.223 -0.274 0.000 2.156 293 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 293 L C 2.639 179.324 176.870 -0.309 0.000 1.095 293 L CA 0.858 55.473 54.840 -0.375 0.000 0.770 293 L CB -0.590 41.066 42.059 -0.672 0.000 0.914 293 L HN 0.363 nan 8.230 nan 0.000 0.439 294 Q N 0.109 119.827 119.800 -0.136 0.000 2.079 294 Q HA -0.145 4.195 4.340 -0.000 0.000 0.200 294 Q C 2.282 178.398 176.000 0.193 0.000 0.974 294 Q CA 1.744 57.654 55.803 0.178 0.000 0.840 294 Q CB 0.125 29.051 28.738 0.314 0.000 0.898 294 Q HN 0.424 nan 8.270 nan 0.000 0.430 295 S N 0.628 116.423 115.700 0.158 0.000 2.383 295 S HA -0.081 4.389 4.470 -0.000 0.000 0.227 295 S C 1.954 176.695 174.600 0.235 0.000 1.026 295 S CA 0.942 59.299 58.200 0.261 0.000 0.981 295 S CB -0.213 63.053 63.200 0.111 0.000 0.818 295 S HN 0.521 nan 8.310 nan 0.000 0.472 296 A N 1.740 124.614 122.820 0.090 0.000 1.969 296 A HA 0.020 4.340 4.320 -0.000 0.000 0.218 296 A C 2.047 179.690 177.584 0.097 0.000 1.169 296 A CA 0.896 52.976 52.037 0.070 0.000 0.635 296 A CB -0.606 18.386 19.000 -0.014 0.000 0.810 296 A HN 0.432 nan 8.150 nan 0.000 0.445 297 L N 0.242 121.519 121.223 0.090 0.000 2.017 297 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 297 L C 2.383 179.273 176.870 0.035 0.000 1.073 297 L CA 2.056 56.943 54.840 0.078 0.000 0.745 297 L CB -0.890 41.263 42.059 0.156 0.000 0.894 297 L HN 0.262 nan 8.230 nan 0.000 0.432 298 V N -0.342 119.623 119.914 0.086 0.000 2.427 298 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 298 V C 2.700 178.756 176.094 -0.065 0.000 1.051 298 V CA 1.629 63.887 62.300 -0.071 0.000 1.048 298 V CB -0.427 31.374 31.823 -0.036 0.000 0.666 298 V HN 0.425 nan 8.190 nan 0.000 0.456 299 S N 0.601 116.498 115.700 0.329 0.000 2.382 299 S HA -0.212 4.258 4.470 -0.000 0.000 0.228 299 S C 1.741 176.517 174.600 0.294 0.000 1.027 299 S CA 1.974 60.457 58.200 0.471 0.000 0.991 299 S CB -0.512 62.909 63.200 0.369 0.000 0.823 299 S HN 0.742 nan 8.310 nan 0.000 0.469 300 N N 0.996 119.765 118.700 0.116 0.000 2.331 300 N HA 0.032 4.772 4.740 -0.000 0.000 0.180 300 N C 1.561 177.039 175.510 -0.053 0.000 1.019 300 N CA 0.367 53.449 53.050 0.055 0.000 0.881 300 N CB -0.168 38.330 38.487 0.018 0.000 0.972 300 N HN 0.146 nan 8.380 nan 0.000 0.435 301 L N 0.120 121.202 121.223 -0.236 0.000 2.083 301 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 301 L C 1.272 177.922 176.870 -0.367 0.000 1.083 301 L CA 1.597 56.162 54.840 -0.459 0.000 0.752 301 L CB -0.629 41.043 42.059 -0.645 0.000 0.899 301 L HN 0.167 nan 8.230 nan 0.000 0.433 302 Y N -1.251 119.022 120.300 -0.045 0.000 2.165 302 Y HA -0.215 4.335 4.550 -0.000 0.000 0.286 302 Y C 2.534 178.465 175.900 0.052 0.000 1.155 302 Y CA 1.715 59.823 58.100 0.013 0.000 1.164 302 Y CB -1.107 37.444 38.460 0.151 0.000 0.978 302 Y HN 0.003 nan 8.280 nan 0.000 0.513 303 V N 0.942 121.006 119.914 0.250 0.000 2.379 303 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 303 V C 2.239 178.394 176.094 0.102 0.000 1.044 303 V CA 1.874 64.289 62.300 0.193 0.000 1.036 303 V CB -0.866 31.062 31.823 0.176 0.000 0.664 303 V HN 0.559 nan 8.190 nan 0.000 0.453 304 I N -1.574 119.015 120.570 0.033 0.000 2.676 304 I HA -0.082 4.088 4.170 -0.000 0.000 0.259 304 I C 2.300 178.483 176.117 0.110 0.000 1.194 304 I CA 1.391 62.707 61.300 0.027 0.000 1.473 304 I CB -0.517 37.468 38.000 -0.024 0.000 1.096 304 I HN 0.144 nan 8.210 nan 0.000 0.443 305 S N 1.195 116.955 115.700 0.100 0.000 2.355 305 S HA -0.167 4.303 4.470 -0.000 0.000 0.222 305 S C 1.994 176.694 174.600 0.167 0.000 1.031 305 S CA 1.563 59.906 58.200 0.239 0.000 0.993 305 S CB -0.327 62.970 63.200 0.163 0.000 0.859 305 S HN 0.593 nan 8.310 nan 0.000 0.453 306 Q N 0.009 119.876 119.800 0.112 0.000 2.079 306 Q HA -0.015 4.325 4.340 -0.000 0.000 0.200 306 Q C 2.203 178.259 176.000 0.094 0.000 0.974 306 Q CA 1.186 57.041 55.803 0.086 0.000 0.840 306 Q CB -0.255 28.530 28.738 0.079 0.000 0.898 306 Q HN 0.369 nan 8.270 nan 0.000 0.430 307 M N 0.714 120.374 119.600 0.100 0.000 2.132 307 M HA -0.093 4.387 4.480 -0.000 0.000 0.263 307 M C 1.807 178.192 176.300 0.141 0.000 1.065 307 M CA 1.333 56.696 55.300 0.106 0.000 1.122 307 M CB -0.269 32.378 32.600 0.078 0.000 1.365 307 M HN 0.237 nan 8.290 nan 0.000 0.411 308 L N -1.440 119.857 121.223 0.122 0.000 2.017 308 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 308 L C 2.430 179.405 176.870 0.175 0.000 1.073 308 L CA 1.812 56.741 54.840 0.148 0.000 0.745 308 L CB -0.549 41.587 42.059 0.128 0.000 0.894 308 L HN 0.448 nan 8.230 nan 0.000 0.432 309 S N -0.767 115.003 115.700 0.118 0.000 2.335 309 S HA -0.139 4.331 4.470 -0.000 0.000 0.216 309 S C 1.957 176.600 174.600 0.072 0.000 1.032 309 S CA 1.335 59.580 58.200 0.075 0.000 1.000 309 S CB -0.221 63.008 63.200 0.048 0.000 0.928 309 S HN 0.580 nan 8.310 nan 0.000 0.434 310 A N 0.591 123.454 122.820 0.072 0.000 1.975 310 A HA 0.280 4.600 4.320 -0.000 0.000 0.215 310 A C 1.852 179.477 177.584 0.068 0.000 1.170 310 A CA 0.527 52.597 52.037 0.055 0.000 0.656 310 A CB -0.100 18.926 19.000 0.044 0.000 0.821 310 A HN 0.582 nan 8.150 nan 0.000 0.449 311 R N -3.149 117.416 120.500 0.109 0.000 2.592 311 R HA 0.339 4.679 4.340 -0.000 0.000 0.439 311 R C 0.186 176.593 176.300 0.179 0.000 0.995 311 R CA -0.009 56.157 56.100 0.110 0.000 1.141 311 R CB 0.324 30.685 30.300 0.102 0.000 1.495 311 R HN 0.475 nan 8.270 nan 0.000 0.579 312 F N -0.639 119.327 119.950 0.028 0.000 2.334 312 F HA 0.410 4.937 4.527 -0.000 0.000 0.269 312 F C -0.340 175.472 175.800 0.019 0.000 0.879 312 F CA 0.261 58.279 58.000 0.030 0.000 1.102 312 F CB 1.229 40.254 39.000 0.043 0.000 1.032 312 F HN -0.294 nan 8.300 nan 0.000 0.782 313 S N 0.462 116.223 115.700 0.102 0.000 2.575 313 S HA 0.617 5.087 4.470 -0.000 0.000 0.278 313 S C -0.337 174.287 174.600 0.039 0.000 1.139 313 S CA -0.354 57.848 58.200 0.003 0.000 0.954 313 S CB 1.203 64.459 63.200 0.092 0.000 1.054 313 S HN 0.943 nan 8.310 nan 0.000 0.483 314 G N 3.717 112.516 108.800 -0.002 0.000 2.632 314 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.224 314 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.224 314 G C -0.758 174.144 174.900 0.004 0.000 1.341 314 G CA -0.709 44.392 45.100 0.001 0.000 0.880 314 G HN 0.758 nan 8.290 nan 0.000 0.566 315 N N -0.156 118.547 118.700 0.004 0.000 2.492 315 N HA 0.525 5.265 4.740 -0.000 0.000 0.260 315 N C 1.238 176.743 175.510 -0.009 0.000 1.215 315 N CA 0.216 53.265 53.050 -0.001 0.000 0.923 315 N CB 1.066 39.551 38.487 -0.004 0.000 1.092 315 N HN 0.524 nan 8.380 nan 0.000 0.448 316 L N 0.268 121.483 121.223 -0.013 0.000 2.815 316 L HA 0.405 4.745 4.340 -0.000 0.000 0.241 316 L C -0.871 175.987 176.870 -0.020 0.000 1.047 316 L CA -0.013 54.817 54.840 -0.017 0.000 0.939 316 L CB 0.493 42.541 42.059 -0.018 0.000 1.490 316 L HN 0.389 nan 8.230 nan 0.000 0.510 317 L N -1.105 120.104 121.223 -0.023 0.000 2.591 317 L HA 0.288 4.628 4.340 -0.000 0.000 0.257 317 L C 0.445 177.295 176.870 -0.034 0.000 0.935 317 L CA -0.489 54.334 54.840 -0.029 0.000 0.873 317 L CB 1.775 43.816 42.059 -0.031 0.000 1.397 317 L HN -0.055 nan 8.230 nan 0.000 0.414 318 V N 0.156 120.047 119.914 -0.038 0.000 2.379 318 V HA -0.020 4.100 4.120 -0.000 0.000 0.245 318 V C 1.920 177.978 176.094 -0.060 0.000 1.044 318 V CA 1.826 64.100 62.300 -0.044 0.000 1.036 318 V CB -0.806 30.988 31.823 -0.048 0.000 0.664 318 V HN 0.896 nan 8.190 nan 0.000 0.453 319 S N 0.039 115.702 115.700 -0.062 0.000 2.428 319 S HA -0.028 4.442 4.470 -0.000 0.000 0.230 319 S C 1.869 176.422 174.600 -0.080 0.000 1.014 319 S CA 1.508 59.665 58.200 -0.072 0.000 0.957 319 S CB -0.506 62.658 63.200 -0.060 0.000 0.784 319 S HN 0.645 nan 8.310 nan 0.000 0.499 320 L N 0.953 122.136 121.223 -0.066 0.000 2.046 320 L HA -0.014 4.326 4.340 -0.000 0.000 0.208 320 L C 2.068 178.890 176.870 -0.080 0.000 1.077 320 L CA 1.456 56.258 54.840 -0.063 0.000 0.747 320 L CB -0.266 41.766 42.059 -0.045 0.000 0.896 320 L HN 0.351 nan 8.230 nan 0.000 0.432 321 L N -0.529 120.647 121.223 -0.079 0.000 2.093 321 L HA 0.099 4.439 4.340 -0.000 0.000 0.208 321 L C 1.017 177.782 176.870 -0.175 0.000 1.085 321 L CA 0.729 55.517 54.840 -0.085 0.000 0.755 321 L CB -0.702 41.331 42.059 -0.043 0.000 0.904 321 L HN 0.454 nan 8.230 nan 0.000 0.435 322 G N -1.901 106.762 108.800 -0.228 0.000 2.411 322 G HA2 0.289 4.249 3.960 -0.000 0.000 0.295 322 G HA3 0.289 4.249 3.960 -0.000 0.000 0.295 322 G C -1.168 173.545 174.900 -0.312 0.000 1.542 322 G CA -0.663 44.197 45.100 -0.400 0.000 0.814 322 G HN -0.272 nan 8.290 nan 0.000 0.557 323 T N 1.469 115.837 114.554 -0.310 0.000 3.005 323 T HA 0.470 4.820 4.350 -0.000 0.000 0.323 323 T C 0.299 174.989 174.700 -0.017 0.000 1.131 323 T CA 0.887 62.907 62.100 -0.133 0.000 0.977 323 T CB -0.327 68.502 68.868 -0.065 0.000 1.055 323 T HN 1.431 nan 8.240 nan 0.000 0.562 324 W N 0.761 122.007 121.300 -0.090 0.000 0.587 324 W HA -0.037 4.623 4.660 -0.000 0.000 0.135 324 W C 0.504 176.960 176.519 -0.106 0.000 0.585 324 W CA 0.160 57.435 57.345 -0.117 0.000 0.208 324 W CB -0.988 28.407 29.460 -0.109 0.000 0.589 324 W HN 0.270 nan 8.180 nan 0.000 0.315 325 S N 1.186 116.963 115.700 0.128 0.000 2.575 325 S HA 0.062 4.532 4.470 -0.000 0.000 0.215 325 S C 0.107 174.700 174.600 -0.011 0.000 0.966 325 S CA 0.541 58.791 58.200 0.084 0.000 0.911 325 S CB -0.252 62.929 63.200 -0.031 0.000 0.780 325 S HN 0.254 nan 8.310 nan 0.000 0.514 326 D N 2.765 123.139 120.400 -0.044 0.000 2.382 326 D HA 0.102 4.742 4.640 -0.000 0.000 0.259 326 D C 0.002 176.242 176.300 -0.100 0.000 1.224 326 D CA 0.798 54.750 54.000 -0.079 0.000 0.894 326 D CB -0.004 40.739 40.800 -0.094 0.000 1.127 326 D HN 0.119 nan 8.370 nan 0.000 0.487 327 T N 1.632 116.131 114.554 -0.092 0.000 3.886 327 T HA -0.175 4.175 4.350 -0.000 0.000 0.371 327 T C 0.120 174.757 174.700 -0.106 0.000 0.760 327 T CA 0.502 62.538 62.100 -0.107 0.000 1.966 327 T CB -1.885 66.895 68.868 -0.146 0.000 1.793 327 T HN 0.367 nan 8.240 nan 0.000 0.798 328 S N 1.679 117.341 115.700 -0.063 0.000 2.498 328 S HA 0.532 5.002 4.470 -0.000 0.000 0.281 328 S C 0.594 175.162 174.600 -0.053 0.000 1.265 328 S CA -0.435 57.737 58.200 -0.048 0.000 1.071 328 S CB 0.807 64.007 63.200 0.001 0.000 0.894 328 S HN 0.635 nan 8.310 nan 0.000 0.491 329 S N 1.137 116.793 115.700 -0.074 0.000 2.615 329 S HA 0.545 5.014 4.470 -0.000 0.000 0.269 329 S C 0.989 175.542 174.600 -0.079 0.000 1.161 329 S CA -0.560 57.599 58.200 -0.067 0.000 0.817 329 S CB 1.430 64.584 63.200 -0.077 0.000 1.131 329 S HN 0.686 nan 8.310 nan 0.000 0.467 330 G N 0.130 108.896 108.800 -0.056 0.000 2.777 330 G HA2 0.453 4.413 3.960 -0.000 0.000 0.211 330 G HA3 0.453 4.413 3.960 -0.000 0.000 0.211 330 G C 0.932 175.823 174.900 -0.014 0.000 1.149 330 G CA 0.554 45.616 45.100 -0.064 0.000 0.785 330 G HN 1.383 nan 8.290 nan 0.000 0.536 331 G N 1.216 110.015 108.800 -0.001 0.000 2.578 331 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.284 331 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.284 331 G C -0.408 174.527 174.900 0.059 0.000 1.283 331 G CA 0.377 45.498 45.100 0.037 0.000 0.944 331 G HN 0.311 nan 8.290 nan 0.000 0.558 332 P HA 0.445 nan 4.420 nan 0.000 0.241 332 P C 0.261 177.601 177.300 0.067 0.000 1.191 332 P CA 1.935 65.075 63.100 0.068 0.000 0.771 332 P CB 0.159 31.899 31.700 0.068 0.000 0.929 333 A N -1.214 121.651 122.820 0.075 0.000 2.581 333 A HA 0.533 4.853 4.320 -0.000 0.000 0.294 333 A C -0.252 177.325 177.584 -0.011 0.000 1.035 333 A CA -0.650 51.422 52.037 0.058 0.000 0.684 333 A CB 0.633 19.652 19.000 0.032 0.000 1.282 333 A HN -0.011 nan 8.150 nan 0.000 0.417 334 R N -0.830 119.645 120.500 -0.042 0.000 3.860 334 R HA 0.005 4.345 4.340 -0.000 0.000 0.460 334 R C 0.281 176.251 176.300 -0.550 0.000 0.241 334 R CA 1.256 57.206 56.100 -0.250 0.000 1.452 334 R CB -1.334 28.786 30.300 -0.301 0.000 1.021 334 R HN 2.686 nan 8.270 nan 0.000 0.555 335 A N -0.184 122.059 122.820 -0.961 0.000 2.330 335 A HA 0.368 4.688 4.320 -0.000 0.000 0.303 335 A C -1.099 176.150 177.584 -0.558 0.000 1.150 335 A CA 0.280 51.868 52.037 -0.748 0.000 0.921 335 A CB 0.231 18.673 19.000 -0.930 0.000 1.462 335 A HN 1.167 nan 8.150 nan 0.000 0.388 336 Y N -0.227 119.945 120.300 -0.214 0.000 3.016 336 Y HA -0.147 4.403 4.550 -0.000 0.000 0.152 336 Y C -2.554 173.282 175.900 -0.106 0.000 1.832 336 Y CA 0.435 58.458 58.100 -0.128 0.000 0.998 336 Y CB -1.192 37.142 38.460 -0.210 0.000 1.507 336 Y HN 0.557 nan 8.280 nan 0.000 0.378 337 P HA 0.010 nan 4.420 nan 0.000 0.264 337 P C -0.389 176.590 177.300 -0.535 0.000 1.179 337 P CA 0.306 63.248 63.100 -0.264 0.000 0.763 337 P CB 0.652 32.262 31.700 -0.151 0.000 0.806 338 V N 3.128 122.758 119.914 -0.474 0.000 2.154 338 V HA 0.629 4.749 4.120 -0.000 0.000 0.265 338 V C 0.749 176.480 176.094 -0.604 0.000 1.293 338 V CA 0.528 62.472 62.300 -0.593 0.000 1.205 338 V CB -0.422 31.177 31.823 -0.374 0.000 1.306 338 V HN 0.976 nan 8.190 nan 0.000 0.479 339 G N 1.189 109.565 108.800 -0.707 0.000 2.333 339 G HA2 0.564 4.524 3.960 -0.000 0.000 0.330 339 G HA3 0.564 4.524 3.960 -0.000 0.000 0.330 339 G C -0.248 174.426 174.900 -0.377 0.000 1.465 339 G CA 0.169 44.938 45.100 -0.552 0.000 0.996 339 G HN 1.522 nan 8.290 nan 0.000 0.655 340 G N -1.392 107.232 108.800 -0.294 0.000 2.757 340 G HA2 0.081 4.041 3.960 -0.000 0.000 0.638 340 G HA3 0.081 4.041 3.960 -0.000 0.000 0.638 340 G C 1.002 175.778 174.900 -0.207 0.000 1.344 340 G CA 0.141 45.153 45.100 -0.147 0.000 0.855 340 G HN 1.520 nan 8.290 nan 0.000 0.537 341 L N -0.548 120.670 121.223 -0.007 0.000 2.093 341 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 341 L C 3.259 180.016 176.870 -0.187 0.000 1.085 341 L CA 1.823 56.652 54.840 -0.018 0.000 0.755 341 L CB -0.720 41.331 42.059 -0.014 0.000 0.904 341 L HN 0.742 nan 8.230 nan 0.000 0.435 342 C N -0.488 118.714 119.300 -0.164 0.000 2.425 342 C HA -0.238 4.222 4.460 -0.000 0.000 0.277 342 C C 2.836 177.701 174.990 -0.208 0.000 1.280 342 C CA 1.250 60.124 59.018 -0.239 0.000 1.744 342 C CB -0.780 26.860 27.740 -0.166 0.000 1.989 342 C HN 0.634 nan 8.230 nan 0.000 0.491 343 H N -1.140 117.689 119.070 -0.402 0.000 2.353 343 H HA -0.152 4.404 4.556 -0.000 0.000 0.300 343 H C 1.826 176.993 175.328 -0.270 0.000 1.090 343 H CA 2.596 58.384 56.048 -0.434 0.000 1.327 343 H CB -0.472 28.862 29.762 -0.712 0.000 1.383 343 H HN 0.623 nan 8.280 nan 0.000 0.508 344 Y N 0.055 120.208 120.300 -0.245 0.000 2.314 344 Y HA -0.009 4.541 4.550 -0.000 0.000 0.293 344 Y C 1.956 177.293 175.900 -0.939 0.000 1.129 344 Y CA 0.722 58.472 58.100 -0.584 0.000 1.201 344 Y CB -0.225 37.993 38.460 -0.403 0.000 0.999 344 Y HN 0.183 nan 8.280 nan 0.000 0.541 345 L N -0.752 120.085 121.223 -0.644 0.000 2.645 345 L HA 0.172 4.512 4.340 -0.000 0.000 0.234 345 L C 0.642 176.898 176.870 -1.022 0.000 1.165 345 L CA 0.035 54.380 54.840 -0.825 0.000 0.944 345 L CB -0.216 41.575 42.059 -0.448 0.000 1.149 345 L HN -0.034 nan 8.230 nan 0.000 0.446 346 S N -0.747 114.390 115.700 -0.939 0.000 2.599 346 S HA 0.606 5.076 4.470 -0.000 0.000 0.294 346 S C -2.540 171.782 174.600 -0.464 0.000 1.094 346 S CA -1.532 56.303 58.200 -0.609 0.000 0.931 346 S CB 1.914 65.026 63.200 -0.147 0.000 1.093 346 S HN -0.189 nan 8.310 nan 0.000 0.488 347 P HA 0.143 nan 4.420 nan 0.000 0.270 347 P C -2.069 175.122 177.300 -0.182 0.000 1.221 347 P CA -0.874 62.196 63.100 -0.051 0.000 0.788 347 P CB 0.046 31.509 31.700 -0.395 0.000 0.904 348 P HA -0.073 nan 4.420 nan 0.000 0.245 348 P C -0.250 176.841 177.300 -0.348 0.000 1.212 348 P CA 0.904 63.718 63.100 -0.477 0.000 0.774 348 P CB -0.127 31.347 31.700 -0.376 0.000 0.999 349 E N -1.104 118.842 120.200 -0.424 0.000 3.016 349 E HA -0.087 4.263 4.350 -0.000 0.000 0.310 349 E C 0.367 176.821 176.600 -0.243 0.000 0.923 349 E CA 1.066 57.225 56.400 -0.400 0.000 1.013 349 E CB -2.681 26.835 29.700 -0.306 0.000 1.490 349 E HN 0.562 nan 8.360 nan 0.000 0.403 350 S N -1.670 113.891 115.700 -0.231 0.000 2.648 350 S HA 0.275 4.745 4.470 -0.000 0.000 0.270 350 S C 0.488 175.173 174.600 0.141 0.000 1.034 350 S CA 0.086 58.275 58.200 -0.018 0.000 1.376 350 S CB -0.243 62.949 63.200 -0.013 0.000 1.227 350 S HN 0.248 nan 8.310 nan 0.000 0.676 351 F N 2.280 122.286 119.950 0.093 0.000 3.040 351 F HA 0.014 4.541 4.527 -0.000 0.000 0.298 351 F C 1.431 177.354 175.800 0.205 0.000 0.948 351 F CA 1.032 59.128 58.000 0.160 0.000 1.022 351 F CB -1.723 37.343 39.000 0.109 0.000 1.023 351 F HN 0.868 nan 8.300 nan 0.000 0.742 352 G N -1.410 107.578 108.800 0.313 0.000 2.157 352 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.248 352 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.248 352 G C 0.958 175.891 174.900 0.054 0.000 0.979 352 G CA 0.477 45.699 45.100 0.202 0.000 0.650 352 G HN 0.593 nan 8.290 nan 0.000 0.529 353 S N -1.113 114.628 115.700 0.069 0.000 2.496 353 S HA 0.319 4.789 4.470 -0.000 0.000 0.224 353 S C 0.803 175.397 174.600 -0.010 0.000 0.996 353 S CA 0.972 59.189 58.200 0.028 0.000 0.927 353 S CB 0.624 63.851 63.200 0.044 0.000 0.774 353 S HN 0.637 nan 8.310 nan 0.000 0.524 354 V N 2.080 121.978 119.914 -0.027 0.000 2.407 354 V HA 0.415 4.535 4.120 -0.000 0.000 0.291 354 V C -0.054 175.991 176.094 -0.082 0.000 1.018 354 V CA -0.302 61.970 62.300 -0.047 0.000 0.842 354 V CB 1.486 33.283 31.823 -0.043 0.000 0.996 354 V HN 0.256 nan 8.190 nan 0.000 0.426 355 L N 3.054 124.217 121.223 -0.099 0.000 3.184 355 L HA 0.377 4.717 4.340 -0.000 0.000 0.283 355 L C 0.696 177.523 176.870 -0.071 0.000 1.218 355 L CA 0.102 54.859 54.840 -0.139 0.000 1.028 355 L CB 0.774 42.683 42.059 -0.250 0.000 1.400 355 L HN 0.549 nan 8.230 nan 0.000 0.591 356 E N 0.721 120.897 120.200 -0.041 0.000 2.364 356 E HA 0.079 4.429 4.350 -0.000 0.000 0.270 356 E C 0.060 176.663 176.600 0.004 0.000 1.398 356 E CA 0.048 56.438 56.400 -0.018 0.000 1.721 356 E CB 0.216 29.906 29.700 -0.017 0.000 1.525 356 E HN 0.301 nan 8.360 nan 0.000 0.446 357 D N 0.351 120.767 120.400 0.026 0.000 2.234 357 D HA -0.047 4.593 4.640 -0.000 0.000 0.205 357 D C -0.671 175.673 176.300 0.074 0.000 0.962 357 D CA 0.462 54.502 54.000 0.066 0.000 0.855 357 D CB -0.521 40.360 40.800 0.135 0.000 0.951 357 D HN 0.281 nan 8.370 nan 0.000 0.500 358 P HA -0.035 nan 4.420 nan 0.000 0.221 358 P C 1.764 179.107 177.300 0.073 0.000 1.150 358 P CA 0.385 63.513 63.100 0.047 0.000 0.800 358 P CB 0.152 31.866 31.700 0.025 0.000 0.787 359 V N -0.558 119.414 119.914 0.096 0.000 2.407 359 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 359 V C 2.439 178.582 176.094 0.081 0.000 1.055 359 V CA 2.083 64.424 62.300 0.068 0.000 1.049 359 V CB -1.370 30.503 31.823 0.083 0.000 0.662 359 V HN 0.230 nan 8.190 nan 0.000 0.455 360 H N 0.996 120.152 119.070 0.144 0.000 2.319 360 H HA -0.151 4.405 4.556 -0.000 0.000 0.299 360 H C 2.162 177.603 175.328 0.189 0.000 1.092 360 H CA 2.110 58.312 56.048 0.257 0.000 1.302 360 H CB -0.197 29.704 29.762 0.231 0.000 1.373 360 H HN 0.358 nan 8.280 nan 0.000 0.497 361 A N -0.036 122.912 122.820 0.214 0.000 1.930 361 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 361 A C 2.648 180.313 177.584 0.135 0.000 1.175 361 A CA 1.599 53.757 52.037 0.202 0.000 0.627 361 A CB -0.820 18.211 19.000 0.052 0.000 0.815 361 A HN 0.337 nan 8.150 nan 0.000 0.443 362 V N -0.352 119.588 119.914 0.043 0.000 2.295 362 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 362 V C 2.520 178.609 176.094 -0.008 0.000 1.049 362 V CA 2.008 64.315 62.300 0.011 0.000 1.024 362 V CB -1.010 30.798 31.823 -0.025 0.000 0.648 362 V HN 0.352 nan 8.190 nan 0.000 0.447 363 V N -1.039 118.806 119.914 -0.115 0.000 2.358 363 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 363 V C 2.298 178.409 176.094 0.029 0.000 1.047 363 V CA 2.045 64.241 62.300 -0.173 0.000 1.035 363 V CB -0.838 30.605 31.823 -0.633 0.000 0.658 363 V HN 0.571 nan 8.190 nan 0.000 0.452 364 Y N 0.678 120.915 120.300 -0.106 0.000 2.145 364 Y HA -0.192 4.358 4.550 -0.000 0.000 0.286 364 Y C 2.301 178.228 175.900 0.046 0.000 1.145 364 Y CA 1.333 59.407 58.100 -0.043 0.000 1.148 364 Y CB -0.513 37.908 38.460 -0.065 0.000 0.981 364 Y HN 0.199 nan 8.280 nan 0.000 0.507 365 I N -1.264 119.403 120.570 0.161 0.000 2.179 365 I HA -0.292 3.878 4.170 -0.000 0.000 0.242 365 I C 2.275 178.435 176.117 0.072 0.000 1.088 365 I CA 1.299 62.629 61.300 0.050 0.000 1.357 365 I CB -0.497 37.543 38.000 0.067 0.000 1.051 365 I HN -0.044 nan 8.210 nan 0.000 0.409 366 V N 0.023 119.995 119.914 0.097 0.000 2.453 366 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 366 V C 2.194 178.348 176.094 0.101 0.000 1.048 366 V CA 1.605 63.949 62.300 0.073 0.000 1.049 366 V CB -0.633 31.223 31.823 0.056 0.000 0.672 366 V HN 0.312 nan 8.190 nan 0.000 0.457 367 F N -0.089 119.872 119.950 0.019 0.000 2.146 367 F HA -0.162 4.365 4.527 0.000 0.000 0.298 367 F C 2.452 178.275 175.800 0.038 0.000 1.096 367 F CA 1.647 59.661 58.000 0.023 0.000 1.275 367 F CB -0.049 38.975 39.000 0.039 0.000 1.008 367 F HN 0.012 nan 8.300 nan 0.000 0.480 368 M N -0.283 119.490 119.600 0.287 0.000 2.175 368 M HA -0.172 4.308 4.480 -0.000 0.000 0.264 368 M C 2.392 178.736 176.300 0.073 0.000 1.063 368 M CA 1.353 56.772 55.300 0.198 0.000 1.119 368 M CB -1.358 31.345 32.600 0.172 0.000 1.377 368 M HN 0.364 nan 8.290 nan 0.000 0.415 369 L N 0.112 121.353 121.223 0.030 0.000 2.046 369 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 369 L C 2.248 179.093 176.870 -0.041 0.000 1.077 369 L CA 1.795 56.627 54.840 -0.013 0.000 0.747 369 L CB -0.696 41.352 42.059 -0.018 0.000 0.896 369 L HN 0.310 nan 8.230 nan 0.000 0.432 370 G N -1.633 107.116 108.800 -0.085 0.000 2.430 370 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.216 370 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.216 370 G C 1.535 176.345 174.900 -0.150 0.000 1.146 370 G CA 0.655 45.674 45.100 -0.136 0.000 0.793 370 G HN 0.444 nan 8.290 nan 0.000 0.537 371 S N -0.209 115.391 115.700 -0.165 0.000 2.387 371 S HA -0.122 4.348 4.470 -0.000 0.000 0.226 371 S C 2.408 176.980 174.600 -0.046 0.000 1.026 371 S CA 1.013 59.129 58.200 -0.141 0.000 0.972 371 S CB -0.362 62.817 63.200 -0.035 0.000 0.814 371 S HN 0.501 nan 8.310 nan 0.000 0.477 372 C N 1.729 121.067 119.300 0.063 0.000 2.446 372 C HA 0.089 4.549 4.460 -0.000 0.000 0.277 372 C C 3.033 178.063 174.990 0.066 0.000 1.275 372 C CA 0.492 59.589 59.018 0.131 0.000 1.727 372 C CB -1.427 26.361 27.740 0.079 0.000 2.010 372 C HN 0.670 nan 8.230 nan 0.000 0.486 373 A N -0.245 122.582 122.820 0.012 0.000 2.015 373 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 373 A C 1.866 179.458 177.584 0.015 0.000 1.163 373 A CA 1.207 53.249 52.037 0.008 0.000 0.646 373 A CB -0.718 18.278 19.000 -0.008 0.000 0.806 373 A HN 0.551 nan 8.150 nan 0.000 0.448 374 F N 0.037 119.865 119.950 -0.202 0.000 2.134 374 F HA -0.104 4.423 4.527 -0.000 0.000 0.299 374 F C 1.666 177.327 175.800 -0.231 0.000 1.097 374 F CA 1.223 59.051 58.000 -0.287 0.000 1.264 374 F CB -0.574 38.132 39.000 -0.491 0.000 1.001 374 F HN 0.229 nan 8.300 nan 0.000 0.479 375 F N -0.318 119.463 119.950 -0.281 0.000 2.456 375 F HA -0.076 4.451 4.527 -0.000 0.000 0.298 375 F C 2.459 178.169 175.800 -0.150 0.000 1.104 375 F CA 0.774 58.572 58.000 -0.337 0.000 1.435 375 F CB -0.548 38.330 39.000 -0.203 0.000 1.078 375 F HN -0.116 nan 8.300 nan 0.000 0.546 376 S N 0.162 115.902 115.700 0.068 0.000 2.383 376 S HA -0.135 4.335 4.470 -0.000 0.000 0.227 376 S C 1.832 176.509 174.600 0.130 0.000 1.026 376 S CA 1.003 59.263 58.200 0.101 0.000 0.981 376 S CB -0.166 63.074 63.200 0.065 0.000 0.818 376 S HN 0.353 nan 8.310 nan 0.000 0.472 377 K N 0.903 121.330 120.400 0.045 0.000 2.228 377 K HA -0.014 4.306 4.320 -0.000 0.000 0.202 377 K C 2.213 178.829 176.600 0.027 0.000 1.051 377 K CA 1.487 57.800 56.287 0.044 0.000 0.960 377 K CB -0.258 32.267 32.500 0.043 0.000 0.743 377 K HN 0.519 nan 8.250 nan 0.000 0.458 378 T N -2.010 112.519 114.554 -0.042 0.000 3.081 378 T HA -0.085 4.265 4.350 -0.000 0.000 0.255 378 T C 1.433 176.192 174.700 0.098 0.000 1.113 378 T CA -0.186 61.895 62.100 -0.033 0.000 1.082 378 T CB -0.219 68.537 68.868 -0.186 0.000 0.939 378 T HN 0.406 nan 8.240 nan 0.000 0.506 379 W N 1.888 123.158 121.300 -0.049 0.000 2.467 379 W HA 0.038 4.698 4.660 0.000 0.000 0.275 379 W C 1.402 177.918 176.519 -0.005 0.000 1.239 379 W CA 0.160 57.492 57.345 -0.021 0.000 1.266 379 W CB -0.069 29.384 29.460 -0.012 0.000 1.112 379 W HN 0.251 nan 8.180 nan 0.000 0.576 380 I N 0.896 121.492 120.570 0.043 0.000 2.226 380 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 380 I C 2.185 178.237 176.117 -0.109 0.000 1.100 380 I CA 1.503 62.778 61.300 -0.042 0.000 1.374 380 I CB -0.693 37.322 38.000 0.026 0.000 1.057 380 I HN -0.031 nan 8.210 nan 0.000 0.413 381 E N 0.625 120.782 120.200 -0.073 0.000 2.005 381 E HA -0.195 4.155 4.350 -0.000 0.000 0.198 381 E C 1.439 177.989 176.600 -0.084 0.000 1.010 381 E CA 2.240 58.608 56.400 -0.054 0.000 0.825 381 E CB -0.009 29.681 29.700 -0.017 0.000 0.769 381 E HN 0.517 nan 8.360 nan 0.000 0.456 382 V N -2.848 116.995 119.914 -0.118 0.000 3.699 382 V HA 0.209 4.329 4.120 -0.000 0.000 0.323 382 V C 0.681 176.670 176.094 -0.176 0.000 1.574 382 V CA 0.297 62.530 62.300 -0.112 0.000 1.240 382 V CB 0.531 32.330 31.823 -0.041 0.000 1.014 382 V HN 0.214 nan 8.190 nan 0.000 0.469 383 S N -0.927 114.580 115.700 -0.321 0.000 2.578 383 S HA 0.773 5.243 4.470 -0.000 0.000 0.228 383 S C 0.818 174.766 174.600 -1.087 0.000 1.022 383 S CA 0.520 58.435 58.200 -0.475 0.000 0.967 383 S CB 1.326 64.355 63.200 -0.284 0.000 0.914 383 S HN 1.295 nan 8.310 nan 0.000 0.515 384 G N 0.844 108.993 108.800 -1.085 0.000 2.726 384 G HA2 0.509 4.469 3.960 -0.000 0.000 0.198 384 G HA3 0.509 4.469 3.960 -0.000 0.000 0.198 384 G C -1.536 173.005 174.900 -0.598 0.000 1.195 384 G CA -0.517 43.753 45.100 -1.382 0.000 0.951 384 G HN 0.156 nan 8.290 nan 0.000 0.532 385 S N 0.583 116.050 115.700 -0.389 0.000 2.452 385 S HA 0.669 5.139 4.470 -0.000 0.000 0.284 385 S C 0.045 174.620 174.600 -0.043 0.000 1.171 385 S CA -0.161 57.992 58.200 -0.078 0.000 1.064 385 S CB 0.986 64.245 63.200 0.098 0.000 0.967 385 S HN 1.113 nan 8.310 nan 0.000 0.484 386 S N 1.497 117.181 115.700 -0.026 0.000 2.661 386 S HA 0.760 5.230 4.470 -0.000 0.000 0.285 386 S C 0.663 175.273 174.600 0.018 0.000 1.138 386 S CA -0.546 57.652 58.200 -0.004 0.000 0.855 386 S CB 1.375 64.559 63.200 -0.027 0.000 1.136 386 S HN 0.588 nan 8.310 nan 0.000 0.484 387 A N 0.995 123.829 122.820 0.023 0.000 2.066 387 A HA 0.011 4.330 4.320 -0.000 0.000 0.218 387 A C 1.973 179.562 177.584 0.008 0.000 1.157 387 A CA 1.249 53.300 52.037 0.024 0.000 0.670 387 A CB -0.796 18.213 19.000 0.015 0.000 0.804 387 A HN 0.919 nan 8.150 nan 0.000 0.453 388 K N -0.376 120.025 120.400 0.002 0.000 2.097 388 K HA -0.112 4.208 4.320 -0.000 0.000 0.205 388 K C 0.937 177.535 176.600 -0.003 0.000 1.050 388 K CA 1.392 57.678 56.287 -0.002 0.000 0.938 388 K CB -0.357 32.141 32.500 -0.004 0.000 0.718 388 K HN 0.308 nan 8.250 nan 0.000 0.442 389 D N 1.339 121.737 120.400 -0.003 0.000 2.117 389 D HA -0.105 4.535 4.640 -0.000 0.000 0.198 389 D C 2.104 178.408 176.300 0.007 0.000 0.982 389 D CA 1.300 55.299 54.000 -0.000 0.000 0.828 389 D CB 0.049 40.847 40.800 -0.002 0.000 0.967 389 D HN 0.060 nan 8.370 nan 0.000 0.464 390 V N 1.658 121.580 119.914 0.014 0.000 2.515 390 V HA -0.183 3.937 4.120 -0.000 0.000 0.250 390 V C 2.529 178.607 176.094 -0.028 0.000 1.058 390 V CA 1.450 63.757 62.300 0.011 0.000 1.064 390 V CB -0.527 31.323 31.823 0.044 0.000 0.675 390 V HN 0.144 nan 8.190 nan 0.000 0.461 391 A N 0.120 122.926 122.820 -0.023 0.000 1.902 391 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 391 A C 2.287 179.855 177.584 -0.028 0.000 1.181 391 A CA 1.974 53.993 52.037 -0.031 0.000 0.623 391 A CB -0.384 18.607 19.000 -0.015 0.000 0.818 391 A HN 0.544 nan 8.150 nan 0.000 0.443 392 K N -0.543 119.848 120.400 -0.016 0.000 2.097 392 K HA -0.141 4.179 4.320 -0.000 0.000 0.205 392 K C 2.296 178.887 176.600 -0.014 0.000 1.050 392 K CA 1.505 57.785 56.287 -0.012 0.000 0.938 392 K CB -0.189 32.308 32.500 -0.006 0.000 0.718 392 K HN 0.611 nan 8.250 nan 0.000 0.442 393 Q N 0.621 120.414 119.800 -0.012 0.000 2.084 393 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 393 Q C 2.008 177.992 176.000 -0.028 0.000 0.978 393 Q CA 1.157 56.956 55.803 -0.007 0.000 0.844 393 Q CB -0.065 28.680 28.738 0.010 0.000 0.898 393 Q HN 0.286 nan 8.270 nan 0.000 0.426 394 L N 0.307 121.494 121.223 -0.059 0.000 2.395 394 L HA -0.100 4.240 4.340 -0.000 0.000 0.218 394 L C 2.091 178.926 176.870 -0.059 0.000 1.130 394 L CA 0.472 55.259 54.840 -0.088 0.000 0.826 394 L CB -0.124 41.850 42.059 -0.141 0.000 0.941 394 L HN 0.051 nan 8.230 nan 0.000 0.451 395 K N 0.385 120.761 120.400 -0.040 0.000 2.103 395 K HA -0.095 4.225 4.320 -0.000 0.000 0.204 395 K C 1.854 178.437 176.600 -0.029 0.000 1.052 395 K CA 1.026 57.294 56.287 -0.032 0.000 0.945 395 K CB -0.054 32.431 32.500 -0.024 0.000 0.722 395 K HN 0.410 nan 8.250 nan 0.000 0.443 396 E N 0.992 121.179 120.200 -0.022 0.000 2.051 396 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 396 E C 2.161 178.751 176.600 -0.016 0.000 0.991 396 E CA 1.102 57.493 56.400 -0.014 0.000 0.799 396 E CB 0.000 29.698 29.700 -0.004 0.000 0.748 396 E HN 0.364 nan 8.360 nan 0.000 0.449 397 Q N 0.016 119.804 119.800 -0.019 0.000 2.083 397 Q HA -0.105 4.235 4.340 -0.000 0.000 0.198 397 Q C 0.488 176.467 176.000 -0.035 0.000 0.969 397 Q CA 0.882 56.673 55.803 -0.020 0.000 0.838 397 Q CB 0.179 28.906 28.738 -0.019 0.000 0.900 397 Q HN 0.235 nan 8.270 nan 0.000 0.436 398 Q N -1.946 117.828 119.800 -0.043 0.000 2.459 398 Q HA -0.183 4.157 4.340 -0.000 0.000 0.244 398 Q C -0.445 175.521 176.000 -0.056 0.000 0.737 398 Q CA 0.538 56.311 55.803 -0.049 0.000 1.243 398 Q CB -1.763 26.942 28.738 -0.056 0.000 1.302 398 Q HN 0.463 nan 8.270 nan 0.000 0.740 399 M N -1.495 118.069 119.600 -0.061 0.000 2.537 399 M HA -0.202 4.278 4.480 -0.000 0.000 0.205 399 M C 0.265 176.529 176.300 -0.061 0.000 0.450 399 M CA 0.982 56.240 55.300 -0.069 0.000 0.553 399 M CB -1.609 30.947 32.600 -0.073 0.000 2.046 399 M HN 0.399 nan 8.290 nan 0.000 0.797 400 V N 0.590 120.468 119.914 -0.060 0.000 5.616 400 V HA -0.286 3.834 4.120 -0.000 0.000 0.301 400 V C 0.643 176.642 176.094 -0.157 0.000 0.564 400 V CA 1.730 63.977 62.300 -0.088 0.000 0.653 400 V CB -0.633 31.163 31.823 -0.046 0.000 0.372 400 V HN 0.831 nan 8.190 nan 0.000 1.029 401 M N -0.273 119.246 119.600 -0.136 0.000 2.752 401 M HA -0.164 4.316 4.480 -0.000 0.000 0.186 401 M C 0.674 176.902 176.300 -0.120 0.000 1.019 401 M CA 1.799 57.008 55.300 -0.152 0.000 0.653 401 M CB -2.085 30.369 32.600 -0.243 0.000 1.267 401 M HN 1.018 nan 8.290 nan 0.000 0.816 402 R N -0.867 119.597 120.500 -0.061 0.000 2.492 402 R HA 0.135 4.475 4.340 -0.000 0.000 0.272 402 R C 1.305 177.608 176.300 0.005 0.000 0.965 402 R CA 0.987 57.076 56.100 -0.018 0.000 1.093 402 R CB -0.208 30.111 30.300 0.031 0.000 0.868 402 R HN 0.475 nan 8.270 nan 0.000 0.425 403 G N 0.778 109.569 108.800 -0.015 0.000 2.433 403 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.216 403 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.216 403 G C 0.172 175.047 174.900 -0.043 0.000 1.186 403 G CA 1.043 46.125 45.100 -0.029 0.000 0.779 403 G HN 1.028 nan 8.290 nan 0.000 0.543 404 H N 0.108 119.159 119.070 -0.032 0.000 3.905 404 H HA -0.152 4.404 4.556 -0.000 0.000 0.316 404 H C -0.458 174.860 175.328 -0.018 0.000 0.831 404 H CA 1.220 57.252 56.048 -0.027 0.000 0.929 404 H CB -0.954 28.788 29.762 -0.034 0.000 1.374 404 H HN 0.773 nan 8.280 nan 0.000 0.337 405 R N 3.207 123.077 120.500 -1.051 0.000 3.170 405 R HA 0.353 4.693 4.340 -0.000 0.000 0.257 405 R C -1.770 174.352 176.300 -0.297 0.000 1.139 405 R CA -1.041 54.767 56.100 -0.488 0.000 1.158 405 R CB 1.316 31.475 30.300 -0.236 0.000 1.269 405 R HN 0.213 nan 8.270 nan 0.000 0.459 406 E N 1.772 121.881 120.200 -0.151 0.000 2.238 406 E HA 0.374 4.724 4.350 -0.000 0.000 0.267 406 E C -0.939 175.644 176.600 -0.029 0.000 0.887 406 E CA -0.910 55.458 56.400 -0.054 0.000 0.769 406 E CB 2.574 32.297 29.700 0.039 0.000 1.187 406 E HN 0.534 nan 8.360 nan 0.000 0.416 407 T N 1.495 116.037 114.554 -0.021 0.000 3.250 407 T HA 0.297 4.647 4.350 -0.000 0.000 0.391 407 T C 0.286 174.992 174.700 0.010 0.000 1.502 407 T CA -0.052 62.048 62.100 0.000 0.000 1.320 407 T CB 0.052 68.930 68.868 0.016 0.000 1.102 407 T HN 0.238 nan 8.240 nan 0.000 0.610 408 S N 2.611 118.321 115.700 0.016 0.000 2.619 408 S HA 0.159 4.629 4.470 -0.000 0.000 0.238 408 S C 2.072 176.710 174.600 0.063 0.000 1.068 408 S CA -0.381 57.862 58.200 0.072 0.000 0.926 408 S CB 0.122 63.349 63.200 0.044 0.000 0.864 408 S HN 0.463 nan 8.310 nan 0.000 0.493 409 M N 2.069 121.671 119.600 0.002 0.000 2.117 409 M HA -0.060 4.420 4.480 -0.000 0.000 0.262 409 M C 2.342 178.649 176.300 0.012 0.000 1.065 409 M CA 1.425 56.718 55.300 -0.011 0.000 1.114 409 M CB -1.227 31.344 32.600 -0.048 0.000 1.361 409 M HN 0.389 nan 8.290 nan 0.000 0.408 410 V N -2.669 117.267 119.914 0.036 0.000 2.453 410 V HA -0.216 3.904 4.120 -0.000 0.000 0.247 410 V C 2.249 178.376 176.094 0.054 0.000 1.048 410 V CA 2.188 64.513 62.300 0.041 0.000 1.049 410 V CB -1.475 30.380 31.823 0.052 0.000 0.672 410 V HN 0.410 nan 8.190 nan 0.000 0.457 411 H N 0.947 120.018 119.070 0.002 0.000 2.423 411 H HA -0.008 4.548 4.556 -0.000 0.000 0.297 411 H C 2.182 177.521 175.328 0.020 0.000 1.075 411 H CA 2.093 58.146 56.048 0.009 0.000 1.342 411 H CB -0.129 29.636 29.762 0.005 0.000 1.395 411 H HN 0.578 nan 8.280 nan 0.000 0.530 412 E N -0.104 120.070 120.200 -0.043 0.000 2.110 412 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 412 E C 2.174 178.736 176.600 -0.063 0.000 0.988 412 E CA 1.192 57.563 56.400 -0.049 0.000 0.804 412 E CB 0.010 29.714 29.700 0.006 0.000 0.745 412 E HN 0.487 nan 8.360 nan 0.000 0.458 413 L N 1.637 122.827 121.223 -0.057 0.000 2.027 413 L HA -0.205 4.135 4.340 -0.000 0.000 0.206 413 L C 2.386 179.238 176.870 -0.030 0.000 1.074 413 L CA 1.339 56.163 54.840 -0.027 0.000 0.745 413 L CB -0.884 41.159 42.059 -0.027 0.000 0.898 413 L HN 0.299 nan 8.230 nan 0.000 0.433 414 N N 1.388 120.030 118.700 -0.096 0.000 2.188 414 N HA -0.230 4.510 4.740 -0.000 0.000 0.184 414 N C 1.915 177.369 175.510 -0.093 0.000 1.018 414 N CA 1.396 54.395 53.050 -0.085 0.000 0.858 414 N CB -0.346 38.093 38.487 -0.081 0.000 0.989 414 N HN 0.493 nan 8.380 nan 0.000 0.426 415 R N -0.607 119.783 120.500 -0.183 0.000 2.075 415 R HA -0.101 4.239 4.340 -0.000 0.000 0.232 415 R C 1.874 178.148 176.300 -0.044 0.000 1.126 415 R CA 0.954 56.971 56.100 -0.138 0.000 0.963 415 R CB -0.940 29.237 30.300 -0.205 0.000 0.858 415 R HN 0.174 nan 8.270 nan 0.000 0.435 416 Y N 1.376 121.632 120.300 -0.074 0.000 2.337 416 Y HA 0.049 4.599 4.550 -0.000 0.000 0.293 416 Y C 2.159 178.046 175.900 -0.022 0.000 1.123 416 Y CA 0.702 58.776 58.100 -0.042 0.000 1.201 416 Y CB 0.199 38.641 38.460 -0.031 0.000 1.011 416 Y HN -0.047 nan 8.280 nan 0.000 0.545 417 I N 0.815 121.486 120.570 0.167 0.000 2.208 417 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 417 I C -0.490 175.678 176.117 0.086 0.000 1.097 417 I CA 1.448 62.833 61.300 0.141 0.000 1.363 417 I CB -2.294 35.766 38.000 0.099 0.000 1.051 417 I HN 0.187 nan 8.210 nan 0.000 0.413 418 P HA -0.105 nan 4.420 nan 0.000 0.217 418 P C 1.802 179.106 177.300 0.006 0.000 1.150 418 P CA 1.783 64.897 63.100 0.023 0.000 0.832 418 P CB -0.218 31.484 31.700 0.003 0.000 0.787 419 T N -2.642 111.874 114.554 -0.062 0.000 2.821 419 T HA -0.061 4.289 4.350 -0.000 0.000 0.267 419 T C 1.928 176.597 174.700 -0.051 0.000 1.046 419 T CA 1.243 63.272 62.100 -0.119 0.000 1.139 419 T CB -1.135 67.549 68.868 -0.308 0.000 0.871 419 T HN -0.014 nan 8.240 nan 0.000 0.454 420 A N 1.859 124.685 122.820 0.010 0.000 1.898 420 A HA 0.410 4.730 4.320 -0.000 0.000 0.216 420 A C 2.829 180.483 177.584 0.118 0.000 1.181 420 A CA 1.748 53.853 52.037 0.113 0.000 0.620 420 A CB -1.381 17.762 19.000 0.238 0.000 0.819 420 A HN 0.756 nan 8.150 nan 0.000 0.442 421 A N -0.106 122.781 122.820 0.111 0.000 1.898 421 A HA 0.187 4.507 4.320 -0.000 0.000 0.216 421 A C 2.493 180.134 177.584 0.095 0.000 1.181 421 A CA 1.997 54.102 52.037 0.114 0.000 0.620 421 A CB -0.978 18.100 19.000 0.130 0.000 0.819 421 A HN 1.011 nan 8.150 nan 0.000 0.442 422 A N -1.267 121.606 122.820 0.088 0.000 1.902 422 A HA -0.057 4.262 4.320 -0.000 0.000 0.217 422 A C 2.057 179.690 177.584 0.082 0.000 1.181 422 A CA 1.603 53.684 52.037 0.073 0.000 0.623 422 A CB -0.719 18.318 19.000 0.063 0.000 0.818 422 A HN 0.605 nan 8.150 nan 0.000 0.443 423 F N 1.036 120.958 119.950 -0.048 0.000 2.134 423 F HA -0.011 4.516 4.527 0.000 0.000 0.299 423 F C 2.386 178.129 175.800 -0.096 0.000 1.097 423 F CA 1.413 59.371 58.000 -0.071 0.000 1.264 423 F CB -0.668 38.274 39.000 -0.097 0.000 1.001 423 F HN 0.228 nan 8.300 nan 0.000 0.479 424 G N -0.506 108.315 108.800 0.035 0.000 2.476 424 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 424 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 424 G C 1.877 176.764 174.900 -0.021 0.000 1.164 424 G CA 0.830 45.892 45.100 -0.064 0.000 0.768 424 G HN 0.586 nan 8.290 nan 0.000 0.560 425 G N -0.025 108.764 108.800 -0.018 0.000 2.494 425 G HA2 0.077 4.037 3.960 -0.000 0.000 0.216 425 G HA3 0.077 4.037 3.960 -0.000 0.000 0.216 425 G C 1.681 176.553 174.900 -0.046 0.000 1.140 425 G CA 0.632 45.725 45.100 -0.012 0.000 0.801 425 G HN 0.355 nan 8.290 nan 0.000 0.536 426 L N 0.672 121.835 121.223 -0.101 0.000 2.056 426 L HA 0.005 4.345 4.340 -0.000 0.000 0.207 426 L C 2.755 179.516 176.870 -0.182 0.000 1.078 426 L CA 1.424 56.182 54.840 -0.137 0.000 0.749 426 L CB -0.560 41.395 42.059 -0.173 0.000 0.901 426 L HN 0.247 nan 8.230 nan 0.000 0.433 427 C N -0.720 118.417 119.300 -0.273 0.000 2.453 427 C HA -0.098 4.362 4.460 -0.000 0.000 0.277 427 C C 2.677 177.589 174.990 -0.130 0.000 1.262 427 C CA 0.689 59.559 59.018 -0.247 0.000 1.718 427 C CB -0.786 26.792 27.740 -0.271 0.000 2.031 427 C HN 0.528 nan 8.230 nan 0.000 0.480 428 I N 1.190 121.715 120.570 -0.076 0.000 2.252 428 I HA -0.073 4.097 4.170 -0.000 0.000 0.245 428 I C 2.717 178.810 176.117 -0.040 0.000 1.102 428 I CA 1.757 63.022 61.300 -0.058 0.000 1.385 428 I CB -0.950 37.040 38.000 -0.017 0.000 1.064 428 I HN 0.437 nan 8.210 nan 0.000 0.414 429 G N 0.501 109.284 108.800 -0.028 0.000 2.443 429 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.219 429 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.219 429 G C 1.848 176.728 174.900 -0.034 0.000 1.131 429 G CA 0.778 45.874 45.100 -0.007 0.000 0.775 429 G HN 0.475 nan 8.290 nan 0.000 0.547 430 A N 0.432 123.223 122.820 -0.050 0.000 1.873 430 A HA 0.121 4.441 4.320 -0.000 0.000 0.215 430 A C 2.308 179.854 177.584 -0.062 0.000 1.186 430 A CA 1.439 53.444 52.037 -0.052 0.000 0.616 430 A CB -0.427 18.546 19.000 -0.045 0.000 0.823 430 A HN 0.359 nan 8.150 nan 0.000 0.442 431 L N -0.061 121.134 121.223 -0.048 0.000 2.093 431 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 431 L C 2.579 179.415 176.870 -0.056 0.000 1.085 431 L CA 2.189 57.012 54.840 -0.028 0.000 0.755 431 L CB -0.384 41.673 42.059 -0.003 0.000 0.904 431 L HN 0.307 nan 8.230 nan 0.000 0.435 432 S N -1.344 114.317 115.700 -0.065 0.000 2.368 432 S HA -0.150 4.320 4.470 -0.000 0.000 0.225 432 S C 1.938 176.445 174.600 -0.155 0.000 1.030 432 S CA 1.401 59.564 58.200 -0.060 0.000 0.999 432 S CB -0.348 62.850 63.200 -0.005 0.000 0.844 432 S HN 0.320 nan 8.310 nan 0.000 0.459 433 V N 2.160 121.896 119.914 -0.296 0.000 2.427 433 V HA -0.102 4.018 4.120 -0.000 0.000 0.248 433 V C 2.076 177.677 176.094 -0.821 0.000 1.051 433 V CA 1.353 63.257 62.300 -0.661 0.000 1.048 433 V CB -0.743 30.630 31.823 -0.750 0.000 0.666 433 V HN 0.432 nan 8.190 nan 0.000 0.456 434 L N 0.168 121.149 121.223 -0.404 0.000 2.201 434 L HA -0.071 4.269 4.340 -0.000 0.000 0.212 434 L C 2.694 179.453 176.870 -0.185 0.000 1.105 434 L CA 1.219 55.939 54.840 -0.199 0.000 0.775 434 L CB -0.795 41.252 42.059 -0.020 0.000 0.913 434 L HN 0.347 nan 8.230 nan 0.000 0.440 435 A N 0.184 122.902 122.820 -0.169 0.000 1.933 435 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 435 A C 1.843 179.387 177.584 -0.066 0.000 1.175 435 A CA 1.850 53.836 52.037 -0.086 0.000 0.628 435 A CB -0.415 18.570 19.000 -0.024 0.000 0.814 435 A HN 0.329 nan 8.150 nan 0.000 0.444 436 D N -0.494 119.824 120.400 -0.135 0.000 2.117 436 D HA -0.118 4.521 4.640 -0.000 0.000 0.197 436 D C 1.502 177.890 176.300 0.146 0.000 0.987 436 D CA 1.131 55.147 54.000 0.026 0.000 0.829 436 D CB -0.435 40.363 40.800 -0.004 0.000 0.961 436 D HN 0.452 nan 8.370 nan 0.000 0.460 437 F N 0.476 120.479 119.950 0.090 0.000 2.146 437 F HA 0.027 4.554 4.527 -0.000 0.000 0.298 437 F C 2.359 178.145 175.800 -0.023 0.000 1.096 437 F CA 0.359 58.391 58.000 0.053 0.000 1.275 437 F CB -1.021 37.978 39.000 -0.001 0.000 1.008 437 F HN -0.053 nan 8.300 nan 0.000 0.480 438 L N -1.179 120.050 121.223 0.011 0.000 2.093 438 L HA 0.139 4.479 4.340 -0.000 0.000 0.208 438 L C 1.042 177.856 176.870 -0.093 0.000 1.085 438 L CA 1.062 55.708 54.840 -0.324 0.000 0.755 438 L CB -0.668 40.759 42.059 -1.054 0.000 0.904 438 L HN 0.259 nan 8.230 nan 0.000 0.435 439 G N -1.546 107.296 108.800 0.071 0.000 2.429 439 G HA2 0.583 4.543 3.960 -0.000 0.000 0.300 439 G HA3 0.583 4.543 3.960 -0.000 0.000 0.300 439 G C -1.997 172.955 174.900 0.087 0.000 1.598 439 G CA 0.036 45.236 45.100 0.166 0.000 0.863 439 G HN 0.173 nan 8.290 nan 0.000 0.614 440 A N 0.419 123.202 122.820 -0.062 0.000 2.594 440 A HA 0.814 5.133 4.320 -0.000 0.000 0.291 440 A C 0.549 177.975 177.584 -0.264 0.000 1.105 440 A CA -0.182 51.757 52.037 -0.164 0.000 0.694 440 A CB 1.109 19.945 19.000 -0.273 0.000 1.291 440 A HN 1.837 nan 8.150 nan 0.000 0.410 441 I N -2.559 117.886 120.570 -0.208 0.000 4.018 441 I HA 0.605 4.775 4.170 -0.000 0.000 0.337 441 I C 0.854 176.859 176.117 -0.187 0.000 1.327 441 I CA 0.458 61.655 61.300 -0.172 0.000 1.100 441 I CB 0.858 38.805 38.000 -0.088 0.000 1.025 441 I HN 1.194 nan 8.210 nan 0.000 0.396 442 G N 0.532 109.175 108.800 -0.262 0.000 2.370 442 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.174 442 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.174 442 G C 0.043 175.019 174.900 0.127 0.000 1.002 442 G CA 0.111 45.173 45.100 -0.064 0.000 0.730 442 G HN 0.338 nan 8.290 nan 0.000 0.497 443 S N -1.065 114.654 115.700 0.032 0.000 2.467 443 S HA 0.474 4.944 4.470 -0.000 0.000 0.320 443 S C 0.849 175.455 174.600 0.011 0.000 0.940 443 S CA 0.166 58.374 58.200 0.012 0.000 0.896 443 S CB 0.710 63.646 63.200 -0.440 0.000 1.172 443 S HN 1.243 nan 8.310 nan 0.000 0.450 444 G N 1.293 110.163 108.800 0.115 0.000 2.572 444 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.216 444 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.216 444 G C 1.119 176.040 174.900 0.035 0.000 1.133 444 G CA 1.086 46.221 45.100 0.058 0.000 0.791 444 G HN 0.625 nan 8.290 nan 0.000 0.538 445 T N 0.882 115.476 114.554 0.066 0.000 2.788 445 T HA -0.039 4.311 4.350 -0.000 0.000 0.268 445 T C 2.497 177.180 174.700 -0.029 0.000 1.044 445 T CA 1.368 63.499 62.100 0.052 0.000 1.139 445 T CB -0.312 68.667 68.868 0.185 0.000 0.867 445 T HN 0.324 nan 8.240 nan 0.000 0.454 446 G N 1.291 110.029 108.800 -0.103 0.000 2.408 446 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.217 446 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.217 446 G C 1.498 176.354 174.900 -0.073 0.000 1.150 446 G CA 0.358 45.380 45.100 -0.129 0.000 0.776 446 G HN 0.522 nan 8.290 nan 0.000 0.542 447 I N -0.007 120.537 120.570 -0.043 0.000 2.286 447 I HA -0.095 4.075 4.170 -0.000 0.000 0.248 447 I C 2.535 178.654 176.117 0.003 0.000 1.115 447 I CA 0.475 61.766 61.300 -0.015 0.000 1.392 447 I CB -0.299 37.705 38.000 0.007 0.000 1.065 447 I HN 0.121 nan 8.210 nan 0.000 0.418 448 L N 0.849 122.073 121.223 0.003 0.000 2.046 448 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 448 L C 2.333 179.206 176.870 0.004 0.000 1.077 448 L CA 1.751 56.596 54.840 0.009 0.000 0.747 448 L CB -0.401 41.663 42.059 0.009 0.000 0.896 448 L HN 0.139 nan 8.230 nan 0.000 0.432 449 L N -1.036 120.178 121.223 -0.016 0.000 2.083 449 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 449 L C 2.630 179.493 176.870 -0.011 0.000 1.083 449 L CA 1.110 55.933 54.840 -0.028 0.000 0.752 449 L CB -0.841 41.176 42.059 -0.069 0.000 0.899 449 L HN 0.371 nan 8.230 nan 0.000 0.433 450 A N 0.109 122.921 122.820 -0.012 0.000 1.877 450 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 450 A C 2.275 179.897 177.584 0.064 0.000 1.186 450 A CA 1.986 54.024 52.037 0.002 0.000 0.620 450 A CB -0.865 18.129 19.000 -0.011 0.000 0.822 450 A HN 0.323 nan 8.150 nan 0.000 0.443 451 V N -2.864 117.103 119.914 0.088 0.000 2.548 451 V HA -0.123 3.997 4.120 -0.000 0.000 0.249 451 V C 2.164 178.358 176.094 0.168 0.000 1.055 451 V CA 2.439 64.836 62.300 0.161 0.000 1.065 451 V CB -1.731 30.138 31.823 0.076 0.000 0.681 451 V HN 0.404 nan 8.190 nan 0.000 0.462 452 T N 1.273 115.898 114.554 0.118 0.000 2.737 452 T HA 0.036 4.386 4.350 -0.000 0.000 0.265 452 T C 1.877 176.746 174.700 0.282 0.000 1.038 452 T CA 2.223 64.423 62.100 0.167 0.000 1.144 452 T CB -0.326 68.630 68.868 0.146 0.000 0.866 452 T HN 0.471 nan 8.240 nan 0.000 0.434 453 I N 0.540 121.250 120.570 0.233 0.000 2.233 453 I HA -0.088 4.082 4.170 -0.000 0.000 0.243 453 I C 2.276 178.533 176.117 0.233 0.000 1.093 453 I CA 0.883 62.339 61.300 0.260 0.000 1.380 453 I CB -0.292 37.758 38.000 0.084 0.000 1.067 453 I HN 0.159 nan 8.210 nan 0.000 0.413 454 I N 0.080 120.748 120.570 0.163 0.000 2.202 454 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 454 I C 2.594 178.760 176.117 0.082 0.000 1.091 454 I CA 1.979 63.340 61.300 0.102 0.000 1.368 454 I CB -1.013 37.000 38.000 0.021 0.000 1.058 454 I HN 0.195 nan 8.210 nan 0.000 0.410 455 Y N 0.953 121.283 120.300 0.050 0.000 2.200 455 Y HA -0.272 4.278 4.550 -0.000 0.000 0.290 455 Y C 2.862 178.791 175.900 0.048 0.000 1.137 455 Y CA 1.818 59.934 58.100 0.026 0.000 1.163 455 Y CB -0.421 38.023 38.460 -0.028 0.000 0.988 455 Y HN 0.181 nan 8.280 nan 0.000 0.518 456 Q N -0.936 118.953 119.800 0.148 0.000 2.083 456 Q HA -0.213 4.127 4.340 -0.000 0.000 0.198 456 Q C 2.021 178.043 176.000 0.036 0.000 0.969 456 Q CA 1.628 57.404 55.803 -0.045 0.000 0.838 456 Q CB -0.791 27.658 28.738 -0.482 0.000 0.900 456 Q HN 0.565 nan 8.270 nan 0.000 0.436 457 Y N -0.402 119.934 120.300 0.060 0.000 2.293 457 Y HA -0.138 4.412 4.550 -0.000 0.000 0.291 457 Y C 1.744 177.750 175.900 0.176 0.000 1.137 457 Y CA 1.255 59.435 58.100 0.134 0.000 1.202 457 Y CB -0.354 38.203 38.460 0.161 0.000 0.990 457 Y HN 0.273 nan 8.280 nan 0.000 0.537 458 F N 0.803 120.750 119.950 -0.004 0.000 2.171 458 F HA -0.205 4.322 4.527 0.000 0.000 0.300 458 F C 2.076 177.849 175.800 -0.045 0.000 1.090 458 F CA 1.945 59.919 58.000 -0.043 0.000 1.293 458 F CB -0.068 38.905 39.000 -0.045 0.000 1.013 458 F HN 0.092 nan 8.300 nan 0.000 0.486 459 E N 0.492 120.696 120.200 0.007 0.000 2.077 459 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 459 E C 2.266 178.785 176.600 -0.135 0.000 0.989 459 E CA 1.680 58.038 56.400 -0.070 0.000 0.800 459 E CB -0.219 29.477 29.700 -0.007 0.000 0.746 459 E HN 0.502 nan 8.360 nan 0.000 0.452 460 I N 0.375 120.857 120.570 -0.146 0.000 2.252 460 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 460 I C 2.297 178.294 176.117 -0.200 0.000 1.102 460 I CA 0.835 62.044 61.300 -0.151 0.000 1.385 460 I CB -0.240 37.690 38.000 -0.117 0.000 1.064 460 I HN 0.053 nan 8.210 nan 0.000 0.414 461 F N 1.579 121.233 119.950 -0.493 0.000 2.134 461 F HA -0.182 4.345 4.527 0.000 0.000 0.299 461 F C 2.344 177.977 175.800 -0.278 0.000 1.097 461 F CA 1.494 59.226 58.000 -0.447 0.000 1.264 461 F CB -0.339 38.373 39.000 -0.480 0.000 1.001 461 F HN -0.231 nan 8.300 nan 0.000 0.479 462 V N 0.409 120.160 119.914 -0.272 0.000 2.427 462 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 462 V C 2.423 178.359 176.094 -0.262 0.000 1.051 462 V CA 1.648 63.774 62.300 -0.289 0.000 1.048 462 V CB -0.673 30.980 31.823 -0.283 0.000 0.666 462 V HN 0.177 nan 8.190 nan 0.000 0.456 463 K N 0.449 120.721 120.400 -0.213 0.000 2.097 463 K HA -0.149 4.171 4.320 -0.000 0.000 0.205 463 K C 2.007 178.512 176.600 -0.158 0.000 1.050 463 K CA 1.312 57.504 56.287 -0.159 0.000 0.938 463 K CB -0.348 32.088 32.500 -0.108 0.000 0.718 463 K HN 0.592 nan 8.250 nan 0.000 0.442 464 E N 0.772 120.861 120.200 -0.184 0.000 2.106 464 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 464 E C 2.141 178.642 176.600 -0.165 0.000 0.984 464 E CA 0.569 56.883 56.400 -0.143 0.000 0.806 464 E CB 0.059 29.662 29.700 -0.162 0.000 0.750 464 E HN 0.183 nan 8.360 nan 0.000 0.458 465 Q N -0.096 119.518 119.800 -0.310 0.000 2.124 465 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 465 Q C 0.962 176.735 176.000 -0.378 0.000 0.977 465 Q CA 1.312 56.929 55.803 -0.309 0.000 0.850 465 Q CB 0.363 28.878 28.738 -0.371 0.000 0.901 465 Q HN 0.153 nan 8.270 nan 0.000 0.429 466 S N -1.779 113.682 115.700 -0.398 0.000 2.997 466 S HA -0.053 4.417 4.470 -0.000 0.000 0.191 466 S C -0.435 173.983 174.600 -0.304 0.000 1.226 466 S CA 0.055 57.960 58.200 -0.491 0.000 0.989 466 S CB -0.385 62.316 63.200 -0.832 0.000 1.119 466 S HN 0.403 nan 8.310 nan 0.000 0.687 467 E N 0.433 120.487 120.200 -0.244 0.000 2.254 467 E HA 0.732 5.082 4.350 -0.000 0.000 0.258 467 E C -0.651 175.856 176.600 -0.156 0.000 1.033 467 E CA -0.696 55.594 56.400 -0.183 0.000 0.893 467 E CB 1.913 31.514 29.700 -0.165 0.000 1.204 467 E HN 0.067 nan 8.360 nan 0.000 0.425 468 V N -0.950 118.889 119.914 -0.126 0.000 3.130 468 V HA 0.590 4.710 4.120 -0.000 0.000 0.310 468 V C 0.219 176.255 176.094 -0.096 0.000 1.158 468 V CA 0.650 62.887 62.300 -0.105 0.000 1.029 468 V CB 1.668 33.441 31.823 -0.083 0.000 1.057 468 V HN 0.899 nan 8.190 nan 0.000 0.436 469 G N 2.312 111.063 108.800 -0.082 0.000 2.194 469 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.236 469 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.236 469 G C 0.428 175.291 174.900 -0.062 0.000 0.987 469 G CA 0.465 45.529 45.100 -0.061 0.000 0.635 469 G HN 1.923 nan 8.290 nan 0.000 0.520 470 S N -0.474 115.155 115.700 -0.117 0.000 3.711 470 S HA -0.214 4.256 4.470 -0.000 0.000 0.374 470 S C 0.768 175.305 174.600 -0.105 0.000 0.969 470 S CA 1.906 59.994 58.200 -0.187 0.000 1.198 470 S CB -1.841 61.285 63.200 -0.123 0.000 0.903 470 S HN 1.670 nan 8.310 nan 0.000 0.493 471 M N -0.021 119.522 119.600 -0.096 0.000 2.416 471 M HA 0.770 5.250 4.480 -0.000 0.000 0.227 471 M C 1.071 177.366 176.300 -0.009 0.000 1.063 471 M CA -0.446 54.839 55.300 -0.025 0.000 1.192 471 M CB -0.040 32.529 32.600 -0.050 0.000 1.274 471 M HN 0.172 nan 8.290 nan 0.000 0.645 472 G N -0.953 107.867 108.800 0.034 0.000 2.699 472 G HA2 0.447 4.407 3.960 -0.000 0.000 0.246 472 G HA3 0.447 4.407 3.960 -0.000 0.000 0.246 472 G C 0.022 175.009 174.900 0.144 0.000 1.219 472 G CA -0.086 45.086 45.100 0.120 0.000 0.866 472 G HN 1.271 nan 8.290 nan 0.000 0.572 473 A N -0.302 122.713 122.820 0.326 0.000 2.355 473 A HA 0.132 4.452 4.320 -0.000 0.000 0.222 473 A C 1.340 179.106 177.584 0.304 0.000 2.875 473 A CA -0.115 52.107 52.037 0.308 0.000 1.652 473 A CB -0.777 18.317 19.000 0.157 0.000 0.208 473 A HN 0.432 nan 8.150 nan 0.000 0.616 474 L N -0.492 120.886 121.223 0.260 0.000 2.056 474 L HA 0.110 4.450 4.340 -0.000 0.000 0.207 474 L C 1.527 178.311 176.870 -0.142 0.000 1.078 474 L CA 2.091 56.970 54.840 0.065 0.000 0.749 474 L CB -0.716 41.367 42.059 0.040 0.000 0.901 474 L HN 0.615 nan 8.230 nan 0.000 0.433 475 L N -2.884 118.047 121.223 -0.487 0.000 3.606 475 L HA 0.206 4.546 4.340 -0.000 0.000 0.336 475 L C -0.370 176.086 176.870 -0.690 0.000 1.300 475 L CA -0.267 54.231 54.840 -0.570 0.000 1.050 475 L CB 0.458 42.147 42.059 -0.617 0.000 1.439 475 L HN -0.102 nan 8.230 nan 0.000 0.621 476 F N 0.000 119.932 119.950 -0.031 0.000 2.286 476 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 476 F CA 0.000 57.977 58.000 -0.038 0.000 1.383 476 F CB 0.000 38.979 39.000 -0.034 0.000 1.145 476 F HN 0.000 nan 8.300 nan 0.000 0.574