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 2qee_1_C DATA FIRST_RESID 0 DATA SEQUENCE SLSINSREVL AEKVKNAVNN QPVTDMHTHL FSPNFGEILL WDIDELLTYH DATA SEQUENCE YLVAEVMRWT DVSIEAFWAM SKREQADLIW EELFIKRSPV SEACRGVLTC DATA SEQUENCE LQGLGLDPAT RDLQVYREYF AKKTSEEQVD TVLQLANVSD VVMTNDPFDD DATA SEQUENCE NERISWLEGK QPDSRFHAAL RLDPLLNEYE QTKHRLRDWG YKVNDEWNEG DATA SEQUENCE SIQEVKRFLT DWIERMDPVY MAVSLPPTFS FPEESNRGRI IRDCLLPVAE DATA SEQUENCE KHNIPFAMMI GVKKRVHPAL GDAGDFVGKA SMDGVEHLLR EYPNNKFLVT DATA SEQUENCE MLSRENQHEL VVLARKFSNL MIFGCWWFMN NPEIINEMTR MRMEMLGTSF DATA SEQUENCE IPQHSDARVL EQLIYKWHHS KSIIAEVLID KYDDILQAGW EVTEEEIKRD DATA SEQUENCE VADLFSRNFW RFVGRND 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.557 174.600 -0.072 0.000 1.055 0 S CA 0.000 58.150 58.200 -0.083 0.000 1.107 0 S CB 0.000 63.150 63.200 -0.083 0.000 0.593 1 L N 4.210 125.400 121.223 -0.055 0.000 2.601 1 L HA 0.535 4.874 4.340 -0.001 0.000 0.277 1 L C 0.137 176.974 176.870 -0.056 0.000 1.219 1 L CA 1.134 55.946 54.840 -0.047 0.000 0.915 1 L CB 0.136 42.173 42.059 -0.037 0.000 1.160 1 L HN 0.388 nan 8.230 nan 0.000 0.494 2 S N 4.100 119.769 115.700 -0.052 0.000 2.727 2 S HA 0.588 5.057 4.470 -0.001 0.000 0.278 2 S C -0.428 174.148 174.600 -0.041 0.000 1.186 2 S CA -1.082 57.083 58.200 -0.058 0.000 0.836 2 S CB 0.248 63.400 63.200 -0.080 0.000 1.186 2 S HN 0.522 nan 8.310 nan 0.000 0.499 3 I N 2.234 122.780 120.570 -0.039 0.000 2.396 3 I HA 0.279 4.448 4.170 -0.001 0.000 0.289 3 I C 0.924 177.036 176.117 -0.009 0.000 1.056 3 I CA -0.299 60.985 61.300 -0.026 0.000 1.365 3 I CB 0.710 38.687 38.000 -0.038 0.000 1.407 3 I HN 0.778 nan 8.210 nan 0.000 0.509 4 N N 3.503 122.200 118.700 -0.005 0.000 2.392 4 N HA -0.019 4.721 4.740 -0.001 0.000 0.177 4 N C -0.089 175.429 175.510 0.012 0.000 1.066 4 N CA 0.132 53.184 53.050 0.002 0.000 0.895 4 N CB 0.504 38.990 38.487 -0.001 0.000 0.988 4 N HN 0.714 nan 8.380 nan 0.000 0.457 5 S N -1.983 113.725 115.700 0.015 0.000 2.588 5 S HA 0.350 4.820 4.470 -0.001 0.000 0.275 5 S C 0.489 175.107 174.600 0.031 0.000 1.130 5 S CA -0.928 57.286 58.200 0.023 0.000 0.855 5 S CB 1.952 65.163 63.200 0.019 0.000 1.116 5 S HN 0.103 nan 8.310 nan 0.000 0.472 6 R N 0.364 120.887 120.500 0.039 0.000 2.120 6 R HA -0.102 4.237 4.340 -0.001 0.000 0.234 6 R C 1.264 177.589 176.300 0.042 0.000 1.123 6 R CA 1.973 58.102 56.100 0.049 0.000 0.975 6 R CB -0.333 29.998 30.300 0.052 0.000 0.866 6 R HN 0.820 nan 8.270 nan 0.000 0.446 7 E N -0.529 119.691 120.200 0.032 0.000 2.072 7 E HA -0.113 4.236 4.350 -0.001 0.000 0.190 7 E C 1.904 178.519 176.600 0.025 0.000 0.982 7 E CA 1.180 57.597 56.400 0.029 0.000 0.803 7 E CB 0.028 29.742 29.700 0.023 0.000 0.755 7 E HN 0.079 nan 8.360 nan 0.000 0.453 8 V N 0.909 120.835 119.914 0.019 0.000 2.379 8 V HA -0.192 3.927 4.120 -0.001 0.000 0.245 8 V C 2.176 178.277 176.094 0.011 0.000 1.044 8 V CA 1.254 63.561 62.300 0.011 0.000 1.036 8 V CB -0.403 31.422 31.823 0.004 0.000 0.664 8 V HN 0.227 nan 8.190 nan 0.000 0.453 9 L N 1.240 122.473 121.223 0.017 0.000 1.990 9 L HA -0.196 4.143 4.340 -0.001 0.000 0.213 9 L C 2.466 179.360 176.870 0.040 0.000 1.072 9 L CA 2.633 57.485 54.840 0.019 0.000 0.755 9 L CB -1.002 41.086 42.059 0.049 0.000 0.889 9 L HN 0.233 nan 8.230 nan 0.000 0.432 10 A N -1.081 121.770 122.820 0.051 0.000 1.908 10 A HA -0.198 4.122 4.320 -0.001 0.000 0.218 10 A C 2.196 179.806 177.584 0.044 0.000 1.181 10 A CA 1.755 53.827 52.037 0.059 0.000 0.627 10 A CB -0.639 18.393 19.000 0.053 0.000 0.818 10 A HN 0.573 nan 8.150 nan 0.000 0.445 11 E N 0.105 120.322 120.200 0.029 0.000 2.077 11 E HA -0.153 4.197 4.350 -0.001 0.000 0.193 11 E C 2.005 178.614 176.600 0.015 0.000 0.989 11 E CA 1.207 57.619 56.400 0.020 0.000 0.800 11 E CB -0.251 29.457 29.700 0.013 0.000 0.746 11 E HN 0.634 nan 8.360 nan 0.000 0.452 12 K N 0.351 120.756 120.400 0.008 0.000 2.103 12 K HA -0.042 4.278 4.320 -0.001 0.000 0.204 12 K C 2.260 178.865 176.600 0.007 0.000 1.052 12 K CA 0.732 57.017 56.287 -0.004 0.000 0.945 12 K CB 0.004 32.490 32.500 -0.024 0.000 0.722 12 K HN -0.041 nan 8.250 nan 0.000 0.443 13 V N 1.934 121.866 119.914 0.031 0.000 2.307 13 V HA -0.250 3.870 4.120 -0.001 0.000 0.245 13 V C 2.068 178.203 176.094 0.068 0.000 1.045 13 V CA 1.713 64.061 62.300 0.079 0.000 1.024 13 V CB -0.371 31.548 31.823 0.160 0.000 0.651 13 V HN 0.282 nan 8.190 nan 0.000 0.449 14 K N 0.324 120.755 120.400 0.052 0.000 2.063 14 K HA -0.213 4.106 4.320 -0.001 0.000 0.208 14 K C 1.950 178.552 176.600 0.002 0.000 1.048 14 K CA 2.114 58.419 56.287 0.029 0.000 0.928 14 K CB -0.382 32.132 32.500 0.024 0.000 0.713 14 K HN 0.591 nan 8.250 nan 0.000 0.442 15 N N 0.391 119.092 118.700 0.001 0.000 2.084 15 N HA -0.165 4.574 4.740 -0.001 0.000 0.190 15 N C 1.920 177.416 175.510 -0.024 0.000 1.030 15 N CA 0.860 53.902 53.050 -0.013 0.000 0.849 15 N CB -0.158 38.324 38.487 -0.009 0.000 1.012 15 N HN 0.184 nan 8.380 nan 0.000 0.423 16 A N 0.949 123.763 122.820 -0.009 0.000 1.883 16 A HA -0.124 4.195 4.320 -0.001 0.000 0.217 16 A C 2.434 179.991 177.584 -0.045 0.000 1.186 16 A CA 1.311 53.343 52.037 -0.009 0.000 0.624 16 A CB -0.883 18.132 19.000 0.024 0.000 0.822 16 A HN 0.113 nan 8.150 nan 0.000 0.444 17 V N 0.863 120.753 119.914 -0.040 0.000 2.343 17 V HA -0.247 3.872 4.120 -0.001 0.000 0.247 17 V C 2.305 178.245 176.094 -0.257 0.000 1.051 17 V CA 2.169 64.378 62.300 -0.152 0.000 1.036 17 V CB -0.939 30.867 31.823 -0.028 0.000 0.654 17 V HN 0.560 nan 8.190 nan 0.000 0.451 18 N N 0.777 119.391 118.700 -0.143 0.000 2.188 18 N HA -0.113 4.627 4.740 -0.001 0.000 0.184 18 N C 1.554 176.981 175.510 -0.138 0.000 1.018 18 N CA 1.253 54.223 53.050 -0.133 0.000 0.858 18 N CB -0.495 37.947 38.487 -0.075 0.000 0.989 18 N HN 0.456 nan 8.380 nan 0.000 0.426 19 N N 0.738 119.370 118.700 -0.113 0.000 2.463 19 N HA -0.070 4.670 4.740 -0.001 0.000 0.181 19 N C 0.327 175.767 175.510 -0.117 0.000 1.078 19 N CA 0.200 53.193 53.050 -0.095 0.000 0.902 19 N CB -0.061 38.390 38.487 -0.060 0.000 0.970 19 N HN 0.338 nan 8.380 nan 0.000 0.451 20 Q N 2.204 121.903 119.800 -0.168 0.000 2.293 20 Q HA 0.234 4.573 4.340 -0.001 0.000 0.263 20 Q C -2.634 173.246 176.000 -0.201 0.000 1.002 20 Q CA -1.789 53.920 55.803 -0.155 0.000 0.910 20 Q CB 0.940 29.577 28.738 -0.168 0.000 1.185 20 Q HN -0.013 nan 8.270 nan 0.000 0.401 21 P HA 0.015 nan 4.420 nan 0.000 0.271 21 P C -1.046 176.154 177.300 -0.168 0.000 1.216 21 P CA -0.159 62.850 63.100 -0.151 0.000 0.771 21 P CB 0.804 32.451 31.700 -0.089 0.000 0.864 22 V N 4.072 123.812 119.914 -0.291 0.000 2.509 22 V HA 0.194 4.313 4.120 -0.001 0.000 0.284 22 V C 0.628 176.568 176.094 -0.256 0.000 1.047 22 V CA 0.043 62.118 62.300 -0.376 0.000 0.952 22 V CB 1.131 32.419 31.823 -0.893 0.000 0.988 22 V HN 0.494 nan 8.190 nan 0.000 0.469 23 T N 3.713 118.190 114.554 -0.129 0.000 2.743 23 T HA 0.181 4.530 4.350 -0.001 0.000 0.293 23 T C -0.264 174.298 174.700 -0.230 0.000 0.945 23 T CA -0.127 61.916 62.100 -0.096 0.000 1.030 23 T CB 0.501 69.400 68.868 0.053 0.000 0.912 23 T HN 0.724 nan 8.240 nan 0.000 0.483 24 D N 4.148 124.435 120.400 -0.190 0.000 2.443 24 D HA 0.225 4.864 4.640 -0.001 0.000 0.221 24 D C 0.823 177.034 176.300 -0.148 0.000 1.097 24 D CA -0.772 53.239 54.000 0.019 0.000 0.865 24 D CB 0.940 41.849 40.800 0.181 0.000 1.034 24 D HN 0.370 nan 8.370 nan 0.000 0.511 25 M N 2.268 121.691 119.600 -0.295 0.000 2.563 25 M HA 0.269 4.749 4.480 -0.001 0.000 0.231 25 M C -0.375 175.740 176.300 -0.307 0.000 1.136 25 M CA 0.062 54.935 55.300 -0.712 0.000 1.026 25 M CB -0.379 31.195 32.600 -1.710 0.000 1.597 25 M HN 0.240 nan 8.290 nan 0.000 0.495 26 H N 0.110 119.067 119.070 -0.188 0.000 3.240 26 H HA 0.617 5.173 4.556 -0.001 0.000 0.329 26 H C -1.272 174.067 175.328 0.019 0.000 1.024 26 H CA -0.314 55.664 56.048 -0.117 0.000 1.487 26 H CB 0.953 30.558 29.762 -0.261 0.000 1.909 26 H HN 0.359 nan 8.280 nan 0.000 0.465 27 T N 1.019 115.247 114.554 -0.544 0.000 2.838 27 T HA 0.318 4.667 4.350 -0.001 0.000 0.292 27 T C -0.348 173.927 174.700 -0.709 0.000 1.113 27 T CA -0.834 61.000 62.100 -0.445 0.000 1.008 27 T CB 1.635 70.392 68.868 -0.185 0.000 1.259 27 T HN 0.701 nan 8.240 nan 0.000 0.520 28 H N 0.439 119.334 119.070 -0.291 0.000 2.467 28 H HA 0.433 4.988 4.556 -0.001 0.000 0.275 28 H C -0.177 174.932 175.328 -0.365 0.000 1.131 28 H CA -0.152 55.725 56.048 -0.286 0.000 0.989 28 H CB 0.092 29.802 29.762 -0.087 0.000 1.696 28 H HN 0.322 nan 8.280 nan 0.000 0.574 29 L N 0.155 121.187 121.223 -0.319 0.000 2.387 29 L HA 0.406 4.746 4.340 -0.001 0.000 0.266 29 L C -0.468 176.081 176.870 -0.535 0.000 1.059 29 L CA -0.631 54.092 54.840 -0.194 0.000 0.801 29 L CB 0.961 43.055 42.059 0.059 0.000 1.223 29 L HN -0.067 nan 8.230 nan 0.000 0.456 30 F N -1.065 118.886 119.950 0.001 0.000 2.588 30 F HA 0.298 4.824 4.527 -0.001 0.000 0.314 30 F C 0.491 175.876 175.800 -0.693 0.000 1.069 30 F CA -0.705 57.131 58.000 -0.274 0.000 0.931 30 F CB 1.943 40.788 39.000 -0.258 0.000 1.260 30 F HN 0.277 nan 8.300 nan 0.000 0.465 31 S N 3.300 118.414 115.700 -0.976 0.000 2.558 31 S HA 0.054 4.524 4.470 -0.001 0.000 0.293 31 S C -1.307 172.993 174.600 -0.500 0.000 1.292 31 S CA -0.981 56.429 58.200 -1.317 0.000 1.063 31 S CB 0.619 63.392 63.200 -0.711 0.000 0.831 31 S HN 0.421 nan 8.310 nan 0.000 0.499 32 P HA -0.129 nan 4.420 nan 0.000 0.220 32 P C 1.009 178.291 177.300 -0.030 0.000 1.148 32 P CA 0.925 63.944 63.100 -0.135 0.000 0.803 32 P CB -0.260 31.364 31.700 -0.126 0.000 0.782 33 N N -0.141 118.544 118.700 -0.025 0.000 2.443 33 N HA -0.155 4.584 4.740 -0.001 0.000 0.184 33 N C 1.203 176.722 175.510 0.013 0.000 1.037 33 N CA 0.851 53.900 53.050 -0.001 0.000 0.896 33 N CB -1.385 37.086 38.487 -0.028 0.000 0.959 33 N HN 0.098 nan 8.380 nan 0.000 0.442 34 F N 0.868 120.697 119.950 -0.201 0.000 2.802 34 F HA 0.233 4.760 4.527 -0.001 0.000 0.300 34 F C 2.112 177.810 175.800 -0.171 0.000 1.168 34 F CA 0.376 58.241 58.000 -0.224 0.000 1.433 34 F CB -0.598 38.243 39.000 -0.266 0.000 1.115 34 F HN 0.348 nan 8.300 nan 0.000 0.582 35 G N 0.207 109.039 108.800 0.053 0.000 2.498 35 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.245 35 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.245 35 G C 0.978 175.918 174.900 0.066 0.000 1.204 35 G CA 0.098 45.219 45.100 0.035 0.000 0.933 35 G HN 0.123 nan 8.290 nan 0.000 0.574 36 E N 0.706 120.929 120.200 0.038 0.000 2.267 36 E HA -0.142 4.207 4.350 -0.001 0.000 0.197 36 E C 2.616 179.248 176.600 0.052 0.000 0.998 36 E CA 1.558 57.986 56.400 0.047 0.000 0.830 36 E CB -0.278 29.430 29.700 0.012 0.000 0.751 36 E HN 0.787 nan 8.360 nan 0.000 0.491 37 I N -1.064 119.504 120.570 -0.004 0.000 2.614 37 I HA -0.094 4.076 4.170 -0.001 0.000 0.258 37 I C 1.206 177.434 176.117 0.185 0.000 1.189 37 I CA 0.051 61.328 61.300 -0.038 0.000 1.462 37 I CB -0.374 37.373 38.000 -0.422 0.000 1.092 37 I HN -0.084 nan 8.210 nan 0.000 0.442 38 L N 3.518 124.885 121.223 0.241 0.000 2.485 38 L HA 0.300 4.639 4.340 -0.001 0.000 0.279 38 L C -0.290 176.793 176.870 0.356 0.000 1.124 38 L CA 0.255 55.309 54.840 0.356 0.000 0.888 38 L CB 0.073 42.297 42.059 0.275 0.000 1.217 38 L HN 0.136 nan 8.230 nan 0.000 0.464 39 L N 6.948 128.361 121.223 0.316 0.000 2.305 39 L HA 0.486 4.826 4.340 -0.001 0.000 0.281 39 L C -0.457 176.615 176.870 0.336 0.000 1.085 39 L CA -0.399 54.583 54.840 0.238 0.000 0.813 39 L CB 0.611 42.770 42.059 0.168 0.000 1.157 39 L HN 0.725 nan 8.230 nan 0.000 0.436 40 W N 3.140 124.459 121.300 0.032 0.000 3.146 40 W HA 0.563 5.223 4.660 -0.001 0.000 0.319 40 W C -1.531 174.940 176.519 -0.080 0.000 1.258 40 W CA -1.103 56.249 57.345 0.011 0.000 1.189 40 W CB 0.963 30.474 29.460 0.085 0.000 1.412 40 W HN 0.677 nan 8.180 nan 0.000 0.567 41 D N -0.612 119.800 120.400 0.019 0.000 10.478 41 D HA -0.235 4.404 4.640 -0.001 0.000 0.333 41 D C -0.518 175.326 176.300 -0.760 0.000 3.155 41 D CA 0.200 53.756 54.000 -0.740 0.000 2.684 41 D CB -0.804 39.505 40.800 -0.819 0.000 1.281 41 D HN 0.400 nan 8.370 nan 0.000 0.955 42 I N 0.539 120.400 120.570 -1.183 0.000 2.286 42 I HA -0.101 4.068 4.170 -0.001 0.000 0.248 42 I C 1.563 177.522 176.117 -0.262 0.000 1.115 42 I CA 1.739 62.740 61.300 -0.500 0.000 1.392 42 I CB -0.605 37.219 38.000 -0.294 0.000 1.065 42 I HN 0.449 nan 8.210 nan 0.000 0.418 43 D N 0.508 120.749 120.400 -0.266 0.000 2.144 43 D HA -0.157 4.483 4.640 -0.001 0.000 0.199 43 D C 2.095 178.353 176.300 -0.070 0.000 0.984 43 D CA 1.012 54.930 54.000 -0.138 0.000 0.834 43 D CB -0.139 40.577 40.800 -0.140 0.000 0.955 43 D HN 0.435 nan 8.370 nan 0.000 0.465 44 E N 0.391 120.526 120.200 -0.108 0.000 2.072 44 E HA -0.059 4.291 4.350 -0.001 0.000 0.190 44 E C 2.549 179.161 176.600 0.021 0.000 0.982 44 E CA 0.131 56.517 56.400 -0.023 0.000 0.803 44 E CB -0.262 29.411 29.700 -0.046 0.000 0.755 44 E HN 0.339 nan 8.360 nan 0.000 0.453 45 L N 0.591 121.795 121.223 -0.032 0.000 2.013 45 L HA -0.218 4.122 4.340 -0.001 0.000 0.212 45 L C 2.629 179.572 176.870 0.122 0.000 1.073 45 L CA 1.132 55.975 54.840 0.005 0.000 0.753 45 L CB -0.469 41.587 42.059 -0.007 0.000 0.890 45 L HN 0.115 nan 8.230 nan 0.000 0.432 46 L N -0.699 120.593 121.223 0.115 0.000 2.201 46 L HA -0.130 4.210 4.340 -0.001 0.000 0.212 46 L C 2.218 179.247 176.870 0.264 0.000 1.105 46 L CA 1.516 56.479 54.840 0.205 0.000 0.775 46 L CB -0.505 41.642 42.059 0.146 0.000 0.913 46 L HN 0.454 nan 8.230 nan 0.000 0.440 47 T N -4.826 109.872 114.554 0.241 0.000 3.105 47 T HA 0.009 4.358 4.350 -0.001 0.000 0.253 47 T C 0.493 175.419 174.700 0.376 0.000 1.047 47 T CA -0.458 61.830 62.100 0.313 0.000 0.944 47 T CB -0.361 68.663 68.868 0.260 0.000 1.016 47 T HN 0.014 nan 8.240 nan 0.000 0.544 48 Y N 4.515 124.916 120.300 0.169 0.000 2.993 48 Y HA -0.055 4.495 4.550 -0.001 0.000 0.340 48 Y C 1.562 177.581 175.900 0.197 0.000 1.273 48 Y CA -0.190 57.981 58.100 0.118 0.000 1.545 48 Y CB 0.351 38.819 38.460 0.013 0.000 1.275 48 Y HN 0.566 nan 8.280 nan 0.000 0.617 49 H N 2.646 121.813 119.070 0.162 0.000 2.457 49 H HA -0.138 4.417 4.556 -0.001 0.000 0.294 49 H C 1.215 176.599 175.328 0.093 0.000 1.064 49 H CA 1.900 58.038 56.048 0.150 0.000 1.330 49 H CB -0.669 29.195 29.762 0.171 0.000 1.395 49 H HN 0.641 nan 8.280 nan 0.000 0.541 50 Y N 0.980 120.796 120.300 -0.807 0.000 2.207 50 Y HA -0.125 4.425 4.550 -0.001 0.000 0.287 50 Y C 2.378 178.223 175.900 -0.092 0.000 1.156 50 Y CA 0.984 58.838 58.100 -0.410 0.000 1.182 50 Y CB -0.483 37.642 38.460 -0.559 0.000 0.979 50 Y HN 0.278 nan 8.280 nan 0.000 0.521 51 L N -1.656 119.658 121.223 0.151 0.000 2.209 51 L HA -0.107 4.232 4.340 -0.001 0.000 0.207 51 L C 2.221 179.152 176.870 0.101 0.000 1.094 51 L CA 0.274 55.223 54.840 0.181 0.000 0.790 51 L CB -0.591 41.632 42.059 0.274 0.000 0.932 51 L HN 0.032 nan 8.230 nan 0.000 0.447 52 V N 0.554 120.518 119.914 0.082 0.000 2.287 52 V HA -0.332 3.788 4.120 -0.001 0.000 0.248 52 V C 2.843 178.849 176.094 -0.147 0.000 1.053 52 V CA 1.962 64.187 62.300 -0.125 0.000 1.027 52 V CB -0.973 30.830 31.823 -0.033 0.000 0.646 52 V HN 0.488 nan 8.190 nan 0.000 0.447 53 A N -0.310 122.506 122.820 -0.007 0.000 1.883 53 A HA -0.288 4.032 4.320 -0.001 0.000 0.217 53 A C 2.191 179.749 177.584 -0.042 0.000 1.186 53 A CA 2.175 54.202 52.037 -0.018 0.000 0.624 53 A CB -0.548 18.486 19.000 0.057 0.000 0.822 53 A HN 0.647 nan 8.150 nan 0.000 0.444 54 E N -0.917 119.287 120.200 0.007 0.000 2.106 54 E HA -0.106 4.243 4.350 -0.001 0.000 0.192 54 E C 1.942 178.570 176.600 0.046 0.000 0.984 54 E CA 1.070 57.485 56.400 0.025 0.000 0.806 54 E CB -0.267 29.478 29.700 0.076 0.000 0.750 54 E HN 0.376 nan 8.360 nan 0.000 0.458 55 V N 1.046 120.971 119.914 0.018 0.000 2.515 55 V HA -0.198 3.921 4.120 -0.001 0.000 0.250 55 V C 1.888 177.967 176.094 -0.025 0.000 1.058 55 V CA 1.206 63.531 62.300 0.041 0.000 1.064 55 V CB -0.129 31.684 31.823 -0.016 0.000 0.675 55 V HN 0.290 nan 8.190 nan 0.000 0.461 56 M N -0.614 118.899 119.600 -0.145 0.000 2.460 56 M HA -0.047 4.433 4.480 -0.001 0.000 0.263 56 M C 2.066 178.303 176.300 -0.105 0.000 1.071 56 M CA 1.286 56.491 55.300 -0.158 0.000 1.096 56 M CB -1.315 31.149 32.600 -0.226 0.000 1.408 56 M HN 0.334 nan 8.290 nan 0.000 0.463 57 R N -1.971 118.451 120.500 -0.130 0.000 2.235 57 R HA -0.121 4.219 4.340 -0.001 0.000 0.213 57 R C 1.597 177.713 176.300 -0.306 0.000 1.059 57 R CA 1.061 57.007 56.100 -0.257 0.000 0.997 57 R CB -0.005 30.059 30.300 -0.393 0.000 0.884 57 R HN 0.456 nan 8.270 nan 0.000 0.462 58 W N -0.727 120.537 121.300 -0.060 0.000 2.893 58 W HA 0.127 4.787 4.660 -0.001 0.000 0.253 58 W C 1.029 177.526 176.519 -0.037 0.000 1.171 58 W CA -0.287 57.030 57.345 -0.046 0.000 1.480 58 W CB 0.282 29.716 29.460 -0.043 0.000 0.963 58 W HN -0.221 nan 8.180 nan 0.000 0.637 59 T N 0.740 115.411 114.554 0.196 0.000 2.904 59 T HA 0.025 4.375 4.350 -0.001 0.000 0.290 59 T C 0.741 175.486 174.700 0.076 0.000 1.018 59 T CA -0.070 62.103 62.100 0.121 0.000 1.075 59 T CB 0.892 69.806 68.868 0.076 0.000 0.986 59 T HN -0.025 nan 8.240 nan 0.000 0.523 60 D N 2.214 122.655 120.400 0.069 0.000 2.349 60 D HA 0.070 4.709 4.640 -0.001 0.000 0.215 60 D C 0.592 176.917 176.300 0.043 0.000 1.016 60 D CA 0.240 54.270 54.000 0.049 0.000 0.870 60 D CB 0.211 41.040 40.800 0.048 0.000 0.917 60 D HN 0.276 nan 8.370 nan 0.000 0.524 61 V N 2.441 122.385 119.914 0.050 0.000 2.599 61 V HA -0.029 4.091 4.120 -0.001 0.000 0.300 61 V C 1.098 177.216 176.094 0.039 0.000 1.034 61 V CA -0.259 62.074 62.300 0.056 0.000 1.115 61 V CB 1.033 32.909 31.823 0.088 0.000 0.934 61 V HN 0.174 nan 8.190 nan 0.000 0.485 62 S N 4.852 120.580 115.700 0.046 0.000 2.593 62 S HA 0.191 4.660 4.470 -0.001 0.000 0.269 62 S C 1.024 175.645 174.600 0.035 0.000 1.334 62 S CA -0.351 57.873 58.200 0.040 0.000 1.015 62 S CB 0.808 64.040 63.200 0.055 0.000 0.912 62 S HN 0.581 nan 8.310 nan 0.000 0.541 63 I N 1.643 122.223 120.570 0.016 0.000 2.208 63 I HA -0.117 4.053 4.170 -0.001 0.000 0.245 63 I C 2.073 178.239 176.117 0.081 0.000 1.097 63 I CA 1.754 63.038 61.300 -0.028 0.000 1.363 63 I CB -0.864 37.140 38.000 0.007 0.000 1.051 63 I HN 0.850 nan 8.210 nan 0.000 0.413 64 E N 0.820 121.116 120.200 0.160 0.000 2.058 64 E HA -0.176 4.173 4.350 -0.001 0.000 0.194 64 E C 2.277 178.977 176.600 0.168 0.000 0.997 64 E CA 1.652 58.178 56.400 0.209 0.000 0.801 64 E CB -0.752 29.038 29.700 0.152 0.000 0.746 64 E HN 0.594 nan 8.360 nan 0.000 0.450 65 A N 0.271 123.158 122.820 0.112 0.000 1.933 65 A HA -0.160 4.160 4.320 -0.001 0.000 0.218 65 A C 2.101 179.725 177.584 0.068 0.000 1.175 65 A CA 1.227 53.314 52.037 0.084 0.000 0.628 65 A CB -0.817 18.224 19.000 0.069 0.000 0.814 65 A HN 0.323 nan 8.150 nan 0.000 0.444 66 F N -0.790 119.098 119.950 -0.103 0.000 2.095 66 F HA -0.209 4.317 4.527 -0.001 0.000 0.298 66 F C 2.025 177.744 175.800 -0.134 0.000 1.104 66 F CA 1.875 59.744 58.000 -0.218 0.000 1.232 66 F CB -0.455 38.268 39.000 -0.461 0.000 0.987 66 F HN 0.417 nan 8.300 nan 0.000 0.475 67 W N -0.271 121.085 121.300 0.093 0.000 2.465 67 W HA -0.004 4.656 4.660 -0.001 0.000 0.268 67 W C 2.387 178.868 176.519 -0.063 0.000 1.242 67 W CA 0.569 57.918 57.345 0.007 0.000 1.248 67 W CB -0.401 29.124 29.460 0.109 0.000 1.118 67 W HN 0.084 nan 8.180 nan 0.000 0.587 68 A N -0.281 122.636 122.820 0.161 0.000 2.119 68 A HA 0.048 4.368 4.320 -0.001 0.000 0.216 68 A C 1.126 178.712 177.584 0.003 0.000 1.152 68 A CA 0.367 52.451 52.037 0.080 0.000 0.708 68 A CB -0.474 18.570 19.000 0.073 0.000 0.805 68 A HN 0.100 nan 8.150 nan 0.000 0.460 69 M N 1.070 120.622 119.600 -0.080 0.000 2.226 69 M HA 0.174 4.653 4.480 -0.001 0.000 0.324 69 M C 0.927 177.162 176.300 -0.109 0.000 1.112 69 M CA -0.218 55.010 55.300 -0.120 0.000 1.176 69 M CB 0.836 33.307 32.600 -0.216 0.000 1.430 69 M HN 0.405 nan 8.290 nan 0.000 0.462 70 S N 0.871 116.523 115.700 -0.079 0.000 2.600 70 S HA 0.127 4.596 4.470 -0.001 0.000 0.265 70 S C 0.833 175.383 174.600 -0.083 0.000 1.325 70 S CA -0.642 57.522 58.200 -0.061 0.000 1.002 70 S CB 0.982 64.155 63.200 -0.045 0.000 0.921 70 S HN 0.805 nan 8.310 nan 0.000 0.554 71 K N 0.866 121.234 120.400 -0.054 0.000 2.044 71 K HA -0.207 4.113 4.320 -0.001 0.000 0.210 71 K C 2.486 179.055 176.600 -0.053 0.000 1.049 71 K CA 1.679 57.938 56.287 -0.045 0.000 0.927 71 K CB -0.219 32.266 32.500 -0.026 0.000 0.713 71 K HN 0.708 nan 8.250 nan 0.000 0.443 72 R N 0.705 121.171 120.500 -0.057 0.000 2.091 72 R HA -0.173 4.166 4.340 -0.001 0.000 0.238 72 R C 1.878 178.151 176.300 -0.044 0.000 1.136 72 R CA 2.080 58.147 56.100 -0.055 0.000 0.959 72 R CB -0.059 30.207 30.300 -0.056 0.000 0.856 72 R HN 0.320 nan 8.270 nan 0.000 0.437 73 E N -0.038 120.131 120.200 -0.052 0.000 2.077 73 E HA -0.220 4.129 4.350 -0.001 0.000 0.193 73 E C 2.212 178.787 176.600 -0.041 0.000 0.989 73 E CA 1.341 57.715 56.400 -0.043 0.000 0.800 73 E CB 0.017 29.683 29.700 -0.057 0.000 0.746 73 E HN 0.458 nan 8.360 nan 0.000 0.452 74 Q N 0.242 119.972 119.800 -0.116 0.000 2.061 74 Q HA -0.178 4.162 4.340 -0.001 0.000 0.204 74 Q C 2.286 178.355 176.000 0.115 0.000 0.984 74 Q CA 1.476 57.205 55.803 -0.123 0.000 0.846 74 Q CB -0.212 28.305 28.738 -0.368 0.000 0.902 74 Q HN 0.258 nan 8.270 nan 0.000 0.421 75 A N 1.343 124.205 122.820 0.071 0.000 1.902 75 A HA -0.238 4.081 4.320 -0.001 0.000 0.217 75 A C 1.635 179.295 177.584 0.126 0.000 1.181 75 A CA 1.823 53.922 52.037 0.102 0.000 0.623 75 A CB -0.520 18.491 19.000 0.019 0.000 0.818 75 A HN 0.261 nan 8.150 nan 0.000 0.443 76 D N -0.416 120.028 120.400 0.075 0.000 2.104 76 D HA -0.151 4.488 4.640 -0.001 0.000 0.194 76 D C 1.855 178.266 176.300 0.184 0.000 0.994 76 D CA 1.433 55.494 54.000 0.101 0.000 0.830 76 D CB -0.465 40.363 40.800 0.045 0.000 0.959 76 D HN 0.347 nan 8.370 nan 0.000 0.452 77 L N 0.833 122.156 121.223 0.166 0.000 2.017 77 L HA -0.111 4.228 4.340 -0.001 0.000 0.208 77 L C 2.213 179.219 176.870 0.228 0.000 1.073 77 L CA 1.361 56.312 54.840 0.184 0.000 0.745 77 L CB -0.518 41.665 42.059 0.207 0.000 0.894 77 L HN 0.006 nan 8.230 nan 0.000 0.432 78 I N -1.681 119.057 120.570 0.280 0.000 2.208 78 I HA -0.360 3.809 4.170 -0.001 0.000 0.245 78 I C 2.403 178.758 176.117 0.396 0.000 1.097 78 I CA 1.788 63.276 61.300 0.313 0.000 1.363 78 I CB -0.588 37.614 38.000 0.336 0.000 1.051 78 I HN 0.570 nan 8.210 nan 0.000 0.413 79 W N 2.110 123.492 121.300 0.137 0.000 2.333 79 W HA -0.291 4.368 4.660 -0.001 0.000 0.316 79 W C 2.507 179.125 176.519 0.165 0.000 1.215 79 W CA 2.139 59.524 57.345 0.067 0.000 1.278 79 W CB -0.142 29.266 29.460 -0.087 0.000 1.154 79 W HN 0.159 nan 8.180 nan 0.000 0.486 80 E N 0.632 120.980 120.200 0.246 0.000 2.058 80 E HA -0.242 4.107 4.350 -0.001 0.000 0.194 80 E C 1.975 178.573 176.600 -0.002 0.000 0.997 80 E CA 2.048 58.502 56.400 0.091 0.000 0.801 80 E CB -0.480 29.289 29.700 0.116 0.000 0.746 80 E HN 0.181 nan 8.360 nan 0.000 0.450 81 E N -0.410 119.812 120.200 0.038 0.000 2.112 81 E HA -0.033 4.317 4.350 -0.001 0.000 0.190 81 E C 2.032 178.535 176.600 -0.162 0.000 0.979 81 E CA 0.753 57.120 56.400 -0.054 0.000 0.814 81 E CB 0.128 29.852 29.700 0.041 0.000 0.762 81 E HN 0.381 nan 8.360 nan 0.000 0.460 82 L N -1.229 119.974 121.223 -0.033 0.000 2.609 82 L HA 0.184 4.523 4.340 -0.001 0.000 0.230 82 L C 1.563 178.192 176.870 -0.402 0.000 1.087 82 L CA 0.113 54.850 54.840 -0.172 0.000 0.874 82 L CB 0.124 42.140 42.059 -0.071 0.000 1.114 82 L HN 0.016 nan 8.230 nan 0.000 0.488 83 F N -1.150 118.571 119.950 -0.381 0.000 2.592 83 F HA 0.154 4.680 4.527 -0.001 0.000 0.280 83 F C 2.049 177.561 175.800 -0.481 0.000 1.083 83 F CA -0.049 57.624 58.000 -0.545 0.000 1.365 83 F CB 0.383 38.724 39.000 -1.100 0.000 1.100 83 F HN -0.176 nan 8.300 nan 0.000 0.633 84 I N 0.482 120.904 120.570 -0.246 0.000 2.429 84 I HA -0.053 4.117 4.170 -0.001 0.000 0.247 84 I C 1.806 177.820 176.117 -0.172 0.000 1.099 84 I CA 1.306 62.495 61.300 -0.186 0.000 1.422 84 I CB -1.083 36.845 38.000 -0.121 0.000 1.112 84 I HN 0.075 nan 8.210 nan 0.000 0.430 85 K N 0.485 120.761 120.400 -0.207 0.000 2.305 85 K HA 0.026 4.345 4.320 -0.001 0.000 0.199 85 K C 0.173 176.559 176.600 -0.357 0.000 1.047 85 K CA 0.470 56.605 56.287 -0.253 0.000 0.976 85 K CB 0.266 32.599 32.500 -0.279 0.000 0.765 85 K HN 0.165 nan 8.250 nan 0.000 0.474 86 R N -0.476 119.785 120.500 -0.399 0.000 2.808 86 R HA 0.274 4.613 4.340 -0.001 0.000 0.272 86 R C -0.945 175.186 176.300 -0.282 0.000 0.995 86 R CA -0.543 55.331 56.100 -0.377 0.000 0.917 86 R CB 1.786 31.767 30.300 -0.532 0.000 1.217 86 R HN -0.164 nan 8.270 nan 0.000 0.471 87 S N 3.215 118.790 115.700 -0.208 0.000 2.549 87 S HA 0.166 4.636 4.470 -0.001 0.000 0.283 87 S C -1.951 172.495 174.600 -0.257 0.000 1.320 87 S CA -0.643 57.442 58.200 -0.191 0.000 1.058 87 S CB 0.540 63.666 63.200 -0.123 0.000 0.882 87 S HN 0.428 nan 8.310 nan 0.000 0.498 88 P HA 0.094 nan 4.420 nan 0.000 0.226 88 P C 0.799 177.914 177.300 -0.309 0.000 1.783 88 P CA -0.133 62.634 63.100 -0.554 0.000 0.980 88 P CB -0.535 30.654 31.700 -0.853 0.000 1.967 89 V N -0.924 118.871 119.914 -0.198 0.000 3.235 89 V HA -0.004 4.115 4.120 -0.001 0.000 0.259 89 V C 1.195 177.240 176.094 -0.081 0.000 1.133 89 V CA 0.525 62.758 62.300 -0.112 0.000 1.128 89 V CB -1.314 30.467 31.823 -0.070 0.000 0.757 89 V HN 0.362 nan 8.190 nan 0.000 0.469 90 S N 0.686 116.335 115.700 -0.084 0.000 2.580 90 S HA 0.050 4.520 4.470 -0.001 0.000 0.266 90 S C 1.125 175.721 174.600 -0.007 0.000 1.354 90 S CA 0.679 58.864 58.200 -0.025 0.000 1.008 90 S CB 1.126 64.325 63.200 -0.003 0.000 0.898 90 S HN 0.535 nan 8.310 nan 0.000 0.555 91 E N 2.001 122.237 120.200 0.060 0.000 2.058 91 E HA -0.119 4.231 4.350 -0.001 0.000 0.194 91 E C 2.086 178.739 176.600 0.090 0.000 0.997 91 E CA 2.005 58.473 56.400 0.112 0.000 0.801 91 E CB -0.997 28.820 29.700 0.195 0.000 0.746 91 E HN 0.821 nan 8.360 nan 0.000 0.450 92 A N -0.308 122.593 122.820 0.135 0.000 1.930 92 A HA -0.164 4.155 4.320 -0.001 0.000 0.217 92 A C 2.571 180.162 177.584 0.011 0.000 1.175 92 A CA 1.456 53.573 52.037 0.133 0.000 0.627 92 A CB -0.904 18.278 19.000 0.303 0.000 0.815 92 A HN 0.503 nan 8.150 nan 0.000 0.443 93 C N -1.315 117.967 119.300 -0.031 0.000 2.476 93 C HA 0.005 4.464 4.460 -0.001 0.000 0.278 93 C C 2.766 177.720 174.990 -0.061 0.000 1.274 93 C CA 0.914 59.855 59.018 -0.128 0.000 1.713 93 C CB -1.118 26.288 27.740 -0.555 0.000 2.039 93 C HN 0.721 nan 8.230 nan 0.000 0.484 94 R N 1.165 121.611 120.500 -0.089 0.000 2.113 94 R HA -0.155 4.185 4.340 -0.001 0.000 0.244 94 R C 2.230 178.502 176.300 -0.045 0.000 1.142 94 R CA 2.251 58.332 56.100 -0.032 0.000 0.953 94 R CB -0.892 29.392 30.300 -0.027 0.000 0.860 94 R HN 0.563 nan 8.270 nan 0.000 0.438 95 G N 0.346 108.956 108.800 -0.317 0.000 2.469 95 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.219 95 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.219 95 G C 1.494 176.047 174.900 -0.579 0.000 1.150 95 G CA 1.071 45.459 45.100 -1.185 0.000 0.763 95 G HN 0.263 nan 8.290 nan 0.000 0.561 96 V N 1.134 120.920 119.914 -0.213 0.000 2.324 96 V HA -0.200 3.919 4.120 -0.001 0.000 0.250 96 V C 2.930 179.068 176.094 0.072 0.000 1.060 96 V CA 1.760 64.093 62.300 0.055 0.000 1.042 96 V CB -0.482 31.508 31.823 0.278 0.000 0.650 96 V HN 0.380 nan 8.190 nan 0.000 0.450 97 L N -0.602 120.693 121.223 0.120 0.000 2.056 97 L HA -0.144 4.196 4.340 -0.001 0.000 0.207 97 L C 2.636 179.513 176.870 0.011 0.000 1.078 97 L CA 1.880 56.774 54.840 0.090 0.000 0.749 97 L CB -1.243 40.893 42.059 0.128 0.000 0.901 97 L HN 0.318 nan 8.230 nan 0.000 0.433 98 T N -0.642 113.917 114.554 0.008 0.000 2.720 98 T HA -0.218 4.132 4.350 -0.001 0.000 0.268 98 T C 2.092 176.776 174.700 -0.026 0.000 1.037 98 T CA 1.635 63.720 62.100 -0.025 0.000 1.144 98 T CB -0.408 68.490 68.868 0.050 0.000 0.864 98 T HN 0.390 nan 8.240 nan 0.000 0.444 99 C N 0.913 120.223 119.300 0.017 0.000 2.436 99 C HA 0.022 4.481 4.460 -0.001 0.000 0.277 99 C C 2.708 177.679 174.990 -0.032 0.000 1.241 99 C CA 0.380 59.420 59.018 0.037 0.000 1.721 99 C CB -1.435 26.361 27.740 0.093 0.000 2.043 99 C HN 0.522 nan 8.230 nan 0.000 0.472 100 L N 0.344 121.517 121.223 -0.083 0.000 2.012 100 L HA -0.265 4.074 4.340 -0.001 0.000 0.210 100 L C 2.808 179.559 176.870 -0.199 0.000 1.073 100 L CA 1.845 56.555 54.840 -0.217 0.000 0.748 100 L CB -0.924 40.905 42.059 -0.383 0.000 0.891 100 L HN 0.491 nan 8.230 nan 0.000 0.431 101 Q N 0.043 119.769 119.800 -0.124 0.000 2.061 101 Q HA -0.196 4.144 4.340 -0.001 0.000 0.204 101 Q C 2.185 178.142 176.000 -0.072 0.000 0.984 101 Q CA 1.829 57.582 55.803 -0.084 0.000 0.846 101 Q CB -0.294 28.415 28.738 -0.049 0.000 0.902 101 Q HN 0.558 nan 8.270 nan 0.000 0.421 102 G N 0.876 109.642 108.800 -0.057 0.000 2.442 102 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.219 102 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.219 102 G C 1.253 176.120 174.900 -0.055 0.000 1.141 102 G CA 0.643 45.729 45.100 -0.024 0.000 0.763 102 G HN 0.341 nan 8.290 nan 0.000 0.554 103 L N 0.419 121.562 121.223 -0.133 0.000 2.610 103 L HA 0.234 4.573 4.340 -0.001 0.000 0.232 103 L C 2.057 178.775 176.870 -0.253 0.000 1.149 103 L CA 0.434 55.127 54.840 -0.246 0.000 0.872 103 L CB -0.030 41.727 42.059 -0.505 0.000 0.992 103 L HN 0.396 nan 8.230 nan 0.000 0.447 104 G N 0.045 108.754 108.800 -0.152 0.000 2.143 104 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.249 104 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.249 104 G C 0.237 175.070 174.900 -0.112 0.000 0.981 104 G CA -0.059 44.986 45.100 -0.091 0.000 0.665 104 G HN 0.235 nan 8.290 nan 0.000 0.528 105 L N -0.135 120.967 121.223 -0.203 0.000 2.468 105 L HA 0.634 4.973 4.340 -0.001 0.000 0.254 105 L C 0.240 177.060 176.870 -0.083 0.000 1.171 105 L CA -0.729 54.018 54.840 -0.155 0.000 0.809 105 L CB 0.658 42.536 42.059 -0.302 0.000 1.155 105 L HN 0.090 nan 8.230 nan 0.000 0.473 106 D N 0.082 120.505 120.400 0.038 0.000 2.461 106 D HA 0.287 4.926 4.640 -0.001 0.000 0.240 106 D C -1.966 174.433 176.300 0.165 0.000 1.094 106 D CA -2.042 52.010 54.000 0.087 0.000 0.868 106 D CB 1.659 42.531 40.800 0.120 0.000 1.062 106 D HN 0.073 nan 8.370 nan 0.000 0.530 107 P HA -0.063 nan 4.420 nan 0.000 0.221 107 P C 1.043 178.492 177.300 0.248 0.000 1.145 107 P CA 0.784 63.992 63.100 0.179 0.000 0.795 107 P CB 0.286 32.048 31.700 0.103 0.000 0.775 108 A N -0.191 122.732 122.820 0.171 0.000 1.972 108 A HA -0.191 4.129 4.320 -0.001 0.000 0.219 108 A C 2.194 179.872 177.584 0.157 0.000 1.169 108 A CA 2.360 54.481 52.037 0.139 0.000 0.635 108 A CB -1.815 17.242 19.000 0.095 0.000 0.810 108 A HN 0.361 nan 8.150 nan 0.000 0.446 109 T N -3.917 110.752 114.554 0.192 0.000 3.043 109 T HA 0.019 4.369 4.350 -0.001 0.000 0.263 109 T C 0.930 175.723 174.700 0.156 0.000 1.094 109 T CA 0.603 62.786 62.100 0.139 0.000 1.127 109 T CB -0.342 68.585 68.868 0.099 0.000 0.905 109 T HN 0.593 nan 8.240 nan 0.000 0.490 110 R N 0.993 121.676 120.500 0.305 0.000 3.641 110 R HA -0.129 4.210 4.340 -0.001 0.000 0.286 110 R C -0.864 175.483 176.300 0.079 0.000 1.153 110 R CA 0.794 57.158 56.100 0.439 0.000 0.775 110 R CB -2.286 28.257 30.300 0.404 0.000 1.215 110 R HN 0.430 nan 8.270 nan 0.000 0.474 111 D N 0.966 121.139 120.400 -0.377 0.000 2.494 111 D HA 0.089 4.728 4.640 -0.001 0.000 0.217 111 D C 0.952 176.506 176.300 -1.244 0.000 1.153 111 D CA -0.313 53.319 54.000 -0.614 0.000 0.954 111 D CB 0.761 41.329 40.800 -0.385 0.000 1.034 111 D HN 0.084 nan 8.370 nan 0.000 0.518 112 L N 3.689 124.329 121.223 -0.972 0.000 2.083 112 L HA -0.170 4.169 4.340 -0.001 0.000 0.209 112 L C 2.143 178.709 176.870 -0.507 0.000 1.083 112 L CA 1.838 56.133 54.840 -0.909 0.000 0.752 112 L CB -0.533 40.946 42.059 -0.966 0.000 0.899 112 L HN 0.366 nan 8.230 nan 0.000 0.433 113 Q N -0.646 118.928 119.800 -0.377 0.000 2.061 113 Q HA -0.181 4.159 4.340 -0.001 0.000 0.204 113 Q C 2.038 177.944 176.000 -0.157 0.000 0.984 113 Q CA 2.844 58.523 55.803 -0.207 0.000 0.846 113 Q CB -0.802 27.841 28.738 -0.159 0.000 0.902 113 Q HN 0.369 nan 8.270 nan 0.000 0.421 114 V N 0.315 120.089 119.914 -0.233 0.000 2.407 114 V HA -0.242 3.877 4.120 -0.001 0.000 0.248 114 V C 1.970 178.091 176.094 0.046 0.000 1.055 114 V CA 1.843 64.078 62.300 -0.109 0.000 1.049 114 V CB -0.865 30.886 31.823 -0.120 0.000 0.662 114 V HN 0.401 nan 8.190 nan 0.000 0.455 115 Y N 0.802 121.098 120.300 -0.006 0.000 2.181 115 Y HA -0.148 4.402 4.550 -0.001 0.000 0.288 115 Y C 2.613 178.675 175.900 0.270 0.000 1.146 115 Y CA 0.903 59.049 58.100 0.076 0.000 1.164 115 Y CB -1.043 37.415 38.460 -0.002 0.000 0.982 115 Y HN 0.178 nan 8.280 nan 0.000 0.515 116 R N 0.351 121.025 120.500 0.290 0.000 2.096 116 R HA -0.154 4.186 4.340 -0.001 0.000 0.235 116 R C 2.051 178.529 176.300 0.297 0.000 1.127 116 R CA 1.510 57.783 56.100 0.288 0.000 0.968 116 R CB -0.322 30.018 30.300 0.066 0.000 0.861 116 R HN 0.479 nan 8.270 nan 0.000 0.440 117 E N -0.317 119.992 120.200 0.181 0.000 2.160 117 E HA -0.264 4.085 4.350 -0.001 0.000 0.195 117 E C 1.592 178.274 176.600 0.137 0.000 0.991 117 E CA 1.318 57.792 56.400 0.124 0.000 0.810 117 E CB -0.208 29.534 29.700 0.070 0.000 0.742 117 E HN 0.410 nan 8.360 nan 0.000 0.466 118 Y N 0.283 120.593 120.300 0.017 0.000 2.165 118 Y HA -0.276 4.274 4.550 -0.001 0.000 0.286 118 Y C 1.666 177.483 175.900 -0.138 0.000 1.155 118 Y CA 1.729 59.739 58.100 -0.151 0.000 1.164 118 Y CB -0.185 38.044 38.460 -0.385 0.000 0.978 118 Y HN -0.044 nan 8.280 nan 0.000 0.513 119 F N -0.469 119.641 119.950 0.266 0.000 2.416 119 F HA 0.092 4.619 4.527 -0.001 0.000 0.296 119 F C 2.499 178.371 175.800 0.121 0.000 1.099 119 F CA 0.640 58.803 58.000 0.273 0.000 1.427 119 F CB -0.865 38.299 39.000 0.273 0.000 1.079 119 F HN 0.104 nan 8.300 nan 0.000 0.536 120 A N 0.969 123.917 122.820 0.214 0.000 2.019 120 A HA -0.183 4.137 4.320 -0.001 0.000 0.219 120 A C 1.947 179.573 177.584 0.071 0.000 1.164 120 A CA 1.435 53.531 52.037 0.097 0.000 0.644 120 A CB -0.695 18.343 19.000 0.064 0.000 0.805 120 A HN 0.441 nan 8.150 nan 0.000 0.449 121 K N -0.217 120.203 120.400 0.032 0.000 2.500 121 K HA 0.245 4.565 4.320 -0.001 0.000 0.206 121 K C -0.448 176.145 176.600 -0.011 0.000 1.034 121 K CA -0.015 56.266 56.287 -0.010 0.000 1.179 121 K CB 0.183 32.647 32.500 -0.059 0.000 0.884 121 K HN 0.289 nan 8.250 nan 0.000 0.493 122 K N 1.242 121.700 120.400 0.096 0.000 2.443 122 K HA 0.212 4.531 4.320 -0.001 0.000 0.251 122 K C -0.346 176.405 176.600 0.252 0.000 0.972 122 K CA -0.776 55.572 56.287 0.102 0.000 0.833 122 K CB 1.983 34.503 32.500 0.034 0.000 1.317 122 K HN 0.131 nan 8.250 nan 0.000 0.441 123 T N -1.947 112.676 114.554 0.115 0.000 2.874 123 T HA 0.137 4.487 4.350 -0.001 0.000 0.281 123 T C 1.146 175.837 174.700 -0.015 0.000 0.994 123 T CA -0.574 61.616 62.100 0.150 0.000 1.015 123 T CB 1.362 70.263 68.868 0.054 0.000 1.028 123 T HN 0.380 nan 8.240 nan 0.000 0.523 124 S N 0.767 116.521 115.700 0.092 0.000 2.365 124 S HA -0.143 4.327 4.470 -0.001 0.000 0.225 124 S C 1.977 176.387 174.600 -0.317 0.000 1.039 124 S CA 1.725 59.781 58.200 -0.240 0.000 1.033 124 S CB -0.573 62.702 63.200 0.126 0.000 0.887 124 S HN 0.852 nan 8.310 nan 0.000 0.447 125 E N 1.141 121.260 120.200 -0.135 0.000 2.077 125 E HA -0.131 4.219 4.350 -0.001 0.000 0.193 125 E C 2.111 178.635 176.600 -0.127 0.000 0.989 125 E CA 1.168 57.505 56.400 -0.104 0.000 0.800 125 E CB -0.189 29.480 29.700 -0.052 0.000 0.746 125 E HN 0.571 nan 8.360 nan 0.000 0.452 126 E N -0.028 120.087 120.200 -0.142 0.000 2.077 126 E HA -0.244 4.105 4.350 -0.001 0.000 0.193 126 E C 2.090 178.575 176.600 -0.191 0.000 0.989 126 E CA 1.137 57.456 56.400 -0.135 0.000 0.800 126 E CB -0.034 29.596 29.700 -0.117 0.000 0.746 126 E HN 0.088 nan 8.360 nan 0.000 0.452 127 Q N 0.744 120.326 119.800 -0.363 0.000 2.079 127 Q HA -0.117 4.222 4.340 -0.001 0.000 0.200 127 Q C 2.089 177.937 176.000 -0.253 0.000 0.974 127 Q CA 1.143 56.702 55.803 -0.407 0.000 0.840 127 Q CB -0.152 28.014 28.738 -0.953 0.000 0.898 127 Q HN 0.097 nan 8.270 nan 0.000 0.430 128 V N 1.268 121.030 119.914 -0.254 0.000 2.287 128 V HA -0.304 3.815 4.120 -0.001 0.000 0.248 128 V C 1.775 177.852 176.094 -0.029 0.000 1.053 128 V CA 2.222 64.477 62.300 -0.074 0.000 1.027 128 V CB -0.741 31.087 31.823 0.009 0.000 0.646 128 V HN 0.420 nan 8.190 nan 0.000 0.447 129 D N -0.119 120.255 120.400 -0.045 0.000 2.106 129 D HA -0.157 4.482 4.640 -0.001 0.000 0.191 129 D C 2.299 178.585 176.300 -0.023 0.000 0.997 129 D CA 2.059 56.044 54.000 -0.026 0.000 0.834 129 D CB -0.598 40.182 40.800 -0.033 0.000 0.956 129 D HN 0.423 nan 8.370 nan 0.000 0.448 130 T N 0.497 115.034 114.554 -0.029 0.000 2.652 130 T HA -0.116 4.234 4.350 -0.001 0.000 0.267 130 T C 2.243 176.950 174.700 0.012 0.000 1.039 130 T CA 1.109 63.209 62.100 -0.000 0.000 1.153 130 T CB -0.483 68.399 68.868 0.024 0.000 0.863 130 T HN -0.031 nan 8.240 nan 0.000 0.428 131 V N 1.397 121.317 119.914 0.011 0.000 2.358 131 V HA -0.065 4.054 4.120 -0.001 0.000 0.246 131 V C 2.487 178.589 176.094 0.014 0.000 1.047 131 V CA 1.343 63.661 62.300 0.030 0.000 1.035 131 V CB -0.635 31.215 31.823 0.045 0.000 0.658 131 V HN 0.440 nan 8.190 nan 0.000 0.452 132 L N -0.260 120.959 121.223 -0.006 0.000 2.141 132 L HA -0.166 4.173 4.340 -0.001 0.000 0.209 132 L C 2.665 179.511 176.870 -0.040 0.000 1.094 132 L CA 1.352 56.170 54.840 -0.036 0.000 0.763 132 L CB -0.632 41.393 42.059 -0.056 0.000 0.908 132 L HN 0.387 nan 8.230 nan 0.000 0.437 133 Q N 0.959 120.745 119.800 -0.023 0.000 2.016 133 Q HA -0.182 4.157 4.340 -0.001 0.000 0.200 133 Q C 2.334 178.326 176.000 -0.013 0.000 0.978 133 Q CA 1.699 57.489 55.803 -0.022 0.000 0.833 133 Q CB -0.253 28.477 28.738 -0.013 0.000 0.895 133 Q HN 0.498 nan 8.270 nan 0.000 0.427 134 L N 0.336 121.562 121.223 0.006 0.000 2.042 134 L HA -0.177 4.163 4.340 -0.001 0.000 0.210 134 L C 2.354 179.245 176.870 0.035 0.000 1.076 134 L CA 1.375 56.230 54.840 0.025 0.000 0.749 134 L CB -0.501 41.580 42.059 0.037 0.000 0.893 134 L HN 0.193 nan 8.230 nan 0.000 0.432 135 A N -1.220 121.618 122.820 0.031 0.000 2.238 135 A HA -0.065 4.254 4.320 -0.001 0.000 0.208 135 A C 0.948 178.503 177.584 -0.049 0.000 1.177 135 A CA 0.263 52.328 52.037 0.046 0.000 0.804 135 A CB -0.379 18.674 19.000 0.090 0.000 0.823 135 A HN 0.562 nan 8.150 nan 0.000 0.482 136 N N -0.738 117.919 118.700 -0.071 0.000 2.705 136 N HA -0.142 4.597 4.740 -0.001 0.000 0.255 136 N C -0.904 174.480 175.510 -0.209 0.000 1.008 136 N CA 0.948 53.923 53.050 -0.125 0.000 0.742 136 N CB -1.515 36.894 38.487 -0.130 0.000 0.906 136 N HN 0.162 nan 8.380 nan 0.000 0.541 137 V N 1.193 120.989 119.914 -0.198 0.000 2.384 137 V HA 0.303 4.423 4.120 -0.001 0.000 0.287 137 V C 1.408 177.396 176.094 -0.177 0.000 1.020 137 V CA 0.148 62.294 62.300 -0.258 0.000 0.850 137 V CB 1.566 33.229 31.823 -0.266 0.000 0.987 137 V HN 0.504 nan 8.190 nan 0.000 0.436 138 S N 2.102 117.714 115.700 -0.148 0.000 2.470 138 S HA 0.184 4.653 4.470 -0.001 0.000 0.222 138 S C 0.336 174.899 174.600 -0.062 0.000 1.024 138 S CA 0.082 58.230 58.200 -0.087 0.000 0.931 138 S CB 0.260 63.431 63.200 -0.048 0.000 0.791 138 S HN 0.721 nan 8.310 nan 0.000 0.513 139 D N 0.543 120.915 120.400 -0.048 0.000 2.964 139 D HA 0.470 5.110 4.640 -0.001 0.000 0.234 139 D C -1.737 174.530 176.300 -0.055 0.000 1.223 139 D CA -0.325 53.716 54.000 0.068 0.000 0.889 139 D CB 2.712 43.720 40.800 0.348 0.000 1.609 139 D HN 0.024 nan 8.370 nan 0.000 0.523 140 V N 2.105 121.927 119.914 -0.154 0.000 2.448 140 V HA 0.267 4.386 4.120 -0.001 0.000 0.295 140 V C 0.090 176.162 176.094 -0.037 0.000 1.025 140 V CA -0.732 61.435 62.300 -0.222 0.000 0.859 140 V CB 2.041 33.527 31.823 -0.562 0.000 0.988 140 V HN 0.314 nan 8.190 nan 0.000 0.431 141 V N 6.509 126.379 119.914 -0.073 0.000 2.432 141 V HA 0.403 4.522 4.120 -0.001 0.000 0.275 141 V C 0.442 176.462 176.094 -0.123 0.000 1.043 141 V CA -0.249 62.013 62.300 -0.063 0.000 0.925 141 V CB 1.293 33.009 31.823 -0.177 0.000 0.985 141 V HN 0.803 nan 8.190 nan 0.000 0.466 142 M N 2.639 122.179 119.600 -0.101 0.000 2.219 142 M HA 0.365 4.844 4.480 -0.001 0.000 0.280 142 M C 0.136 176.281 176.300 -0.258 0.000 1.189 142 M CA -0.107 55.054 55.300 -0.232 0.000 1.010 142 M CB 0.879 33.377 32.600 -0.170 0.000 1.422 142 M HN 0.498 nan 8.290 nan 0.000 0.504 143 T N 1.618 115.963 114.554 -0.348 0.000 2.842 143 T HA 0.378 4.728 4.350 -0.001 0.000 0.308 143 T C -0.990 173.741 174.700 0.052 0.000 1.041 143 T CA -0.691 61.313 62.100 -0.159 0.000 0.964 143 T CB -0.131 68.571 68.868 -0.277 0.000 0.972 143 T HN 0.511 nan 8.240 nan 0.000 0.460 144 N N 2.711 121.473 118.700 0.102 0.000 2.476 144 N HA 0.353 5.093 4.740 -0.001 0.000 0.257 144 N C -1.291 174.267 175.510 0.080 0.000 0.970 144 N CA -0.735 52.446 53.050 0.218 0.000 0.938 144 N CB 1.181 39.774 38.487 0.177 0.000 1.144 144 N HN 0.395 nan 8.380 nan 0.000 0.500 145 D N 2.802 123.296 120.400 0.157 0.000 2.460 145 D HA 0.216 4.855 4.640 -0.001 0.000 0.232 145 D C -1.823 174.439 176.300 -0.064 0.000 1.079 145 D CA -2.431 51.633 54.000 0.108 0.000 0.864 145 D CB 1.467 42.412 40.800 0.241 0.000 1.048 145 D HN 0.286 nan 8.370 nan 0.000 0.523 146 P HA -0.027 nan 4.420 nan 0.000 0.234 146 P C 0.979 177.943 177.300 -0.559 0.000 1.167 146 P CA 0.416 62.944 63.100 -0.954 0.000 0.763 146 P CB -0.009 30.456 31.700 -2.057 0.000 0.835 147 F N -0.152 119.805 119.950 0.011 0.000 2.743 147 F HA 0.102 4.629 4.527 -0.001 0.000 0.297 147 F C 1.270 177.193 175.800 0.206 0.000 1.131 147 F CA 0.150 58.294 58.000 0.240 0.000 1.426 147 F CB -0.260 38.879 39.000 0.232 0.000 1.116 147 F HN -0.102 nan 8.300 nan 0.000 0.583 148 D N 0.997 121.555 120.400 0.263 0.000 2.325 148 D HA -0.031 4.608 4.640 -0.001 0.000 0.251 148 D C 0.406 176.807 176.300 0.168 0.000 1.196 148 D CA 0.001 54.129 54.000 0.212 0.000 0.866 148 D CB 0.884 41.797 40.800 0.188 0.000 1.101 148 D HN 0.079 nan 8.370 nan 0.000 0.476 149 D N 2.876 123.384 120.400 0.181 0.000 2.116 149 D HA -0.223 4.417 4.640 -0.001 0.000 0.193 149 D C 1.497 177.859 176.300 0.103 0.000 0.998 149 D CA 0.876 54.970 54.000 0.157 0.000 0.836 149 D CB -0.078 40.816 40.800 0.157 0.000 0.951 149 D HN 0.581 nan 8.370 nan 0.000 0.449 150 N N 0.591 119.337 118.700 0.076 0.000 2.459 150 N HA -0.125 4.614 4.740 -0.001 0.000 0.181 150 N C 1.122 176.634 175.510 0.004 0.000 1.046 150 N CA 0.578 53.645 53.050 0.028 0.000 0.904 150 N CB 0.337 38.829 38.487 0.009 0.000 0.964 150 N HN 0.323 nan 8.380 nan 0.000 0.444 151 E N 0.045 120.279 120.200 0.057 0.000 2.162 151 E HA -0.008 4.341 4.350 -0.001 0.000 0.193 151 E C 1.920 178.672 176.600 0.252 0.000 0.953 151 E CA -0.074 56.397 56.400 0.118 0.000 0.849 151 E CB 0.021 29.838 29.700 0.196 0.000 0.810 151 E HN 0.188 nan 8.360 nan 0.000 0.470 152 R N 1.275 121.906 120.500 0.220 0.000 2.117 152 R HA -0.167 4.172 4.340 -0.001 0.000 0.243 152 R C 2.230 178.678 176.300 0.246 0.000 1.143 152 R CA 1.159 57.416 56.100 0.263 0.000 0.968 152 R CB -0.240 30.113 30.300 0.089 0.000 0.863 152 R HN 0.154 nan 8.270 nan 0.000 0.444 153 I N 0.056 120.690 120.570 0.106 0.000 2.127 153 I HA -0.330 3.840 4.170 -0.001 0.000 0.241 153 I C 2.228 178.306 176.117 -0.066 0.000 1.075 153 I CA 1.625 62.937 61.300 0.021 0.000 1.334 153 I CB -0.381 37.609 38.000 -0.016 0.000 1.040 153 I HN 0.201 nan 8.210 nan 0.000 0.405 154 S N -0.155 115.414 115.700 -0.219 0.000 2.370 154 S HA -0.230 4.240 4.470 -0.001 0.000 0.226 154 S C 1.601 175.932 174.600 -0.449 0.000 1.033 154 S CA 1.610 59.485 58.200 -0.542 0.000 1.011 154 S CB -0.485 62.021 63.200 -1.156 0.000 0.852 154 S HN 0.436 nan 8.310 nan 0.000 0.457 155 W N 1.618 122.863 121.300 -0.091 0.000 2.355 155 W HA 0.012 4.671 4.660 -0.001 0.000 0.309 155 W C 2.058 178.564 176.519 -0.023 0.000 1.206 155 W CA 0.385 57.759 57.345 0.049 0.000 1.284 155 W CB -0.563 29.082 29.460 0.308 0.000 1.145 155 W HN 0.209 nan 8.180 nan 0.000 0.502 156 L N 0.076 121.428 121.223 0.215 0.000 2.201 156 L HA -0.168 4.172 4.340 -0.001 0.000 0.212 156 L C 1.824 178.692 176.870 -0.003 0.000 1.105 156 L CA 1.229 56.106 54.840 0.063 0.000 0.775 156 L CB -0.680 41.407 42.059 0.047 0.000 0.913 156 L HN 0.073 nan 8.230 nan 0.000 0.440 157 E N -0.174 120.000 120.200 -0.043 0.000 2.511 157 E HA -0.028 4.322 4.350 -0.001 0.000 0.196 157 E C 1.435 177.981 176.600 -0.090 0.000 1.066 157 E CA 0.481 56.832 56.400 -0.082 0.000 0.871 157 E CB 0.075 29.697 29.700 -0.129 0.000 0.863 157 E HN 0.571 nan 8.360 nan 0.000 0.520 158 G N 1.882 110.644 108.800 -0.063 0.000 2.176 158 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.253 158 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.253 158 G C 0.173 175.019 174.900 -0.089 0.000 0.979 158 G CA -0.116 44.958 45.100 -0.043 0.000 0.641 158 G HN 0.144 nan 8.290 nan 0.000 0.530 159 K N 0.443 120.708 120.400 -0.226 0.000 2.485 159 K HA 0.264 4.583 4.320 -0.001 0.000 0.277 159 K C 0.192 176.638 176.600 -0.257 0.000 0.990 159 K CA 0.484 56.563 56.287 -0.348 0.000 0.994 159 K CB 0.328 32.388 32.500 -0.733 0.000 0.906 159 K HN 0.203 nan 8.250 nan 0.000 0.488 160 Q N 2.399 122.135 119.800 -0.107 0.000 2.377 160 Q HA 0.407 4.747 4.340 -0.001 0.000 0.271 160 Q C -2.326 173.741 176.000 0.112 0.000 1.077 160 Q CA -2.200 53.628 55.803 0.042 0.000 0.820 160 Q CB 1.717 30.500 28.738 0.076 0.000 1.347 160 Q HN 0.431 nan 8.270 nan 0.000 0.444 161 P HA 0.018 nan 4.420 nan 0.000 0.274 161 P C -0.566 176.773 177.300 0.066 0.000 1.237 161 P CA -0.262 62.892 63.100 0.089 0.000 0.793 161 P CB 0.579 32.298 31.700 0.032 0.000 0.977 162 D N -0.478 119.951 120.400 0.048 0.000 2.369 162 D HA -0.022 4.617 4.640 -0.001 0.000 0.241 162 D C 1.143 177.497 176.300 0.090 0.000 1.271 162 D CA -0.333 53.714 54.000 0.080 0.000 0.942 162 D CB 0.005 40.855 40.800 0.083 0.000 1.129 162 D HN 0.242 nan 8.370 nan 0.000 0.476 163 S N -0.243 115.479 115.700 0.036 0.000 2.474 163 S HA -0.133 4.336 4.470 -0.001 0.000 0.235 163 S C 1.583 176.111 174.600 -0.120 0.000 0.997 163 S CA 0.287 58.464 58.200 -0.038 0.000 0.949 163 S CB -0.364 62.826 63.200 -0.017 0.000 0.766 163 S HN 0.516 nan 8.310 nan 0.000 0.517 164 R N -0.307 120.175 120.500 -0.030 0.000 2.275 164 R HA 0.294 4.633 4.340 -0.001 0.000 0.199 164 R C -0.649 175.437 176.300 -0.358 0.000 0.989 164 R CA 0.353 56.370 56.100 -0.139 0.000 1.016 164 R CB -0.005 30.214 30.300 -0.136 0.000 0.918 164 R HN 0.408 nan 8.270 nan 0.000 0.473 165 F N 0.432 120.222 119.950 -0.267 0.000 2.482 165 F HA 0.355 4.881 4.527 -0.001 0.000 0.331 165 F C 0.456 176.060 175.800 -0.327 0.000 1.115 165 F CA -0.914 56.967 58.000 -0.199 0.000 0.955 165 F CB 1.349 40.266 39.000 -0.139 0.000 1.136 165 F HN -0.081 nan 8.300 nan 0.000 0.452 166 H N 1.545 120.729 119.070 0.190 0.000 2.572 166 H HA 0.668 5.223 4.556 -0.001 0.000 0.359 166 H C -0.525 174.870 175.328 0.111 0.000 1.134 166 H CA -1.059 55.098 56.048 0.182 0.000 1.187 166 H CB 1.972 31.880 29.762 0.244 0.000 1.597 166 H HN 0.736 nan 8.280 nan 0.000 0.524 167 A N 1.561 124.518 122.820 0.229 0.000 2.340 167 A HA 0.655 4.975 4.320 -0.001 0.000 0.268 167 A C -0.230 177.303 177.584 -0.084 0.000 1.100 167 A CA -0.118 51.989 52.037 0.116 0.000 0.803 167 A CB 0.324 19.405 19.000 0.135 0.000 1.043 167 A HN 0.779 nan 8.150 nan 0.000 0.488 168 A N 1.326 124.040 122.820 -0.177 0.000 2.427 168 A HA 0.573 4.893 4.320 -0.001 0.000 0.298 168 A C -1.049 176.425 177.584 -0.183 0.000 1.036 168 A CA -0.509 51.306 52.037 -0.370 0.000 0.701 168 A CB 1.030 19.573 19.000 -0.762 0.000 1.250 168 A HN 1.432 nan 8.150 nan 0.000 0.412 169 L N 2.305 123.443 121.223 -0.142 0.000 2.295 169 L HA 0.583 4.922 4.340 -0.001 0.000 0.288 169 L C 0.339 177.222 176.870 0.021 0.000 1.079 169 L CA -0.153 54.632 54.840 -0.092 0.000 0.830 169 L CB 0.279 42.281 42.059 -0.096 0.000 1.200 169 L HN 0.686 nan 8.230 nan 0.000 0.438 170 R N 4.555 125.085 120.500 0.049 0.000 2.265 170 R HA 0.388 4.727 4.340 -0.001 0.000 0.314 170 R C -0.294 176.118 176.300 0.188 0.000 1.053 170 R CA 0.180 56.363 56.100 0.138 0.000 0.931 170 R CB 0.334 30.735 30.300 0.168 0.000 1.024 170 R HN 0.816 nan 8.270 nan 0.000 0.457 171 L N 3.427 124.771 121.223 0.201 0.000 2.959 171 L HA 0.237 4.576 4.340 -0.001 0.000 0.259 171 L C 0.320 177.272 176.870 0.137 0.000 1.185 171 L CA -0.191 54.788 54.840 0.232 0.000 0.998 171 L CB 0.492 42.683 42.059 0.220 0.000 1.337 171 L HN 0.632 nan 8.230 nan 0.000 0.555 172 D N 1.456 121.921 120.400 0.108 0.000 2.126 172 D HA -0.179 4.460 4.640 -0.001 0.000 0.190 172 D C -0.689 175.576 176.300 -0.058 0.000 1.001 172 D CA 1.651 55.685 54.000 0.055 0.000 0.841 172 D CB -1.086 39.767 40.800 0.087 0.000 0.949 172 D HN 0.222 nan 8.370 nan 0.000 0.446 173 P HA -0.083 nan 4.420 nan 0.000 0.217 173 P C 1.621 178.636 177.300 -0.476 0.000 1.150 173 P CA 0.618 63.446 63.100 -0.454 0.000 0.832 173 P CB 0.068 31.227 31.700 -0.902 0.000 0.787 174 L N -1.347 119.593 121.223 -0.471 0.000 2.027 174 L HA -0.118 4.222 4.340 -0.001 0.000 0.206 174 L C 1.934 178.819 176.870 0.025 0.000 1.074 174 L CA 2.011 56.783 54.840 -0.113 0.000 0.745 174 L CB -1.256 40.882 42.059 0.131 0.000 0.898 174 L HN -0.162 nan 8.230 nan 0.000 0.433 175 L N -0.228 121.010 121.223 0.024 0.000 2.131 175 L HA -0.030 4.309 4.340 -0.001 0.000 0.206 175 L C 2.053 178.949 176.870 0.042 0.000 1.087 175 L CA 1.275 56.138 54.840 0.038 0.000 0.767 175 L CB -1.069 41.042 42.059 0.087 0.000 0.917 175 L HN 0.336 nan 8.230 nan 0.000 0.441 176 N N -0.731 117.989 118.700 0.033 0.000 2.388 176 N HA 0.019 4.758 4.740 -0.001 0.000 0.176 176 N C 0.389 175.916 175.510 0.028 0.000 1.062 176 N CA 0.392 53.468 53.050 0.044 0.000 0.895 176 N CB 0.338 38.854 38.487 0.049 0.000 1.018 176 N HN 0.379 nan 8.380 nan 0.000 0.456 177 E N -0.644 119.555 120.200 -0.002 0.000 3.306 177 E HA 0.074 4.423 4.350 -0.001 0.000 0.197 177 E C -0.135 176.454 176.600 -0.020 0.000 0.980 177 E CA -0.235 56.154 56.400 -0.018 0.000 1.259 177 E CB 0.257 29.921 29.700 -0.060 0.000 1.112 177 E HN 0.161 nan 8.360 nan 0.000 0.458 178 Y N 1.967 122.206 120.300 -0.101 0.000 2.256 178 Y HA -0.213 4.336 4.550 -0.001 0.000 0.288 178 Y C 1.968 177.806 175.900 -0.104 0.000 1.155 178 Y CA 1.631 59.664 58.100 -0.111 0.000 1.203 178 Y CB 0.400 38.797 38.460 -0.105 0.000 0.980 178 Y HN 0.084 nan 8.280 nan 0.000 0.530 179 E N 0.059 120.219 120.200 -0.066 0.000 2.153 179 E HA -0.229 4.121 4.350 -0.001 0.000 0.194 179 E C 1.896 178.409 176.600 -0.144 0.000 0.988 179 E CA 1.666 57.998 56.400 -0.113 0.000 0.811 179 E CB -0.093 29.608 29.700 0.002 0.000 0.746 179 E HN 0.672 nan 8.360 nan 0.000 0.466 180 Q N -0.788 118.953 119.800 -0.099 0.000 2.226 180 Q HA 0.052 4.391 4.340 -0.001 0.000 0.199 180 Q C 2.125 178.055 176.000 -0.117 0.000 0.945 180 Q CA 1.198 56.986 55.803 -0.023 0.000 0.861 180 Q CB -0.147 28.582 28.738 -0.015 0.000 0.953 180 Q HN 0.076 nan 8.270 nan 0.000 0.490 181 T N 1.964 116.385 114.554 -0.221 0.000 2.951 181 T HA -0.124 4.226 4.350 -0.001 0.000 0.268 181 T C 1.525 176.023 174.700 -0.335 0.000 1.073 181 T CA 1.334 63.293 62.100 -0.236 0.000 1.134 181 T CB -0.163 68.538 68.868 -0.278 0.000 0.884 181 T HN 0.416 nan 8.240 nan 0.000 0.479 182 K N 1.052 121.057 120.400 -0.660 0.000 2.160 182 K HA -0.222 4.098 4.320 -0.001 0.000 0.206 182 K C 1.785 178.084 176.600 -0.503 0.000 1.047 182 K CA 1.618 57.450 56.287 -0.758 0.000 0.930 182 K CB -0.496 31.286 32.500 -1.197 0.000 0.720 182 K HN 0.415 nan 8.250 nan 0.000 0.450 183 H N 1.130 120.057 119.070 -0.238 0.000 2.428 183 H HA 0.058 4.613 4.556 -0.001 0.000 0.296 183 H C 2.165 177.345 175.328 -0.247 0.000 1.062 183 H CA 1.188 57.125 56.048 -0.185 0.000 1.350 183 H CB -0.045 29.627 29.762 -0.152 0.000 1.403 183 H HN 0.324 nan 8.280 nan 0.000 0.533 184 R N 0.494 120.841 120.500 -0.255 0.000 2.075 184 R HA -0.045 4.294 4.340 -0.001 0.000 0.232 184 R C 2.611 178.471 176.300 -0.733 0.000 1.126 184 R CA 0.705 56.411 56.100 -0.657 0.000 0.963 184 R CB -0.313 29.531 30.300 -0.759 0.000 0.858 184 R HN 0.210 nan 8.270 nan 0.000 0.435 185 L N 0.621 121.680 121.223 -0.275 0.000 1.990 185 L HA -0.253 4.086 4.340 -0.001 0.000 0.213 185 L C 2.671 179.677 176.870 0.226 0.000 1.072 185 L CA 1.702 56.617 54.840 0.125 0.000 0.755 185 L CB -0.631 41.471 42.059 0.072 0.000 0.889 185 L HN 0.234 nan 8.230 nan 0.000 0.432 186 R N 0.125 120.657 120.500 0.054 0.000 2.094 186 R HA -0.205 4.134 4.340 -0.001 0.000 0.239 186 R C 1.889 178.211 176.300 0.036 0.000 1.137 186 R CA 1.928 58.065 56.100 0.061 0.000 0.943 186 R CB -0.611 29.709 30.300 0.033 0.000 0.850 186 R HN 0.358 nan 8.270 nan 0.000 0.433 187 D N -0.803 119.549 120.400 -0.081 0.000 2.228 187 D HA -0.194 4.446 4.640 -0.001 0.000 0.203 187 D C 1.068 177.423 176.300 0.092 0.000 0.988 187 D CA 0.932 54.878 54.000 -0.091 0.000 0.864 187 D CB -0.079 40.543 40.800 -0.298 0.000 0.928 187 D HN 0.380 nan 8.370 nan 0.000 0.469 188 W N -0.365 121.038 121.300 0.170 0.000 3.239 188 W HA 0.434 5.094 4.660 -0.000 0.000 0.348 188 W C 1.345 177.843 176.519 -0.036 0.000 1.183 188 W CA 0.402 57.856 57.345 0.181 0.000 1.819 188 W CB -0.205 29.512 29.460 0.429 0.000 1.091 188 W HN 0.078 nan 8.180 nan 0.000 0.629 189 G N 0.055 108.917 108.800 0.104 0.000 2.157 189 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.239 189 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.239 189 G C -0.460 174.301 174.900 -0.232 0.000 0.982 189 G CA -0.410 44.626 45.100 -0.106 0.000 0.650 189 G HN 0.204 nan 8.290 nan 0.000 0.527 190 Y N 1.017 121.438 120.300 0.201 0.000 2.454 190 Y HA 0.493 5.043 4.550 -0.001 0.000 0.345 190 Y C 1.064 177.036 175.900 0.118 0.000 0.970 190 Y CA -0.608 57.602 58.100 0.183 0.000 1.204 190 Y CB 1.042 39.660 38.460 0.264 0.000 1.122 190 Y HN 0.010 nan 8.280 nan 0.000 0.514 191 K N 3.777 124.281 120.400 0.174 0.000 2.307 191 K HA 0.214 4.533 4.320 -0.001 0.000 0.240 191 K C -0.442 176.222 176.600 0.107 0.000 1.214 191 K CA -0.384 55.968 56.287 0.108 0.000 1.149 191 K CB -0.133 32.404 32.500 0.062 0.000 1.668 191 K HN 0.501 nan 8.250 nan 0.000 0.314 192 V N -0.444 119.549 119.914 0.132 0.000 2.583 192 V HA 0.243 4.362 4.120 -0.001 0.000 0.287 192 V C 0.256 176.405 176.094 0.092 0.000 1.051 192 V CA -1.053 61.323 62.300 0.128 0.000 1.010 192 V CB 0.845 32.798 31.823 0.217 0.000 0.988 192 V HN 0.336 nan 8.190 nan 0.000 0.478 193 N N 2.993 121.743 118.700 0.084 0.000 2.413 193 N HA 0.229 4.968 4.740 -0.001 0.000 0.266 193 N C 0.614 176.188 175.510 0.108 0.000 1.238 193 N CA -0.432 52.663 53.050 0.075 0.000 0.972 193 N CB 0.762 39.277 38.487 0.048 0.000 1.210 193 N HN 0.734 nan 8.380 nan 0.000 0.547 194 D N 0.527 120.982 120.400 0.092 0.000 2.117 194 D HA -0.088 4.551 4.640 -0.001 0.000 0.197 194 D C -0.136 176.253 176.300 0.148 0.000 0.987 194 D CA 1.500 55.563 54.000 0.106 0.000 0.829 194 D CB 0.056 40.907 40.800 0.085 0.000 0.961 194 D HN 0.528 nan 8.370 nan 0.000 0.460 195 E N -0.340 119.940 120.200 0.134 0.000 2.313 195 E HA 0.084 4.434 4.350 -0.001 0.000 0.272 195 E C -0.271 176.460 176.600 0.218 0.000 1.038 195 E CA -0.459 56.035 56.400 0.156 0.000 0.863 195 E CB 0.848 30.606 29.700 0.096 0.000 1.060 195 E HN 0.138 nan 8.360 nan 0.000 0.402 196 W N 5.670 127.002 121.300 0.052 0.000 2.081 196 W HA 0.077 4.737 4.660 -0.001 0.000 0.433 196 W C -0.886 175.652 176.519 0.033 0.000 0.876 196 W CA -0.392 56.977 57.345 0.040 0.000 1.631 196 W CB -0.330 29.140 29.460 0.017 0.000 1.757 196 W HN 0.615 nan 8.180 nan 0.000 0.298 197 N N 0.604 119.149 118.700 -0.258 0.000 2.815 197 N HA 0.138 4.877 4.740 -0.001 0.000 0.315 197 N C 0.771 176.062 175.510 -0.365 0.000 1.320 197 N CA -0.503 52.410 53.050 -0.229 0.000 0.846 197 N CB 0.268 38.699 38.487 -0.093 0.000 1.344 197 N HN 0.009 nan 8.380 nan 0.000 0.593 198 E N -0.457 119.615 120.200 -0.213 0.000 2.160 198 E HA -0.099 4.251 4.350 -0.001 0.000 0.195 198 E C 1.638 178.123 176.600 -0.191 0.000 0.991 198 E CA 1.515 57.802 56.400 -0.189 0.000 0.810 198 E CB -0.831 28.813 29.700 -0.094 0.000 0.742 198 E HN 0.812 nan 8.360 nan 0.000 0.466 199 G N -0.069 108.638 108.800 -0.155 0.000 2.402 199 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.216 199 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.216 199 G C 1.900 176.714 174.900 -0.143 0.000 1.162 199 G CA 0.894 45.932 45.100 -0.104 0.000 0.777 199 G HN 0.223 nan 8.290 nan 0.000 0.539 200 S N 0.370 115.911 115.700 -0.265 0.000 2.368 200 S HA -0.021 4.448 4.470 -0.001 0.000 0.224 200 S C 2.308 176.594 174.600 -0.522 0.000 1.029 200 S CA 0.740 58.740 58.200 -0.333 0.000 0.988 200 S CB -0.219 62.747 63.200 -0.390 0.000 0.838 200 S HN 0.378 nan 8.310 nan 0.000 0.462 201 I N 1.643 121.732 120.570 -0.801 0.000 2.151 201 I HA -0.261 3.908 4.170 -0.001 0.000 0.243 201 I C 2.680 178.709 176.117 -0.147 0.000 1.080 201 I CA 1.156 62.149 61.300 -0.511 0.000 1.339 201 I CB -0.372 37.390 38.000 -0.396 0.000 1.039 201 I HN 0.251 nan 8.210 nan 0.000 0.409 202 Q N 0.366 120.101 119.800 -0.109 0.000 2.084 202 Q HA -0.178 4.162 4.340 -0.001 0.000 0.202 202 Q C 2.131 178.174 176.000 0.073 0.000 0.978 202 Q CA 1.338 57.139 55.803 -0.003 0.000 0.844 202 Q CB -0.354 28.381 28.738 -0.004 0.000 0.898 202 Q HN 0.508 nan 8.270 nan 0.000 0.426 203 E N -0.063 120.189 120.200 0.088 0.000 2.152 203 E HA -0.057 4.293 4.350 -0.001 0.000 0.192 203 E C 2.171 178.928 176.600 0.261 0.000 0.983 203 E CA 0.432 56.965 56.400 0.222 0.000 0.818 203 E CB 0.058 29.898 29.700 0.233 0.000 0.758 203 E HN 0.121 nan 8.360 nan 0.000 0.467 204 V N 1.525 121.549 119.914 0.184 0.000 2.379 204 V HA -0.222 3.897 4.120 -0.001 0.000 0.245 204 V C 2.214 178.440 176.094 0.221 0.000 1.044 204 V CA 1.551 63.986 62.300 0.224 0.000 1.036 204 V CB -0.333 31.655 31.823 0.275 0.000 0.664 204 V HN 0.197 nan 8.190 nan 0.000 0.453 205 K N -0.082 120.415 120.400 0.162 0.000 2.113 205 K HA -0.250 4.069 4.320 -0.001 0.000 0.208 205 K C 2.362 179.044 176.600 0.136 0.000 1.047 205 K CA 1.795 58.161 56.287 0.132 0.000 0.928 205 K CB -0.266 32.295 32.500 0.100 0.000 0.716 205 K HN 0.303 nan 8.250 nan 0.000 0.446 206 R N 0.194 120.803 120.500 0.181 0.000 2.115 206 R HA -0.122 4.217 4.340 -0.001 0.000 0.230 206 R C 2.135 178.557 176.300 0.203 0.000 1.111 206 R CA 1.006 57.235 56.100 0.214 0.000 0.976 206 R CB -0.207 30.267 30.300 0.291 0.000 0.870 206 R HN 0.160 nan 8.270 nan 0.000 0.445 207 F N 1.233 121.129 119.950 -0.089 0.000 2.075 207 F HA -0.189 4.338 4.527 -0.001 0.000 0.297 207 F C 1.696 177.482 175.800 -0.024 0.000 1.113 207 F CA 1.593 59.352 58.000 -0.401 0.000 1.218 207 F CB -0.299 38.365 39.000 -0.561 0.000 0.984 207 F HN -0.039 nan 8.300 nan 0.000 0.472 208 L N -0.458 120.796 121.223 0.053 0.000 2.012 208 L HA -0.250 4.089 4.340 -0.001 0.000 0.210 208 L C 2.371 179.157 176.870 -0.141 0.000 1.073 208 L CA 1.922 56.737 54.840 -0.042 0.000 0.748 208 L CB -1.316 40.765 42.059 0.036 0.000 0.891 208 L HN 0.156 nan 8.230 nan 0.000 0.431 209 T N -1.092 113.404 114.554 -0.097 0.000 2.788 209 T HA -0.165 4.185 4.350 -0.001 0.000 0.268 209 T C 1.436 176.038 174.700 -0.163 0.000 1.044 209 T CA 1.398 63.421 62.100 -0.129 0.000 1.139 209 T CB -0.230 68.644 68.868 0.011 0.000 0.867 209 T HN 0.294 nan 8.240 nan 0.000 0.454 210 D N -0.053 120.232 120.400 -0.191 0.000 2.144 210 D HA -0.041 4.598 4.640 -0.001 0.000 0.200 210 D C 1.589 177.565 176.300 -0.539 0.000 0.978 210 D CA 0.813 54.617 54.000 -0.327 0.000 0.833 210 D CB -0.208 40.391 40.800 -0.334 0.000 0.961 210 D HN 0.557 nan 8.370 nan 0.000 0.470 211 W N 0.667 121.706 121.300 -0.434 0.000 2.476 211 W HA 0.168 4.827 4.660 -0.001 0.000 0.281 211 W C 2.241 178.527 176.519 -0.389 0.000 1.230 211 W CA -0.104 56.948 57.345 -0.488 0.000 1.287 211 W CB -0.178 28.883 29.460 -0.666 0.000 1.108 211 W HN -0.106 nan 8.180 nan 0.000 0.567 212 I N 0.465 120.944 120.570 -0.152 0.000 2.163 212 I HA -0.311 3.858 4.170 -0.001 0.000 0.243 212 I C 2.292 178.322 176.117 -0.146 0.000 1.085 212 I CA 1.271 62.459 61.300 -0.187 0.000 1.347 212 I CB -0.402 37.390 38.000 -0.347 0.000 1.044 212 I HN -0.072 nan 8.210 nan 0.000 0.408 213 E N 0.500 120.609 120.200 -0.152 0.000 2.072 213 E HA -0.236 4.113 4.350 -0.001 0.000 0.191 213 E C 2.143 178.681 176.600 -0.105 0.000 0.985 213 E CA 1.046 57.387 56.400 -0.097 0.000 0.801 213 E CB -0.493 29.153 29.700 -0.089 0.000 0.750 213 E HN 0.452 nan 8.360 nan 0.000 0.452 214 R N 0.030 120.416 120.500 -0.190 0.000 2.073 214 R HA 0.025 4.364 4.340 -0.001 0.000 0.234 214 R C 2.270 178.531 176.300 -0.066 0.000 1.134 214 R CA 1.457 57.459 56.100 -0.164 0.000 0.952 214 R CB 0.002 30.066 30.300 -0.393 0.000 0.850 214 R HN 0.127 nan 8.270 nan 0.000 0.433 215 M N -0.624 118.869 119.600 -0.179 0.000 2.516 215 M HA 0.013 4.493 4.480 -0.001 0.000 0.259 215 M C -0.077 176.208 176.300 -0.024 0.000 1.146 215 M CA 0.266 55.397 55.300 -0.282 0.000 1.122 215 M CB 0.552 32.849 32.600 -0.504 0.000 1.341 215 M HN 0.043 nan 8.290 nan 0.000 0.478 216 D N 1.742 122.132 120.400 -0.017 0.000 2.737 216 D HA -0.094 4.545 4.640 -0.001 0.000 0.238 216 D C -2.340 173.980 176.300 0.033 0.000 1.157 216 D CA 0.152 54.169 54.000 0.029 0.000 0.694 216 D CB -0.244 40.608 40.800 0.086 0.000 1.021 216 D HN 0.177 nan 8.370 nan 0.000 0.420 217 P HA 0.058 nan 4.420 nan 0.000 0.275 217 P C 1.412 178.692 177.300 -0.032 0.000 1.228 217 P CA -0.226 62.839 63.100 -0.060 0.000 0.786 217 P CB 1.292 32.920 31.700 -0.120 0.000 0.927 218 V N -0.033 119.845 119.914 -0.061 0.000 2.871 218 V HA 0.026 4.146 4.120 -0.001 0.000 0.256 218 V C 0.444 176.547 176.094 0.015 0.000 1.082 218 V CA 1.043 63.333 62.300 -0.016 0.000 1.105 218 V CB -1.837 30.020 31.823 0.057 0.000 0.713 218 V HN 0.643 nan 8.190 nan 0.000 0.473 219 Y N -3.283 117.024 120.300 0.012 0.000 2.677 219 Y HA 0.774 5.323 4.550 -0.001 0.000 0.334 219 Y C -0.916 174.990 175.900 0.010 0.000 1.196 219 Y CA -2.351 55.746 58.100 -0.006 0.000 1.059 219 Y CB 0.905 39.358 38.460 -0.011 0.000 1.315 219 Y HN -0.050 nan 8.280 nan 0.000 0.455 220 M N 2.299 122.073 119.600 0.289 0.000 2.363 220 M HA 0.826 5.305 4.480 -0.001 0.000 0.343 220 M C -0.520 176.041 176.300 0.435 0.000 1.165 220 M CA -0.756 54.695 55.300 0.250 0.000 1.046 220 M CB 1.985 34.665 32.600 0.133 0.000 1.648 220 M HN 0.919 nan 8.290 nan 0.000 0.452 221 A N 2.298 125.323 122.820 0.340 0.000 2.469 221 A HA 0.947 5.266 4.320 -0.001 0.000 0.299 221 A C -1.588 176.115 177.584 0.199 0.000 1.098 221 A CA -0.755 51.428 52.037 0.245 0.000 0.737 221 A CB 2.112 21.250 19.000 0.231 0.000 1.312 221 A HN 0.660 nan 8.150 nan 0.000 0.414 222 V N 0.398 120.342 119.914 0.051 0.000 3.048 222 V HA 0.681 4.800 4.120 -0.001 0.000 0.303 222 V C -0.751 175.294 176.094 -0.082 0.000 1.214 222 V CA -0.328 61.999 62.300 0.046 0.000 0.984 222 V CB 2.599 34.501 31.823 0.132 0.000 1.054 222 V HN 1.096 nan 8.190 nan 0.000 0.430 223 S N 5.821 121.525 115.700 0.007 0.000 2.525 223 S HA 0.854 5.323 4.470 -0.001 0.000 0.290 223 S C -0.829 173.795 174.600 0.040 0.000 1.152 223 S CA -0.516 57.710 58.200 0.044 0.000 1.072 223 S CB 1.279 64.625 63.200 0.243 0.000 1.027 223 S HN 0.606 nan 8.310 nan 0.000 0.500 224 L N 3.331 124.566 121.223 0.020 0.000 2.409 224 L HA 0.575 4.914 4.340 -0.001 0.000 0.262 224 L C -2.473 174.442 176.870 0.075 0.000 0.992 224 L CA -2.387 52.430 54.840 -0.039 0.000 0.817 224 L CB 2.643 44.475 42.059 -0.379 0.000 1.350 224 L HN 0.394 nan 8.230 nan 0.000 0.411 225 P HA 0.237 nan 4.420 nan 0.000 0.276 225 P C -2.459 174.913 177.300 0.120 0.000 1.261 225 P CA -1.613 61.557 63.100 0.117 0.000 0.800 225 P CB 0.460 32.231 31.700 0.118 0.000 1.066 226 P HA -0.104 nan 4.420 nan 0.000 0.221 226 P C 1.273 178.619 177.300 0.077 0.000 1.145 226 P CA 1.856 64.984 63.100 0.047 0.000 0.795 226 P CB -0.650 31.038 31.700 -0.020 0.000 0.775 227 T N -5.068 109.539 114.554 0.088 0.000 3.148 227 T HA 0.022 4.372 4.350 -0.001 0.000 0.253 227 T C 0.434 175.201 174.700 0.112 0.000 1.134 227 T CA -0.458 61.687 62.100 0.074 0.000 1.051 227 T CB -1.173 67.727 68.868 0.053 0.000 0.959 227 T HN -0.125 nan 8.240 nan 0.000 0.525 228 F N 3.470 123.434 119.950 0.023 0.000 2.604 228 F HA 0.306 4.833 4.527 -0.001 0.000 0.393 228 F C 0.031 175.854 175.800 0.039 0.000 1.043 228 F CA -0.220 57.803 58.000 0.037 0.000 1.227 228 F CB -0.033 38.990 39.000 0.038 0.000 1.016 228 F HN 0.032 nan 8.300 nan 0.000 0.556 229 S N 6.522 121.797 115.700 -0.708 0.000 2.548 229 S HA 0.739 5.209 4.470 -0.001 0.000 0.286 229 S C -1.629 172.524 174.600 -0.744 0.000 1.098 229 S CA -0.538 57.297 58.200 -0.609 0.000 0.930 229 S CB 1.769 64.795 63.200 -0.291 0.000 1.070 229 S HN 0.557 nan 8.310 nan 0.000 0.480 230 F N 2.746 122.305 119.950 -0.652 0.000 2.622 230 F HA 0.499 5.026 4.527 -0.001 0.000 0.318 230 F C -2.814 172.711 175.800 -0.459 0.000 1.135 230 F CA -1.546 56.176 58.000 -0.463 0.000 1.015 230 F CB 1.445 40.241 39.000 -0.340 0.000 1.275 230 F HN 0.349 nan 8.300 nan 0.000 0.457 231 P HA 0.201 nan 4.420 nan 0.000 0.270 231 P C -1.579 175.264 177.300 -0.762 0.000 1.223 231 P CA 0.094 62.314 63.100 -1.467 0.000 0.785 231 P CB 0.719 31.863 31.700 -0.926 0.000 0.923 232 E N 0.324 120.153 120.200 -0.617 0.000 2.335 232 E HA 0.137 4.486 4.350 -0.001 0.000 0.280 232 E C -1.022 175.425 176.600 -0.255 0.000 0.918 232 E CA -0.544 55.656 56.400 -0.333 0.000 0.765 232 E CB 1.147 30.703 29.700 -0.240 0.000 1.218 232 E HN 0.218 nan 8.360 nan 0.000 0.425 233 E N 2.290 122.376 120.200 -0.189 0.000 1.814 233 E HA 0.197 4.546 4.350 -0.001 0.000 0.264 233 E C -0.904 175.617 176.600 -0.131 0.000 1.179 233 E CA 0.091 56.402 56.400 -0.149 0.000 0.972 233 E CB 0.536 30.170 29.700 -0.110 0.000 1.077 233 E HN 0.504 nan 8.360 nan 0.000 0.417 234 S N 1.445 117.051 115.700 -0.156 0.000 2.615 234 S HA 0.310 4.779 4.470 -0.001 0.000 0.269 234 S C 0.668 175.137 174.600 -0.219 0.000 1.161 234 S CA -0.895 57.224 58.200 -0.135 0.000 0.817 234 S CB 0.905 64.055 63.200 -0.083 0.000 1.131 234 S HN 0.125 nan 8.310 nan 0.000 0.467 235 N N 1.019 119.595 118.700 -0.207 0.000 2.149 235 N HA -0.127 4.612 4.740 -0.001 0.000 0.188 235 N C 1.679 176.980 175.510 -0.348 0.000 1.019 235 N CA 1.590 54.422 53.050 -0.364 0.000 0.857 235 N CB -0.606 37.770 38.487 -0.184 0.000 0.997 235 N HN 0.705 nan 8.380 nan 0.000 0.426 236 R N 0.422 120.837 120.500 -0.142 0.000 2.066 236 R HA -0.045 4.295 4.340 -0.001 0.000 0.232 236 R C 2.231 178.542 176.300 0.019 0.000 1.131 236 R CA 1.567 57.649 56.100 -0.029 0.000 0.955 236 R CB -0.544 29.816 30.300 0.101 0.000 0.851 236 R HN 0.214 nan 8.270 nan 0.000 0.432 237 G N 0.315 109.117 108.800 0.003 0.000 2.422 237 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.218 237 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.218 237 G C 1.393 176.290 174.900 -0.006 0.000 1.146 237 G CA 0.472 45.605 45.100 0.055 0.000 0.769 237 G HN 0.294 nan 8.290 nan 0.000 0.547 238 R N -0.234 120.128 120.500 -0.230 0.000 2.073 238 R HA 0.135 4.474 4.340 -0.001 0.000 0.229 238 R C 2.585 178.741 176.300 -0.240 0.000 1.120 238 R CA 0.867 56.761 56.100 -0.343 0.000 0.967 238 R CB -0.354 29.421 30.300 -0.876 0.000 0.862 238 R HN 0.362 nan 8.270 nan 0.000 0.436 239 I N 0.792 121.142 120.570 -0.367 0.000 2.226 239 I HA -0.287 3.883 4.170 -0.001 0.000 0.245 239 I C 2.270 178.380 176.117 -0.011 0.000 1.100 239 I CA 1.405 62.605 61.300 -0.167 0.000 1.374 239 I CB -0.248 37.604 38.000 -0.247 0.000 1.057 239 I HN 0.123 nan 8.210 nan 0.000 0.413 240 I N 0.217 120.796 120.570 0.015 0.000 2.179 240 I HA -0.299 3.870 4.170 -0.001 0.000 0.242 240 I C 2.828 178.964 176.117 0.033 0.000 1.088 240 I CA 1.334 62.626 61.300 -0.012 0.000 1.357 240 I CB -0.472 37.568 38.000 0.065 0.000 1.051 240 I HN 0.206 nan 8.210 nan 0.000 0.409 241 R N 0.951 121.591 120.500 0.233 0.000 2.070 241 R HA -0.187 4.152 4.340 -0.001 0.000 0.233 241 R C 1.670 178.096 176.300 0.210 0.000 1.137 241 R CA 2.133 58.406 56.100 0.290 0.000 0.945 241 R CB -0.103 30.390 30.300 0.320 0.000 0.845 241 R HN 0.294 nan 8.270 nan 0.000 0.430 242 D N -1.144 119.392 120.400 0.225 0.000 2.305 242 D HA 0.003 4.643 4.640 -0.001 0.000 0.206 242 D C 1.420 177.840 176.300 0.199 0.000 0.974 242 D CA 0.675 54.831 54.000 0.259 0.000 0.871 242 D CB 0.323 41.388 40.800 0.442 0.000 0.947 242 D HN 0.313 nan 8.370 nan 0.000 0.516 243 C N -0.755 118.643 119.300 0.163 0.000 2.508 243 C HA 0.287 4.746 4.460 -0.001 0.000 0.407 243 C C 2.463 177.470 174.990 0.028 0.000 1.494 243 C CA -0.467 58.623 59.018 0.120 0.000 2.531 243 C CB -0.560 27.285 27.740 0.175 0.000 2.480 243 C HN 0.195 nan 8.230 nan 0.000 0.614 244 L N 1.040 122.232 121.223 -0.051 0.000 2.044 244 L HA -0.001 4.339 4.340 -0.001 0.000 0.205 244 L C 2.362 179.100 176.870 -0.220 0.000 1.075 244 L CA 1.626 56.354 54.840 -0.186 0.000 0.747 244 L CB -0.370 41.461 42.059 -0.379 0.000 0.903 244 L HN 0.335 nan 8.230 nan 0.000 0.435 245 L N -0.260 120.829 121.223 -0.223 0.000 2.017 245 L HA -0.132 4.207 4.340 -0.001 0.000 0.208 245 L C -0.243 176.589 176.870 -0.064 0.000 1.073 245 L CA 1.225 55.936 54.840 -0.216 0.000 0.745 245 L CB -1.936 39.922 42.059 -0.334 0.000 0.894 245 L HN 0.264 nan 8.230 nan 0.000 0.432 246 P HA -0.129 nan 4.420 nan 0.000 0.215 246 P C 1.980 179.310 177.300 0.049 0.000 1.153 246 P CA 1.145 64.281 63.100 0.059 0.000 0.853 246 P CB 0.032 31.780 31.700 0.081 0.000 0.788 247 V N 0.327 120.267 119.914 0.042 0.000 2.332 247 V HA -0.275 3.844 4.120 -0.001 0.000 0.248 247 V C 2.523 178.676 176.094 0.099 0.000 1.055 247 V CA 2.309 64.664 62.300 0.091 0.000 1.038 247 V CB -1.771 30.074 31.823 0.037 0.000 0.651 247 V HN 0.105 nan 8.190 nan 0.000 0.450 248 A N -0.543 122.264 122.820 -0.022 0.000 1.908 248 A HA -0.296 4.024 4.320 -0.001 0.000 0.218 248 A C 2.301 179.872 177.584 -0.021 0.000 1.181 248 A CA 2.137 54.143 52.037 -0.052 0.000 0.627 248 A CB -0.523 18.379 19.000 -0.164 0.000 0.818 248 A HN 0.641 nan 8.150 nan 0.000 0.445 249 E N -0.219 119.970 120.200 -0.018 0.000 2.051 249 E HA -0.247 4.102 4.350 -0.001 0.000 0.192 249 E C 2.108 178.706 176.600 -0.003 0.000 0.991 249 E CA 1.525 57.919 56.400 -0.010 0.000 0.799 249 E CB -0.161 29.555 29.700 0.027 0.000 0.748 249 E HN 0.621 nan 8.360 nan 0.000 0.449 250 K N -0.416 119.994 120.400 0.017 0.000 2.032 250 K HA -0.206 4.114 4.320 -0.001 0.000 0.209 250 K C 1.649 178.170 176.600 -0.132 0.000 1.048 250 K CA 1.926 58.184 56.287 -0.047 0.000 0.927 250 K CB -0.164 32.316 32.500 -0.034 0.000 0.712 250 K HN 0.235 nan 8.250 nan 0.000 0.441 251 H N -0.061 118.986 119.070 -0.038 0.000 2.539 251 H HA 0.139 4.695 4.556 -0.001 0.000 0.267 251 H C -0.164 175.132 175.328 -0.054 0.000 0.982 251 H CA 0.604 56.628 56.048 -0.040 0.000 1.146 251 H CB -0.104 29.635 29.762 -0.039 0.000 1.382 251 H HN 0.363 nan 8.280 nan 0.000 0.577 252 N N 0.871 119.580 118.700 0.015 0.000 2.725 252 N HA -0.168 4.571 4.740 -0.001 0.000 0.251 252 N C -1.106 174.370 175.510 -0.058 0.000 1.031 252 N CA -0.275 52.747 53.050 -0.047 0.000 0.720 252 N CB -0.650 37.801 38.487 -0.061 0.000 0.930 252 N HN 0.134 nan 8.380 nan 0.000 0.543 253 I N 1.318 121.863 120.570 -0.041 0.000 2.378 253 I HA 0.421 4.590 4.170 -0.001 0.000 0.291 253 I C -1.945 174.124 176.117 -0.080 0.000 0.992 253 I CA -2.262 59.014 61.300 -0.040 0.000 1.154 253 I CB 1.060 39.055 38.000 -0.009 0.000 1.315 253 I HN 0.002 nan 8.210 nan 0.000 0.448 254 P HA 0.116 nan 4.420 nan 0.000 0.272 254 P C -0.711 176.624 177.300 0.058 0.000 1.230 254 P CA -0.123 62.927 63.100 -0.083 0.000 0.788 254 P CB 0.512 32.206 31.700 -0.010 0.000 0.949 255 F N 1.754 121.565 119.950 -0.232 0.000 2.388 255 F HA 0.606 5.132 4.527 -0.001 0.000 0.358 255 F C -0.503 175.255 175.800 -0.070 0.000 1.122 255 F CA -1.863 56.054 58.000 -0.137 0.000 1.056 255 F CB 0.200 39.074 39.000 -0.211 0.000 1.155 255 F HN 0.283 nan 8.300 nan 0.000 0.461 256 A N 8.117 130.850 122.820 -0.145 0.000 2.274 256 A HA 0.709 5.028 4.320 -0.001 0.000 0.309 256 A C -0.660 176.582 177.584 -0.570 0.000 1.226 256 A CA -0.583 51.216 52.037 -0.397 0.000 0.853 256 A CB 0.264 18.887 19.000 -0.629 0.000 1.146 256 A HN 0.795 nan 8.150 nan 0.000 0.518 257 M N 3.347 122.623 119.600 -0.540 0.000 2.190 257 M HA 0.401 4.880 4.480 -0.001 0.000 0.312 257 M C -0.876 175.144 176.300 -0.467 0.000 0.990 257 M CA 0.218 55.159 55.300 -0.599 0.000 0.927 257 M CB 1.759 33.962 32.600 -0.662 0.000 1.571 257 M HN 0.619 nan 8.290 nan 0.000 0.427 258 M N 5.264 124.569 119.600 -0.491 0.000 2.055 258 M HA 0.527 5.007 4.480 -0.001 0.000 0.346 258 M C -1.032 175.106 176.300 -0.271 0.000 1.074 258 M CA -0.225 54.661 55.300 -0.690 0.000 1.009 258 M CB 0.826 32.747 32.600 -1.132 0.000 1.423 258 M HN 0.603 nan 8.290 nan 0.000 0.410 259 I N 1.571 122.109 120.570 -0.053 0.000 2.404 259 I HA 0.642 4.811 4.170 -0.001 0.000 0.293 259 I C 0.857 177.132 176.117 0.263 0.000 0.992 259 I CA -0.192 61.142 61.300 0.057 0.000 1.149 259 I CB 1.988 39.957 38.000 -0.052 0.000 1.315 259 I HN 0.974 nan 8.210 nan 0.000 0.446 260 G N 4.026 112.943 108.800 0.195 0.000 2.273 260 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.162 260 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.162 260 G C -0.332 174.560 174.900 -0.015 0.000 1.006 260 G CA -0.292 44.854 45.100 0.077 0.000 0.704 260 G HN 0.484 nan 8.290 nan 0.000 0.487 261 V N 1.459 121.419 119.914 0.076 0.000 2.461 261 V HA 0.674 4.793 4.120 -0.001 0.000 0.275 261 V C 0.409 176.527 176.094 0.040 0.000 1.047 261 V CA -0.300 62.000 62.300 0.000 0.000 0.955 261 V CB 1.308 33.251 31.823 0.199 0.000 0.988 261 V HN 0.291 nan 8.190 nan 0.000 0.471 262 K N 6.937 127.332 120.400 -0.009 0.000 2.292 262 K HA 0.376 4.695 4.320 -0.001 0.000 0.270 262 K C -0.223 176.447 176.600 0.116 0.000 1.062 262 K CA -0.670 55.651 56.287 0.055 0.000 0.916 262 K CB 0.420 32.945 32.500 0.042 0.000 1.166 262 K HN 0.560 nan 8.250 nan 0.000 0.458 263 K N 3.288 123.763 120.400 0.124 0.000 2.326 263 K HA 0.073 4.393 4.320 -0.001 0.000 0.275 263 K C -0.059 176.616 176.600 0.124 0.000 1.018 263 K CA 0.045 56.415 56.287 0.139 0.000 0.962 263 K CB 0.645 33.222 32.500 0.128 0.000 0.953 263 K HN 0.665 nan 8.250 nan 0.000 0.475 264 R N -0.068 120.511 120.500 0.131 0.000 3.333 264 R HA -0.164 4.176 4.340 -0.001 0.000 0.256 264 R C 1.130 177.494 176.300 0.107 0.000 1.010 264 R CA 0.536 56.705 56.100 0.114 0.000 0.680 264 R CB -2.343 28.011 30.300 0.091 0.000 1.102 264 R HN 0.603 nan 8.270 nan 0.000 0.440 265 V N -2.838 117.144 119.914 0.113 0.000 2.809 265 V HA -0.055 4.064 4.120 -0.001 0.000 0.256 265 V C 0.919 177.053 176.094 0.066 0.000 1.080 265 V CA 1.615 63.954 62.300 0.064 0.000 1.102 265 V CB -0.153 31.680 31.823 0.017 0.000 0.705 265 V HN 0.471 nan 8.190 nan 0.000 0.475 266 H N 0.622 119.694 119.070 0.003 0.000 2.716 266 H HA 0.464 5.020 4.556 -0.001 0.000 0.260 266 H C -2.480 172.878 175.328 0.051 0.000 1.280 266 H CA -2.507 53.545 56.048 0.007 0.000 1.506 266 H CB 1.756 31.511 29.762 -0.012 0.000 1.514 266 H HN 0.162 nan 8.280 nan 0.000 0.502 267 P HA -0.110 nan 4.420 nan 0.000 0.218 267 P C 1.305 178.691 177.300 0.143 0.000 1.148 267 P CA 1.766 64.956 63.100 0.151 0.000 0.822 267 P CB 0.274 32.042 31.700 0.113 0.000 0.784 268 A N -0.762 122.183 122.820 0.209 0.000 2.067 268 A HA -0.114 4.206 4.320 -0.001 0.000 0.219 268 A C 2.009 179.731 177.584 0.229 0.000 1.158 268 A CA 1.068 53.221 52.037 0.194 0.000 0.661 268 A CB -1.499 17.644 19.000 0.238 0.000 0.801 268 A HN 0.161 nan 8.150 nan 0.000 0.452 269 L N -1.142 120.092 121.223 0.019 0.000 2.610 269 L HA 0.098 4.437 4.340 -0.001 0.000 0.232 269 L C 1.875 178.906 176.870 0.267 0.000 1.149 269 L CA 0.297 55.202 54.840 0.109 0.000 0.872 269 L CB -0.965 41.004 42.059 -0.149 0.000 0.992 269 L HN 0.641 nan 8.230 nan 0.000 0.447 270 G N 0.830 109.706 108.800 0.128 0.000 2.611 270 G HA2 -0.411 3.548 3.960 -0.001 0.000 0.301 270 G HA3 -0.411 3.548 3.960 -0.001 0.000 0.301 270 G C 0.543 175.468 174.900 0.043 0.000 1.233 270 G CA 0.452 45.564 45.100 0.019 0.000 0.993 270 G HN 0.279 nan 8.290 nan 0.000 0.553 271 D N 1.106 121.506 120.400 -0.001 0.000 2.265 271 D HA 0.117 4.757 4.640 -0.001 0.000 0.208 271 D C 2.515 178.698 176.300 -0.195 0.000 0.977 271 D CA 1.671 55.574 54.000 -0.161 0.000 0.871 271 D CB -0.551 40.081 40.800 -0.279 0.000 0.925 271 D HN 0.831 nan 8.370 nan 0.000 0.485 272 A N 0.190 123.069 122.820 0.098 0.000 2.238 272 A HA 0.264 4.584 4.320 -0.001 0.000 0.208 272 A C 1.930 179.624 177.584 0.183 0.000 1.177 272 A CA 0.775 52.956 52.037 0.239 0.000 0.804 272 A CB -0.165 18.983 19.000 0.246 0.000 0.823 272 A HN 0.213 nan 8.150 nan 0.000 0.482 273 G N -0.682 108.207 108.800 0.148 0.000 3.337 273 G HA2 0.281 4.241 3.960 -0.001 0.000 0.246 273 G HA3 0.281 4.241 3.960 -0.001 0.000 0.246 273 G C -0.501 174.504 174.900 0.174 0.000 1.131 273 G CA -0.182 45.002 45.100 0.140 0.000 0.773 273 G HN 0.288 nan 8.290 nan 0.000 0.544 274 D N -0.050 120.493 120.400 0.239 0.000 2.193 274 D HA 0.534 5.173 4.640 -0.001 0.000 0.249 274 D C -0.759 175.663 176.300 0.203 0.000 1.034 274 D CA -0.357 53.785 54.000 0.237 0.000 0.902 274 D CB 2.115 43.132 40.800 0.361 0.000 1.182 274 D HN -0.016 nan 8.370 nan 0.000 0.436 275 F N 1.167 121.069 119.950 -0.079 0.000 2.697 275 F HA 0.662 5.188 4.527 -0.001 0.000 0.386 275 F C -1.016 174.650 175.800 -0.224 0.000 1.154 275 F CA -1.249 56.628 58.000 -0.205 0.000 1.108 275 F CB 1.063 39.968 39.000 -0.159 0.000 1.429 275 F HN 0.090 nan 8.300 nan 0.000 0.509 276 V N 0.686 120.018 119.914 -0.970 0.000 2.962 276 V HA 0.922 5.042 4.120 -0.001 0.000 0.313 276 V C -0.830 174.750 176.094 -0.857 0.000 1.099 276 V CA -0.008 61.831 62.300 -0.768 0.000 0.971 276 V CB 1.679 33.117 31.823 -0.641 0.000 1.028 276 V HN 1.096 nan 8.190 nan 0.000 0.430 277 G N 3.131 111.668 108.800 -0.439 0.000 2.696 277 G HA2 0.450 4.410 3.960 -0.001 0.000 0.295 277 G HA3 0.450 4.410 3.960 -0.001 0.000 0.295 277 G C -1.513 173.281 174.900 -0.176 0.000 1.398 277 G CA -0.851 44.061 45.100 -0.313 0.000 0.920 277 G HN 0.866 nan 8.290 nan 0.000 0.492 278 K N 0.434 120.753 120.400 -0.135 0.000 2.401 278 K HA 0.537 4.857 4.320 -0.001 0.000 0.278 278 K C 0.331 176.911 176.600 -0.034 0.000 1.018 278 K CA -0.130 56.114 56.287 -0.073 0.000 0.981 278 K CB 0.718 33.181 32.500 -0.061 0.000 0.933 278 K HN 0.610 nan 8.250 nan 0.000 0.477 279 A N 2.698 125.516 122.820 -0.003 0.000 2.311 279 A HA 0.310 4.629 4.320 -0.001 0.000 0.334 279 A C -0.437 177.164 177.584 0.029 0.000 1.139 279 A CA -0.606 51.451 52.037 0.033 0.000 0.830 279 A CB 1.424 20.471 19.000 0.078 0.000 1.234 279 A HN 0.727 nan 8.150 nan 0.000 0.483 280 S N 0.407 116.128 115.700 0.035 0.000 2.576 280 S HA 0.245 4.714 4.470 -0.001 0.000 0.276 280 S C 1.019 175.645 174.600 0.043 0.000 1.339 280 S CA -0.421 57.795 58.200 0.026 0.000 1.039 280 S CB 0.061 63.265 63.200 0.008 0.000 0.902 280 S HN 0.503 nan 8.310 nan 0.000 0.516 281 M N 2.758 122.378 119.600 0.034 0.000 2.556 281 M HA 0.075 4.554 4.480 -0.001 0.000 0.245 281 M C 0.866 177.190 176.300 0.040 0.000 1.128 281 M CA 0.421 55.745 55.300 0.039 0.000 1.069 281 M CB -1.375 31.245 32.600 0.033 0.000 1.469 281 M HN 0.575 nan 8.290 nan 0.000 0.494 282 D N 1.028 121.446 120.400 0.031 0.000 2.123 282 D HA -0.113 4.526 4.640 -0.001 0.000 0.196 282 D C 2.098 178.427 176.300 0.048 0.000 0.992 282 D CA 1.733 55.752 54.000 0.033 0.000 0.833 282 D CB -0.413 40.391 40.800 0.005 0.000 0.954 282 D HN 0.434 nan 8.370 nan 0.000 0.455 283 G N 0.320 109.130 108.800 0.017 0.000 2.402 283 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.216 283 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.216 283 G C 1.830 176.794 174.900 0.107 0.000 1.162 283 G CA 0.756 45.872 45.100 0.027 0.000 0.777 283 G HN 0.246 nan 8.290 nan 0.000 0.539 284 V N 0.742 120.702 119.914 0.077 0.000 2.307 284 V HA -0.170 3.949 4.120 -0.001 0.000 0.245 284 V C 2.548 178.543 176.094 -0.165 0.000 1.045 284 V CA 2.155 64.425 62.300 -0.049 0.000 1.024 284 V CB -0.470 31.328 31.823 -0.042 0.000 0.651 284 V HN 0.541 nan 8.190 nan 0.000 0.449 285 E N 0.087 120.240 120.200 -0.078 0.000 2.049 285 E HA -0.351 3.999 4.350 -0.001 0.000 0.198 285 E C 2.208 178.708 176.600 -0.167 0.000 1.007 285 E CA 2.212 58.543 56.400 -0.115 0.000 0.809 285 E CB -0.246 29.478 29.700 0.040 0.000 0.749 285 E HN 0.817 nan 8.360 nan 0.000 0.450 286 H N 0.109 119.131 119.070 -0.079 0.000 2.319 286 H HA -0.100 4.456 4.556 -0.001 0.000 0.299 286 H C 2.272 177.601 175.328 0.003 0.000 1.092 286 H CA 2.012 58.064 56.048 0.005 0.000 1.302 286 H CB -0.173 29.662 29.762 0.122 0.000 1.373 286 H HN 0.137 nan 8.280 nan 0.000 0.497 287 L N -0.182 121.088 121.223 0.078 0.000 2.012 287 L HA -0.220 4.119 4.340 -0.001 0.000 0.210 287 L C 2.558 179.211 176.870 -0.362 0.000 1.073 287 L CA 1.325 56.095 54.840 -0.117 0.000 0.748 287 L CB -0.411 41.324 42.059 -0.540 0.000 0.891 287 L HN 0.357 nan 8.230 nan 0.000 0.431 288 L N -0.814 120.011 121.223 -0.664 0.000 2.046 288 L HA -0.220 4.119 4.340 -0.001 0.000 0.208 288 L C 2.811 179.337 176.870 -0.574 0.000 1.077 288 L CA 1.239 55.644 54.840 -0.726 0.000 0.747 288 L CB -0.485 40.881 42.059 -1.155 0.000 0.896 288 L HN 0.254 nan 8.230 nan 0.000 0.432 289 R N 0.087 120.203 120.500 -0.639 0.000 2.066 289 R HA -0.130 4.210 4.340 -0.001 0.000 0.232 289 R C 2.024 178.234 176.300 -0.149 0.000 1.131 289 R CA 1.265 57.222 56.100 -0.237 0.000 0.955 289 R CB 0.059 30.290 30.300 -0.114 0.000 0.851 289 R HN 0.240 nan 8.270 nan 0.000 0.432 290 E N -0.383 119.662 120.200 -0.258 0.000 2.371 290 E HA -0.094 4.255 4.350 -0.001 0.000 0.194 290 E C -0.119 176.163 176.600 -0.529 0.000 1.012 290 E CA 0.708 56.875 56.400 -0.388 0.000 0.860 290 E CB 0.296 29.647 29.700 -0.581 0.000 0.811 290 E HN 0.452 nan 8.360 nan 0.000 0.502 291 Y N 0.672 120.999 120.300 0.044 0.000 2.553 291 Y HA 0.212 4.761 4.550 -0.001 0.000 0.369 291 Y C -1.589 174.423 175.900 0.187 0.000 0.964 291 Y CA -1.994 56.201 58.100 0.158 0.000 1.156 291 Y CB 1.121 39.758 38.460 0.295 0.000 1.218 291 Y HN -0.030 nan 8.280 nan 0.000 0.630 292 P HA -0.104 nan 4.420 nan 0.000 0.223 292 P C 0.032 177.423 177.300 0.151 0.000 1.151 292 P CA 1.345 64.545 63.100 0.166 0.000 0.787 292 P CB 0.347 32.109 31.700 0.104 0.000 0.788 293 N N -0.931 117.849 118.700 0.134 0.000 2.322 293 N HA 0.039 4.778 4.740 -0.001 0.000 0.194 293 N C 0.017 175.558 175.510 0.051 0.000 1.126 293 N CA -0.147 52.951 53.050 0.080 0.000 0.845 293 N CB -0.226 38.298 38.487 0.062 0.000 0.976 293 N HN 0.190 nan 8.380 nan 0.000 0.475 294 N N 0.449 119.206 118.700 0.095 0.000 2.370 294 N HA 0.288 5.028 4.740 -0.001 0.000 0.303 294 N C -0.940 174.454 175.510 -0.194 0.000 1.103 294 N CA -0.510 52.474 53.050 -0.111 0.000 0.848 294 N CB 1.427 39.794 38.487 -0.200 0.000 1.235 294 N HN -0.092 nan 8.380 nan 0.000 0.496 295 K N 1.267 121.422 120.400 -0.408 0.000 2.164 295 K HA 0.486 4.805 4.320 -0.001 0.000 0.258 295 K C -1.235 175.143 176.600 -0.369 0.000 0.951 295 K CA -0.443 55.682 56.287 -0.270 0.000 0.844 295 K CB 1.277 33.439 32.500 -0.563 0.000 1.099 295 K HN 0.367 nan 8.250 nan 0.000 0.435 296 F N 2.378 122.519 119.950 0.318 0.000 2.539 296 F HA 0.388 4.915 4.527 -0.001 0.000 0.318 296 F C -0.331 175.558 175.800 0.148 0.000 1.135 296 F CA -0.890 57.212 58.000 0.170 0.000 0.915 296 F CB 1.226 40.259 39.000 0.054 0.000 1.176 296 F HN 0.111 nan 8.300 nan 0.000 0.440 297 L N 4.219 125.535 121.223 0.155 0.000 2.295 297 L HA 0.770 5.109 4.340 -0.001 0.000 0.285 297 L C -0.841 176.078 176.870 0.082 0.000 1.035 297 L CA -0.797 54.062 54.840 0.031 0.000 0.806 297 L CB 1.598 43.508 42.059 -0.247 0.000 1.214 297 L HN 0.353 nan 8.230 nan 0.000 0.426 298 V N 1.922 121.883 119.914 0.077 0.000 2.709 298 V HA 0.562 4.682 4.120 -0.001 0.000 0.308 298 V C -0.293 175.508 176.094 -0.488 0.000 1.062 298 V CA -0.484 61.723 62.300 -0.155 0.000 0.901 298 V CB 2.252 33.989 31.823 -0.143 0.000 1.003 298 V HN 0.751 nan 8.190 nan 0.000 0.425 299 T N 5.323 119.422 114.554 -0.759 0.000 2.900 299 T HA 0.790 5.139 4.350 -0.001 0.000 0.295 299 T C -0.904 173.604 174.700 -0.320 0.000 1.044 299 T CA -0.416 61.216 62.100 -0.780 0.000 0.995 299 T CB 1.350 69.379 68.868 -1.399 0.000 1.072 299 T HN 0.561 nan 8.240 nan 0.000 0.473 300 M N 3.764 123.335 119.600 -0.049 0.000 2.591 300 M HA 0.454 4.934 4.480 -0.001 0.000 0.306 300 M C -0.127 176.341 176.300 0.280 0.000 1.190 300 M CA -0.824 54.553 55.300 0.129 0.000 0.889 300 M CB 2.339 34.955 32.600 0.028 0.000 1.728 300 M HN 0.492 nan 8.290 nan 0.000 0.458 301 L N 0.587 121.966 121.223 0.261 0.000 2.354 301 L HA 0.264 4.604 4.340 -0.001 0.000 0.212 301 L C 0.886 177.736 176.870 -0.034 0.000 1.091 301 L CA 1.124 55.998 54.840 0.056 0.000 0.828 301 L CB 0.327 42.247 42.059 -0.233 0.000 0.973 301 L HN 0.694 nan 8.230 nan 0.000 0.461 302 S N -0.612 115.066 115.700 -0.037 0.000 2.545 302 S HA 0.110 4.579 4.470 -0.001 0.000 0.275 302 S C 1.463 176.040 174.600 -0.038 0.000 1.299 302 S CA -0.391 57.762 58.200 -0.079 0.000 1.048 302 S CB 0.783 63.929 63.200 -0.090 0.000 0.938 302 S HN 0.384 nan 8.310 nan 0.000 0.496 303 R N 2.339 122.810 120.500 -0.048 0.000 2.105 303 R HA -0.109 4.230 4.340 -0.001 0.000 0.239 303 R C 0.948 177.236 176.300 -0.020 0.000 1.135 303 R CA 1.898 57.982 56.100 -0.026 0.000 0.967 303 R CB -0.152 30.127 30.300 -0.034 0.000 0.861 303 R HN 0.665 nan 8.270 nan 0.000 0.442 304 E N -0.386 119.794 120.200 -0.033 0.000 2.482 304 E HA -0.025 4.324 4.350 -0.001 0.000 0.196 304 E C 0.762 177.359 176.600 -0.005 0.000 1.047 304 E CA 0.646 57.031 56.400 -0.024 0.000 0.869 304 E CB 0.093 29.769 29.700 -0.039 0.000 0.836 304 E HN 0.464 nan 8.360 nan 0.000 0.520 305 N N -0.395 118.302 118.700 -0.006 0.000 2.373 305 N HA -0.041 4.699 4.740 -0.001 0.000 0.181 305 N C 1.293 176.806 175.510 0.006 0.000 1.082 305 N CA 0.003 53.054 53.050 0.003 0.000 0.885 305 N CB 0.336 38.822 38.487 -0.001 0.000 0.977 305 N HN 0.002 nan 8.380 nan 0.000 0.462 306 Q N 0.177 119.983 119.800 0.010 0.000 2.083 306 Q HA -0.160 4.179 4.340 -0.001 0.000 0.198 306 Q C 1.785 177.779 176.000 -0.011 0.000 0.969 306 Q CA 1.244 57.042 55.803 -0.008 0.000 0.838 306 Q CB -0.642 28.094 28.738 -0.002 0.000 0.900 306 Q HN 0.589 nan 8.270 nan 0.000 0.436 307 H N 1.754 120.793 119.070 -0.052 0.000 2.321 307 H HA -0.120 4.436 4.556 -0.001 0.000 0.300 307 H C 1.778 177.075 175.328 -0.052 0.000 1.087 307 H CA 1.880 57.893 56.048 -0.058 0.000 1.319 307 H CB 0.363 30.096 29.762 -0.049 0.000 1.379 307 H HN 0.489 nan 8.280 nan 0.000 0.501 308 E N 0.518 120.719 120.200 0.002 0.000 2.150 308 E HA -0.136 4.213 4.350 -0.001 0.000 0.193 308 E C 2.444 178.994 176.600 -0.082 0.000 0.985 308 E CA 0.791 57.169 56.400 -0.036 0.000 0.814 308 E CB -0.457 29.273 29.700 0.050 0.000 0.752 308 E HN 0.334 nan 8.360 nan 0.000 0.466 309 L N 1.632 122.811 121.223 -0.073 0.000 2.042 309 L HA -0.158 4.182 4.340 -0.001 0.000 0.210 309 L C 2.344 179.143 176.870 -0.119 0.000 1.076 309 L CA 1.371 56.164 54.840 -0.079 0.000 0.749 309 L CB -0.365 41.648 42.059 -0.077 0.000 0.893 309 L HN 0.041 nan 8.230 nan 0.000 0.432 310 V N -1.096 118.705 119.914 -0.188 0.000 2.332 310 V HA -0.288 3.831 4.120 -0.001 0.000 0.248 310 V C 2.489 178.455 176.094 -0.213 0.000 1.055 310 V CA 1.721 63.883 62.300 -0.231 0.000 1.038 310 V CB -0.637 31.000 31.823 -0.310 0.000 0.651 310 V HN 0.376 nan 8.190 nan 0.000 0.450 311 V N -0.513 119.245 119.914 -0.261 0.000 2.427 311 V HA -0.203 3.917 4.120 -0.001 0.000 0.248 311 V C 2.325 178.367 176.094 -0.086 0.000 1.051 311 V CA 1.678 63.866 62.300 -0.186 0.000 1.048 311 V CB -0.565 31.152 31.823 -0.176 0.000 0.666 311 V HN 0.471 nan 8.190 nan 0.000 0.456 312 L N 0.978 122.176 121.223 -0.042 0.000 2.083 312 L HA -0.049 4.290 4.340 -0.001 0.000 0.209 312 L C 2.494 179.421 176.870 0.095 0.000 1.083 312 L CA 2.182 57.060 54.840 0.064 0.000 0.752 312 L CB -0.960 41.145 42.059 0.076 0.000 0.899 312 L HN 0.234 nan 8.230 nan 0.000 0.433 313 A N -0.503 122.330 122.820 0.021 0.000 1.940 313 A HA -0.241 4.078 4.320 -0.001 0.000 0.219 313 A C 2.378 179.961 177.584 -0.002 0.000 1.176 313 A CA 1.766 53.817 52.037 0.024 0.000 0.631 313 A CB -0.563 18.419 19.000 -0.030 0.000 0.814 313 A HN 0.496 nan 8.150 nan 0.000 0.446 314 R N -0.536 119.931 120.500 -0.053 0.000 2.159 314 R HA -0.102 4.237 4.340 -0.001 0.000 0.237 314 R C 1.649 177.878 176.300 -0.118 0.000 1.131 314 R CA 1.310 57.364 56.100 -0.076 0.000 0.982 314 R CB -0.123 30.121 30.300 -0.093 0.000 0.868 314 R HN 0.353 nan 8.270 nan 0.000 0.453 315 K N -0.292 120.007 120.400 -0.169 0.000 2.211 315 K HA 0.062 4.381 4.320 -0.001 0.000 0.201 315 K C 0.066 176.246 176.600 -0.700 0.000 1.052 315 K CA 0.749 56.755 56.287 -0.468 0.000 0.973 315 K CB 0.358 32.466 32.500 -0.653 0.000 0.766 315 K HN 0.025 nan 8.250 nan 0.000 0.466 316 F N 0.700 120.658 119.950 0.014 0.000 2.499 316 F HA 0.130 4.656 4.527 -0.001 0.000 0.333 316 F C 1.179 177.025 175.800 0.075 0.000 1.138 316 F CA -0.821 57.206 58.000 0.045 0.000 0.945 316 F CB 1.812 40.839 39.000 0.045 0.000 1.181 316 F HN -0.147 nan 8.300 nan 0.000 0.435 317 S N 0.244 116.091 115.700 0.244 0.000 2.489 317 S HA -0.149 4.321 4.470 -0.001 0.000 0.228 317 S C 1.273 176.069 174.600 0.327 0.000 0.995 317 S CA 0.823 59.156 58.200 0.222 0.000 0.934 317 S CB -0.416 62.881 63.200 0.161 0.000 0.771 317 S HN 0.701 nan 8.310 nan 0.000 0.522 318 N N 1.210 120.133 118.700 0.371 0.000 2.449 318 N HA 0.096 4.836 4.740 -0.001 0.000 0.191 318 N C -0.078 175.770 175.510 0.565 0.000 1.161 318 N CA -0.148 53.171 53.050 0.448 0.000 0.863 318 N CB -0.359 38.348 38.487 0.367 0.000 0.980 318 N HN 0.444 nan 8.380 nan 0.000 0.458 319 L N 0.821 122.275 121.223 0.385 0.000 2.307 319 L HA 0.586 4.925 4.340 -0.001 0.000 0.284 319 L C -0.872 175.966 176.870 -0.053 0.000 1.023 319 L CA -0.751 54.220 54.840 0.218 0.000 0.810 319 L CB 1.608 43.756 42.059 0.149 0.000 1.231 319 L HN 0.069 nan 8.230 nan 0.000 0.423 320 M N 7.199 126.580 119.600 -0.364 0.000 2.134 320 M HA 0.517 4.996 4.480 -0.001 0.000 0.310 320 M C -1.026 175.151 176.300 -0.205 0.000 0.966 320 M CA -0.732 54.215 55.300 -0.588 0.000 0.922 320 M CB 1.084 32.787 32.600 -1.495 0.000 1.537 320 M HN 0.512 nan 8.290 nan 0.000 0.424 321 I N 2.703 123.230 120.570 -0.070 0.000 2.499 321 I HA 0.776 4.946 4.170 -0.001 0.000 0.296 321 I C -1.396 174.795 176.117 0.123 0.000 0.992 321 I CA -0.697 60.598 61.300 -0.008 0.000 1.297 321 I CB 1.033 38.996 38.000 -0.060 0.000 1.410 321 I HN 0.791 nan 8.210 nan 0.000 0.507 322 F N 2.926 122.836 119.950 -0.068 0.000 2.581 322 F HA 0.893 5.420 4.527 -0.001 0.000 0.311 322 F C -0.000 175.849 175.800 0.082 0.000 1.113 322 F CA -0.270 57.719 58.000 -0.019 0.000 0.935 322 F CB 1.001 39.918 39.000 -0.137 0.000 1.232 322 F HN 1.083 nan 8.300 nan 0.000 0.445 323 G N 1.007 109.974 108.800 0.278 0.000 2.860 323 G HA2 -0.109 3.850 3.960 -0.001 0.000 0.553 323 G HA3 -0.109 3.850 3.960 -0.001 0.000 0.553 323 G C -1.333 173.668 174.900 0.167 0.000 1.439 323 G CA -0.633 44.690 45.100 0.372 0.000 0.879 323 G HN 1.304 nan 8.290 nan 0.000 0.545 324 C N 0.006 119.382 119.300 0.127 0.000 2.362 324 C HA 0.490 4.949 4.460 -0.001 0.000 0.309 324 C C 0.062 175.165 174.990 0.187 0.000 1.110 324 C CA -0.666 58.427 59.018 0.125 0.000 1.485 324 C CB -0.190 27.596 27.740 0.077 0.000 1.949 324 C HN 0.671 nan 8.230 nan 0.000 0.419 325 W N 4.823 126.168 121.300 0.074 0.000 2.311 325 W HA 0.467 5.126 4.660 -0.001 0.000 0.310 325 W C 0.597 177.253 176.519 0.230 0.000 1.274 325 W CA -0.026 57.424 57.345 0.175 0.000 1.215 325 W CB 0.150 29.724 29.460 0.191 0.000 1.227 325 W HN 0.875 nan 8.180 nan 0.000 0.523 326 W N 4.545 125.813 121.300 -0.054 0.000 2.207 326 W HA -0.450 4.210 4.660 -0.001 0.000 0.296 326 W C 1.254 177.538 176.519 -0.393 0.000 1.856 326 W CA 2.185 59.288 57.345 -0.403 0.000 2.040 326 W CB -2.196 26.585 29.460 -1.131 0.000 0.938 326 W HN 0.340 nan 8.180 nan 0.000 0.450 327 F N 1.088 120.967 119.950 -0.119 0.000 2.604 327 F HA -0.043 4.484 4.527 -0.001 0.000 0.298 327 F C 2.373 178.126 175.800 -0.078 0.000 1.131 327 F CA 1.655 59.526 58.000 -0.215 0.000 1.457 327 F CB -0.831 37.908 39.000 -0.434 0.000 1.095 327 F HN -0.156 nan 8.300 nan 0.000 0.574 328 M N -1.079 118.588 119.600 0.112 0.000 2.556 328 M HA 0.045 4.525 4.480 -0.001 0.000 0.245 328 M C 0.708 177.082 176.300 0.123 0.000 1.128 328 M CA 0.561 55.925 55.300 0.108 0.000 1.069 328 M CB -0.894 31.773 32.600 0.113 0.000 1.469 328 M HN -0.024 nan 8.290 nan 0.000 0.494 329 N N 2.753 121.547 118.700 0.156 0.000 3.250 329 N HA 0.099 4.838 4.740 -0.001 0.000 0.307 329 N C -1.227 174.393 175.510 0.183 0.000 1.355 329 N CA 0.100 53.243 53.050 0.155 0.000 1.192 329 N CB -0.065 38.524 38.487 0.170 0.000 1.478 329 N HN 0.159 nan 8.380 nan 0.000 0.543 330 N N -0.011 118.777 118.700 0.148 0.000 2.225 330 N HA 0.272 5.011 4.740 -0.001 0.000 0.298 330 N C -2.042 173.533 175.510 0.109 0.000 1.076 330 N CA -1.265 51.871 53.050 0.143 0.000 0.792 330 N CB 2.333 40.893 38.487 0.122 0.000 1.498 330 N HN -0.035 nan 8.380 nan 0.000 0.474 331 P HA -0.220 nan 4.420 nan 0.000 0.217 331 P C 1.167 178.504 177.300 0.061 0.000 1.158 331 P CA 1.605 64.754 63.100 0.080 0.000 0.887 331 P CB 0.526 32.261 31.700 0.059 0.000 0.792 332 E N -0.800 119.430 120.200 0.050 0.000 2.110 332 E HA -0.160 4.189 4.350 -0.001 0.000 0.193 332 E C 1.784 178.405 176.600 0.036 0.000 0.988 332 E CA 1.278 57.699 56.400 0.035 0.000 0.804 332 E CB -0.764 28.951 29.700 0.025 0.000 0.745 332 E HN 0.066 nan 8.360 nan 0.000 0.458 333 I N 0.387 120.984 120.570 0.045 0.000 2.339 333 I HA -0.107 4.063 4.170 -0.001 0.000 0.245 333 I C 2.374 178.521 176.117 0.050 0.000 1.096 333 I CA 0.718 62.044 61.300 0.043 0.000 1.408 333 I CB -0.969 37.060 38.000 0.048 0.000 1.092 333 I HN 0.187 nan 8.210 nan 0.000 0.423 334 I N 1.434 122.044 120.570 0.066 0.000 2.194 334 I HA -0.372 3.797 4.170 -0.001 0.000 0.246 334 I C 2.395 178.552 176.117 0.067 0.000 1.093 334 I CA 1.902 63.246 61.300 0.073 0.000 1.355 334 I CB -0.575 37.477 38.000 0.086 0.000 1.046 334 I HN 0.319 nan 8.210 nan 0.000 0.413 335 N N 1.125 119.862 118.700 0.061 0.000 2.058 335 N HA -0.261 4.478 4.740 -0.001 0.000 0.191 335 N C 1.852 177.384 175.510 0.037 0.000 1.037 335 N CA 1.978 55.061 53.050 0.054 0.000 0.848 335 N CB -0.183 38.332 38.487 0.047 0.000 1.021 335 N HN 0.523 nan 8.380 nan 0.000 0.422 336 E N -0.122 120.094 120.200 0.027 0.000 2.077 336 E HA -0.231 4.118 4.350 -0.001 0.000 0.193 336 E C 2.039 178.641 176.600 0.003 0.000 0.989 336 E CA 1.174 57.582 56.400 0.013 0.000 0.800 336 E CB -0.400 29.305 29.700 0.010 0.000 0.746 336 E HN 0.434 nan 8.360 nan 0.000 0.452 337 M N 0.893 120.497 119.600 0.007 0.000 2.099 337 M HA -0.102 4.378 4.480 -0.001 0.000 0.262 337 M C 2.332 178.600 176.300 -0.053 0.000 1.067 337 M CA 2.064 57.352 55.300 -0.020 0.000 1.124 337 M CB -0.245 32.357 32.600 0.003 0.000 1.353 337 M HN 0.166 nan 8.290 nan 0.000 0.410 338 T N 0.033 114.593 114.554 0.011 0.000 2.788 338 T HA -0.115 4.234 4.350 -0.001 0.000 0.268 338 T C 1.814 176.512 174.700 -0.003 0.000 1.044 338 T CA 1.181 63.315 62.100 0.056 0.000 1.139 338 T CB -0.237 68.716 68.868 0.142 0.000 0.867 338 T HN 0.364 nan 8.240 nan 0.000 0.454 339 R N 0.482 120.980 120.500 -0.005 0.000 2.066 339 R HA 0.090 4.430 4.340 -0.001 0.000 0.232 339 R C 2.652 178.914 176.300 -0.063 0.000 1.131 339 R CA 1.293 57.383 56.100 -0.017 0.000 0.955 339 R CB -0.339 29.960 30.300 -0.000 0.000 0.851 339 R HN 0.385 nan 8.270 nan 0.000 0.432 340 M N -0.045 119.512 119.600 -0.073 0.000 2.108 340 M HA -0.195 4.285 4.480 -0.001 0.000 0.261 340 M C 2.293 178.471 176.300 -0.203 0.000 1.066 340 M CA 1.782 57.031 55.300 -0.086 0.000 1.107 340 M CB -0.313 32.265 32.600 -0.036 0.000 1.356 340 M HN 0.101 nan 8.290 nan 0.000 0.406 341 R N -0.172 120.120 120.500 -0.347 0.000 2.073 341 R HA -0.108 4.232 4.340 -0.001 0.000 0.234 341 R C 2.242 178.186 176.300 -0.593 0.000 1.134 341 R CA 1.650 57.334 56.100 -0.694 0.000 0.952 341 R CB -0.365 29.137 30.300 -1.330 0.000 0.850 341 R HN 0.366 nan 8.270 nan 0.000 0.433 342 M N 0.838 120.242 119.600 -0.327 0.000 2.175 342 M HA -0.155 4.324 4.480 -0.001 0.000 0.264 342 M C 1.570 177.835 176.300 -0.059 0.000 1.063 342 M CA 1.701 56.989 55.300 -0.019 0.000 1.119 342 M CB 0.148 32.803 32.600 0.093 0.000 1.377 342 M HN 0.090 nan 8.290 nan 0.000 0.415 343 E N -0.257 119.892 120.200 -0.085 0.000 2.110 343 E HA -0.206 4.143 4.350 -0.001 0.000 0.193 343 E C 1.745 178.302 176.600 -0.072 0.000 0.988 343 E CA 1.471 57.833 56.400 -0.064 0.000 0.804 343 E CB -0.059 29.613 29.700 -0.048 0.000 0.745 343 E HN 0.588 nan 8.360 nan 0.000 0.458 344 M N -0.542 118.994 119.600 -0.107 0.000 2.461 344 M HA 0.123 4.602 4.480 -0.001 0.000 0.255 344 M C 1.181 177.424 176.300 -0.095 0.000 1.137 344 M CA 0.401 55.638 55.300 -0.105 0.000 1.086 344 M CB 0.803 33.318 32.600 -0.141 0.000 1.356 344 M HN 0.052 nan 8.290 nan 0.000 0.487 345 L N -1.442 119.723 121.223 -0.096 0.000 3.086 345 L HA 0.397 4.736 4.340 -0.001 0.000 0.274 345 L C 1.226 178.132 176.870 0.060 0.000 1.184 345 L CA -0.035 54.788 54.840 -0.029 0.000 1.002 345 L CB 0.297 42.325 42.059 -0.053 0.000 1.383 345 L HN 0.432 nan 8.230 nan 0.000 0.582 346 G N 1.855 110.683 108.800 0.047 0.000 2.561 346 G HA2 -0.417 3.543 3.960 -0.001 0.000 0.289 346 G HA3 -0.417 3.543 3.960 -0.001 0.000 0.289 346 G C 0.705 175.715 174.900 0.183 0.000 1.169 346 G CA 0.663 45.803 45.100 0.067 0.000 0.980 346 G HN 0.305 nan 8.290 nan 0.000 0.550 347 T N -1.923 112.699 114.554 0.113 0.000 3.145 347 T HA 0.490 4.839 4.350 -0.001 0.000 0.255 347 T C 1.423 176.144 174.700 0.035 0.000 1.039 347 T CA 1.165 63.292 62.100 0.045 0.000 0.928 347 T CB 0.039 68.899 68.868 -0.012 0.000 1.029 347 T HN 1.701 nan 8.240 nan 0.000 0.554 348 S N 1.533 117.335 115.700 0.171 0.000 2.994 348 S HA 0.518 4.987 4.470 -0.001 0.000 0.247 348 S C -0.076 174.659 174.600 0.224 0.000 1.323 348 S CA -1.133 57.147 58.200 0.133 0.000 1.246 348 S CB -1.540 61.719 63.200 0.099 0.000 0.994 348 S HN 0.687 nan 8.310 nan 0.000 0.484 349 F N -2.157 117.761 119.950 -0.053 0.000 2.789 349 F HA 0.709 5.235 4.527 -0.001 0.000 0.319 349 F C -1.476 174.291 175.800 -0.055 0.000 1.168 349 F CA -1.841 56.119 58.000 -0.067 0.000 0.934 349 F CB 0.840 39.802 39.000 -0.063 0.000 1.375 349 F HN -0.078 nan 8.300 nan 0.000 0.480 350 I N 2.704 123.275 120.570 0.003 0.000 2.371 350 I HA 0.301 4.471 4.170 -0.001 0.000 0.282 350 I C -1.735 174.398 176.117 0.026 0.000 1.031 350 I CA -1.922 59.320 61.300 -0.098 0.000 1.180 350 I CB 1.706 39.732 38.000 0.043 0.000 1.336 350 I HN 0.424 nan 8.210 nan 0.000 0.467 351 P HA -0.129 nan 4.420 nan 0.000 0.218 351 P C 0.250 177.636 177.300 0.143 0.000 1.149 351 P CA 1.225 64.375 63.100 0.082 0.000 0.817 351 P CB 0.413 32.034 31.700 -0.131 0.000 0.785 352 Q N -0.922 118.964 119.800 0.144 0.000 2.482 352 Q HA 0.352 4.691 4.340 -0.001 0.000 0.286 352 Q C -1.204 175.004 176.000 0.347 0.000 1.007 352 Q CA -0.748 55.156 55.803 0.167 0.000 0.801 352 Q CB 1.226 29.973 28.738 0.015 0.000 1.455 352 Q HN 0.220 nan 8.270 nan 0.000 0.398 353 H N -0.804 118.328 119.070 0.102 0.000 2.985 353 H HA 0.531 5.086 4.556 -0.001 0.000 0.360 353 H C -0.441 174.811 175.328 -0.127 0.000 1.221 353 H CA -0.177 55.963 56.048 0.153 0.000 1.121 353 H CB 1.381 31.292 29.762 0.248 0.000 1.854 353 H HN 0.662 nan 8.280 nan 0.000 0.551 354 S N -0.675 114.951 115.700 -0.124 0.000 2.456 354 S HA -0.080 4.390 4.470 -0.001 0.000 0.224 354 S C 0.510 175.009 174.600 -0.168 0.000 1.035 354 S CA 0.731 58.714 58.200 -0.362 0.000 0.940 354 S CB -0.290 62.730 63.200 -0.301 0.000 0.799 354 S HN 0.743 nan 8.310 nan 0.000 0.508 355 D N 1.569 122.027 120.400 0.097 0.000 2.882 355 D HA -0.154 4.485 4.640 -0.001 0.000 0.229 355 D C 0.180 176.517 176.300 0.062 0.000 1.167 355 D CA 0.893 54.999 54.000 0.178 0.000 0.759 355 D CB -1.458 39.557 40.800 0.358 0.000 1.088 355 D HN 0.770 nan 8.370 nan 0.000 0.425 356 A N 0.154 122.938 122.820 -0.059 0.000 2.548 356 A HA 0.133 4.452 4.320 -0.001 0.000 0.247 356 A C 1.457 179.024 177.584 -0.028 0.000 1.067 356 A CA 0.456 52.416 52.037 -0.129 0.000 0.757 356 A CB 0.390 19.314 19.000 -0.127 0.000 0.996 356 A HN 0.343 nan 8.150 nan 0.000 0.504 357 R N 1.456 121.915 120.500 -0.069 0.000 2.237 357 R HA 0.163 4.503 4.340 -0.001 0.000 0.195 357 R C -0.508 175.807 176.300 0.024 0.000 0.956 357 R CA 0.433 56.559 56.100 0.044 0.000 1.029 357 R CB 0.382 30.755 30.300 0.122 0.000 0.972 357 R HN 0.521 nan 8.270 nan 0.000 0.493 358 V N 1.578 121.436 119.914 -0.093 0.000 2.487 358 V HA 0.034 4.153 4.120 -0.001 0.000 0.298 358 V C 0.820 176.920 176.094 0.011 0.000 1.028 358 V CA -0.446 61.844 62.300 -0.017 0.000 0.860 358 V CB 1.944 33.713 31.823 -0.089 0.000 0.991 358 V HN 0.049 nan 8.190 nan 0.000 0.427 359 L N 4.502 125.801 121.223 0.126 0.000 2.010 359 L HA -0.186 4.153 4.340 -0.001 0.000 0.219 359 L C 2.137 179.059 176.870 0.086 0.000 1.077 359 L CA 2.267 57.180 54.840 0.123 0.000 0.773 359 L CB -0.395 41.763 42.059 0.165 0.000 0.892 359 L HN 0.806 nan 8.230 nan 0.000 0.436 360 E N -0.624 119.650 120.200 0.122 0.000 2.333 360 E HA -0.206 4.143 4.350 -0.001 0.000 0.198 360 E C 2.136 178.766 176.600 0.049 0.000 1.007 360 E CA 0.890 57.362 56.400 0.121 0.000 0.845 360 E CB -0.252 29.562 29.700 0.190 0.000 0.766 360 E HN 0.655 nan 8.360 nan 0.000 0.507 361 Q N -0.058 119.715 119.800 -0.046 0.000 2.291 361 Q HA -0.100 4.239 4.340 -0.001 0.000 0.206 361 Q C 1.886 177.707 176.000 -0.298 0.000 0.976 361 Q CA 0.656 56.327 55.803 -0.221 0.000 0.875 361 Q CB -0.142 28.348 28.738 -0.414 0.000 0.927 361 Q HN 0.362 nan 8.270 nan 0.000 0.450 362 L N 0.250 121.416 121.223 -0.096 0.000 2.129 362 L HA -0.251 4.089 4.340 -0.001 0.000 0.212 362 L C 2.180 179.114 176.870 0.105 0.000 1.087 362 L CA 1.095 55.975 54.840 0.066 0.000 0.757 362 L CB -0.513 41.628 42.059 0.136 0.000 0.896 362 L HN 0.311 nan 8.230 nan 0.000 0.434 363 I N -0.795 119.809 120.570 0.057 0.000 2.113 363 I HA -0.340 3.829 4.170 -0.001 0.000 0.238 363 I C 2.660 178.835 176.117 0.096 0.000 1.070 363 I CA 1.826 63.188 61.300 0.104 0.000 1.332 363 I CB -0.515 37.540 38.000 0.091 0.000 1.044 363 I HN 0.283 nan 8.210 nan 0.000 0.402 364 Y N 1.360 121.594 120.300 -0.110 0.000 2.286 364 Y HA -0.003 4.546 4.550 -0.001 0.000 0.293 364 Y C 2.244 177.895 175.900 -0.415 0.000 1.124 364 Y CA 0.725 58.613 58.100 -0.353 0.000 1.178 364 Y CB -0.665 37.491 38.460 -0.507 0.000 1.010 364 Y HN -0.109 nan 8.280 nan 0.000 0.536 365 K N 0.174 120.071 120.400 -0.838 0.000 2.057 365 K HA -0.184 4.135 4.320 -0.001 0.000 0.207 365 K C 1.719 177.997 176.600 -0.537 0.000 1.049 365 K CA 1.963 57.759 56.287 -0.819 0.000 0.931 365 K CB -0.784 31.147 32.500 -0.949 0.000 0.714 365 K HN 0.535 nan 8.250 nan 0.000 0.440 366 W N 0.274 121.535 121.300 -0.064 0.000 2.453 366 W HA -0.073 4.587 4.660 -0.001 0.000 0.289 366 W C 2.448 179.038 176.519 0.118 0.000 1.215 366 W CA 0.552 57.921 57.345 0.040 0.000 1.297 366 W CB -0.428 29.035 29.460 0.005 0.000 1.113 366 W HN 0.295 nan 8.180 nan 0.000 0.551 367 H N -0.208 118.995 119.070 0.222 0.000 2.293 367 H HA -0.177 4.378 4.556 -0.001 0.000 0.300 367 H C 1.816 177.329 175.328 0.307 0.000 1.082 367 H CA 2.408 58.599 56.048 0.238 0.000 1.308 367 H CB -0.586 29.319 29.762 0.239 0.000 1.375 367 H HN 0.311 nan 8.280 nan 0.000 0.495 368 H N -0.759 118.537 119.070 0.376 0.000 2.389 368 H HA -0.043 4.513 4.556 -0.001 0.000 0.299 368 H C 2.521 177.951 175.328 0.169 0.000 1.081 368 H CA 0.857 57.078 56.048 0.289 0.000 1.345 368 H CB 0.433 30.358 29.762 0.272 0.000 1.393 368 H HN 0.268 nan 8.280 nan 0.000 0.520 369 S N 0.430 116.280 115.700 0.251 0.000 2.371 369 S HA -0.072 4.398 4.470 -0.001 0.000 0.224 369 S C 1.916 176.674 174.600 0.263 0.000 1.029 369 S CA 0.726 59.037 58.200 0.184 0.000 0.978 369 S CB 0.068 63.294 63.200 0.044 0.000 0.833 369 S HN 0.332 nan 8.310 nan 0.000 0.466 370 K N 1.492 122.074 120.400 0.304 0.000 2.103 370 K HA -0.110 4.210 4.320 -0.001 0.000 0.207 370 K C 2.543 179.244 176.600 0.169 0.000 1.048 370 K CA 1.612 58.063 56.287 0.274 0.000 0.930 370 K CB -0.282 32.296 32.500 0.129 0.000 0.716 370 K HN 0.478 nan 8.250 nan 0.000 0.444 371 S N 1.127 116.888 115.700 0.101 0.000 2.368 371 S HA -0.147 4.322 4.470 -0.001 0.000 0.225 371 S C 2.037 176.698 174.600 0.103 0.000 1.030 371 S CA 1.032 59.270 58.200 0.064 0.000 0.999 371 S CB -0.592 62.626 63.200 0.031 0.000 0.844 371 S HN 0.200 nan 8.310 nan 0.000 0.459 372 I N 1.589 122.235 120.570 0.127 0.000 2.142 372 I HA -0.125 4.045 4.170 -0.001 0.000 0.240 372 I C 2.487 178.686 176.117 0.137 0.000 1.078 372 I CA 1.415 62.787 61.300 0.120 0.000 1.343 372 I CB -0.482 37.589 38.000 0.119 0.000 1.046 372 I HN 0.262 nan 8.210 nan 0.000 0.405 373 I N 0.958 121.639 120.570 0.184 0.000 2.264 373 I HA -0.302 3.868 4.170 -0.001 0.000 0.248 373 I C 2.815 179.048 176.117 0.193 0.000 1.111 373 I CA 1.331 62.753 61.300 0.204 0.000 1.382 373 I CB -0.506 37.675 38.000 0.300 0.000 1.060 373 I HN 0.206 nan 8.210 nan 0.000 0.418 374 A N 0.584 123.519 122.820 0.191 0.000 1.902 374 A HA -0.240 4.080 4.320 -0.001 0.000 0.217 374 A C 2.201 179.862 177.584 0.129 0.000 1.181 374 A CA 1.811 53.943 52.037 0.159 0.000 0.623 374 A CB -0.582 18.489 19.000 0.119 0.000 0.818 374 A HN 0.456 nan 8.150 nan 0.000 0.443 375 E N -0.424 119.840 120.200 0.107 0.000 2.077 375 E HA -0.128 4.221 4.350 -0.001 0.000 0.193 375 E C 1.992 178.641 176.600 0.081 0.000 0.989 375 E CA 1.340 57.792 56.400 0.087 0.000 0.800 375 E CB -0.297 29.447 29.700 0.074 0.000 0.746 375 E HN 0.404 nan 8.360 nan 0.000 0.452 376 V N 1.449 121.413 119.914 0.082 0.000 2.295 376 V HA -0.262 3.857 4.120 -0.001 0.000 0.246 376 V C 2.333 178.446 176.094 0.032 0.000 1.049 376 V CA 1.506 63.842 62.300 0.060 0.000 1.024 376 V CB -0.473 31.394 31.823 0.074 0.000 0.648 376 V HN 0.262 nan 8.190 nan 0.000 0.447 377 L N -0.718 120.533 121.223 0.048 0.000 2.042 377 L HA -0.210 4.129 4.340 -0.001 0.000 0.210 377 L C 2.378 179.292 176.870 0.073 0.000 1.076 377 L CA 1.713 56.539 54.840 -0.022 0.000 0.749 377 L CB -0.516 41.618 42.059 0.124 0.000 0.893 377 L HN 0.268 nan 8.230 nan 0.000 0.432 378 I N -0.250 120.420 120.570 0.167 0.000 2.163 378 I HA -0.342 3.827 4.170 -0.001 0.000 0.243 378 I C 2.173 178.374 176.117 0.141 0.000 1.085 378 I CA 1.412 62.829 61.300 0.195 0.000 1.347 378 I CB -0.404 37.679 38.000 0.138 0.000 1.044 378 I HN 0.271 nan 8.210 nan 0.000 0.408 379 D N 0.718 121.167 120.400 0.081 0.000 2.117 379 D HA -0.170 4.470 4.640 -0.001 0.000 0.197 379 D C 2.199 178.522 176.300 0.037 0.000 0.987 379 D CA 1.296 55.329 54.000 0.056 0.000 0.829 379 D CB -0.116 40.706 40.800 0.036 0.000 0.961 379 D HN 0.108 nan 8.370 nan 0.000 0.460 380 K N -0.267 120.120 120.400 -0.022 0.000 2.057 380 K HA -0.081 4.238 4.320 -0.001 0.000 0.206 380 K C 2.064 178.637 176.600 -0.045 0.000 1.050 380 K CA 0.711 56.947 56.287 -0.085 0.000 0.935 380 K CB -0.612 31.775 32.500 -0.188 0.000 0.715 380 K HN 0.220 nan 8.250 nan 0.000 0.439 381 Y N 0.987 121.325 120.300 0.062 0.000 2.181 381 Y HA -0.200 4.349 4.550 -0.001 0.000 0.288 381 Y C 2.128 178.076 175.900 0.080 0.000 1.146 381 Y CA 1.443 59.590 58.100 0.079 0.000 1.164 381 Y CB -0.742 37.770 38.460 0.088 0.000 0.982 381 Y HN 0.170 nan 8.280 nan 0.000 0.515 382 D N -0.220 120.316 120.400 0.227 0.000 2.117 382 D HA -0.165 4.475 4.640 -0.001 0.000 0.197 382 D C 1.571 177.941 176.300 0.118 0.000 0.987 382 D CA 1.513 55.603 54.000 0.150 0.000 0.829 382 D CB -0.150 40.717 40.800 0.111 0.000 0.961 382 D HN 0.184 nan 8.370 nan 0.000 0.460 383 D N -0.240 120.215 120.400 0.090 0.000 2.117 383 D HA -0.126 4.514 4.640 -0.001 0.000 0.197 383 D C 2.195 178.540 176.300 0.075 0.000 0.987 383 D CA 1.063 55.101 54.000 0.063 0.000 0.829 383 D CB -0.362 40.456 40.800 0.030 0.000 0.961 383 D HN 0.561 nan 8.370 nan 0.000 0.460 384 I N -2.004 118.624 120.570 0.097 0.000 2.500 384 I HA -0.090 4.080 4.170 -0.001 0.000 0.252 384 I C 2.166 178.414 176.117 0.218 0.000 1.142 384 I CA 0.602 61.973 61.300 0.118 0.000 1.451 384 I CB -0.440 37.582 38.000 0.037 0.000 1.093 384 I HN -0.107 nan 8.210 nan 0.000 0.430 385 L N 0.821 122.174 121.223 0.218 0.000 2.042 385 L HA -0.211 4.128 4.340 -0.001 0.000 0.210 385 L C 2.906 179.857 176.870 0.135 0.000 1.076 385 L CA 1.325 56.275 54.840 0.184 0.000 0.749 385 L CB -0.754 41.391 42.059 0.144 0.000 0.893 385 L HN 0.322 nan 8.230 nan 0.000 0.432 386 Q N -0.223 119.643 119.800 0.110 0.000 2.181 386 Q HA -0.149 4.190 4.340 -0.001 0.000 0.205 386 Q C 2.194 178.245 176.000 0.084 0.000 0.980 386 Q CA 1.675 57.527 55.803 0.082 0.000 0.862 386 Q CB -0.496 28.280 28.738 0.064 0.000 0.905 386 Q HN 0.540 nan 8.270 nan 0.000 0.429 387 A N -0.709 122.173 122.820 0.103 0.000 2.238 387 A HA 0.372 4.691 4.320 -0.001 0.000 0.208 387 A C 1.418 179.086 177.584 0.140 0.000 1.177 387 A CA 0.975 53.074 52.037 0.103 0.000 0.804 387 A CB -0.194 18.860 19.000 0.089 0.000 0.823 387 A HN 0.415 nan 8.150 nan 0.000 0.482 388 G N -2.605 106.286 108.800 0.152 0.000 2.175 388 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.244 388 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.244 388 G C 0.071 175.086 174.900 0.191 0.000 0.982 388 G CA 0.003 45.187 45.100 0.139 0.000 0.641 388 G HN 0.619 nan 8.290 nan 0.000 0.527 389 W N 1.536 122.858 121.300 0.036 0.000 2.170 389 W HA 0.513 5.172 4.660 -0.001 0.000 0.336 389 W C -0.156 176.383 176.519 0.035 0.000 1.283 389 W CA 0.129 57.498 57.345 0.040 0.000 1.224 389 W CB 0.580 30.073 29.460 0.056 0.000 1.132 389 W HN 0.197 nan 8.180 nan 0.000 0.571 390 E N 3.484 123.372 120.200 -0.520 0.000 2.081 390 E HA 0.207 4.556 4.350 -0.001 0.000 0.276 390 E C -0.766 175.654 176.600 -0.300 0.000 0.950 390 E CA -0.483 55.724 56.400 -0.322 0.000 0.776 390 E CB 1.782 31.288 29.700 -0.324 0.000 1.094 390 E HN 0.079 nan 8.360 nan 0.000 0.402 391 V N 3.373 123.263 119.914 -0.040 0.000 2.439 391 V HA 0.250 4.369 4.120 -0.001 0.000 0.282 391 V C 0.588 176.641 176.094 -0.068 0.000 1.039 391 V CA -0.527 61.782 62.300 0.015 0.000 0.913 391 V CB 1.435 33.279 31.823 0.034 0.000 0.983 391 V HN 0.741 nan 8.190 nan 0.000 0.460 392 T N 0.118 114.632 114.554 -0.067 0.000 2.952 392 T HA 0.380 4.730 4.350 -0.001 0.000 0.286 392 T C 0.858 175.507 174.700 -0.086 0.000 1.024 392 T CA -0.458 61.599 62.100 -0.071 0.000 1.029 392 T CB 1.853 70.690 68.868 -0.052 0.000 1.094 392 T HN 0.711 nan 8.240 nan 0.000 0.515 393 E N 0.016 120.173 120.200 -0.071 0.000 2.153 393 E HA -0.186 4.163 4.350 -0.001 0.000 0.194 393 E C 1.634 178.209 176.600 -0.041 0.000 0.988 393 E CA 1.018 57.379 56.400 -0.066 0.000 0.811 393 E CB 0.060 29.732 29.700 -0.046 0.000 0.746 393 E HN 0.640 nan 8.360 nan 0.000 0.466 394 E N 0.707 120.891 120.200 -0.026 0.000 2.106 394 E HA -0.185 4.165 4.350 -0.001 0.000 0.192 394 E C 1.887 178.494 176.600 0.013 0.000 0.984 394 E CA 1.024 57.421 56.400 -0.005 0.000 0.806 394 E CB -0.091 29.608 29.700 -0.001 0.000 0.750 394 E HN 0.441 nan 8.360 nan 0.000 0.458 395 E N 0.387 120.594 120.200 0.011 0.000 2.072 395 E HA -0.099 4.251 4.350 -0.001 0.000 0.191 395 E C 2.253 178.888 176.600 0.058 0.000 0.985 395 E CA 0.629 57.060 56.400 0.053 0.000 0.801 395 E CB -0.108 29.642 29.700 0.084 0.000 0.750 395 E HN 0.221 nan 8.360 nan 0.000 0.452 396 I N 1.219 121.767 120.570 -0.037 0.000 2.226 396 I HA -0.303 3.867 4.170 -0.001 0.000 0.245 396 I C 2.265 178.427 176.117 0.075 0.000 1.100 396 I CA 1.257 62.538 61.300 -0.033 0.000 1.374 396 I CB -0.187 37.700 38.000 -0.190 0.000 1.057 396 I HN 0.029 nan 8.210 nan 0.000 0.413 397 K N 0.272 120.695 120.400 0.039 0.000 2.057 397 K HA -0.214 4.105 4.320 -0.001 0.000 0.207 397 K C 2.284 178.929 176.600 0.075 0.000 1.049 397 K CA 1.210 57.527 56.287 0.050 0.000 0.931 397 K CB -0.215 32.299 32.500 0.023 0.000 0.714 397 K HN 0.248 nan 8.250 nan 0.000 0.440 398 R N 1.246 121.792 120.500 0.076 0.000 2.070 398 R HA -0.169 4.170 4.340 -0.001 0.000 0.233 398 R C 1.343 177.708 176.300 0.108 0.000 1.137 398 R CA 2.073 58.224 56.100 0.084 0.000 0.945 398 R CB -0.143 30.206 30.300 0.081 0.000 0.845 398 R HN 0.121 nan 8.270 nan 0.000 0.430 399 D N 0.113 120.597 120.400 0.139 0.000 2.117 399 D HA -0.123 4.517 4.640 -0.001 0.000 0.197 399 D C 2.001 178.386 176.300 0.142 0.000 0.987 399 D CA 1.140 55.230 54.000 0.149 0.000 0.829 399 D CB -0.196 40.749 40.800 0.242 0.000 0.961 399 D HN 0.113 nan 8.370 nan 0.000 0.460 400 V N 1.408 121.436 119.914 0.190 0.000 2.407 400 V HA -0.218 3.902 4.120 -0.001 0.000 0.248 400 V C 2.509 178.765 176.094 0.269 0.000 1.055 400 V CA 1.727 64.186 62.300 0.265 0.000 1.049 400 V CB -0.714 31.253 31.823 0.239 0.000 0.662 400 V HN 0.184 nan 8.190 nan 0.000 0.455 401 A N -0.341 122.578 122.820 0.166 0.000 1.930 401 A HA -0.230 4.090 4.320 -0.001 0.000 0.217 401 A C 2.002 179.665 177.584 0.131 0.000 1.175 401 A CA 1.875 53.998 52.037 0.144 0.000 0.627 401 A CB -0.549 18.510 19.000 0.098 0.000 0.815 401 A HN 0.525 nan 8.150 nan 0.000 0.443 402 D N 0.185 120.641 120.400 0.093 0.000 2.092 402 D HA -0.129 4.510 4.640 -0.001 0.000 0.193 402 D C 1.962 178.250 176.300 -0.019 0.000 0.994 402 D CA 1.233 55.263 54.000 0.050 0.000 0.828 402 D CB -0.355 40.464 40.800 0.030 0.000 0.963 402 D HN 0.451 nan 8.370 nan 0.000 0.450 403 L N -0.756 120.414 121.223 -0.087 0.000 2.056 403 L HA -0.110 4.229 4.340 -0.001 0.000 0.207 403 L C 2.074 178.729 176.870 -0.358 0.000 1.078 403 L CA 0.852 55.493 54.840 -0.332 0.000 0.749 403 L CB -0.269 41.499 42.059 -0.484 0.000 0.901 403 L HN -0.029 nan 8.230 nan 0.000 0.433 404 F N -2.325 117.603 119.950 -0.037 0.000 2.776 404 F HA 0.042 4.568 4.527 -0.001 0.000 0.300 404 F C 2.142 177.908 175.800 -0.056 0.000 1.116 404 F CA 0.512 58.478 58.000 -0.057 0.000 1.375 404 F CB 0.476 39.419 39.000 -0.094 0.000 1.109 404 F HN -0.027 nan 8.300 nan 0.000 0.585 405 S N -0.961 114.828 115.700 0.150 0.000 4.074 405 S HA 0.121 4.590 4.470 -0.001 0.000 0.220 405 S C 1.771 176.547 174.600 0.293 0.000 1.164 405 S CA -0.202 58.127 58.200 0.216 0.000 1.020 405 S CB -0.227 63.121 63.200 0.247 0.000 1.299 405 S HN 0.061 nan 8.310 nan 0.000 0.509 406 R N 1.525 122.168 120.500 0.237 0.000 2.115 406 R HA 0.136 4.475 4.340 -0.001 0.000 0.230 406 R C 1.555 177.967 176.300 0.186 0.000 1.111 406 R CA 1.477 57.725 56.100 0.246 0.000 0.976 406 R CB -0.371 30.025 30.300 0.160 0.000 0.870 406 R HN 0.371 nan 8.270 nan 0.000 0.445 407 N N 0.597 119.363 118.700 0.110 0.000 2.223 407 N HA -0.164 4.575 4.740 -0.001 0.000 0.185 407 N C 1.367 176.931 175.510 0.090 0.000 1.016 407 N CA 1.027 54.123 53.050 0.076 0.000 0.863 407 N CB -0.224 38.261 38.487 -0.003 0.000 0.983 407 N HN 0.147 nan 8.380 nan 0.000 0.429 408 F N -0.179 119.708 119.950 -0.105 0.000 2.098 408 F HA -0.045 4.482 4.527 -0.001 0.000 0.294 408 F C 1.837 177.517 175.800 -0.200 0.000 1.107 408 F CA 1.135 58.988 58.000 -0.244 0.000 1.234 408 F CB -0.632 38.067 39.000 -0.502 0.000 1.002 408 F HN -0.019 nan 8.300 nan 0.000 0.472 409 W N 0.891 122.177 121.300 -0.024 0.000 2.363 409 W HA -0.102 4.558 4.660 -0.001 0.000 0.296 409 W C 2.797 179.226 176.519 -0.150 0.000 1.212 409 W CA 1.444 58.686 57.345 -0.171 0.000 1.260 409 W CB -0.563 28.885 29.460 -0.020 0.000 1.131 409 W HN -0.045 nan 8.180 nan 0.000 0.530 410 R N -0.011 120.583 120.500 0.158 0.000 2.083 410 R HA -0.241 4.099 4.340 -0.001 0.000 0.237 410 R C 2.150 178.481 176.300 0.052 0.000 1.137 410 R CA 1.989 58.150 56.100 0.102 0.000 0.951 410 R CB -0.977 29.394 30.300 0.119 0.000 0.851 410 R HN 0.202 nan 8.270 nan 0.000 0.434 411 F N 1.074 120.943 119.950 -0.134 0.000 2.186 411 F HA -0.117 4.410 4.527 -0.001 0.000 0.299 411 F C 1.885 177.559 175.800 -0.209 0.000 1.090 411 F CA 1.511 59.420 58.000 -0.152 0.000 1.307 411 F CB -0.010 38.895 39.000 -0.159 0.000 1.019 411 F HN -0.011 nan 8.300 nan 0.000 0.489 412 V N -1.623 118.109 119.914 -0.303 0.000 3.573 412 V HA 0.377 4.497 4.120 -0.001 0.000 0.270 412 V C 1.404 177.374 176.094 -0.206 0.000 1.221 412 V CA 0.626 62.717 62.300 -0.348 0.000 1.163 412 V CB -0.859 30.655 31.823 -0.514 0.000 0.847 412 V HN 0.626 nan 8.190 nan 0.000 0.468 413 G N 1.347 110.060 108.800 -0.145 0.000 2.182 413 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.248 413 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.248 413 G C 0.216 175.114 174.900 -0.004 0.000 1.042 413 G CA 0.649 45.704 45.100 -0.076 0.000 0.775 413 G HN 1.006 nan 8.290 nan 0.000 0.501 414 R N -1.531 119.011 120.500 0.069 0.000 3.589 414 R HA 0.587 4.927 4.340 -0.001 0.000 0.210 414 R C 0.921 177.263 176.300 0.071 0.000 1.086 414 R CA -0.080 56.078 56.100 0.097 0.000 0.806 414 R CB -0.584 29.785 30.300 0.115 0.000 1.400 414 R HN 0.649 nan 8.270 nan 0.000 0.412 415 N N 1.515 120.138 118.700 -0.129 0.000 1.899 415 N HA -0.269 4.470 4.740 -0.001 0.000 0.247 415 N C -0.579 174.707 175.510 -0.373 0.000 1.379 415 N CA 1.806 54.567 53.050 -0.481 0.000 0.867 415 N CB -0.602 37.209 38.487 -1.126 0.000 0.934 415 N HN 0.602 nan 8.380 nan 0.000 0.530 416 D N 0.000 120.158 120.400 -0.403 0.000 6.856 416 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 416 D CA 0.000 53.852 54.000 -0.246 0.000 0.868 416 D CB 0.000 40.634 40.800 -0.277 0.000 0.688 416 D HN 0.000 nan 8.370 nan 0.000 0.683