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 1k25_1_C DATA FIRST_RESID 2067 DATA SEQUENCE QITRTVPAKR GTIYDRNGVP IAEDATSYNV YAVXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXTTSPNR SYPNGQFASS FIGLAQLHEN EDGSKSLLGT DATA SEQUENCE SGMESSLNSI LAGTDGIITY XXXXXGNIVP GTELVSQQTV DGKDVYTTLS DATA SEQUENCE SPLQSFMETQ MDAFLEKVKG KYMTATLVSA KTGEILATTQ RPTFNADTKE DATA SEQUENCE GITEDFVWRD ILYQSNYEPG SAMKVMTLAS SIDNNTFPSG EYFNXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX NVGMSLLEQK MGDATWLDYL DATA SEQUENCE KRFKFGVPTR FGLTDEYAGQ LPADNIVSIA QSSFGQGISV TQTQMLRAFT DATA SEQUENCE AIANDGVMLE PKFISAIYDT NNQSVRKSQK EIVGNPVSKE AASTTRNHMI DATA SEQUENCE LVGTDPLXXX XXXXXXXXXI ITVPGQNVAV KSGTAQIADE KNGGYLVGST DATA SEQUENCE NYIFSAVTMN PAENPDFILY VTVQQPEHYS GIQLGEFATP ILERASAMKE DATA SEQUENCE SLNLQSPAKN LDKVTTESSY AMPSIKDISP GELAEALRRN IVQPIVVGTG DATA SEQUENCE TKIKETSVEE GTNLAPNQQV LLLSDKVEEI PDMYGWKKET AETFAKWLDI DATA SEQUENCE ELEFEGSGSV VQKQDVRTNT AIKNIKKIKL TLGD 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 2067 Q HA 0.000 nan 4.340 nan 0.000 0.214 2067 Q C 0.000 176.001 176.000 0.002 0.000 1.003 2067 Q CA 0.000 55.805 55.803 0.003 0.000 1.022 2067 Q CB 0.000 28.739 28.738 0.002 0.000 1.108 2068 I N 1.904 122.477 120.570 0.004 0.000 2.689 2068 I HA 0.560 4.730 4.170 -0.000 0.000 0.299 2068 I C -0.319 175.800 176.117 0.004 0.000 1.059 2068 I CA -0.863 60.439 61.300 0.003 0.000 1.055 2068 I CB 2.553 40.556 38.000 0.006 0.000 1.243 2068 I HN 0.831 nan 8.210 nan 0.000 0.425 2069 T N -0.067 114.488 114.554 0.002 0.000 3.954 2069 T HA 0.336 4.686 4.350 -0.000 0.000 0.226 2069 T C 0.068 174.770 174.700 0.003 0.000 1.049 2069 T CA -0.640 61.462 62.100 0.004 0.000 1.481 2069 T CB 0.078 68.948 68.868 0.003 0.000 0.853 2069 T HN 0.753 nan 8.240 nan 0.000 0.632 2070 R N 0.724 121.227 120.500 0.005 0.000 2.504 2070 R HA 0.499 4.839 4.340 -0.000 0.000 0.291 2070 R C 0.237 176.543 176.300 0.009 0.000 0.974 2070 R CA 0.225 56.328 56.100 0.004 0.000 1.077 2070 R CB -1.080 29.227 30.300 0.011 0.000 0.926 2070 R HN 0.553 nan 8.270 nan 0.000 0.407 2071 T N 2.435 116.993 114.554 0.006 0.000 2.749 2071 T HA 0.449 4.799 4.350 -0.000 0.000 0.287 2071 T C -0.215 174.494 174.700 0.015 0.000 0.970 2071 T CA -0.498 61.609 62.100 0.010 0.000 0.980 2071 T CB 1.425 70.297 68.868 0.007 0.000 0.924 2071 T HN 0.455 nan 8.240 nan 0.000 0.456 2072 V N 7.145 127.073 119.914 0.023 0.000 2.383 2072 V HA 0.335 4.455 4.120 -0.000 0.000 0.275 2072 V C -1.800 174.311 176.094 0.028 0.000 1.036 2072 V CA -2.116 60.204 62.300 0.033 0.000 0.889 2072 V CB 0.882 32.731 31.823 0.043 0.000 0.985 2072 V HN 0.729 nan 8.190 nan 0.000 0.459 2073 P HA 0.247 nan 4.420 nan 0.000 0.269 2073 P C -0.707 176.605 177.300 0.021 0.000 1.209 2073 P CA -0.072 63.038 63.100 0.015 0.000 0.776 2073 P CB 1.190 32.891 31.700 0.002 0.000 0.876 2074 A N 3.138 125.966 122.820 0.013 0.000 2.288 2074 A HA 0.313 4.633 4.320 -0.000 0.000 0.320 2074 A C 0.329 177.916 177.584 0.006 0.000 1.217 2074 A CA -0.970 51.076 52.037 0.016 0.000 0.840 2074 A CB 0.374 19.381 19.000 0.013 0.000 1.179 2074 A HN 0.568 nan 8.150 nan 0.000 0.504 2075 K N 3.060 123.467 120.400 0.012 0.000 2.405 2075 K HA -0.055 4.265 4.320 -0.000 0.000 0.273 2075 K C 0.224 176.815 176.600 -0.015 0.000 1.116 2075 K CA 0.147 56.434 56.287 -0.000 0.000 1.155 2075 K CB 0.162 32.673 32.500 0.018 0.000 0.858 2075 K HN 0.739 nan 8.250 nan 0.000 0.477 2076 R N 3.914 124.393 120.500 -0.035 0.000 2.401 2076 R HA 0.054 4.394 4.340 -0.000 0.000 0.299 2076 R C 0.246 176.501 176.300 -0.074 0.000 1.064 2076 R CA 0.193 56.264 56.100 -0.048 0.000 1.000 2076 R CB 0.398 30.664 30.300 -0.057 0.000 0.973 2076 R HN 0.871 nan 8.270 nan 0.000 0.438 2077 G N 2.272 111.033 108.800 -0.065 0.000 2.825 2077 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.241 2077 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.241 2077 G C -0.307 174.475 174.900 -0.196 0.000 1.239 2077 G CA 0.087 45.132 45.100 -0.092 0.000 0.859 2077 G HN 0.720 nan 8.290 nan 0.000 0.598 2078 T N -2.000 112.349 114.554 -0.341 0.000 2.856 2078 T HA 0.543 4.893 4.350 -0.000 0.000 0.283 2078 T C 0.317 174.615 174.700 -0.669 0.000 1.008 2078 T CA -0.823 60.942 62.100 -0.559 0.000 0.997 2078 T CB 1.553 69.950 68.868 -0.785 0.000 0.992 2078 T HN 0.343 nan 8.240 nan 0.000 0.454 2079 I N 3.794 124.079 120.570 -0.474 0.000 2.270 2079 I HA 0.162 4.332 4.170 -0.000 0.000 0.294 2079 I C -0.285 175.654 176.117 -0.296 0.000 1.164 2079 I CA -0.652 60.462 61.300 -0.310 0.000 1.680 2079 I CB -0.770 37.128 38.000 -0.169 0.000 1.494 2079 I HN 0.625 nan 8.210 nan 0.000 0.767 2080 Y N 2.960 123.103 120.300 -0.261 0.000 2.459 2080 Y HA -0.015 4.535 4.550 -0.000 0.000 0.349 2080 Y C 1.202 177.047 175.900 -0.092 0.000 1.266 2080 Y CA -0.390 57.543 58.100 -0.278 0.000 1.483 2080 Y CB 0.213 38.275 38.460 -0.663 0.000 1.362 2080 Y HN 0.487 nan 8.280 nan 0.000 0.628 2081 D N 0.808 121.323 120.400 0.193 0.000 2.466 2081 D HA 0.123 4.762 4.640 -0.000 0.000 0.262 2081 D C 1.258 177.726 176.300 0.281 0.000 1.177 2081 D CA -0.628 53.515 54.000 0.237 0.000 1.035 2081 D CB 0.498 41.445 40.800 0.245 0.000 1.105 2081 D HN 0.629 nan 8.370 nan 0.000 0.551 2082 R N 0.464 121.125 120.500 0.269 0.000 2.165 2082 R HA -0.260 4.080 4.340 -0.000 0.000 0.254 2082 R C 0.466 176.913 176.300 0.244 0.000 1.153 2082 R CA 2.205 58.455 56.100 0.250 0.000 0.971 2082 R CB -0.459 29.961 30.300 0.199 0.000 0.878 2082 R HN 0.565 nan 8.270 nan 0.000 0.449 2083 N N -1.211 117.616 118.700 0.211 0.000 2.328 2083 N HA 0.200 4.940 4.740 -0.000 0.000 0.247 2083 N C 0.060 175.666 175.510 0.160 0.000 1.165 2083 N CA 0.232 53.378 53.050 0.159 0.000 0.873 2083 N CB 1.556 40.105 38.487 0.104 0.000 1.125 2083 N HN 0.504 nan 8.380 nan 0.000 0.513 2084 G N -0.241 108.706 108.800 0.246 0.000 2.268 2084 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.240 2084 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.240 2084 G C 0.207 175.135 174.900 0.046 0.000 1.010 2084 G CA -0.097 45.031 45.100 0.047 0.000 0.618 2084 G HN 0.175 nan 8.290 nan 0.000 0.516 2085 V N 3.270 123.253 119.914 0.114 0.000 2.493 2085 V HA 0.305 4.425 4.120 -0.000 0.000 0.292 2085 V C -1.315 174.859 176.094 0.133 0.000 1.016 2085 V CA -0.569 61.796 62.300 0.108 0.000 1.097 2085 V CB 0.678 32.556 31.823 0.091 0.000 0.947 2085 V HN 0.206 nan 8.190 nan 0.000 0.479 2086 P HA 0.165 nan 4.420 nan 0.000 0.266 2086 P C 0.539 177.753 177.300 -0.144 0.000 1.195 2086 P CA 0.399 63.496 63.100 -0.005 0.000 0.768 2086 P CB 0.665 32.344 31.700 -0.035 0.000 0.838 2087 I N 1.034 121.472 120.570 -0.221 0.000 4.197 2087 I HA 0.264 4.434 4.170 -0.000 0.000 0.307 2087 I C 0.491 176.438 176.117 -0.282 0.000 1.236 2087 I CA 0.259 61.373 61.300 -0.310 0.000 1.321 2087 I CB 0.486 38.374 38.000 -0.186 0.000 1.309 2087 I HN 0.280 nan 8.210 nan 0.000 0.450 2088 A N 1.979 124.594 122.820 -0.343 0.000 2.437 2088 A HA 0.669 4.989 4.320 -0.000 0.000 0.293 2088 A C -0.794 176.487 177.584 -0.505 0.000 1.038 2088 A CA -0.365 51.330 52.037 -0.569 0.000 0.708 2088 A CB 1.069 19.765 19.000 -0.506 0.000 1.251 2088 A HN 0.263 nan 8.150 nan 0.000 0.409 2089 E N 1.396 121.300 120.200 -0.493 0.000 2.454 2089 E HA 0.515 4.865 4.350 -0.000 0.000 0.279 2089 E C -1.159 175.286 176.600 -0.257 0.000 1.029 2089 E CA -0.839 55.354 56.400 -0.345 0.000 0.831 2089 E CB 0.930 30.467 29.700 -0.271 0.000 1.405 2089 E HN 0.398 nan 8.360 nan 0.000 0.463 2090 D N -0.619 119.674 120.400 -0.178 0.000 2.361 2090 D HA 0.430 5.070 4.640 -0.000 0.000 0.239 2090 D C -0.633 175.609 176.300 -0.096 0.000 1.200 2090 D CA 0.748 54.677 54.000 -0.119 0.000 0.915 2090 D CB 1.058 41.812 40.800 -0.077 0.000 1.170 2090 D HN 0.634 nan 8.370 nan 0.000 0.444 2091 A N 1.367 124.140 122.820 -0.079 0.000 3.076 2091 A HA 0.200 4.520 4.320 -0.000 0.000 0.192 2091 A C 0.300 177.832 177.584 -0.087 0.000 1.076 2091 A CA -0.346 51.653 52.037 -0.063 0.000 1.235 2091 A CB -0.425 18.542 19.000 -0.054 0.000 1.249 2091 A HN 0.494 nan 8.150 nan 0.000 0.622 2092 T N 0.015 114.501 114.554 -0.113 0.000 2.788 2092 T HA 0.410 4.760 4.350 -0.000 0.000 0.333 2092 T C 0.481 174.981 174.700 -0.333 0.000 1.090 2092 T CA 1.563 63.524 62.100 -0.231 0.000 1.094 2092 T CB 0.419 69.139 68.868 -0.248 0.000 0.999 2092 T HN 1.182 nan 8.240 nan 0.000 0.549 2093 S N 0.846 116.205 115.700 -0.568 0.000 2.638 2093 S HA 0.690 5.160 4.470 -0.000 0.000 0.274 2093 S C -2.241 171.916 174.600 -0.739 0.000 1.157 2093 S CA -0.707 57.209 58.200 -0.473 0.000 0.826 2093 S CB 0.947 64.041 63.200 -0.176 0.000 1.139 2093 S HN 0.665 nan 8.310 nan 0.000 0.474 2094 Y N 1.258 121.574 120.300 0.027 0.000 2.361 2094 Y HA 0.428 4.978 4.550 -0.000 0.000 0.328 2094 Y C -0.613 175.316 175.900 0.048 0.000 1.044 2094 Y CA -1.022 57.102 58.100 0.040 0.000 1.085 2094 Y CB 1.198 39.682 38.460 0.041 0.000 1.194 2094 Y HN 0.540 nan 8.280 nan 0.000 0.438 2095 N N 1.717 120.532 118.700 0.191 0.000 2.414 2095 N HA 0.337 5.077 4.740 -0.000 0.000 0.256 2095 N C -0.897 174.737 175.510 0.206 0.000 1.029 2095 N CA -0.594 52.546 53.050 0.150 0.000 0.948 2095 N CB 1.829 40.375 38.487 0.099 0.000 1.102 2095 N HN 0.464 nan 8.380 nan 0.000 0.496 2096 V N 4.358 124.367 119.914 0.159 0.000 2.508 2096 V HA 0.297 4.417 4.120 -0.000 0.000 0.281 2096 V C -1.052 175.145 176.094 0.173 0.000 1.041 2096 V CA -0.092 62.287 62.300 0.130 0.000 1.016 2096 V CB -0.589 31.263 31.823 0.047 0.000 0.984 2096 V HN 0.688 nan 8.190 nan 0.000 0.478 2097 Y N 5.053 125.368 120.300 0.026 0.000 2.425 2097 Y HA 0.894 5.444 4.550 -0.000 0.000 0.344 2097 Y C -0.376 175.532 175.900 0.013 0.000 0.969 2097 Y CA -0.778 57.333 58.100 0.019 0.000 1.052 2097 Y CB 1.532 40.005 38.460 0.020 0.000 1.215 2097 Y HN 0.797 nan 8.280 nan 0.000 0.451 2098 A N 3.109 125.919 122.820 -0.017 0.000 2.350 2098 A HA 0.997 5.317 4.320 -0.000 0.000 0.324 2098 A C -0.913 176.678 177.584 0.011 0.000 1.118 2098 A CA -0.053 51.927 52.037 -0.095 0.000 0.783 2098 A CB 0.939 19.905 19.000 -0.056 0.000 1.236 2098 A HN 1.752 nan 8.150 nan 0.000 0.457 2182 T N 0.623 115.285 114.554 0.179 0.000 2.829 2182 T HA 0.775 5.125 4.350 -0.000 0.000 0.280 2182 T C -0.337 174.314 174.700 -0.081 0.000 0.999 2182 T CA -0.541 61.589 62.100 0.050 0.000 0.983 2182 T CB 1.258 70.199 68.868 0.121 0.000 0.968 2182 T HN 0.718 nan 8.240 nan 0.000 0.446 2183 S N 4.034 119.615 115.700 -0.199 0.000 2.664 2183 S HA 0.584 5.054 4.470 -0.000 0.000 0.262 2183 S C -3.102 171.391 174.600 -0.179 0.000 1.229 2183 S CA -1.327 56.790 58.200 -0.139 0.000 1.151 2183 S CB 0.891 64.035 63.200 -0.093 0.000 1.054 2183 S HN 0.625 nan 8.310 nan 0.000 0.483 2184 P HA 0.438 nan 4.420 nan 0.000 0.271 2184 P C -0.656 176.597 177.300 -0.079 0.000 1.216 2184 P CA -0.262 62.767 63.100 -0.117 0.000 0.776 2184 P CB 0.477 32.131 31.700 -0.077 0.000 0.881 2185 N N 1.355 120.012 118.700 -0.073 0.000 2.284 2185 N HA 0.512 5.252 4.740 -0.000 0.000 0.289 2185 N C -1.378 174.111 175.510 -0.036 0.000 1.179 2185 N CA -0.856 52.171 53.050 -0.039 0.000 0.774 2185 N CB 1.472 39.938 38.487 -0.036 0.000 1.548 2185 N HN 0.035 nan 8.380 nan 0.000 0.473 2186 R N 0.849 121.354 120.500 0.007 0.000 2.295 2186 R HA 0.576 4.915 4.340 -0.000 0.000 0.324 2186 R C -1.224 175.085 176.300 0.015 0.000 0.968 2186 R CA -0.391 55.698 56.100 -0.017 0.000 0.837 2186 R CB 0.771 31.119 30.300 0.081 0.000 1.133 2186 R HN 0.443 nan 8.270 nan 0.000 0.450 2187 S N 3.875 119.469 115.700 -0.177 0.000 2.473 2187 S HA 0.478 4.948 4.470 -0.000 0.000 0.307 2187 S C -1.467 172.951 174.600 -0.303 0.000 1.094 2187 S CA -0.539 57.607 58.200 -0.091 0.000 1.070 2187 S CB 0.424 63.589 63.200 -0.058 0.000 1.019 2187 S HN 0.522 nan 8.310 nan 0.000 0.480 2188 Y N 5.367 125.649 120.300 -0.030 0.000 2.915 2188 Y HA 0.361 4.911 4.550 -0.000 0.000 0.350 2188 Y C -1.542 174.326 175.900 -0.052 0.000 1.061 2188 Y CA -2.315 55.756 58.100 -0.048 0.000 1.179 2188 Y CB 0.565 39.027 38.460 0.003 0.000 1.180 2188 Y HN 0.527 nan 8.280 nan 0.000 0.605 2189 P HA -0.240 nan 4.420 nan 0.000 0.219 2189 P C 0.883 178.183 177.300 -0.001 0.000 1.144 2189 P CA 1.517 64.612 63.100 -0.007 0.000 0.806 2189 P CB 0.687 32.358 31.700 -0.049 0.000 0.771 2190 N N -0.982 117.691 118.700 -0.045 0.000 2.305 2190 N HA -0.009 4.731 4.740 -0.000 0.000 0.179 2190 N C 1.594 177.182 175.510 0.130 0.000 1.019 2190 N CA 1.604 54.654 53.050 -0.001 0.000 0.869 2190 N CB 0.432 38.766 38.487 -0.255 0.000 1.000 2190 N HN 0.212 nan 8.380 nan 0.000 0.431 2191 G N 0.898 109.788 108.800 0.151 0.000 3.138 2191 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.247 2191 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.247 2191 G C -0.069 174.936 174.900 0.176 0.000 1.642 2191 G CA 0.061 45.257 45.100 0.159 0.000 1.087 2191 G HN 0.384 nan 8.290 nan 0.000 0.558 2192 Q N 0.955 120.847 119.800 0.152 0.000 3.004 2192 Q HA 0.576 4.916 4.340 -0.000 0.000 0.256 2192 Q C -1.031 175.069 176.000 0.166 0.000 1.387 2192 Q CA -0.117 55.745 55.803 0.098 0.000 0.962 2192 Q CB -0.712 28.066 28.738 0.067 0.000 1.676 2192 Q HN 0.418 nan 8.270 nan 0.000 0.568 2193 F N 1.319 121.275 119.950 0.011 0.000 2.500 2193 F HA 0.449 4.976 4.527 -0.000 0.000 0.349 2193 F C 0.501 176.327 175.800 0.045 0.000 1.127 2193 F CA -0.462 57.566 58.000 0.047 0.000 0.998 2193 F CB 0.787 39.840 39.000 0.089 0.000 1.237 2193 F HN 0.434 nan 8.300 nan 0.000 0.439 2194 A N 3.310 126.149 122.820 0.032 0.000 2.693 2194 A HA -0.342 3.978 4.320 -0.000 0.000 0.313 2194 A C 1.873 179.550 177.584 0.154 0.000 1.522 2194 A CA 1.416 53.507 52.037 0.091 0.000 0.965 2194 A CB -2.123 16.969 19.000 0.154 0.000 0.939 2194 A HN 0.879 nan 8.150 nan 0.000 0.484 2195 S N 0.491 116.204 115.700 0.020 0.000 2.429 2195 S HA -0.408 4.062 4.470 -0.000 0.000 0.263 2195 S C 2.329 176.921 174.600 -0.014 0.000 1.084 2195 S CA 2.857 60.971 58.200 -0.143 0.000 1.284 2195 S CB -1.233 61.496 63.200 -0.784 0.000 1.192 2195 S HN 1.952 nan 8.310 nan 0.000 0.436 2196 S N 1.716 117.377 115.700 -0.065 0.000 2.393 2196 S HA -0.264 4.206 4.470 -0.000 0.000 0.234 2196 S C 1.582 176.359 174.600 0.295 0.000 1.064 2196 S CA 1.876 60.181 58.200 0.175 0.000 1.088 2196 S CB -0.994 62.289 63.200 0.139 0.000 0.939 2196 S HN 0.407 nan 8.310 nan 0.000 0.448 2197 F N 3.022 123.029 119.950 0.094 0.000 2.022 2197 F HA 0.045 4.572 4.527 -0.000 0.000 0.293 2197 F C 2.256 178.086 175.800 0.049 0.000 1.142 2197 F CA 0.743 58.788 58.000 0.075 0.000 1.177 2197 F CB -0.733 38.290 39.000 0.039 0.000 0.982 2197 F HN 0.082 nan 8.300 nan 0.000 0.473 2198 I N 0.256 120.839 120.570 0.022 0.000 2.087 2198 I HA -0.104 4.066 4.170 -0.000 0.000 0.240 2198 I C 1.782 177.910 176.117 0.020 0.000 1.054 2198 I CA 1.921 63.199 61.300 -0.036 0.000 1.311 2198 I CB -2.074 36.029 38.000 0.171 0.000 1.024 2198 I HN 0.436 nan 8.210 nan 0.000 0.402 2199 G N 0.436 109.327 108.800 0.151 0.000 2.378 2199 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.198 2199 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.198 2199 G C -0.949 174.077 174.900 0.209 0.000 1.223 2199 G CA -0.383 44.834 45.100 0.195 0.000 1.088 2199 G HN 0.260 nan 8.290 nan 0.000 0.530 2200 L N -0.111 121.201 121.223 0.148 0.000 2.588 2200 L HA 0.664 5.004 4.340 -0.000 0.000 0.263 2200 L C -0.015 176.906 176.870 0.085 0.000 0.935 2200 L CA -0.407 54.488 54.840 0.090 0.000 0.891 2200 L CB 2.168 44.226 42.059 -0.001 0.000 1.318 2200 L HN 1.520 nan 8.230 nan 0.000 0.409 2201 A N 3.765 126.693 122.820 0.180 0.000 2.256 2201 A HA 0.691 5.011 4.320 -0.000 0.000 0.317 2201 A C -0.460 177.176 177.584 0.086 0.000 1.318 2201 A CA -0.478 51.619 52.037 0.100 0.000 0.894 2201 A CB 0.697 19.754 19.000 0.096 0.000 1.165 2201 A HN 0.674 nan 8.150 nan 0.000 0.525 2202 Q N 1.472 121.291 119.800 0.031 0.000 2.195 2202 Q HA 0.648 4.988 4.340 -0.000 0.000 0.250 2202 Q C -0.902 175.123 176.000 0.041 0.000 0.988 2202 Q CA -1.127 54.693 55.803 0.027 0.000 0.911 2202 Q CB 1.443 30.177 28.738 -0.007 0.000 1.258 2202 Q HN 0.513 nan 8.270 nan 0.000 0.475 2203 L N 2.388 123.632 121.223 0.034 0.000 2.325 2203 L HA 0.162 4.502 4.340 -0.000 0.000 0.284 2203 L C -0.644 176.263 176.870 0.062 0.000 1.089 2203 L CA 0.254 55.117 54.840 0.038 0.000 0.836 2203 L CB -0.040 42.024 42.059 0.008 0.000 1.184 2203 L HN 0.629 nan 8.230 nan 0.000 0.444 2204 H N 4.931 123.985 119.070 -0.027 0.000 2.499 2204 H HA 0.345 4.900 4.556 -0.000 0.000 0.340 2204 H C -1.136 174.177 175.328 -0.024 0.000 1.148 2204 H CA -0.669 55.362 56.048 -0.028 0.000 1.215 2204 H CB 1.434 31.178 29.762 -0.030 0.000 1.529 2204 H HN 0.733 nan 8.280 nan 0.000 0.510 2205 E N 4.325 124.154 120.200 -0.618 0.000 2.146 2205 E HA 0.141 4.491 4.350 -0.000 0.000 0.282 2205 E C -0.562 175.737 176.600 -0.501 0.000 0.989 2205 E CA -0.798 55.362 56.400 -0.400 0.000 0.799 2205 E CB 0.621 30.155 29.700 -0.276 0.000 1.088 2205 E HN 0.587 nan 8.360 nan 0.000 0.397 2206 N N 2.347 120.993 118.700 -0.091 0.000 2.408 2206 N HA 0.008 4.748 4.740 -0.000 0.000 0.260 2206 N C 0.204 175.715 175.510 0.001 0.000 1.242 2206 N CA 0.357 53.449 53.050 0.069 0.000 0.959 2206 N CB 0.618 39.166 38.487 0.102 0.000 1.201 2206 N HN 0.711 nan 8.380 nan 0.000 0.511 2207 E N 0.188 120.410 120.200 0.035 0.000 2.902 2207 E HA -0.016 4.334 4.350 -0.000 0.000 0.231 2207 E C -0.631 175.969 176.600 0.000 0.000 1.422 2207 E CA 0.140 56.546 56.400 0.011 0.000 1.418 2207 E CB -1.576 28.137 29.700 0.023 0.000 1.323 2207 E HN 0.636 nan 8.360 nan 0.000 0.428 2208 D N -4.222 116.173 120.400 -0.009 0.000 4.135 2208 D HA 0.295 4.935 4.640 -0.000 0.000 0.227 2208 D C 0.968 177.256 176.300 -0.019 0.000 1.501 2208 D CA 0.221 54.214 54.000 -0.011 0.000 1.027 2208 D CB -0.707 40.091 40.800 -0.002 0.000 1.320 2208 D HN 0.624 nan 8.370 nan 0.000 0.855 2209 G N 1.521 110.302 108.800 -0.032 0.000 5.186 2209 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.291 2209 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.291 2209 G C 0.746 175.624 174.900 -0.037 0.000 1.394 2209 G CA 1.187 46.264 45.100 -0.039 0.000 1.121 2209 G HN 1.708 nan 8.290 nan 0.000 0.802 2210 S N 0.893 116.580 115.700 -0.022 0.000 4.045 2210 S HA 0.337 4.807 4.470 -0.000 0.000 0.485 2210 S C 0.301 174.896 174.600 -0.009 0.000 1.097 2210 S CA 1.746 59.938 58.200 -0.012 0.000 0.930 2210 S CB -0.187 63.013 63.200 0.001 0.000 0.685 2210 S HN 1.953 nan 8.310 nan 0.000 0.484 2211 K N 2.041 122.434 120.400 -0.012 0.000 2.098 2211 K HA 0.778 5.098 4.320 -0.000 0.000 0.258 2211 K C 0.127 176.739 176.600 0.020 0.000 0.973 2211 K CA -0.311 55.973 56.287 -0.005 0.000 0.898 2211 K CB 1.175 33.661 32.500 -0.023 0.000 1.057 2211 K HN 1.548 nan 8.250 nan 0.000 0.447 2212 S N 0.444 116.174 115.700 0.049 0.000 2.583 2212 S HA 0.295 4.765 4.470 -0.000 0.000 0.294 2212 S C -1.189 173.442 174.600 0.052 0.000 1.121 2212 S CA -0.942 57.283 58.200 0.042 0.000 0.910 2212 S CB 0.566 63.791 63.200 0.042 0.000 1.102 2212 S HN 0.583 nan 8.310 nan 0.000 0.451 2213 L N 2.987 124.223 121.223 0.021 0.000 2.791 2213 L HA 0.131 4.470 4.340 -0.000 0.000 0.276 2213 L C -0.172 176.700 176.870 0.003 0.000 1.136 2213 L CA 0.846 55.695 54.840 0.016 0.000 1.008 2213 L CB -0.525 41.532 42.059 -0.002 0.000 1.348 2213 L HN 0.629 nan 8.230 nan 0.000 0.476 2214 L N 2.522 123.746 121.223 0.003 0.000 2.344 2214 L HA 0.587 4.927 4.340 -0.000 0.000 0.272 2214 L C 0.664 177.514 176.870 -0.033 0.000 1.035 2214 L CA -0.471 54.338 54.840 -0.051 0.000 0.807 2214 L CB 1.816 43.789 42.059 -0.143 0.000 1.237 2214 L HN 0.613 nan 8.230 nan 0.000 0.442 2215 G N -0.598 108.175 108.800 -0.046 0.000 2.347 2215 G HA2 0.386 4.346 3.960 -0.000 0.000 0.314 2215 G HA3 0.386 4.346 3.960 -0.000 0.000 0.314 2215 G C 0.679 175.544 174.900 -0.058 0.000 1.126 2215 G CA -0.074 45.010 45.100 -0.026 0.000 0.929 2215 G HN 0.749 nan 8.290 nan 0.000 0.441 2216 T N -1.256 113.252 114.554 -0.078 0.000 3.051 2216 T HA 0.276 4.626 4.350 -0.000 0.000 0.255 2216 T C 1.183 175.804 174.700 -0.132 0.000 1.085 2216 T CA 0.688 62.706 62.100 -0.137 0.000 1.109 2216 T CB 0.023 68.760 68.868 -0.219 0.000 0.921 2216 T HN 0.978 nan 8.240 nan 0.000 0.488 2217 S N -0.810 114.856 115.700 -0.057 0.000 2.596 2217 S HA 0.675 5.145 4.470 -0.000 0.000 0.270 2217 S C 0.363 175.024 174.600 0.102 0.000 1.155 2217 S CA -0.306 57.918 58.200 0.040 0.000 0.827 2217 S CB 1.247 64.503 63.200 0.095 0.000 1.130 2217 S HN 1.360 nan 8.310 nan 0.000 0.467 2218 G N 1.547 110.437 108.800 0.150 0.000 2.682 2218 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.256 2218 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.256 2218 G C 0.692 175.554 174.900 -0.064 0.000 1.333 2218 G CA 0.387 45.532 45.100 0.076 0.000 0.904 2218 G HN 1.090 nan 8.290 nan 0.000 0.569 2219 M N -1.208 118.244 119.600 -0.247 0.000 2.147 2219 M HA -0.241 4.239 4.480 -0.000 0.000 0.253 2219 M C 2.388 178.625 176.300 -0.106 0.000 1.075 2219 M CA 2.875 58.013 55.300 -0.271 0.000 1.085 2219 M CB -0.537 31.828 32.600 -0.392 0.000 1.305 2219 M HN 0.775 nan 8.290 nan 0.000 0.409 2220 E N 0.109 120.279 120.200 -0.050 0.000 2.095 2220 E HA -0.253 4.097 4.350 -0.000 0.000 0.212 2220 E C 2.033 178.622 176.600 -0.019 0.000 1.044 2220 E CA 2.406 58.801 56.400 -0.009 0.000 0.857 2220 E CB -0.371 29.361 29.700 0.054 0.000 0.764 2220 E HN 0.440 nan 8.360 nan 0.000 0.462 2221 S N -1.061 114.630 115.700 -0.015 0.000 2.348 2221 S HA -0.155 4.315 4.470 -0.000 0.000 0.221 2221 S C 2.154 176.744 174.600 -0.016 0.000 1.033 2221 S CA 1.812 60.001 58.200 -0.019 0.000 1.010 2221 S CB -0.525 62.669 63.200 -0.010 0.000 0.891 2221 S HN 0.294 nan 8.310 nan 0.000 0.442 2222 S N 0.786 116.473 115.700 -0.020 0.000 2.399 2222 S HA 0.077 4.547 4.470 -0.000 0.000 0.231 2222 S C 1.018 175.611 174.600 -0.011 0.000 1.022 2222 S CA 0.832 59.022 58.200 -0.016 0.000 0.983 2222 S CB -0.211 62.960 63.200 -0.048 0.000 0.803 2222 S HN 0.370 nan 8.310 nan 0.000 0.480 2223 L N 1.532 122.744 121.223 -0.019 0.000 2.965 2223 L HA 0.363 4.703 4.340 -0.000 0.000 0.254 2223 L C 1.249 178.111 176.870 -0.013 0.000 1.220 2223 L CA -0.046 54.789 54.840 -0.008 0.000 1.023 2223 L CB -0.944 41.117 42.059 0.004 0.000 1.355 2223 L HN 0.111 nan 8.230 nan 0.000 0.545 2224 N N 0.318 119.008 118.700 -0.016 0.000 2.004 2224 N HA -0.249 4.491 4.740 -0.000 0.000 0.196 2224 N C 2.040 177.542 175.510 -0.013 0.000 1.064 2224 N CA 2.140 55.178 53.050 -0.020 0.000 0.855 2224 N CB 0.102 38.573 38.487 -0.027 0.000 1.056 2224 N HN 0.331 nan 8.380 nan 0.000 0.423 2225 S N 0.370 116.067 115.700 -0.006 0.000 2.408 2225 S HA -0.302 4.168 4.470 -0.000 0.000 0.241 2225 S C 2.068 176.673 174.600 0.008 0.000 1.080 2225 S CA 1.848 60.050 58.200 0.004 0.000 1.109 2225 S CB -1.305 61.906 63.200 0.017 0.000 0.966 2225 S HN 0.450 nan 8.310 nan 0.000 0.449 2226 I N 1.890 122.465 120.570 0.008 0.000 2.060 2226 I HA -0.181 3.989 4.170 -0.000 0.000 0.233 2226 I C 2.629 178.745 176.117 -0.001 0.000 1.054 2226 I CA 1.577 62.882 61.300 0.008 0.000 1.318 2226 I CB -0.709 37.293 38.000 0.002 0.000 1.054 2226 I HN 0.241 nan 8.210 nan 0.000 0.395 2227 L N 0.868 122.083 121.223 -0.013 0.000 2.010 2227 L HA -0.322 4.018 4.340 -0.000 0.000 0.219 2227 L C 2.919 179.774 176.870 -0.024 0.000 1.077 2227 L CA 1.740 56.564 54.840 -0.027 0.000 0.773 2227 L CB -1.002 41.031 42.059 -0.044 0.000 0.892 2227 L HN 0.359 nan 8.230 nan 0.000 0.436 2228 A N -0.538 122.270 122.820 -0.020 0.000 1.915 2228 A HA -0.050 4.270 4.320 -0.000 0.000 0.220 2228 A C 1.559 179.137 177.584 -0.009 0.000 1.198 2228 A CA 1.972 53.999 52.037 -0.016 0.000 0.647 2228 A CB -1.247 17.744 19.000 -0.015 0.000 0.825 2228 A HN 0.690 nan 8.150 nan 0.000 0.456 2229 G N -2.966 105.832 108.800 -0.004 0.000 2.642 2229 G HA2 0.046 4.006 3.960 -0.000 0.000 0.231 2229 G HA3 0.046 4.006 3.960 -0.000 0.000 0.231 2229 G C -0.147 174.754 174.900 0.002 0.000 1.338 2229 G CA 0.076 45.176 45.100 -0.000 0.000 0.883 2229 G HN 1.441 nan 8.290 nan 0.000 0.570 2230 T N 0.673 115.230 114.554 0.004 0.000 2.937 2230 T HA 0.548 4.898 4.350 -0.000 0.000 0.297 2230 T C -1.046 173.659 174.700 0.008 0.000 0.991 2230 T CA -0.642 61.461 62.100 0.005 0.000 0.990 2230 T CB 1.854 70.725 68.868 0.005 0.000 0.991 2230 T HN 0.619 nan 8.240 nan 0.000 0.440 2231 D N 2.274 122.680 120.400 0.009 0.000 2.443 2231 D HA 0.372 5.012 4.640 -0.000 0.000 0.239 2231 D C 0.881 177.189 176.300 0.013 0.000 1.136 2231 D CA 0.424 54.431 54.000 0.012 0.000 0.879 2231 D CB 0.814 41.621 40.800 0.013 0.000 1.195 2231 D HN 0.707 nan 8.370 nan 0.000 0.443 2232 G N -0.199 108.611 108.800 0.016 0.000 2.507 2232 G HA2 0.574 4.534 3.960 -0.000 0.000 0.271 2232 G HA3 0.574 4.534 3.960 -0.000 0.000 0.271 2232 G C -0.323 174.586 174.900 0.015 0.000 1.189 2232 G CA -0.313 44.797 45.100 0.016 0.000 0.859 2232 G HN 0.581 nan 8.290 nan 0.000 0.542 2233 I N 0.912 121.490 120.570 0.014 0.000 2.533 2233 I HA 0.779 4.949 4.170 -0.000 0.000 0.290 2233 I C -0.524 175.601 176.117 0.013 0.000 1.056 2233 I CA -1.144 60.163 61.300 0.012 0.000 1.057 2233 I CB 1.437 39.443 38.000 0.010 0.000 1.240 2233 I HN 0.588 nan 8.210 nan 0.000 0.423 2234 I N 4.666 125.245 120.570 0.014 0.000 2.478 2234 I HA 0.560 4.730 4.170 -0.000 0.000 0.287 2234 I C 0.060 176.184 176.117 0.012 0.000 1.042 2234 I CA -0.892 60.417 61.300 0.015 0.000 1.067 2234 I CB 2.358 40.370 38.000 0.020 0.000 1.233 2234 I HN 0.760 nan 8.210 nan 0.000 0.431 2235 T N 1.854 116.414 114.554 0.011 0.000 2.842 2235 T HA 0.597 4.946 4.350 -0.000 0.000 0.308 2235 T C -0.007 174.698 174.700 0.010 0.000 1.041 2235 T CA -0.406 61.700 62.100 0.009 0.000 0.964 2235 T CB 0.164 69.036 68.868 0.007 0.000 0.972 2235 T HN 0.492 nan 8.240 nan 0.000 0.460 2243 N N 0.605 119.309 118.700 0.008 0.000 4.036 2243 N HA 0.089 4.829 4.740 -0.000 0.000 0.178 2243 N C -0.118 175.396 175.510 0.007 0.000 1.378 2243 N CA -0.343 52.712 53.050 0.008 0.000 0.851 2243 N CB 0.012 38.505 38.487 0.010 0.000 1.714 2243 N HN 0.223 nan 8.380 nan 0.000 0.771 2244 I N 1.250 121.824 120.570 0.006 0.000 3.495 2244 I HA -0.142 4.028 4.170 -0.000 0.000 0.273 2244 I C 1.929 178.049 176.117 0.005 0.000 1.313 2244 I CA -0.129 61.175 61.300 0.005 0.000 1.313 2244 I CB 0.404 38.407 38.000 0.005 0.000 1.355 2244 I HN 0.171 nan 8.210 nan 0.000 0.623 2245 V N 2.554 122.471 119.914 0.005 0.000 2.300 2245 V HA -0.062 4.058 4.120 -0.000 0.000 0.233 2245 V C -0.473 175.624 176.094 0.005 0.000 1.052 2245 V CA 1.051 63.354 62.300 0.004 0.000 1.026 2245 V CB -2.164 29.661 31.823 0.004 0.000 0.661 2245 V HN 0.824 nan 8.190 nan 0.000 0.470 2246 P HA -0.020 nan 4.420 nan 0.000 0.233 2246 P C 1.713 179.016 177.300 0.005 0.000 1.167 2246 P CA 1.480 64.583 63.100 0.004 0.000 0.770 2246 P CB -0.327 31.375 31.700 0.003 0.000 0.837 2247 G N 0.526 109.329 108.800 0.005 0.000 2.596 2247 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.223 2247 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.223 2247 G C 1.037 175.941 174.900 0.006 0.000 1.120 2247 G CA 1.522 46.626 45.100 0.005 0.000 0.752 2247 G HN 0.575 nan 8.290 nan 0.000 0.596 2248 T N 0.068 114.626 114.554 0.007 0.000 2.867 2248 T HA 0.571 4.921 4.350 -0.000 0.000 0.297 2248 T C 0.081 174.785 174.700 0.008 0.000 0.989 2248 T CA 1.186 63.291 62.100 0.008 0.000 1.159 2248 T CB -0.106 68.767 68.868 0.009 0.000 0.928 2248 T HN 1.039 nan 8.240 nan 0.000 0.538 2249 E N 2.069 122.274 120.200 0.008 0.000 2.380 2249 E HA 0.584 4.934 4.350 -0.000 0.000 0.281 2249 E C -1.492 175.113 176.600 0.009 0.000 0.999 2249 E CA -0.779 55.625 56.400 0.008 0.000 0.800 2249 E CB 1.177 30.881 29.700 0.006 0.000 1.228 2249 E HN 1.007 nan 8.360 nan 0.000 0.436 2250 L N 2.615 123.843 121.223 0.008 0.000 2.321 2250 L HA 0.699 5.039 4.340 -0.000 0.000 0.272 2250 L C 0.536 177.411 176.870 0.008 0.000 1.050 2250 L CA -0.401 54.445 54.840 0.009 0.000 0.893 2250 L CB 0.346 42.411 42.059 0.010 0.000 1.272 2250 L HN 1.142 nan 8.230 nan 0.000 0.435 2251 V N 3.239 123.157 119.914 0.008 0.000 2.931 2251 V HA -0.139 3.981 4.120 -0.000 0.000 0.290 2251 V C 1.338 177.436 176.094 0.006 0.000 1.315 2251 V CA 0.988 63.292 62.300 0.006 0.000 1.393 2251 V CB -0.114 31.713 31.823 0.007 0.000 0.887 2251 V HN 1.012 nan 8.190 nan 0.000 0.520 2252 S N 3.676 119.378 115.700 0.005 0.000 3.420 2252 S HA 0.060 4.530 4.470 -0.000 0.000 0.226 2252 S C 0.381 174.984 174.600 0.004 0.000 0.972 2252 S CA 0.933 59.135 58.200 0.004 0.000 1.178 2252 S CB -0.765 62.436 63.200 0.002 0.000 1.260 2252 S HN 0.920 nan 8.310 nan 0.000 0.469 2253 Q N 0.941 120.744 119.800 0.006 0.000 2.444 2253 Q HA 0.341 4.681 4.340 -0.000 0.000 0.251 2253 Q C -0.694 175.312 176.000 0.009 0.000 0.939 2253 Q CA -0.021 55.786 55.803 0.007 0.000 0.740 2253 Q CB 1.626 30.369 28.738 0.008 0.000 1.308 2253 Q HN 0.717 nan 8.270 nan 0.000 0.461 2254 Q N 1.342 121.147 119.800 0.008 0.000 2.430 2254 Q HA 0.365 4.705 4.340 -0.000 0.000 0.245 2254 Q C 0.143 176.150 176.000 0.012 0.000 1.021 2254 Q CA -0.552 55.258 55.803 0.011 0.000 0.867 2254 Q CB 0.367 29.111 28.738 0.009 0.000 1.210 2254 Q HN 0.481 nan 8.270 nan 0.000 0.487 2255 T N 2.268 116.831 114.554 0.016 0.000 2.276 2255 T HA 0.050 4.400 4.350 -0.000 0.000 0.202 2255 T C 0.215 174.925 174.700 0.016 0.000 1.117 2255 T CA 0.738 62.849 62.100 0.018 0.000 1.808 2255 T CB -0.924 67.959 68.868 0.025 0.000 1.045 2255 T HN 0.629 nan 8.240 nan 0.000 0.441 2256 V N 5.732 125.653 119.914 0.012 0.000 2.266 2256 V HA 0.145 4.265 4.120 -0.000 0.000 0.271 2256 V C 0.439 176.537 176.094 0.008 0.000 1.032 2256 V CA -1.223 61.082 62.300 0.008 0.000 0.806 2256 V CB 0.885 32.710 31.823 0.004 0.000 1.052 2256 V HN 0.779 nan 8.190 nan 0.000 0.449 2257 D N 3.561 123.969 120.400 0.012 0.000 2.629 2257 D HA 0.002 4.642 4.640 -0.000 0.000 0.228 2257 D C 0.889 177.193 176.300 0.005 0.000 1.127 2257 D CA 0.822 54.829 54.000 0.012 0.000 0.855 2257 D CB 1.195 42.009 40.800 0.023 0.000 1.180 2257 D HN 0.621 nan 8.370 nan 0.000 0.484 2258 G N 1.784 110.584 108.800 0.001 0.000 2.554 2258 G HA2 0.094 4.054 3.960 -0.000 0.000 0.238 2258 G HA3 0.094 4.054 3.960 -0.000 0.000 0.238 2258 G C 0.106 175.008 174.900 0.003 0.000 1.259 2258 G CA -0.587 44.511 45.100 -0.003 0.000 0.843 2258 G HN 0.322 nan 8.290 nan 0.000 0.582 2259 K N 1.412 121.814 120.400 0.004 0.000 2.350 2259 K HA 0.115 4.435 4.320 -0.000 0.000 0.279 2259 K C -0.304 176.327 176.600 0.052 0.000 1.027 2259 K CA -0.394 55.905 56.287 0.020 0.000 0.969 2259 K CB 0.820 33.325 32.500 0.009 0.000 0.954 2259 K HN 0.446 nan 8.250 nan 0.000 0.474 2260 D N 1.188 121.669 120.400 0.136 0.000 2.360 2260 D HA 0.124 4.764 4.640 -0.000 0.000 0.242 2260 D C -0.472 175.912 176.300 0.140 0.000 1.184 2260 D CA -0.035 54.039 54.000 0.123 0.000 0.930 2260 D CB 1.276 42.290 40.800 0.356 0.000 1.161 2260 D HN 0.022 nan 8.370 nan 0.000 0.447 2261 V N 2.350 122.273 119.914 0.015 0.000 2.380 2261 V HA 0.099 4.219 4.120 -0.000 0.000 0.286 2261 V C -0.956 175.189 176.094 0.085 0.000 1.015 2261 V CA -0.727 61.621 62.300 0.080 0.000 0.834 2261 V CB 0.550 32.386 31.823 0.021 0.000 1.009 2261 V HN 0.363 nan 8.190 nan 0.000 0.428 2262 Y N 3.631 124.059 120.300 0.213 0.000 2.556 2262 Y HA 0.356 4.906 4.550 -0.000 0.000 0.352 2262 Y C 1.529 177.530 175.900 0.168 0.000 1.006 2262 Y CA -0.226 58.004 58.100 0.217 0.000 1.277 2262 Y CB 0.766 39.322 38.460 0.159 0.000 1.136 2262 Y HN 0.766 nan 8.280 nan 0.000 0.523 2263 T N -2.362 112.358 114.554 0.276 0.000 2.729 2263 T HA 0.093 4.443 4.350 -0.000 0.000 0.298 2263 T C 1.277 176.156 174.700 0.297 0.000 1.013 2263 T CA 0.007 62.283 62.100 0.293 0.000 0.957 2263 T CB 0.924 69.973 68.868 0.302 0.000 1.130 2263 T HN 0.602 nan 8.240 nan 0.000 0.526 2264 T N -1.785 112.964 114.554 0.325 0.000 3.086 2264 T HA 0.301 4.651 4.350 -0.000 0.000 0.250 2264 T C 0.705 175.569 174.700 0.273 0.000 1.074 2264 T CA -0.416 61.851 62.100 0.278 0.000 0.988 2264 T CB -0.514 68.516 68.868 0.270 0.000 0.988 2264 T HN 0.466 nan 8.240 nan 0.000 0.530 2265 L N 2.499 123.908 121.223 0.310 0.000 2.455 2265 L HA 0.275 4.615 4.340 -0.000 0.000 0.272 2265 L C 0.788 177.808 176.870 0.250 0.000 1.174 2265 L CA -0.406 54.602 54.840 0.280 0.000 0.869 2265 L CB 0.760 43.027 42.059 0.348 0.000 1.130 2265 L HN 0.151 nan 8.230 nan 0.000 0.474 2266 S N 1.736 117.553 115.700 0.194 0.000 2.835 2266 S HA 0.132 4.602 4.470 -0.000 0.000 0.286 2266 S C 1.250 175.966 174.600 0.193 0.000 1.194 2266 S CA -0.599 57.708 58.200 0.178 0.000 1.031 2266 S CB 0.268 63.548 63.200 0.133 0.000 1.216 2266 S HN 0.766 nan 8.310 nan 0.000 0.502 2267 S N 6.155 122.035 115.700 0.300 0.000 2.420 2267 S HA -0.205 4.265 4.470 -0.000 0.000 0.278 2267 S C -0.630 174.136 174.600 0.278 0.000 1.111 2267 S CA 2.222 60.680 58.200 0.429 0.000 1.315 2267 S CB -1.650 61.756 63.200 0.343 0.000 1.226 2267 S HN 0.750 nan 8.310 nan 0.000 0.444 2268 P HA -0.147 nan 4.420 nan 0.000 0.214 2268 P C 1.630 178.998 177.300 0.112 0.000 1.169 2268 P CA 1.240 64.418 63.100 0.129 0.000 0.908 2268 P CB -0.198 31.547 31.700 0.074 0.000 0.791 2269 L N -0.035 121.238 121.223 0.083 0.000 1.990 2269 L HA -0.203 4.137 4.340 -0.000 0.000 0.213 2269 L C 2.986 179.872 176.870 0.027 0.000 1.072 2269 L CA 2.068 56.949 54.840 0.068 0.000 0.755 2269 L CB -1.924 40.148 42.059 0.021 0.000 0.889 2269 L HN -0.024 nan 8.230 nan 0.000 0.432 2270 Q N -1.372 118.399 119.800 -0.048 0.000 2.135 2270 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 2270 Q C 2.434 178.260 176.000 -0.289 0.000 0.981 2270 Q CA 2.180 57.842 55.803 -0.235 0.000 0.856 2270 Q CB -0.517 27.944 28.738 -0.461 0.000 0.902 2270 Q HN 0.444 nan 8.270 nan 0.000 0.425 2271 S N -1.080 114.539 115.700 -0.134 0.000 2.382 2271 S HA -0.097 4.373 4.470 -0.000 0.000 0.228 2271 S C 1.355 176.008 174.600 0.089 0.000 1.027 2271 S CA 1.078 59.291 58.200 0.023 0.000 0.991 2271 S CB -0.453 62.882 63.200 0.226 0.000 0.823 2271 S HN 0.603 nan 8.310 nan 0.000 0.469 2272 F N 1.281 121.191 119.950 -0.068 0.000 2.512 2272 F HA 0.291 4.818 4.527 -0.000 0.000 0.296 2272 F C 1.882 177.615 175.800 -0.111 0.000 1.110 2272 F CA 0.846 58.801 58.000 -0.076 0.000 1.446 2272 F CB -0.399 38.547 39.000 -0.090 0.000 1.092 2272 F HN 0.188 nan 8.300 nan 0.000 0.554 2273 M N -0.205 119.242 119.600 -0.255 0.000 2.229 2273 M HA -0.127 4.353 4.480 -0.000 0.000 0.264 2273 M C 1.909 178.099 176.300 -0.184 0.000 1.063 2273 M CA 1.475 56.563 55.300 -0.355 0.000 1.114 2273 M CB -0.224 32.252 32.600 -0.208 0.000 1.387 2273 M HN 0.015 nan 8.290 nan 0.000 0.420 2274 E N 0.079 120.204 120.200 -0.124 0.000 2.031 2274 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 2274 E C 1.908 178.494 176.600 -0.023 0.000 0.994 2274 E CA 1.998 58.369 56.400 -0.049 0.000 0.800 2274 E CB -0.869 28.810 29.700 -0.036 0.000 0.752 2274 E HN 0.490 nan 8.360 nan 0.000 0.447 2275 T N 2.424 116.952 114.554 -0.043 0.000 2.624 2275 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 2275 T C 1.835 176.498 174.700 -0.061 0.000 1.041 2275 T CA 1.690 63.779 62.100 -0.018 0.000 1.159 2275 T CB -0.158 68.742 68.868 0.052 0.000 0.863 2275 T HN 0.121 nan 8.240 nan 0.000 0.434 2276 Q N 0.293 119.944 119.800 -0.248 0.000 1.942 2276 Q HA -0.055 4.285 4.340 -0.000 0.000 0.203 2276 Q C 2.398 178.533 176.000 0.224 0.000 0.987 2276 Q CA 1.313 57.021 55.803 -0.157 0.000 0.844 2276 Q CB -0.929 27.432 28.738 -0.627 0.000 0.911 2276 Q HN 0.408 nan 8.270 nan 0.000 0.423 2277 M N 1.905 121.733 119.600 0.379 0.000 2.124 2277 M HA -0.223 4.257 4.480 -0.000 0.000 0.253 2277 M C 1.146 177.555 176.300 0.181 0.000 1.077 2277 M CA 1.826 57.331 55.300 0.341 0.000 1.085 2277 M CB -0.641 32.098 32.600 0.231 0.000 1.320 2277 M HN 0.121 nan 8.290 nan 0.000 0.404 2278 D N -0.591 119.875 120.400 0.110 0.000 2.219 2278 D HA -0.026 4.614 4.640 -0.000 0.000 0.205 2278 D C 1.808 178.151 176.300 0.071 0.000 0.970 2278 D CA 1.522 55.562 54.000 0.067 0.000 0.851 2278 D CB -0.145 40.684 40.800 0.047 0.000 0.943 2278 D HN 0.564 nan 8.370 nan 0.000 0.488 2279 A N 0.128 123.014 122.820 0.109 0.000 1.975 2279 A HA -0.055 4.265 4.320 -0.000 0.000 0.215 2279 A C 1.847 179.520 177.584 0.150 0.000 1.170 2279 A CA 0.206 52.306 52.037 0.104 0.000 0.656 2279 A CB -0.547 18.514 19.000 0.101 0.000 0.821 2279 A HN 0.175 nan 8.150 nan 0.000 0.449 2280 F N 0.318 120.282 119.950 0.023 0.000 2.259 2280 F HA -0.034 4.493 4.527 -0.000 0.000 0.298 2280 F C 1.653 177.419 175.800 -0.056 0.000 1.088 2280 F CA 1.149 59.137 58.000 -0.021 0.000 1.358 2280 F CB -0.209 38.749 39.000 -0.071 0.000 1.040 2280 F HN 0.204 nan 8.300 nan 0.000 0.505 2281 L N 0.517 121.676 121.223 -0.106 0.000 2.072 2281 L HA -0.056 4.284 4.340 -0.000 0.000 0.205 2281 L C 2.055 178.836 176.870 -0.148 0.000 1.079 2281 L CA 1.787 56.505 54.840 -0.203 0.000 0.752 2281 L CB -0.973 41.028 42.059 -0.097 0.000 0.906 2281 L HN -0.055 nan 8.230 nan 0.000 0.436 2282 E N -0.159 119.999 120.200 -0.071 0.000 2.418 2282 E HA -0.189 4.161 4.350 -0.000 0.000 0.197 2282 E C 1.886 178.452 176.600 -0.057 0.000 1.026 2282 E CA 0.546 56.916 56.400 -0.050 0.000 0.862 2282 E CB 0.031 29.719 29.700 -0.019 0.000 0.799 2282 E HN 0.535 nan 8.360 nan 0.000 0.518 2283 K N 0.273 120.620 120.400 -0.088 0.000 2.334 2283 K HA -0.008 4.312 4.320 -0.000 0.000 0.195 2283 K C 1.638 178.179 176.600 -0.098 0.000 1.045 2283 K CA 0.668 56.906 56.287 -0.083 0.000 1.004 2283 K CB 0.655 33.126 32.500 -0.049 0.000 0.837 2283 K HN 0.080 nan 8.250 nan 0.000 0.510 2284 V N -3.062 116.740 119.914 -0.186 0.000 3.485 2284 V HA 0.254 4.374 4.120 -0.000 0.000 0.280 2284 V C -0.537 175.479 176.094 -0.130 0.000 1.495 2284 V CA -0.619 61.600 62.300 -0.136 0.000 1.018 2284 V CB 0.275 31.967 31.823 -0.217 0.000 0.818 2284 V HN 0.003 nan 8.190 nan 0.000 0.436 2285 K N 2.109 122.416 120.400 -0.155 0.000 4.814 2285 K HA -0.155 4.165 4.320 -0.000 0.000 0.295 2285 K C 0.468 176.975 176.600 -0.156 0.000 0.828 2285 K CA 1.187 57.394 56.287 -0.133 0.000 0.895 2285 K CB -1.551 30.902 32.500 -0.078 0.000 1.810 2285 K HN 0.947 nan 8.250 nan 0.000 0.418 2286 G N 1.935 110.624 108.800 -0.184 0.000 2.332 2286 G HA2 0.246 4.206 3.960 -0.000 0.000 0.310 2286 G HA3 0.246 4.206 3.960 -0.000 0.000 0.310 2286 G C 1.086 175.883 174.900 -0.172 0.000 1.123 2286 G CA -0.762 44.238 45.100 -0.166 0.000 0.873 2286 G HN 0.167 nan 8.290 nan 0.000 0.460 2287 K N 0.582 120.858 120.400 -0.206 0.000 2.189 2287 K HA -0.159 4.161 4.320 -0.000 0.000 0.207 2287 K C -0.322 175.969 176.600 -0.515 0.000 1.046 2287 K CA 1.481 57.543 56.287 -0.374 0.000 0.928 2287 K CB -0.229 32.047 32.500 -0.373 0.000 0.720 2287 K HN 0.544 nan 8.250 nan 0.000 0.458 2288 Y N -1.009 119.214 120.300 -0.128 0.000 2.441 2288 Y HA 0.340 4.890 4.550 -0.000 0.000 0.334 2288 Y C -0.096 175.712 175.900 -0.154 0.000 1.061 2288 Y CA -1.234 56.779 58.100 -0.144 0.000 1.032 2288 Y CB 1.524 39.887 38.460 -0.162 0.000 1.266 2288 Y HN -0.194 nan 8.280 nan 0.000 0.441 2289 M N 2.947 122.573 119.600 0.043 0.000 2.393 2289 M HA 0.661 5.141 4.480 -0.000 0.000 0.316 2289 M C -0.766 175.486 176.300 -0.081 0.000 1.087 2289 M CA -0.455 54.818 55.300 -0.045 0.000 0.937 2289 M CB 1.985 34.552 32.600 -0.055 0.000 1.668 2289 M HN 0.636 nan 8.290 nan 0.000 0.438 2290 T N 1.772 116.252 114.554 -0.122 0.000 2.956 2290 T HA 0.874 5.224 4.350 -0.000 0.000 0.312 2290 T C -1.410 173.207 174.700 -0.138 0.000 1.151 2290 T CA -0.707 61.302 62.100 -0.152 0.000 1.024 2290 T CB 2.352 71.074 68.868 -0.243 0.000 1.140 2290 T HN 0.777 nan 8.240 nan 0.000 0.473 2291 A N 1.875 124.656 122.820 -0.066 0.000 2.512 2291 A HA 0.701 5.021 4.320 -0.000 0.000 0.294 2291 A C -0.796 176.814 177.584 0.043 0.000 1.054 2291 A CA -0.783 51.281 52.037 0.045 0.000 0.756 2291 A CB 1.279 20.441 19.000 0.270 0.000 1.293 2291 A HN 0.653 nan 8.150 nan 0.000 0.395 2292 T N 2.680 117.274 114.554 0.066 0.000 2.965 2292 T HA 0.452 4.801 4.350 -0.000 0.000 0.306 2292 T C -0.761 173.999 174.700 0.101 0.000 0.991 2292 T CA -0.222 61.911 62.100 0.056 0.000 1.001 2292 T CB 0.940 69.837 68.868 0.049 0.000 0.984 2292 T HN 0.722 nan 8.240 nan 0.000 0.446 2293 L N 4.657 125.918 121.223 0.064 0.000 2.290 2293 L HA 0.700 5.040 4.340 -0.000 0.000 0.284 2293 L C -0.723 176.223 176.870 0.126 0.000 1.078 2293 L CA -0.055 54.835 54.840 0.083 0.000 0.815 2293 L CB 0.561 42.630 42.059 0.016 0.000 1.162 2293 L HN 0.435 nan 8.230 nan 0.000 0.435 2294 V N 3.626 123.643 119.914 0.171 0.000 2.769 2294 V HA 0.404 4.524 4.120 -0.000 0.000 0.312 2294 V C -0.203 176.019 176.094 0.213 0.000 1.061 2294 V CA -0.693 61.715 62.300 0.181 0.000 0.931 2294 V CB 2.118 34.040 31.823 0.165 0.000 1.010 2294 V HN 0.766 nan 8.190 nan 0.000 0.433 2295 S N 2.518 118.330 115.700 0.186 0.000 2.416 2295 S HA 0.481 4.951 4.470 -0.000 0.000 0.287 2295 S C 1.134 175.784 174.600 0.083 0.000 1.139 2295 S CA 0.098 58.383 58.200 0.143 0.000 1.058 2295 S CB 1.066 64.343 63.200 0.128 0.000 0.967 2295 S HN 0.977 nan 8.310 nan 0.000 0.495 2296 A N 6.655 129.496 122.820 0.035 0.000 1.851 2296 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 2296 A C 2.137 179.732 177.584 0.019 0.000 1.195 2296 A CA 1.263 53.316 52.037 0.025 0.000 0.622 2296 A CB -0.522 18.471 19.000 -0.012 0.000 0.831 2296 A HN 0.813 nan 8.150 nan 0.000 0.444 2297 K N -0.538 119.853 120.400 -0.014 0.000 2.362 2297 K HA -0.143 4.177 4.320 -0.000 0.000 0.202 2297 K C 1.536 178.151 176.600 0.025 0.000 1.045 2297 K CA 1.829 58.114 56.287 -0.003 0.000 0.936 2297 K CB -0.581 31.902 32.500 -0.029 0.000 0.747 2297 K HN 0.766 nan 8.250 nan 0.000 0.467 2298 T N -5.215 109.365 114.554 0.042 0.000 3.186 2298 T HA 0.277 4.627 4.350 -0.000 0.000 0.292 2298 T C 1.204 175.952 174.700 0.080 0.000 0.915 2298 T CA 0.883 63.018 62.100 0.059 0.000 0.902 2298 T CB 0.621 69.523 68.868 0.056 0.000 1.192 2298 T HN 0.265 nan 8.240 nan 0.000 0.563 2299 G N 1.646 110.501 108.800 0.091 0.000 2.253 2299 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.251 2299 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.251 2299 G C -0.147 174.841 174.900 0.146 0.000 0.998 2299 G CA 0.211 45.379 45.100 0.114 0.000 0.621 2299 G HN 0.727 nan 8.290 nan 0.000 0.524 2300 E N 0.376 120.664 120.200 0.146 0.000 2.442 2300 E HA 0.346 4.696 4.350 -0.000 0.000 0.262 2300 E C 0.460 177.182 176.600 0.203 0.000 1.004 2300 E CA 0.087 56.597 56.400 0.183 0.000 0.928 2300 E CB 0.817 30.615 29.700 0.163 0.000 0.937 2300 E HN 0.444 nan 8.360 nan 0.000 0.446 2301 I N 4.091 124.810 120.570 0.249 0.000 2.301 2301 I HA -0.016 4.154 4.170 -0.000 0.000 0.292 2301 I C 1.129 177.364 176.117 0.197 0.000 1.046 2301 I CA -0.088 61.334 61.300 0.203 0.000 1.282 2301 I CB 0.476 38.580 38.000 0.172 0.000 1.409 2301 I HN 0.498 nan 8.210 nan 0.000 0.484 2302 L N 5.873 127.195 121.223 0.164 0.000 2.209 2302 L HA 0.203 4.543 4.340 -0.000 0.000 0.207 2302 L C 1.005 177.936 176.870 0.101 0.000 1.094 2302 L CA 0.551 55.482 54.840 0.152 0.000 0.790 2302 L CB -0.105 42.049 42.059 0.159 0.000 0.932 2302 L HN 0.759 nan 8.230 nan 0.000 0.447 2303 A N -1.628 121.224 122.820 0.054 0.000 2.602 2303 A HA 0.706 5.026 4.320 -0.000 0.000 0.290 2303 A C -0.738 176.821 177.584 -0.041 0.000 1.114 2303 A CA -0.217 51.813 52.037 -0.011 0.000 0.683 2303 A CB 2.029 21.000 19.000 -0.047 0.000 1.281 2303 A HN -0.125 nan 8.150 nan 0.000 0.416 2304 T N -0.913 113.592 114.554 -0.081 0.000 2.983 2304 T HA 0.609 4.959 4.350 -0.000 0.000 0.357 2304 T C -1.174 173.475 174.700 -0.084 0.000 1.830 2304 T CA 0.625 62.664 62.100 -0.100 0.000 1.080 2304 T CB 1.211 69.937 68.868 -0.237 0.000 1.675 2304 T HN 2.370 nan 8.240 nan 0.000 0.497 2305 T N 1.724 116.242 114.554 -0.060 0.000 0.000 2305 T HA 0.594 4.944 4.350 -0.000 0.000 0.000 2305 T C -2.338 172.337 174.700 -0.042 0.000 0.000 2305 T CA -0.099 61.975 62.100 -0.043 0.000 0.000 2305 T CB 1.426 70.272 68.868 -0.037 0.000 0.000 2305 T HN 1.086 nan 8.240 nan 0.000 0.000 2306 Q N 1.727 121.504 119.800 -0.039 0.000 2.565 2306 Q HA 0.830 5.170 4.340 -0.000 0.000 0.294 2306 Q C -1.566 174.426 176.000 -0.014 0.000 1.005 2306 Q CA -1.319 54.456 55.803 -0.046 0.000 0.771 2306 Q CB 1.689 30.381 28.738 -0.077 0.000 1.486 2306 Q HN 0.429 nan 8.270 nan 0.000 0.422 2307 R N 0.774 121.282 120.500 0.012 0.000 2.750 2307 R HA 0.614 4.954 4.340 -0.000 0.000 0.281 2307 R C -2.696 173.674 176.300 0.117 0.000 0.972 2307 R CA -1.971 54.153 56.100 0.040 0.000 0.912 2307 R CB 1.924 32.228 30.300 0.006 0.000 1.187 2307 R HN 0.629 nan 8.270 nan 0.000 0.464 2308 P HA 0.239 nan 4.420 nan 0.000 0.282 2308 P C -0.402 177.021 177.300 0.204 0.000 1.249 2308 P CA -0.138 63.034 63.100 0.120 0.000 0.806 2308 P CB 1.408 33.181 31.700 0.120 0.000 0.984 2309 T N 0.764 115.394 114.554 0.127 0.000 2.292 2309 T HA 0.760 5.110 4.350 -0.000 0.000 0.205 2309 T C 0.135 174.825 174.700 -0.015 0.000 0.863 2309 T CA -0.277 61.822 62.100 -0.003 0.000 1.243 2309 T CB 0.091 68.857 68.868 -0.170 0.000 3.036 2309 T HN 0.632 nan 8.240 nan 0.000 0.446 2310 F N -1.776 118.116 119.950 -0.095 0.000 3.069 2310 F HA 0.434 4.961 4.527 -0.000 0.000 0.333 2310 F C -1.775 173.974 175.800 -0.085 0.000 1.111 2310 F CA -1.462 56.434 58.000 -0.174 0.000 0.868 2310 F CB 0.783 39.544 39.000 -0.398 0.000 1.409 2310 F HN 0.401 nan 8.300 nan 0.000 0.450 2311 N N 1.365 120.255 118.700 0.317 0.000 2.719 2311 N HA 0.325 5.065 4.740 -0.000 0.000 0.243 2311 N C 1.031 176.698 175.510 0.262 0.000 1.104 2311 N CA 0.715 53.889 53.050 0.207 0.000 0.981 2311 N CB 1.467 40.019 38.487 0.109 0.000 1.290 2311 N HN 0.989 nan 8.380 nan 0.000 0.513 2312 A N 2.987 125.985 122.820 0.298 0.000 2.016 2312 A HA -0.288 4.032 4.320 -0.000 0.000 0.225 2312 A C 1.765 179.250 177.584 -0.165 0.000 1.230 2312 A CA 2.366 54.479 52.037 0.128 0.000 0.678 2312 A CB -0.377 18.624 19.000 0.002 0.000 0.826 2312 A HN 0.689 nan 8.150 nan 0.000 0.484 2313 D N -1.973 118.437 120.400 0.016 0.000 2.202 2313 D HA -0.041 4.599 4.640 -0.000 0.000 0.214 2313 D C 2.012 178.329 176.300 0.029 0.000 0.967 2313 D CA 1.810 55.850 54.000 0.067 0.000 0.871 2313 D CB -0.024 40.867 40.800 0.151 0.000 1.020 2313 D HN 0.482 nan 8.370 nan 0.000 0.474 2314 T N -1.175 113.399 114.554 0.033 0.000 3.272 2314 T HA 0.018 4.368 4.350 -0.000 0.000 0.250 2314 T C 0.961 175.643 174.700 -0.030 0.000 1.082 2314 T CA 0.523 62.629 62.100 0.010 0.000 0.968 2314 T CB -0.533 68.348 68.868 0.021 0.000 1.015 2314 T HN 0.445 nan 8.240 nan 0.000 0.563 2315 K N 0.588 120.944 120.400 -0.074 0.000 3.086 2315 K HA -0.336 3.984 4.320 -0.000 0.000 0.288 2315 K C -0.045 176.459 176.600 -0.160 0.000 1.127 2315 K CA 1.668 57.847 56.287 -0.180 0.000 0.854 2315 K CB -2.200 30.207 32.500 -0.153 0.000 1.213 2315 K HN 0.760 nan 8.250 nan 0.000 0.456 2316 E N 0.228 120.389 120.200 -0.065 0.000 2.360 2316 E HA 0.250 4.600 4.350 -0.000 0.000 0.269 2316 E C 1.165 177.736 176.600 -0.048 0.000 1.022 2316 E CA 0.751 57.123 56.400 -0.046 0.000 0.887 2316 E CB 0.513 30.212 29.700 -0.002 0.000 0.990 2316 E HN 0.542 nan 8.360 nan 0.000 0.426 2317 G N 4.211 112.961 108.800 -0.084 0.000 2.195 2317 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.224 2317 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.224 2317 G C 0.263 174.977 174.900 -0.310 0.000 0.990 2317 G CA 0.025 45.068 45.100 -0.095 0.000 0.639 2317 G HN 0.575 nan 8.290 nan 0.000 0.514 2318 I N 3.549 123.860 120.570 -0.432 0.000 2.256 2318 I HA 0.279 4.449 4.170 -0.000 0.000 0.294 2318 I C 1.204 177.168 176.117 -0.256 0.000 1.127 2318 I CA 0.214 61.124 61.300 -0.651 0.000 1.247 2318 I CB 0.576 38.206 38.000 -0.618 0.000 1.460 2318 I HN 0.301 nan 8.210 nan 0.000 0.511 2319 T N 1.095 115.575 114.554 -0.124 0.000 2.910 2319 T HA 0.082 4.432 4.350 -0.000 0.000 0.293 2319 T C 1.245 175.991 174.700 0.075 0.000 1.015 2319 T CA -0.642 61.462 62.100 0.008 0.000 1.094 2319 T CB 1.745 70.644 68.868 0.051 0.000 0.968 2319 T HN 0.661 nan 8.240 nan 0.000 0.521 2320 E N 1.764 122.004 120.200 0.068 0.000 2.208 2320 E HA -0.260 4.090 4.350 -0.000 0.000 0.202 2320 E C 0.510 177.188 176.600 0.130 0.000 1.014 2320 E CA 1.823 58.283 56.400 0.099 0.000 0.819 2320 E CB -0.242 29.497 29.700 0.064 0.000 0.735 2320 E HN 0.895 nan 8.360 nan 0.000 0.469 2321 D N -0.197 120.265 120.400 0.103 0.000 3.058 2321 D HA 0.019 4.659 4.640 -0.000 0.000 0.272 2321 D C -0.477 175.874 176.300 0.085 0.000 1.350 2321 D CA -0.578 53.476 54.000 0.090 0.000 0.863 2321 D CB -1.026 39.804 40.800 0.050 0.000 1.064 2321 D HN 0.028 nan 8.370 nan 0.000 0.488 2322 F N 1.297 121.197 119.950 -0.084 0.000 2.411 2322 F HA 0.292 4.819 4.527 -0.000 0.000 0.350 2322 F C -0.228 175.389 175.800 -0.306 0.000 1.114 2322 F CA -0.974 56.877 58.000 -0.249 0.000 1.135 2322 F CB 1.344 40.062 39.000 -0.469 0.000 1.120 2322 F HN -0.194 nan 8.300 nan 0.000 0.495 2323 V N 7.660 127.024 119.914 -0.917 0.000 2.387 2323 V HA -0.114 4.006 4.120 -0.000 0.000 0.260 2323 V C -0.126 175.449 176.094 -0.866 0.000 1.054 2323 V CA -0.207 61.720 62.300 -0.622 0.000 0.967 2323 V CB -0.045 31.568 31.823 -0.350 0.000 1.036 2323 V HN 0.923 nan 8.190 nan 0.000 0.481 2324 W N 3.369 124.538 121.300 -0.219 0.000 3.434 2324 W HA 0.206 4.866 4.660 -0.000 0.000 0.297 2324 W C 1.338 177.838 176.519 -0.032 0.000 1.295 2324 W CA -0.489 56.860 57.345 0.006 0.000 1.731 2324 W CB 0.016 29.569 29.460 0.154 0.000 1.070 2324 W HN 0.420 nan 8.180 nan 0.000 0.726 2325 R N 2.299 122.796 120.500 -0.005 0.000 2.389 2325 R HA 0.005 4.345 4.340 -0.000 0.000 0.295 2325 R C -0.542 175.652 176.300 -0.177 0.000 1.075 2325 R CA 0.102 56.145 56.100 -0.095 0.000 1.005 2325 R CB 0.504 30.712 30.300 -0.155 0.000 0.987 2325 R HN -0.130 nan 8.270 nan 0.000 0.452 2326 D N 5.877 126.130 120.400 -0.246 0.000 2.412 2326 D HA 0.106 4.746 4.640 -0.000 0.000 0.224 2326 D C 1.532 177.586 176.300 -0.409 0.000 1.093 2326 D CA -0.376 53.471 54.000 -0.255 0.000 0.850 2326 D CB 0.751 41.450 40.800 -0.167 0.000 1.046 2326 D HN 0.616 nan 8.370 nan 0.000 0.507 2327 I N 3.030 123.402 120.570 -0.331 0.000 2.113 2327 I HA -0.357 3.813 4.170 -0.000 0.000 0.242 2327 I C 2.328 178.303 176.117 -0.236 0.000 1.057 2327 I CA 0.879 61.969 61.300 -0.349 0.000 1.314 2327 I CB -0.206 37.579 38.000 -0.358 0.000 1.022 2327 I HN 0.431 nan 8.210 nan 0.000 0.408 2328 L N 1.078 122.237 121.223 -0.106 0.000 2.010 2328 L HA -0.268 4.072 4.340 -0.000 0.000 0.219 2328 L C 2.031 178.965 176.870 0.105 0.000 1.077 2328 L CA 2.315 57.175 54.840 0.033 0.000 0.773 2328 L CB -0.686 41.438 42.059 0.109 0.000 0.892 2328 L HN 0.565 nan 8.230 nan 0.000 0.436 2329 Y N -3.209 117.104 120.300 0.020 0.000 2.675 2329 Y HA 0.497 5.047 4.550 -0.000 0.000 0.248 2329 Y C 0.799 176.689 175.900 -0.016 0.000 1.161 2329 Y CA -0.641 57.497 58.100 0.063 0.000 1.203 2329 Y CB -0.774 37.839 38.460 0.255 0.000 1.262 2329 Y HN 0.257 nan 8.280 nan 0.000 0.544 2330 Q N 1.240 120.542 119.800 -0.829 0.000 2.215 2330 Q HA 0.396 4.736 4.340 -0.000 0.000 0.337 2330 Q C -0.721 174.259 176.000 -1.700 0.000 0.887 2330 Q CA -0.274 54.760 55.803 -1.282 0.000 1.134 2330 Q CB 1.141 29.358 28.738 -0.869 0.000 1.303 2330 Q HN 0.262 nan 8.270 nan 0.000 0.421 2331 S N 0.507 115.531 115.700 -1.126 0.000 2.543 2331 S HA 0.448 4.918 4.470 -0.000 0.000 0.273 2331 S C -1.867 172.738 174.600 0.007 0.000 1.152 2331 S CA -0.744 57.138 58.200 -0.530 0.000 0.910 2331 S CB 0.917 63.894 63.200 -0.373 0.000 1.105 2331 S HN 0.231 nan 8.310 nan 0.000 0.465 2332 N N 3.432 122.253 118.700 0.202 0.000 2.392 2332 N HA 0.596 5.336 4.740 -0.000 0.000 0.283 2332 N C -1.044 174.626 175.510 0.268 0.000 1.003 2332 N CA -0.205 52.991 53.050 0.243 0.000 0.892 2332 N CB 1.271 39.893 38.487 0.225 0.000 1.193 2332 N HN 0.704 nan 8.380 nan 0.000 0.487 2333 Y N -1.452 118.866 120.300 0.029 0.000 2.715 2333 Y HA 0.557 5.107 4.550 -0.000 0.000 0.331 2333 Y C -0.716 175.196 175.900 0.020 0.000 1.197 2333 Y CA -1.417 56.694 58.100 0.017 0.000 1.079 2333 Y CB 0.954 39.408 38.460 -0.010 0.000 1.298 2333 Y HN 0.200 nan 8.280 nan 0.000 0.477 2334 E N 3.286 123.524 120.200 0.064 0.000 2.063 2334 E HA 0.223 4.573 4.350 -0.000 0.000 0.265 2334 E C -2.062 174.538 176.600 -0.000 0.000 0.919 2334 E CA -2.153 54.218 56.400 -0.048 0.000 0.756 2334 E CB 1.348 31.053 29.700 0.008 0.000 1.120 2334 E HN 0.469 nan 8.360 nan 0.000 0.414 2335 P HA -0.267 nan 4.420 nan 0.000 0.219 2335 P C 0.999 178.341 177.300 0.069 0.000 1.144 2335 P CA 1.624 64.735 63.100 0.018 0.000 0.806 2335 P CB 0.308 31.925 31.700 -0.138 0.000 0.771 2336 G N 0.346 109.152 108.800 0.010 0.000 2.596 2336 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.295 2336 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.295 2336 G C 1.155 176.089 174.900 0.056 0.000 1.240 2336 G CA 0.856 45.970 45.100 0.024 0.000 0.985 2336 G HN 0.248 nan 8.290 nan 0.000 0.555 2337 S N 0.760 116.484 115.700 0.040 0.000 2.488 2337 S HA 0.008 4.478 4.470 -0.000 0.000 0.246 2337 S C 2.540 177.205 174.600 0.108 0.000 0.992 2337 S CA 1.944 60.180 58.200 0.060 0.000 0.963 2337 S CB -0.464 62.745 63.200 0.015 0.000 0.754 2337 S HN 1.528 nan 8.310 nan 0.000 0.519 2338 A N 1.036 123.946 122.820 0.150 0.000 1.970 2338 A HA 0.092 4.412 4.320 -0.000 0.000 0.216 2338 A C 1.961 179.639 177.584 0.157 0.000 1.170 2338 A CA 1.149 53.328 52.037 0.237 0.000 0.645 2338 A CB -0.464 18.744 19.000 0.348 0.000 0.816 2338 A HN 0.467 nan 8.150 nan 0.000 0.447 2339 M N 0.156 119.777 119.600 0.036 0.000 2.446 2339 M HA -0.037 4.443 4.480 -0.000 0.000 0.263 2339 M C 1.433 177.748 176.300 0.026 0.000 1.066 2339 M CA 1.451 56.720 55.300 -0.051 0.000 1.087 2339 M CB -0.542 31.990 32.600 -0.113 0.000 1.406 2339 M HN 0.336 nan 8.290 nan 0.000 0.459 2340 K N -1.185 119.256 120.400 0.069 0.000 2.211 2340 K HA -0.049 4.271 4.320 -0.000 0.000 0.203 2340 K C 1.734 178.366 176.600 0.053 0.000 1.050 2340 K CA 1.075 57.396 56.287 0.057 0.000 0.945 2340 K CB -0.249 32.285 32.500 0.056 0.000 0.732 2340 K HN 0.215 nan 8.250 nan 0.000 0.451 2341 V N 1.005 120.977 119.914 0.097 0.000 2.332 2341 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 2341 V C 1.873 177.999 176.094 0.054 0.000 1.055 2341 V CA 1.699 64.060 62.300 0.102 0.000 1.038 2341 V CB -0.291 31.664 31.823 0.220 0.000 0.651 2341 V HN 0.335 nan 8.190 nan 0.000 0.450 2342 M N -0.868 118.729 119.600 -0.006 0.000 2.561 2342 M HA 0.005 4.484 4.480 -0.000 0.000 0.238 2342 M C 1.738 178.114 176.300 0.128 0.000 1.131 2342 M CA 1.052 56.277 55.300 -0.124 0.000 1.046 2342 M CB -0.389 31.887 32.600 -0.541 0.000 1.532 2342 M HN 0.276 nan 8.290 nan 0.000 0.497 2343 T N -0.286 114.337 114.554 0.114 0.000 2.901 2343 T HA 0.046 4.396 4.350 -0.000 0.000 0.252 2343 T C 1.627 176.283 174.700 -0.073 0.000 1.035 2343 T CA 0.544 62.624 62.100 -0.034 0.000 1.142 2343 T CB -0.191 68.526 68.868 -0.250 0.000 0.869 2343 T HN 0.243 nan 8.240 nan 0.000 0.442 2344 L N 2.033 123.232 121.223 -0.040 0.000 2.079 2344 L HA 0.094 4.434 4.340 -0.000 0.000 0.210 2344 L C 2.524 179.376 176.870 -0.029 0.000 1.081 2344 L CA 1.790 56.604 54.840 -0.044 0.000 0.752 2344 L CB -1.182 40.823 42.059 -0.089 0.000 0.896 2344 L HN 0.228 nan 8.230 nan 0.000 0.433 2345 A N -1.357 121.473 122.820 0.017 0.000 1.845 2345 A HA -0.201 4.118 4.320 -0.000 0.000 0.215 2345 A C 2.394 179.981 177.584 0.006 0.000 1.195 2345 A CA 2.105 54.177 52.037 0.058 0.000 0.616 2345 A CB -1.139 17.969 19.000 0.180 0.000 0.832 2345 A HN 0.511 nan 8.150 nan 0.000 0.443 2346 S N -0.526 115.150 115.700 -0.039 0.000 2.383 2346 S HA -0.137 4.333 4.470 -0.000 0.000 0.229 2346 S C 2.320 176.683 174.600 -0.396 0.000 1.030 2346 S CA 1.448 59.365 58.200 -0.472 0.000 1.002 2346 S CB -0.331 62.525 63.200 -0.573 0.000 0.829 2346 S HN 0.630 nan 8.310 nan 0.000 0.467 2347 S N 0.804 116.403 115.700 -0.169 0.000 2.383 2347 S HA 0.073 4.543 4.470 -0.000 0.000 0.227 2347 S C 1.716 176.326 174.600 0.017 0.000 1.026 2347 S CA 0.746 58.916 58.200 -0.051 0.000 0.981 2347 S CB -0.293 62.922 63.200 0.026 0.000 0.818 2347 S HN 0.451 nan 8.310 nan 0.000 0.472 2348 I N 1.011 121.569 120.570 -0.019 0.000 2.406 2348 I HA -0.098 4.072 4.170 -0.000 0.000 0.249 2348 I C 2.215 178.331 176.117 -0.002 0.000 1.122 2348 I CA 1.429 62.706 61.300 -0.039 0.000 1.431 2348 I CB -0.413 37.523 38.000 -0.107 0.000 1.087 2348 I HN 0.323 nan 8.210 nan 0.000 0.424 2349 D N 1.251 121.653 120.400 0.003 0.000 2.219 2349 D HA -0.242 4.398 4.640 -0.000 0.000 0.205 2349 D C 1.632 178.006 176.300 0.122 0.000 0.970 2349 D CA 0.984 55.023 54.000 0.065 0.000 0.851 2349 D CB -0.122 40.745 40.800 0.111 0.000 0.943 2349 D HN 0.097 nan 8.370 nan 0.000 0.488 2350 N N 0.331 119.091 118.700 0.099 0.000 2.362 2350 N HA -0.043 4.697 4.740 -0.000 0.000 0.211 2350 N C 0.029 175.607 175.510 0.112 0.000 1.170 2350 N CA 0.079 53.232 53.050 0.172 0.000 0.828 2350 N CB -0.637 37.964 38.487 0.191 0.000 1.034 2350 N HN 0.130 nan 8.380 nan 0.000 0.475 2351 N N -0.265 118.485 118.700 0.084 0.000 2.644 2351 N HA -0.280 4.460 4.740 -0.000 0.000 0.248 2351 N C 0.142 175.704 175.510 0.087 0.000 1.150 2351 N CA 1.241 54.334 53.050 0.072 0.000 0.727 2351 N CB -0.877 37.647 38.487 0.062 0.000 1.091 2351 N HN 0.617 nan 8.380 nan 0.000 0.556 2352 T N -2.934 111.681 114.554 0.103 0.000 4.042 2352 T HA 0.422 4.772 4.350 -0.000 0.000 0.252 2352 T C 0.405 175.239 174.700 0.222 0.000 0.951 2352 T CA 0.430 62.595 62.100 0.108 0.000 1.528 2352 T CB 0.078 68.987 68.868 0.068 0.000 2.404 2352 T HN 0.435 nan 8.240 nan 0.000 0.398 2353 F N 1.026 120.955 119.950 -0.035 0.000 2.159 2353 F HA 0.004 4.531 4.527 -0.000 0.000 0.522 2353 F C -2.655 173.120 175.800 -0.041 0.000 1.290 2353 F CA -1.176 56.816 58.000 -0.015 0.000 1.674 2353 F CB -1.927 37.087 39.000 0.022 0.000 2.679 2353 F HN 0.554 nan 8.300 nan 0.000 0.723 2354 P HA 0.408 nan 4.420 nan 0.000 0.279 2354 P C -0.836 176.224 177.300 -0.401 0.000 1.278 2354 P CA 1.030 63.675 63.100 -0.757 0.000 0.846 2354 P CB 0.375 31.058 31.700 -1.695 0.000 1.218 2355 S N -3.433 112.108 115.700 -0.266 0.000 2.615 2355 S HA 0.412 4.882 4.470 -0.000 0.000 0.333 2355 S C 0.533 175.141 174.600 0.013 0.000 0.834 2355 S CA -0.176 58.038 58.200 0.023 0.000 0.788 2355 S CB -0.342 62.879 63.200 0.036 0.000 1.061 2355 S HN 1.043 nan 8.310 nan 0.000 0.497 2356 G N 3.383 112.249 108.800 0.109 0.000 2.249 2356 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.269 2356 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.269 2356 G C 0.576 175.526 174.900 0.084 0.000 0.979 2356 G CA 1.780 46.905 45.100 0.042 0.000 0.644 2356 G HN 1.698 nan 8.290 nan 0.000 0.546 2357 E N -0.900 119.291 120.200 -0.015 0.000 2.444 2357 E HA 0.385 4.735 4.350 -0.000 0.000 0.191 2357 E C 1.466 177.993 176.600 -0.121 0.000 1.041 2357 E CA -0.034 56.310 56.400 -0.094 0.000 0.883 2357 E CB -0.077 29.503 29.700 -0.200 0.000 1.024 2357 E HN 0.481 nan 8.360 nan 0.000 0.470 2358 Y N -0.537 119.817 120.300 0.089 0.000 2.396 2358 Y HA 0.227 4.777 4.550 -0.000 0.000 0.292 2358 Y C 0.487 176.410 175.900 0.038 0.000 1.128 2358 Y CA 0.048 58.168 58.100 0.033 0.000 1.194 2358 Y CB 0.187 38.679 38.460 0.053 0.000 1.124 2358 Y HN 0.068 nan 8.280 nan 0.000 0.543 2359 F N 2.102 122.115 119.950 0.105 0.000 2.869 2359 F HA 0.101 4.628 4.527 -0.000 0.000 0.298 2359 F C 0.717 176.526 175.800 0.016 0.000 1.235 2359 F CA -0.748 57.281 58.000 0.048 0.000 1.402 2359 F CB -1.256 37.765 39.000 0.036 0.000 1.142 2359 F HN 0.116 nan 8.300 nan 0.000 0.529 2398 V N -0.711 119.074 119.914 -0.216 0.000 2.446 2398 V HA 0.122 4.242 4.120 -0.000 0.000 0.244 2398 V C 2.382 178.441 176.094 -0.059 0.000 1.039 2398 V CA 2.159 64.380 62.300 -0.131 0.000 1.045 2398 V CB -0.782 30.979 31.823 -0.103 0.000 0.681 2398 V HN 0.384 nan 8.190 nan 0.000 0.459 2399 G N 0.487 109.256 108.800 -0.053 0.000 2.511 2399 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.216 2399 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.216 2399 G C 1.500 176.413 174.900 0.021 0.000 1.218 2399 G CA 1.117 46.237 45.100 0.033 0.000 0.788 2399 G HN 0.301 nan 8.290 nan 0.000 0.560 2400 M N 1.555 121.145 119.600 -0.016 0.000 2.337 2400 M HA -0.055 4.425 4.480 -0.000 0.000 0.261 2400 M C 2.853 179.157 176.300 0.006 0.000 1.067 2400 M CA 1.343 56.633 55.300 -0.016 0.000 1.074 2400 M CB -1.445 31.193 32.600 0.062 0.000 1.395 2400 M HN 0.399 nan 8.290 nan 0.000 0.431 2401 S N -0.090 115.640 115.700 0.050 0.000 2.496 2401 S HA 0.164 4.634 4.470 -0.000 0.000 0.224 2401 S C 2.011 176.602 174.600 -0.015 0.000 0.996 2401 S CA 0.542 58.790 58.200 0.080 0.000 0.927 2401 S CB -0.083 63.158 63.200 0.068 0.000 0.774 2401 S HN 0.435 nan 8.310 nan 0.000 0.524 2402 L N -0.221 120.978 121.223 -0.040 0.000 2.388 2402 L HA 0.222 4.562 4.340 -0.000 0.000 0.209 2402 L C 2.035 178.822 176.870 -0.140 0.000 1.061 2402 L CA 0.173 54.960 54.840 -0.090 0.000 0.834 2402 L CB -0.388 41.614 42.059 -0.096 0.000 1.029 2402 L HN 0.261 nan 8.230 nan 0.000 0.473 2403 L N 0.317 121.467 121.223 -0.122 0.000 2.081 2403 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 2403 L C 2.756 179.485 176.870 -0.235 0.000 1.080 2403 L CA 1.294 56.041 54.840 -0.155 0.000 0.754 2403 L CB -0.398 41.578 42.059 -0.138 0.000 0.893 2403 L HN 0.380 nan 8.230 nan 0.000 0.433 2404 E N -0.193 119.831 120.200 -0.295 0.000 2.051 2404 E HA -0.190 4.160 4.350 -0.000 0.000 0.189 2404 E C 2.126 178.631 176.600 -0.159 0.000 0.979 2404 E CA 0.995 57.180 56.400 -0.359 0.000 0.803 2404 E CB 0.027 29.477 29.700 -0.416 0.000 0.761 2404 E HN 0.360 nan 8.360 nan 0.000 0.451 2405 Q N 0.285 120.019 119.800 -0.111 0.000 2.135 2405 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 2405 Q C 2.219 178.180 176.000 -0.066 0.000 0.981 2405 Q CA 2.275 58.039 55.803 -0.066 0.000 0.856 2405 Q CB -0.358 28.345 28.738 -0.058 0.000 0.902 2405 Q HN 0.360 nan 8.270 nan 0.000 0.425 2406 K N 0.449 120.790 120.400 -0.097 0.000 2.228 2406 K HA 0.060 4.380 4.320 -0.000 0.000 0.202 2406 K C 1.654 178.229 176.600 -0.042 0.000 1.051 2406 K CA 1.210 57.444 56.287 -0.090 0.000 0.960 2406 K CB -0.351 32.061 32.500 -0.147 0.000 0.743 2406 K HN 0.309 nan 8.250 nan 0.000 0.458 2407 M N -0.857 118.724 119.600 -0.033 0.000 2.501 2407 M HA 0.220 4.700 4.480 -0.000 0.000 0.261 2407 M C 0.627 176.976 176.300 0.082 0.000 1.129 2407 M CA 1.215 56.535 55.300 0.033 0.000 1.126 2407 M CB 0.414 33.030 32.600 0.027 0.000 1.359 2407 M HN 0.489 nan 8.290 nan 0.000 0.471 2408 G N 1.290 110.126 108.800 0.060 0.000 2.719 2408 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.686 2408 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.686 2408 G C -0.545 174.450 174.900 0.159 0.000 1.201 2408 G CA -0.295 44.859 45.100 0.089 0.000 0.768 2408 G HN 0.400 nan 8.290 nan 0.000 0.629 2409 D N 0.741 121.227 120.400 0.142 0.000 2.084 2409 D HA -0.060 4.580 4.640 -0.000 0.000 0.194 2409 D C 2.860 179.277 176.300 0.196 0.000 0.990 2409 D CA 2.196 56.312 54.000 0.193 0.000 0.826 2409 D CB -0.579 40.292 40.800 0.119 0.000 0.971 2409 D HN 0.961 nan 8.370 nan 0.000 0.453 2410 A N 0.854 123.748 122.820 0.124 0.000 1.869 2410 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 2410 A C 2.447 180.105 177.584 0.124 0.000 1.203 2410 A CA 2.904 54.995 52.037 0.091 0.000 0.638 2410 A CB -1.282 17.755 19.000 0.060 0.000 0.831 2410 A HN 0.254 nan 8.150 nan 0.000 0.450 2411 T N -1.601 113.056 114.554 0.171 0.000 2.699 2411 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 2411 T C 1.528 176.494 174.700 0.444 0.000 1.036 2411 T CA 1.315 63.560 62.100 0.242 0.000 1.147 2411 T CB -0.352 68.689 68.868 0.289 0.000 0.862 2411 T HN 0.652 nan 8.240 nan 0.000 0.446 2412 W N 1.190 122.601 121.300 0.185 0.000 2.352 2412 W HA -0.066 4.594 4.660 -0.000 0.000 0.322 2412 W C 2.054 178.668 176.519 0.158 0.000 1.208 2412 W CA 0.521 57.977 57.345 0.185 0.000 1.286 2412 W CB -0.511 28.994 29.460 0.075 0.000 1.167 2412 W HN 0.161 nan 8.180 nan 0.000 0.469 2413 L N 1.113 122.350 121.223 0.024 0.000 2.189 2413 L HA -0.281 4.059 4.340 -0.000 0.000 0.214 2413 L C 2.055 178.864 176.870 -0.101 0.000 1.097 2413 L CA 2.235 56.989 54.840 -0.142 0.000 0.764 2413 L CB -0.697 41.331 42.059 -0.050 0.000 0.900 2413 L HN 0.066 nan 8.230 nan 0.000 0.436 2414 D N -1.276 119.107 120.400 -0.030 0.000 2.075 2414 D HA -0.266 4.374 4.640 -0.000 0.000 0.196 2414 D C 1.958 178.190 176.300 -0.114 0.000 0.985 2414 D CA 1.643 55.584 54.000 -0.098 0.000 0.834 2414 D CB -0.237 40.463 40.800 -0.166 0.000 0.987 2414 D HN 0.279 nan 8.370 nan 0.000 0.452 2415 Y N 0.604 120.889 120.300 -0.024 0.000 2.102 2415 Y HA -0.212 4.338 4.550 -0.000 0.000 0.280 2415 Y C 2.413 178.304 175.900 -0.016 0.000 1.178 2415 Y CA 1.213 59.321 58.100 0.013 0.000 1.146 2415 Y CB -0.591 37.983 38.460 0.190 0.000 0.968 2415 Y HN 0.086 nan 8.280 nan 0.000 0.504 2416 L N -0.081 121.044 121.223 -0.164 0.000 1.971 2416 L HA -0.324 4.016 4.340 -0.000 0.000 0.215 2416 L C 2.672 179.612 176.870 0.115 0.000 1.072 2416 L CA 2.222 56.953 54.840 -0.182 0.000 0.758 2416 L CB -1.122 40.636 42.059 -0.501 0.000 0.889 2416 L HN 0.244 nan 8.230 nan 0.000 0.433 2417 K N 0.024 120.420 120.400 -0.005 0.000 2.520 2417 K HA -0.197 4.123 4.320 -0.000 0.000 0.197 2417 K C 1.971 178.562 176.600 -0.016 0.000 1.043 2417 K CA 1.640 57.930 56.287 0.005 0.000 0.944 2417 K CB -0.717 31.759 32.500 -0.040 0.000 0.770 2417 K HN 0.237 nan 8.250 nan 0.000 0.480 2418 R N -0.798 119.690 120.500 -0.020 0.000 2.051 2418 R HA 0.175 4.515 4.340 -0.000 0.000 0.225 2418 R C 1.527 177.744 176.300 -0.139 0.000 1.155 2418 R CA 1.226 57.238 56.100 -0.147 0.000 0.945 2418 R CB -0.467 29.683 30.300 -0.250 0.000 0.840 2418 R HN 0.408 nan 8.270 nan 0.000 0.432 2419 F N 1.909 121.873 119.950 0.023 0.000 2.667 2419 F HA -0.023 4.504 4.527 -0.000 0.000 0.295 2419 F C 0.443 176.072 175.800 -0.285 0.000 1.185 2419 F CA 1.061 59.032 58.000 -0.048 0.000 1.479 2419 F CB -0.250 38.850 39.000 0.167 0.000 1.116 2419 F HN 0.099 nan 8.300 nan 0.000 0.606 2420 K N -1.480 118.892 120.400 -0.047 0.000 3.129 2420 K HA -0.232 4.088 4.320 -0.000 0.000 0.273 2420 K C -0.341 176.121 176.600 -0.231 0.000 1.123 2420 K CA 0.032 56.240 56.287 -0.132 0.000 0.800 2420 K CB -2.102 30.312 32.500 -0.144 0.000 1.238 2420 K HN 0.160 nan 8.250 nan 0.000 0.492 2421 F N 0.659 120.596 119.950 -0.022 0.000 2.429 2421 F HA 0.327 4.854 4.527 -0.000 0.000 0.348 2421 F C 1.841 177.610 175.800 -0.052 0.000 1.109 2421 F CA 1.393 59.358 58.000 -0.058 0.000 1.232 2421 F CB 1.295 40.231 39.000 -0.106 0.000 1.157 2421 F HN 0.227 nan 8.300 nan 0.000 0.564 2422 G N 1.075 109.949 108.800 0.123 0.000 2.234 2422 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.235 2422 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.235 2422 G C -0.519 174.402 174.900 0.035 0.000 0.997 2422 G CA -0.081 45.058 45.100 0.065 0.000 0.623 2422 G HN 0.615 nan 8.290 nan 0.000 0.514 2423 V N 2.190 122.113 119.914 0.016 0.000 2.513 2423 V HA 0.611 4.731 4.120 -0.000 0.000 0.299 2423 V C -2.077 174.022 176.094 0.008 0.000 1.035 2423 V CA -1.850 60.457 62.300 0.012 0.000 0.889 2423 V CB 1.974 33.797 31.823 0.000 0.000 0.988 2423 V HN 0.126 nan 8.190 nan 0.000 0.440 2424 P HA 0.205 nan 4.420 nan 0.000 0.275 2424 P C 1.090 178.422 177.300 0.054 0.000 1.228 2424 P CA -0.219 62.922 63.100 0.070 0.000 0.786 2424 P CB 0.641 32.416 31.700 0.126 0.000 0.927 2425 T N 0.275 114.848 114.554 0.031 0.000 2.684 2425 T HA -0.213 4.137 4.350 -0.000 0.000 0.267 2425 T C 0.687 175.464 174.700 0.128 0.000 1.036 2425 T CA 0.736 62.850 62.100 0.024 0.000 1.148 2425 T CB -0.861 67.967 68.868 -0.067 0.000 0.863 2425 T HN 0.497 nan 8.240 nan 0.000 0.436 2426 R N 0.426 121.058 120.500 0.219 0.000 3.407 2426 R HA -0.120 4.220 4.340 -0.000 0.000 0.277 2426 R C 0.544 177.063 176.300 0.366 0.000 1.119 2426 R CA 0.459 56.723 56.100 0.273 0.000 0.750 2426 R CB -2.655 27.746 30.300 0.169 0.000 1.258 2426 R HN 0.646 nan 8.270 nan 0.000 0.432 2427 F N -2.063 117.962 119.950 0.126 0.000 2.604 2427 F HA 0.303 4.830 4.527 -0.000 0.000 0.298 2427 F C 1.383 177.265 175.800 0.137 0.000 1.131 2427 F CA 1.140 59.216 58.000 0.127 0.000 1.457 2427 F CB -0.153 38.954 39.000 0.178 0.000 1.095 2427 F HN 0.201 nan 8.300 nan 0.000 0.574 2428 G N 0.553 109.379 108.800 0.044 0.000 4.205 2428 G HA2 0.009 3.969 3.960 -0.000 0.000 0.200 2428 G HA3 0.009 3.969 3.960 -0.000 0.000 0.200 2428 G C -0.046 174.811 174.900 -0.072 0.000 1.190 2428 G CA -0.186 44.871 45.100 -0.073 0.000 0.861 2428 G HN 0.248 nan 8.290 nan 0.000 0.326 2429 L N 3.299 124.352 121.223 -0.284 0.000 2.485 2429 L HA 0.370 4.710 4.340 -0.000 0.000 0.275 2429 L C 1.158 178.047 176.870 0.031 0.000 1.207 2429 L CA 0.360 55.048 54.840 -0.253 0.000 0.855 2429 L CB 0.367 41.971 42.059 -0.758 0.000 1.114 2429 L HN 0.440 nan 8.230 nan 0.000 0.485 2430 T N -1.495 113.121 114.554 0.103 0.000 2.913 2430 T HA 0.227 4.577 4.350 -0.000 0.000 0.297 2430 T C -0.107 174.768 174.700 0.291 0.000 1.029 2430 T CA -0.591 61.611 62.100 0.171 0.000 1.104 2430 T CB 0.935 69.871 68.868 0.114 0.000 0.964 2430 T HN 0.717 nan 8.240 nan 0.000 0.532 2431 D N -0.424 120.130 120.400 0.257 0.000 2.800 2431 D HA -0.120 4.520 4.640 -0.000 0.000 0.248 2431 D C -0.294 176.266 176.300 0.434 0.000 1.091 2431 D CA 0.628 54.795 54.000 0.279 0.000 0.746 2431 D CB -0.668 40.284 40.800 0.254 0.000 1.062 2431 D HN 0.762 nan 8.370 nan 0.000 0.431 2432 E N 0.134 120.596 120.200 0.437 0.000 2.242 2432 E HA 0.309 4.659 4.350 -0.000 0.000 0.275 2432 E C -0.314 176.556 176.600 0.450 0.000 1.002 2432 E CA -0.743 56.001 56.400 0.573 0.000 0.841 2432 E CB 0.711 30.738 29.700 0.545 0.000 1.109 2432 E HN 0.076 nan 8.360 nan 0.000 0.394 2433 Y N 0.646 121.036 120.300 0.149 0.000 2.304 2433 Y HA 0.243 4.793 4.550 -0.000 0.000 0.327 2433 Y C 0.942 176.890 175.900 0.079 0.000 1.209 2433 Y CA -0.194 57.959 58.100 0.089 0.000 1.299 2433 Y CB 1.465 39.960 38.460 0.058 0.000 1.249 2433 Y HN 0.655 nan 8.280 nan 0.000 0.519 2434 A N 1.676 124.567 122.820 0.118 0.000 2.014 2434 A HA 0.479 4.799 4.320 -0.000 0.000 0.210 2434 A C 1.218 178.852 177.584 0.084 0.000 1.188 2434 A CA 0.694 52.779 52.037 0.080 0.000 0.731 2434 A CB -0.793 18.225 19.000 0.030 0.000 0.858 2434 A HN 1.302 nan 8.150 nan 0.000 0.464 2435 G N -1.399 107.460 108.800 0.098 0.000 2.796 2435 G HA2 0.048 4.008 3.960 -0.000 0.000 0.571 2435 G HA3 0.048 4.008 3.960 -0.000 0.000 0.571 2435 G C -0.574 174.355 174.900 0.049 0.000 1.370 2435 G CA 0.034 45.183 45.100 0.082 0.000 0.856 2435 G HN 0.898 nan 8.290 nan 0.000 0.538 2436 Q N -0.963 118.854 119.800 0.028 0.000 2.305 2436 Q HA 0.651 4.991 4.340 -0.000 0.000 0.271 2436 Q C -0.293 175.700 176.000 -0.012 0.000 1.046 2436 Q CA -0.952 54.857 55.803 0.010 0.000 0.798 2436 Q CB 1.380 30.121 28.738 0.005 0.000 1.286 2436 Q HN 0.636 nan 8.270 nan 0.000 0.435 2437 L N 5.807 127.021 121.223 -0.014 0.000 2.380 2437 L HA 0.398 4.738 4.340 -0.000 0.000 0.273 2437 L C -1.779 175.060 176.870 -0.052 0.000 1.138 2437 L CA -1.233 53.581 54.840 -0.043 0.000 0.832 2437 L CB 0.205 42.243 42.059 -0.035 0.000 1.124 2437 L HN 0.729 nan 8.230 nan 0.000 0.454 2438 P HA -0.033 nan 4.420 nan 0.000 0.269 2438 P C -0.269 177.009 177.300 -0.036 0.000 1.200 2438 P CA -0.224 62.842 63.100 -0.057 0.000 0.779 2438 P CB 0.563 32.223 31.700 -0.067 0.000 0.841 2439 A N 1.211 124.015 122.820 -0.026 0.000 2.275 2439 A HA 0.005 4.325 4.320 -0.000 0.000 0.276 2439 A C 0.362 177.939 177.584 -0.012 0.000 1.232 2439 A CA 0.344 52.370 52.037 -0.017 0.000 0.814 2439 A CB -0.590 18.401 19.000 -0.015 0.000 1.145 2439 A HN 0.560 nan 8.150 nan 0.000 0.508 2440 D N -0.408 119.988 120.400 -0.007 0.000 2.505 2440 D HA 0.458 5.098 4.640 -0.000 0.000 0.242 2440 D C -0.697 175.604 176.300 0.002 0.000 1.136 2440 D CA 0.046 54.045 54.000 -0.001 0.000 0.954 2440 D CB -0.452 40.347 40.800 -0.002 0.000 1.002 2440 D HN 0.707 nan 8.370 nan 0.000 0.512 2441 N N 0.310 119.014 118.700 0.006 0.000 3.348 2441 N HA 0.135 4.875 4.740 -0.000 0.000 0.233 2441 N C 0.731 176.250 175.510 0.015 0.000 1.440 2441 N CA -0.839 52.216 53.050 0.008 0.000 0.887 2441 N CB 0.565 39.052 38.487 0.001 0.000 1.410 2441 N HN -0.037 nan 8.380 nan 0.000 0.502 2442 I N -1.477 119.103 120.570 0.017 0.000 2.090 2442 I HA -0.153 4.016 4.170 -0.000 0.000 0.236 2442 I C 1.562 177.693 176.117 0.022 0.000 1.064 2442 I CA 1.191 62.506 61.300 0.024 0.000 1.324 2442 I CB -1.022 36.991 38.000 0.022 0.000 1.044 2442 I HN 0.392 nan 8.210 nan 0.000 0.399 2443 V N 1.757 121.681 119.914 0.017 0.000 2.236 2443 V HA -0.338 3.782 4.120 -0.000 0.000 0.255 2443 V C 2.703 178.795 176.094 -0.003 0.000 1.068 2443 V CA 2.619 64.929 62.300 0.016 0.000 1.044 2443 V CB -1.678 30.150 31.823 0.007 0.000 0.653 2443 V HN 0.535 nan 8.190 nan 0.000 0.448 2444 S N 0.679 116.372 115.700 -0.011 0.000 2.398 2444 S HA -0.203 4.267 4.470 -0.000 0.000 0.220 2444 S C 1.884 176.466 174.600 -0.030 0.000 1.038 2444 S CA 2.237 60.421 58.200 -0.027 0.000 1.080 2444 S CB -0.610 62.578 63.200 -0.021 0.000 1.039 2444 S HN 0.535 nan 8.310 nan 0.000 0.419 2445 I N 2.199 122.776 120.570 0.012 0.000 2.145 2445 I HA -0.319 3.851 4.170 -0.000 0.000 0.244 2445 I C 2.760 178.937 176.117 0.099 0.000 1.075 2445 I CA 1.348 62.698 61.300 0.083 0.000 1.332 2445 I CB -0.732 37.338 38.000 0.117 0.000 1.033 2445 I HN 0.320 nan 8.210 nan 0.000 0.410 2446 A N 0.246 123.086 122.820 0.033 0.000 1.917 2446 A HA -0.294 4.026 4.320 -0.000 0.000 0.219 2446 A C 2.265 179.748 177.584 -0.169 0.000 1.182 2446 A CA 2.038 54.072 52.037 -0.005 0.000 0.633 2446 A CB -0.674 18.347 19.000 0.036 0.000 0.819 2446 A HN 0.575 nan 8.150 nan 0.000 0.448 2447 Q N -0.185 119.440 119.800 -0.292 0.000 2.137 2447 Q HA -0.065 4.275 4.340 -0.000 0.000 0.198 2447 Q C 2.042 177.509 176.000 -0.889 0.000 0.960 2447 Q CA 1.247 56.517 55.803 -0.887 0.000 0.847 2447 Q CB -0.215 28.313 28.738 -0.351 0.000 0.915 2447 Q HN 0.806 nan 8.270 nan 0.000 0.448 2448 S N 0.338 115.848 115.700 -0.315 0.000 2.723 2448 S HA -0.044 4.426 4.470 -0.000 0.000 0.231 2448 S C 1.485 176.169 174.600 0.139 0.000 0.967 2448 S CA 0.780 58.898 58.200 -0.136 0.000 0.958 2448 S CB -0.235 62.925 63.200 -0.067 0.000 0.778 2448 S HN 0.312 nan 8.310 nan 0.000 0.537 2449 S N 0.300 115.975 115.700 -0.042 0.000 2.539 2449 S HA 0.321 4.791 4.470 -0.000 0.000 0.221 2449 S C 0.382 174.966 174.600 -0.027 0.000 0.987 2449 S CA -0.709 57.501 58.200 0.015 0.000 0.929 2449 S CB -0.631 62.250 63.200 -0.531 0.000 0.832 2449 S HN 0.748 nan 8.310 nan 0.000 0.492 2450 F N -1.238 118.724 119.950 0.019 0.000 2.739 2450 F HA 0.767 5.294 4.527 -0.000 0.000 0.366 2450 F C 0.978 176.764 175.800 -0.023 0.000 1.279 2450 F CA -0.821 57.165 58.000 -0.024 0.000 1.151 2450 F CB 0.361 39.333 39.000 -0.048 0.000 1.132 2450 F HN 0.140 nan 8.300 nan 0.000 0.511 2451 G N 0.034 108.823 108.800 -0.019 0.000 2.199 2451 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.254 2451 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.254 2451 G C 0.091 174.945 174.900 -0.076 0.000 0.982 2451 G CA 0.237 45.312 45.100 -0.042 0.000 0.632 2451 G HN 0.478 nan 8.290 nan 0.000 0.529 2452 Q N -0.763 118.951 119.800 -0.144 0.000 2.241 2452 Q HA 0.581 4.921 4.340 -0.000 0.000 0.262 2452 Q C 1.340 177.282 176.000 -0.098 0.000 1.014 2452 Q CA 0.049 55.825 55.803 -0.045 0.000 0.885 2452 Q CB 1.142 29.959 28.738 0.131 0.000 1.311 2452 Q HN 1.333 nan 8.270 nan 0.000 0.461 2453 G N 0.493 109.311 108.800 0.031 0.000 2.284 2453 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.261 2453 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.261 2453 G C 0.150 175.018 174.900 -0.053 0.000 0.997 2453 G CA 0.667 45.756 45.100 -0.019 0.000 0.621 2453 G HN 0.560 nan 8.290 nan 0.000 0.534 2454 I N 1.448 121.962 120.570 -0.094 0.000 2.569 2454 I HA 0.647 4.817 4.170 -0.000 0.000 0.296 2454 I C -0.005 176.031 176.117 -0.135 0.000 1.028 2454 I CA -0.397 60.825 61.300 -0.131 0.000 1.082 2454 I CB 2.088 39.953 38.000 -0.225 0.000 1.264 2454 I HN 0.329 nan 8.210 nan 0.000 0.429 2455 S N 7.326 122.964 115.700 -0.103 0.000 2.454 2455 S HA 0.740 5.210 4.470 -0.000 0.000 0.306 2455 S C -0.523 174.006 174.600 -0.118 0.000 1.100 2455 S CA -0.565 57.568 58.200 -0.111 0.000 1.087 2455 S CB 1.448 64.635 63.200 -0.021 0.000 1.019 2455 S HN 0.626 nan 8.310 nan 0.000 0.480 2456 V N -0.123 119.620 119.914 -0.284 0.000 3.113 2456 V HA 0.958 5.078 4.120 -0.000 0.000 0.316 2456 V C -0.056 175.925 176.094 -0.189 0.000 1.125 2456 V CA -0.569 61.618 62.300 -0.188 0.000 1.026 2456 V CB 1.354 33.058 31.823 -0.198 0.000 1.080 2456 V HN 1.115 nan 8.190 nan 0.000 0.444 2457 T N -0.723 113.844 114.554 0.021 0.000 2.807 2457 T HA 0.392 4.742 4.350 -0.000 0.000 0.279 2457 T C 0.716 175.532 174.700 0.194 0.000 0.993 2457 T CA -0.563 61.630 62.100 0.154 0.000 0.970 2457 T CB 1.768 70.716 68.868 0.134 0.000 0.950 2457 T HN 0.750 nan 8.240 nan 0.000 0.441 2458 Q N 1.998 121.999 119.800 0.335 0.000 2.207 2458 Q HA -0.244 4.096 4.340 -0.000 0.000 0.215 2458 Q C 2.315 178.429 176.000 0.190 0.000 1.006 2458 Q CA 2.686 58.698 55.803 0.349 0.000 0.903 2458 Q CB -1.112 27.736 28.738 0.184 0.000 0.947 2458 Q HN 1.042 nan 8.270 nan 0.000 0.414 2459 T N -1.883 112.700 114.554 0.050 0.000 2.915 2459 T HA -0.134 4.216 4.350 -0.000 0.000 0.269 2459 T C 1.778 176.398 174.700 -0.134 0.000 1.071 2459 T CA 1.064 63.099 62.100 -0.108 0.000 1.132 2459 T CB -0.042 68.638 68.868 -0.315 0.000 0.878 2459 T HN 0.310 nan 8.240 nan 0.000 0.479 2460 Q N 0.401 120.132 119.800 -0.115 0.000 1.969 2460 Q HA 0.046 4.386 4.340 -0.000 0.000 0.198 2460 Q C 2.514 178.342 176.000 -0.288 0.000 0.978 2460 Q CA 1.164 56.813 55.803 -0.257 0.000 0.830 2460 Q CB -0.305 28.268 28.738 -0.275 0.000 0.896 2460 Q HN 0.349 nan 8.270 nan 0.000 0.431 2461 M N 0.618 120.094 119.600 -0.207 0.000 2.192 2461 M HA -0.219 4.261 4.480 -0.000 0.000 0.256 2461 M C 2.161 178.109 176.300 -0.586 0.000 1.076 2461 M CA 1.498 56.502 55.300 -0.495 0.000 1.075 2461 M CB -0.936 31.375 32.600 -0.481 0.000 1.368 2461 M HN 0.271 nan 8.290 nan 0.000 0.406 2462 L N -1.428 119.684 121.223 -0.184 0.000 2.068 2462 L HA -0.159 4.181 4.340 -0.000 0.000 0.204 2462 L C 2.714 179.592 176.870 0.013 0.000 1.076 2462 L CA 0.903 55.754 54.840 0.017 0.000 0.753 2462 L CB -0.597 41.519 42.059 0.095 0.000 0.910 2462 L HN 0.270 nan 8.230 nan 0.000 0.439 2463 R N 0.492 120.951 120.500 -0.068 0.000 2.080 2463 R HA -0.219 4.121 4.340 -0.000 0.000 0.236 2463 R C 2.331 178.634 176.300 0.005 0.000 1.137 2463 R CA 1.737 57.814 56.100 -0.039 0.000 0.943 2463 R CB -0.305 29.934 30.300 -0.101 0.000 0.846 2463 R HN 0.338 nan 8.270 nan 0.000 0.431 2464 A N 0.639 123.412 122.820 -0.079 0.000 1.865 2464 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 2464 A C 1.955 179.629 177.584 0.151 0.000 1.191 2464 A CA 1.432 53.500 52.037 0.050 0.000 0.623 2464 A CB -0.886 18.018 19.000 -0.161 0.000 0.826 2464 A HN 0.414 nan 8.150 nan 0.000 0.444 2465 F N 1.457 121.387 119.950 -0.033 0.000 2.346 2465 F HA -0.181 4.346 4.527 -0.000 0.000 0.301 2465 F C 2.806 178.615 175.800 0.014 0.000 1.070 2465 F CA 1.368 59.344 58.000 -0.040 0.000 1.407 2465 F CB -1.307 37.632 39.000 -0.102 0.000 1.072 2465 F HN 0.491 nan 8.300 nan 0.000 0.543 2466 T N -2.823 111.860 114.554 0.215 0.000 2.809 2466 T HA 0.031 4.381 4.350 -0.000 0.000 0.260 2466 T C 2.293 177.069 174.700 0.127 0.000 1.039 2466 T CA 0.849 63.035 62.100 0.142 0.000 1.141 2466 T CB -0.831 68.101 68.868 0.108 0.000 0.869 2466 T HN 0.107 nan 8.240 nan 0.000 0.437 2467 A N 2.125 125.038 122.820 0.155 0.000 1.917 2467 A HA -0.015 4.305 4.320 -0.000 0.000 0.219 2467 A C 2.415 180.085 177.584 0.144 0.000 1.182 2467 A CA 1.694 53.812 52.037 0.135 0.000 0.633 2467 A CB -0.878 18.236 19.000 0.191 0.000 0.819 2467 A HN 0.513 nan 8.150 nan 0.000 0.448 2468 I N -0.356 120.331 120.570 0.196 0.000 2.226 2468 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 2468 I C 2.601 178.766 176.117 0.081 0.000 1.100 2468 I CA 1.547 62.936 61.300 0.148 0.000 1.374 2468 I CB -1.519 36.570 38.000 0.148 0.000 1.057 2468 I HN 0.353 nan 8.210 nan 0.000 0.413 2469 A N 0.103 122.966 122.820 0.071 0.000 2.278 2469 A HA -0.003 4.317 4.320 -0.000 0.000 0.212 2469 A C 1.050 178.652 177.584 0.030 0.000 1.213 2469 A CA 0.464 52.522 52.037 0.035 0.000 0.840 2469 A CB -0.815 18.198 19.000 0.023 0.000 0.866 2469 A HN 0.463 nan 8.150 nan 0.000 0.489 2470 N N -0.028 118.696 118.700 0.039 0.000 2.628 2470 N HA 0.173 4.913 4.740 -0.000 0.000 0.299 2470 N C -0.624 174.895 175.510 0.015 0.000 1.834 2470 N CA 0.053 53.118 53.050 0.026 0.000 0.871 2470 N CB 0.170 38.678 38.487 0.035 0.000 1.377 2470 N HN 0.088 nan 8.380 nan 0.000 0.493 2471 D N -0.127 120.282 120.400 0.015 0.000 3.028 2471 D HA -0.194 4.446 4.640 -0.000 0.000 0.211 2471 D C 0.869 177.159 176.300 -0.016 0.000 1.136 2471 D CA 2.154 56.157 54.000 0.005 0.000 0.987 2471 D CB -1.214 39.590 40.800 0.006 0.000 1.128 2471 D HN 0.739 nan 8.370 nan 0.000 0.406 2472 G N -2.066 106.724 108.800 -0.017 0.000 2.175 2472 G HA2 -0.146 3.813 3.960 -0.000 0.000 0.182 2472 G HA3 -0.146 3.813 3.960 -0.000 0.000 0.182 2472 G C 0.061 174.865 174.900 -0.160 0.000 1.003 2472 G CA 0.024 45.089 45.100 -0.059 0.000 0.666 2472 G HN 0.585 nan 8.290 nan 0.000 0.506 2473 V N 1.962 121.801 119.914 -0.125 0.000 2.370 2473 V HA 0.612 4.732 4.120 -0.000 0.000 0.279 2473 V C 0.807 176.875 176.094 -0.043 0.000 1.029 2473 V CA -0.485 61.714 62.300 -0.168 0.000 0.870 2473 V CB 1.656 33.434 31.823 -0.074 0.000 0.984 2473 V HN 0.339 nan 8.190 nan 0.000 0.451 2474 M N 5.479 125.052 119.600 -0.044 0.000 2.146 2474 M HA 0.448 4.928 4.480 -0.000 0.000 0.357 2474 M C -0.850 175.479 176.300 0.049 0.000 1.261 2474 M CA -0.104 55.207 55.300 0.018 0.000 1.106 2474 M CB 0.878 33.478 32.600 0.000 0.000 1.612 2474 M HN 0.491 nan 8.290 nan 0.000 0.470 2475 L N 2.559 123.820 121.223 0.063 0.000 2.325 2475 L HA 0.376 4.716 4.340 -0.000 0.000 0.278 2475 L C -0.035 176.879 176.870 0.073 0.000 1.023 2475 L CA -0.792 54.093 54.840 0.075 0.000 0.811 2475 L CB 1.812 43.918 42.059 0.079 0.000 1.249 2475 L HN 0.571 nan 8.230 nan 0.000 0.431 2476 E N 4.659 124.909 120.200 0.083 0.000 2.257 2476 E HA 0.165 4.515 4.350 -0.000 0.000 0.278 2476 E C -2.334 174.342 176.600 0.127 0.000 1.049 2476 E CA -1.552 54.904 56.400 0.093 0.000 0.876 2476 E CB 0.838 30.602 29.700 0.107 0.000 1.035 2476 E HN 0.141 nan 8.360 nan 0.000 0.419 2477 P HA -0.083 nan 4.420 nan 0.000 0.255 2477 P C -1.047 176.493 177.300 0.399 0.000 1.173 2477 P CA 0.653 63.860 63.100 0.178 0.000 0.780 2477 P CB 0.306 31.990 31.700 -0.026 0.000 0.758 2478 K N 2.763 123.353 120.400 0.317 0.000 2.118 2478 K HA 0.461 4.781 4.320 -0.000 0.000 0.254 2478 K C 0.426 177.249 176.600 0.370 0.000 0.961 2478 K CA -0.412 56.027 56.287 0.253 0.000 0.876 2478 K CB 1.050 33.623 32.500 0.122 0.000 1.077 2478 K HN 0.384 nan 8.250 nan 0.000 0.440 2479 F N -0.799 119.288 119.950 0.229 0.000 2.839 2479 F HA 0.373 4.900 4.527 -0.000 0.000 0.355 2479 F C 0.087 175.981 175.800 0.156 0.000 0.904 2479 F CA -0.468 57.684 58.000 0.253 0.000 1.098 2479 F CB 0.159 39.415 39.000 0.428 0.000 0.982 2479 F HN 0.142 nan 8.300 nan 0.000 0.600 2480 I N 2.472 122.775 120.570 -0.445 0.000 2.293 2480 I HA 0.131 4.301 4.170 -0.000 0.000 0.299 2480 I C 1.441 177.533 176.117 -0.040 0.000 1.153 2480 I CA -0.083 61.094 61.300 -0.206 0.000 1.302 2480 I CB 0.992 38.767 38.000 -0.375 0.000 1.460 2480 I HN 0.349 nan 8.210 nan 0.000 0.552 2481 S N 4.727 120.482 115.700 0.092 0.000 2.461 2481 S HA 0.224 4.694 4.470 -0.000 0.000 0.228 2481 S C 0.647 175.297 174.600 0.083 0.000 1.005 2481 S CA 0.775 59.034 58.200 0.099 0.000 0.942 2481 S CB 0.164 63.456 63.200 0.153 0.000 0.776 2481 S HN 0.797 nan 8.310 nan 0.000 0.514 2482 A N -0.415 122.482 122.820 0.128 0.000 2.483 2482 A HA 0.676 4.996 4.320 -0.000 0.000 0.294 2482 A C -1.889 175.810 177.584 0.191 0.000 1.077 2482 A CA -0.706 51.403 52.037 0.120 0.000 0.633 2482 A CB 0.496 19.532 19.000 0.059 0.000 1.318 2482 A HN 0.300 nan 8.150 nan 0.000 0.455 2483 I N 0.798 121.475 120.570 0.178 0.000 2.590 2483 I HA 0.291 4.461 4.170 -0.000 0.000 0.283 2483 I C -1.580 174.677 176.117 0.233 0.000 1.154 2483 I CA -0.188 61.230 61.300 0.197 0.000 1.067 2483 I CB 1.694 39.737 38.000 0.072 0.000 1.243 2483 I HN 0.739 nan 8.210 nan 0.000 0.451 2484 Y N 6.151 126.580 120.300 0.215 0.000 2.376 2484 Y HA 0.497 5.047 4.550 -0.000 0.000 0.325 2484 Y C -0.522 175.458 175.900 0.133 0.000 1.199 2484 Y CA -0.335 57.870 58.100 0.174 0.000 1.206 2484 Y CB 1.275 39.900 38.460 0.276 0.000 1.229 2484 Y HN 0.398 nan 8.280 nan 0.000 0.480 2485 D N 3.074 122.875 120.400 -0.997 0.000 2.421 2485 D HA 0.165 4.805 4.640 -0.000 0.000 0.254 2485 D C 0.124 175.916 176.300 -0.846 0.000 1.238 2485 D CA -0.128 53.492 54.000 -0.633 0.000 0.919 2485 D CB 1.602 42.211 40.800 -0.318 0.000 1.152 2485 D HN 0.789 nan 8.370 nan 0.000 0.552 2486 T N 2.403 116.701 114.554 -0.426 0.000 2.737 2486 T HA -0.159 4.191 4.350 -0.000 0.000 0.269 2486 T C 1.623 176.286 174.700 -0.061 0.000 1.040 2486 T CA 0.929 62.994 62.100 -0.058 0.000 1.142 2486 T CB 0.043 68.989 68.868 0.130 0.000 0.861 2486 T HN 0.425 nan 8.240 nan 0.000 0.456 2487 N N 2.981 121.629 118.700 -0.087 0.000 2.002 2487 N HA -0.122 4.618 4.740 -0.000 0.000 0.199 2487 N C 1.271 176.756 175.510 -0.042 0.000 1.060 2487 N CA 1.566 54.588 53.050 -0.047 0.000 0.867 2487 N CB -0.564 37.895 38.487 -0.047 0.000 1.069 2487 N HN 0.621 nan 8.380 nan 0.000 0.430 2488 N N 0.708 119.364 118.700 -0.073 0.000 2.328 2488 N HA 0.023 4.763 4.740 -0.000 0.000 0.247 2488 N C -0.880 174.600 175.510 -0.050 0.000 1.165 2488 N CA -0.078 52.946 53.050 -0.044 0.000 0.873 2488 N CB 0.196 38.662 38.487 -0.034 0.000 1.125 2488 N HN 0.033 nan 8.380 nan 0.000 0.513 2489 Q N -0.081 119.668 119.800 -0.084 0.000 2.417 2489 Q HA -0.207 4.133 4.340 -0.000 0.000 0.350 2489 Q C -0.510 175.489 176.000 -0.001 0.000 1.364 2489 Q CA 0.860 56.656 55.803 -0.012 0.000 1.024 2489 Q CB -2.420 26.415 28.738 0.162 0.000 1.235 2489 Q HN 0.692 nan 8.270 nan 0.000 0.388 2490 S N -2.214 113.389 115.700 -0.162 0.000 2.766 2490 S HA 0.927 5.397 4.470 -0.000 0.000 0.307 2490 S C 0.223 174.807 174.600 -0.027 0.000 1.121 2490 S CA -0.578 57.590 58.200 -0.053 0.000 0.980 2490 S CB 2.256 65.422 63.200 -0.056 0.000 1.159 2490 S HN 0.214 nan 8.310 nan 0.000 0.546 2491 V N -0.480 119.455 119.914 0.035 0.000 3.112 2491 V HA 0.691 4.811 4.120 -0.000 0.000 0.310 2491 V C -1.154 174.964 176.094 0.040 0.000 1.364 2491 V CA -1.058 61.289 62.300 0.078 0.000 1.058 2491 V CB 2.175 34.067 31.823 0.116 0.000 1.079 2491 V HN 0.917 nan 8.190 nan 0.000 0.463 2492 R N 0.794 121.318 120.500 0.040 0.000 2.792 2492 R HA 0.420 4.760 4.340 -0.000 0.000 0.285 2492 R C -1.532 174.773 176.300 0.009 0.000 1.207 2492 R CA -0.642 55.465 56.100 0.012 0.000 1.091 2492 R CB 2.005 32.300 30.300 -0.008 0.000 1.263 2492 R HN 0.688 nan 8.270 nan 0.000 0.403 2493 K N 0.706 121.104 120.400 -0.003 0.000 2.238 2493 K HA 0.482 4.802 4.320 -0.000 0.000 0.239 2493 K C -0.208 176.385 176.600 -0.012 0.000 0.987 2493 K CA -0.709 55.574 56.287 -0.007 0.000 0.857 2493 K CB 2.127 34.619 32.500 -0.014 0.000 1.154 2493 K HN 0.300 nan 8.250 nan 0.000 0.439 2494 S N 0.925 116.622 115.700 -0.006 0.000 2.672 2494 S HA 0.291 4.761 4.470 -0.000 0.000 0.276 2494 S C -1.080 173.523 174.600 0.005 0.000 1.207 2494 S CA -0.552 57.643 58.200 -0.007 0.000 1.002 2494 S CB 0.661 63.857 63.200 -0.006 0.000 0.998 2494 S HN 0.416 nan 8.310 nan 0.000 0.542 2495 Q N 2.179 121.984 119.800 0.009 0.000 2.281 2495 Q HA 0.209 4.549 4.340 -0.000 0.000 0.263 2495 Q C -1.160 174.858 176.000 0.029 0.000 0.989 2495 Q CA -0.725 55.089 55.803 0.018 0.000 0.852 2495 Q CB 1.734 30.480 28.738 0.013 0.000 1.337 2495 Q HN 0.970 nan 8.270 nan 0.000 0.418 2496 K N 1.133 121.557 120.400 0.040 0.000 2.599 2496 K HA -0.155 4.165 4.320 -0.000 0.000 0.275 2496 K C -0.418 176.216 176.600 0.057 0.000 0.983 2496 K CA 0.887 57.207 56.287 0.054 0.000 1.076 2496 K CB 0.644 33.178 32.500 0.058 0.000 0.822 2496 K HN 0.621 nan 8.250 nan 0.000 0.485 2497 E N 4.963 125.203 120.200 0.067 0.000 2.173 2497 E HA 0.173 4.523 4.350 -0.000 0.000 0.249 2497 E C -0.453 176.204 176.600 0.096 0.000 0.923 2497 E CA -0.618 55.826 56.400 0.074 0.000 0.754 2497 E CB 0.495 30.235 29.700 0.067 0.000 1.177 2497 E HN 0.546 nan 8.360 nan 0.000 0.430 2498 I N 4.286 124.925 120.570 0.115 0.000 2.668 2498 I HA -0.089 4.081 4.170 -0.000 0.000 0.285 2498 I C 1.195 177.408 176.117 0.161 0.000 1.168 2498 I CA 0.254 61.647 61.300 0.154 0.000 1.424 2498 I CB 0.794 38.929 38.000 0.224 0.000 1.377 2498 I HN 0.456 nan 8.210 nan 0.000 0.560 2499 V N 3.134 123.125 119.914 0.129 0.000 3.253 2499 V HA 0.716 4.836 4.120 -0.000 0.000 0.320 2499 V C 0.324 176.462 176.094 0.072 0.000 1.442 2499 V CA 0.408 62.775 62.300 0.112 0.000 1.097 2499 V CB -0.107 31.761 31.823 0.075 0.000 1.008 2499 V HN 0.992 nan 8.190 nan 0.000 0.463 2500 G N 0.770 109.617 108.800 0.077 0.000 2.345 2500 G HA2 0.144 4.104 3.960 -0.000 0.000 0.310 2500 G HA3 0.144 4.104 3.960 -0.000 0.000 0.310 2500 G C -1.488 173.300 174.900 -0.186 0.000 1.476 2500 G CA -0.310 44.775 45.100 -0.024 0.000 0.978 2500 G HN 0.424 nan 8.290 nan 0.000 0.656 2501 N N 1.485 120.009 118.700 -0.292 0.000 2.841 2501 N HA 0.423 5.163 4.740 -0.000 0.000 0.257 2501 N C -1.050 174.260 175.510 -0.333 0.000 1.396 2501 N CA -1.891 50.870 53.050 -0.482 0.000 0.823 2501 N CB 1.695 39.733 38.487 -0.747 0.000 1.162 2501 N HN 0.264 nan 8.380 nan 0.000 0.503 2502 P HA -0.075 nan 4.420 nan 0.000 0.216 2502 P C 0.270 177.402 177.300 -0.280 0.000 1.153 2502 P CA 1.042 63.837 63.100 -0.508 0.000 0.844 2502 P CB 0.257 31.265 31.700 -1.153 0.000 0.787 2503 V N -3.156 116.661 119.914 -0.162 0.000 2.760 2503 V HA 0.570 4.690 4.120 -0.000 0.000 0.309 2503 V C 0.061 176.144 176.094 -0.019 0.000 1.077 2503 V CA -1.276 61.025 62.300 -0.000 0.000 0.910 2503 V CB 1.282 33.177 31.823 0.119 0.000 1.008 2503 V HN 0.199 nan 8.190 nan 0.000 0.424 2504 S N 2.938 118.642 115.700 0.007 0.000 2.554 2504 S HA 0.024 4.494 4.470 -0.000 0.000 0.290 2504 S C 1.068 175.668 174.600 0.000 0.000 1.309 2504 S CA 0.757 58.956 58.200 -0.001 0.000 1.047 2504 S CB 0.534 63.747 63.200 0.021 0.000 0.828 2504 S HN 1.202 nan 8.310 nan 0.000 0.509 2505 K N 2.015 122.412 120.400 -0.005 0.000 1.980 2505 K HA -0.248 4.072 4.320 -0.000 0.000 0.223 2505 K C 2.435 179.041 176.600 0.009 0.000 1.052 2505 K CA 2.232 58.520 56.287 0.002 0.000 0.974 2505 K CB -1.412 31.092 32.500 0.008 0.000 0.734 2505 K HN 0.930 nan 8.250 nan 0.000 0.447 2506 E N 0.184 120.389 120.200 0.009 0.000 2.352 2506 E HA -0.224 4.126 4.350 -0.000 0.000 0.203 2506 E C 1.609 178.211 176.600 0.003 0.000 1.024 2506 E CA 1.808 58.212 56.400 0.006 0.000 0.842 2506 E CB -0.795 28.908 29.700 0.005 0.000 0.753 2506 E HN 0.645 nan 8.360 nan 0.000 0.508 2507 A N 0.599 123.426 122.820 0.012 0.000 1.838 2507 A HA 0.397 4.717 4.320 -0.000 0.000 0.215 2507 A C 2.867 180.463 177.584 0.019 0.000 1.273 2507 A CA 2.234 54.280 52.037 0.014 0.000 0.602 2507 A CB -1.186 17.837 19.000 0.039 0.000 0.934 2507 A HN 1.205 nan 8.150 nan 0.000 0.461 2508 A N 0.368 123.214 122.820 0.042 0.000 1.882 2508 A HA -0.299 4.021 4.320 -0.000 0.000 0.220 2508 A C 2.458 180.058 177.584 0.027 0.000 1.253 2508 A CA 3.859 55.927 52.037 0.050 0.000 0.664 2508 A CB -1.680 17.355 19.000 0.058 0.000 0.838 2508 A HN 1.257 nan 8.150 nan 0.000 0.460 2509 S N -0.401 115.310 115.700 0.018 0.000 2.425 2509 S HA -0.381 4.089 4.470 -0.000 0.000 0.256 2509 S C 2.027 176.631 174.600 0.007 0.000 1.101 2509 S CA 3.127 61.333 58.200 0.010 0.000 1.188 2509 S CB -2.001 61.202 63.200 0.005 0.000 1.085 2509 S HN 1.277 nan 8.310 nan 0.000 0.439 2510 T N 0.129 114.681 114.554 -0.003 0.000 2.857 2510 T HA -0.082 4.268 4.350 -0.000 0.000 0.266 2510 T C 1.842 176.547 174.700 0.008 0.000 1.048 2510 T CA 1.758 63.851 62.100 -0.011 0.000 1.139 2510 T CB -1.419 67.421 68.868 -0.047 0.000 0.874 2510 T HN 0.550 nan 8.240 nan 0.000 0.455 2511 T N 1.784 116.340 114.554 0.004 0.000 2.759 2511 T HA -0.061 4.289 4.350 -0.000 0.000 0.269 2511 T C 2.157 176.892 174.700 0.059 0.000 1.042 2511 T CA 1.254 63.366 62.100 0.020 0.000 1.140 2511 T CB -0.274 68.607 68.868 0.022 0.000 0.864 2511 T HN 0.459 nan 8.240 nan 0.000 0.455 2512 R N 1.170 121.694 120.500 0.039 0.000 2.066 2512 R HA -0.001 4.339 4.340 -0.000 0.000 0.232 2512 R C 2.495 178.813 176.300 0.031 0.000 1.131 2512 R CA 1.415 57.533 56.100 0.029 0.000 0.955 2512 R CB -0.451 29.856 30.300 0.012 0.000 0.851 2512 R HN 0.354 nan 8.270 nan 0.000 0.432 2513 N N 0.363 119.080 118.700 0.028 0.000 2.091 2513 N HA -0.230 4.510 4.740 -0.000 0.000 0.193 2513 N C 1.692 177.215 175.510 0.020 0.000 1.021 2513 N CA 1.311 54.370 53.050 0.016 0.000 0.862 2513 N CB -0.490 38.004 38.487 0.012 0.000 1.018 2513 N HN 0.325 nan 8.380 nan 0.000 0.429 2514 H N 0.026 119.080 119.070 -0.028 0.000 2.518 2514 H HA 0.022 4.578 4.556 -0.000 0.000 0.289 2514 H C 1.187 176.506 175.328 -0.015 0.000 1.051 2514 H CA 0.995 57.029 56.048 -0.024 0.000 1.280 2514 H CB 0.043 29.788 29.762 -0.030 0.000 1.380 2514 H HN 0.300 nan 8.280 nan 0.000 0.566 2515 M N -0.248 119.347 119.600 -0.007 0.000 2.556 2515 M HA 0.065 4.545 4.480 -0.000 0.000 0.245 2515 M C 1.964 178.219 176.300 -0.075 0.000 1.128 2515 M CA 0.317 55.597 55.300 -0.033 0.000 1.069 2515 M CB 0.413 33.028 32.600 0.025 0.000 1.469 2515 M HN 0.153 nan 8.290 nan 0.000 0.494 2516 I N -0.289 120.232 120.570 -0.082 0.000 2.716 2516 I HA -0.159 4.011 4.170 -0.000 0.000 0.259 2516 I C 1.935 177.998 176.117 -0.090 0.000 1.172 2516 I CA 0.878 62.140 61.300 -0.064 0.000 1.478 2516 I CB -0.043 37.931 38.000 -0.044 0.000 1.104 2516 I HN 0.276 nan 8.210 nan 0.000 0.439 2517 L N -0.002 121.129 121.223 -0.152 0.000 2.179 2517 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 2517 L C 2.060 178.832 176.870 -0.164 0.000 1.096 2517 L CA 0.506 55.248 54.840 -0.162 0.000 0.779 2517 L CB -0.151 41.781 42.059 -0.211 0.000 0.922 2517 L HN 0.023 nan 8.230 nan 0.000 0.443 2518 V N -0.009 119.782 119.914 -0.206 0.000 3.546 2518 V HA -0.061 4.059 4.120 -0.000 0.000 0.272 2518 V C 1.679 177.737 176.094 -0.060 0.000 1.228 2518 V CA 1.511 63.738 62.300 -0.122 0.000 1.184 2518 V CB -0.801 30.975 31.823 -0.078 0.000 0.886 2518 V HN 0.591 nan 8.190 nan 0.000 0.508 2519 G N -1.639 107.123 108.800 -0.063 0.000 2.453 2519 G HA2 0.004 3.964 3.960 -0.000 0.000 0.184 2519 G HA3 0.004 3.964 3.960 -0.000 0.000 0.184 2519 G C 1.226 176.105 174.900 -0.035 0.000 1.342 2519 G CA 0.768 45.847 45.100 -0.036 0.000 0.771 2519 G HN 0.348 nan 8.290 nan 0.000 0.956 2520 T N 0.574 115.098 114.554 -0.050 0.000 2.866 2520 T HA 0.089 4.439 4.350 -0.000 0.000 0.250 2520 T C 0.613 175.291 174.700 -0.037 0.000 1.033 2520 T CA 0.512 62.588 62.100 -0.040 0.000 1.145 2520 T CB -0.086 68.755 68.868 -0.045 0.000 0.866 2520 T HN 0.196 nan 8.240 nan 0.000 0.434 2521 D N 2.801 123.171 120.400 -0.049 0.000 2.389 2521 D HA 0.063 4.703 4.640 -0.000 0.000 0.263 2521 D C -1.391 174.892 176.300 -0.028 0.000 1.255 2521 D CA -1.381 52.596 54.000 -0.038 0.000 0.914 2521 D CB 1.038 41.809 40.800 -0.048 0.000 1.116 2521 D HN 0.173 nan 8.370 nan 0.000 0.502 2522 P HA 0.052 nan 4.420 nan 0.000 0.249 2522 P C 0.419 177.713 177.300 -0.009 0.000 1.241 2522 P CA 0.110 63.202 63.100 -0.012 0.000 0.781 2522 P CB -0.206 31.488 31.700 -0.009 0.000 1.088 2537 I N 2.636 123.205 120.570 -0.002 0.000 2.618 2537 I HA 0.472 4.642 4.170 -0.000 0.000 0.284 2537 I C 0.381 176.495 176.117 -0.005 0.000 1.146 2537 I CA 0.735 62.031 61.300 -0.006 0.000 1.425 2537 I CB 0.922 38.923 38.000 0.002 0.000 1.383 2537 I HN 0.745 nan 8.210 nan 0.000 0.562 2538 T N 5.693 120.242 114.554 -0.008 0.000 3.566 2538 T HA 0.304 4.654 4.350 -0.000 0.000 0.330 2538 T C -0.621 174.078 174.700 -0.001 0.000 0.877 2538 T CA -0.455 61.643 62.100 -0.004 0.000 1.030 2538 T CB 0.338 69.203 68.868 -0.005 0.000 1.033 2538 T HN 0.236 nan 8.240 nan 0.000 0.463 2539 V N 6.542 126.461 119.914 0.008 0.000 2.924 2539 V HA 0.399 4.519 4.120 -0.000 0.000 0.305 2539 V C -1.904 174.197 176.094 0.012 0.000 1.073 2539 V CA -1.367 60.942 62.300 0.015 0.000 1.098 2539 V CB 1.060 32.907 31.823 0.040 0.000 1.000 2539 V HN 0.717 nan 8.190 nan 0.000 0.484 2540 P HA 0.433 nan 4.420 nan 0.000 0.292 2540 P C 0.484 177.792 177.300 0.012 0.000 1.326 2540 P CA 0.472 63.577 63.100 0.008 0.000 0.787 2540 P CB 0.980 32.682 31.700 0.003 0.000 0.903 2541 G N 2.338 111.143 108.800 0.009 0.000 2.157 2541 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.239 2541 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.239 2541 G C -0.172 174.735 174.900 0.010 0.000 0.982 2541 G CA -0.361 44.745 45.100 0.009 0.000 0.650 2541 G HN 0.559 nan 8.290 nan 0.000 0.527 2542 Q N -0.722 119.086 119.800 0.012 0.000 2.511 2542 Q HA 0.519 4.859 4.340 -0.000 0.000 0.289 2542 Q C -1.173 174.832 176.000 0.008 0.000 1.021 2542 Q CA -1.171 54.639 55.803 0.012 0.000 0.785 2542 Q CB 1.011 29.761 28.738 0.021 0.000 1.472 2542 Q HN 0.081 nan 8.270 nan 0.000 0.411 2543 N N 0.511 119.213 118.700 0.004 0.000 2.455 2543 N HA 0.339 5.079 4.740 -0.000 0.000 0.280 2543 N C -1.227 174.284 175.510 0.001 0.000 1.055 2543 N CA -0.103 52.947 53.050 -0.001 0.000 0.961 2543 N CB 1.711 40.194 38.487 -0.007 0.000 1.121 2543 N HN 0.248 nan 8.380 nan 0.000 0.476 2544 V N 1.821 121.735 119.914 -0.001 0.000 2.347 2544 V HA 0.441 4.561 4.120 -0.000 0.000 0.280 2544 V C 0.409 176.497 176.094 -0.009 0.000 1.021 2544 V CA -1.072 61.229 62.300 0.002 0.000 0.847 2544 V CB 0.956 32.784 31.823 0.007 0.000 0.990 2544 V HN 0.701 nan 8.190 nan 0.000 0.444 2545 A N 5.401 128.214 122.820 -0.012 0.000 2.363 2545 A HA 0.802 5.122 4.320 -0.000 0.000 0.270 2545 A C -0.154 177.414 177.584 -0.026 0.000 1.121 2545 A CA -0.188 51.837 52.037 -0.020 0.000 0.800 2545 A CB 0.827 19.816 19.000 -0.018 0.000 1.052 2545 A HN 1.658 nan 8.150 nan 0.000 0.493 2546 V N -0.558 119.343 119.914 -0.022 0.000 3.120 2546 V HA 0.913 5.033 4.120 -0.000 0.000 0.303 2546 V C -1.184 174.911 176.094 0.002 0.000 1.238 2546 V CA -1.029 61.260 62.300 -0.018 0.000 1.008 2546 V CB 2.019 33.842 31.823 0.001 0.000 1.064 2546 V HN 0.899 nan 8.190 nan 0.000 0.434 2547 K N 2.217 122.623 120.400 0.009 0.000 2.541 2547 K HA 0.823 5.143 4.320 -0.000 0.000 0.250 2547 K C -0.880 175.772 176.600 0.087 0.000 0.950 2547 K CA 0.333 56.650 56.287 0.049 0.000 0.805 2547 K CB 2.005 34.536 32.500 0.051 0.000 1.166 2547 K HN 1.504 nan 8.250 nan 0.000 0.430 2548 S N 1.500 117.258 115.700 0.096 0.000 2.571 2548 S HA 0.950 5.420 4.470 -0.000 0.000 0.284 2548 S C -0.151 174.513 174.600 0.107 0.000 1.128 2548 S CA -0.332 57.947 58.200 0.131 0.000 0.970 2548 S CB 1.766 65.055 63.200 0.147 0.000 1.039 2548 S HN 0.788 nan 8.310 nan 0.000 0.485 2549 G N 0.682 109.540 108.800 0.097 0.000 2.664 2549 G HA2 0.654 4.614 3.960 -0.000 0.000 0.303 2549 G HA3 0.654 4.614 3.960 -0.000 0.000 0.303 2549 G C -1.559 173.261 174.900 -0.133 0.000 1.243 2549 G CA -0.634 44.467 45.100 0.001 0.000 0.826 2549 G HN 0.771 nan 8.290 nan 0.000 0.498 2550 T N 0.598 114.971 114.554 -0.302 0.000 2.840 2550 T HA 0.694 5.044 4.350 -0.000 0.000 0.287 2550 T C 0.058 174.499 174.700 -0.431 0.000 0.991 2550 T CA 0.251 61.992 62.100 -0.599 0.000 0.964 2550 T CB 1.261 69.493 68.868 -1.060 0.000 0.954 2550 T HN 1.033 nan 8.240 nan 0.000 0.438 2551 A N 3.370 125.994 122.820 -0.326 0.000 2.293 2551 A HA 0.651 4.971 4.320 -0.000 0.000 0.302 2551 A C -0.136 177.321 177.584 -0.211 0.000 1.119 2551 A CA -0.637 51.292 52.037 -0.181 0.000 0.823 2551 A CB 0.714 19.689 19.000 -0.043 0.000 1.097 2551 A HN 0.762 nan 8.150 nan 0.000 0.491 2552 Q N 1.078 120.722 119.800 -0.260 0.000 2.325 2552 Q HA 0.453 4.793 4.340 -0.000 0.000 0.262 2552 Q C -0.976 174.759 176.000 -0.443 0.000 0.968 2552 Q CA -0.258 55.329 55.803 -0.359 0.000 0.877 2552 Q CB 1.479 29.815 28.738 -0.670 0.000 1.253 2552 Q HN 0.701 nan 8.270 nan 0.000 0.448 2553 I N 1.531 122.005 120.570 -0.160 0.000 2.720 2553 I HA 0.273 4.443 4.170 -0.000 0.000 0.287 2553 I C 0.321 176.509 176.117 0.119 0.000 1.090 2553 I CA -0.231 61.058 61.300 -0.019 0.000 1.384 2553 I CB 0.992 39.007 38.000 0.025 0.000 1.420 2553 I HN 0.516 nan 8.210 nan 0.000 0.575 2554 A N 3.364 126.323 122.820 0.231 0.000 2.306 2554 A HA 0.225 4.545 4.320 -0.000 0.000 0.314 2554 A C -0.187 177.496 177.584 0.166 0.000 1.164 2554 A CA -0.514 51.718 52.037 0.325 0.000 0.822 2554 A CB 0.449 19.617 19.000 0.282 0.000 1.130 2554 A HN 0.763 nan 8.150 nan 0.000 0.496 2555 D N 2.077 122.558 120.400 0.136 0.000 2.508 2555 D HA -0.023 4.617 4.640 -0.000 0.000 0.224 2555 D C 0.992 177.320 176.300 0.047 0.000 1.171 2555 D CA 0.054 54.096 54.000 0.070 0.000 1.006 2555 D CB 0.406 41.238 40.800 0.053 0.000 1.073 2555 D HN 0.714 nan 8.370 nan 0.000 0.513 2556 E N 2.737 122.966 120.200 0.049 0.000 2.273 2556 E HA -0.272 4.078 4.350 -0.000 0.000 0.198 2556 E C 1.432 178.045 176.600 0.022 0.000 1.002 2556 E CA 1.388 57.810 56.400 0.037 0.000 0.828 2556 E CB 0.343 30.067 29.700 0.040 0.000 0.747 2556 E HN 0.523 nan 8.360 nan 0.000 0.491 2557 K N 1.455 121.867 120.400 0.019 0.000 2.102 2557 K HA -0.013 4.307 4.320 -0.000 0.000 0.208 2557 K C 1.255 177.859 176.600 0.006 0.000 1.027 2557 K CA 1.105 57.399 56.287 0.011 0.000 0.958 2557 K CB -0.825 31.680 32.500 0.009 0.000 0.819 2557 K HN 0.358 nan 8.250 nan 0.000 0.453 2558 N N 0.854 119.558 118.700 0.006 0.000 3.025 2558 N HA 0.291 5.031 4.740 -0.000 0.000 0.315 2558 N C 0.732 176.240 175.510 -0.004 0.000 1.511 2558 N CA 0.367 53.417 53.050 0.000 0.000 1.097 2558 N CB -0.108 38.380 38.487 0.000 0.000 1.395 2558 N HN 0.642 nan 8.380 nan 0.000 0.511 2559 G N 0.616 109.411 108.800 -0.009 0.000 2.595 2559 G HA2 0.029 3.989 3.960 -0.000 0.000 0.382 2559 G HA3 0.029 3.989 3.960 -0.000 0.000 0.382 2559 G C 0.552 175.429 174.900 -0.038 0.000 1.327 2559 G CA 0.617 45.700 45.100 -0.028 0.000 0.916 2559 G HN 1.176 nan 8.290 nan 0.000 0.547 2560 G N -2.372 106.369 108.800 -0.099 0.000 2.682 2560 G HA2 0.098 4.058 3.960 -0.000 0.000 0.256 2560 G HA3 0.098 4.058 3.960 -0.000 0.000 0.256 2560 G C -0.171 174.672 174.900 -0.095 0.000 1.333 2560 G CA 0.697 45.709 45.100 -0.148 0.000 0.904 2560 G HN 1.622 nan 8.290 nan 0.000 0.569 2561 Y N -0.511 119.805 120.300 0.028 0.000 2.419 2561 Y HA 0.631 5.181 4.550 -0.000 0.000 0.328 2561 Y C 1.411 177.321 175.900 0.017 0.000 1.162 2561 Y CA -1.205 56.915 58.100 0.034 0.000 1.174 2561 Y CB 0.884 39.378 38.460 0.057 0.000 1.228 2561 Y HN 0.588 nan 8.280 nan 0.000 0.473 2562 L N 1.725 123.069 121.223 0.203 0.000 2.473 2562 L HA 0.286 4.626 4.340 -0.000 0.000 0.265 2562 L C 0.042 176.924 176.870 0.019 0.000 1.243 2562 L CA -0.083 54.795 54.840 0.063 0.000 0.822 2562 L CB 0.204 42.266 42.059 0.006 0.000 1.101 2562 L HN 0.407 nan 8.230 nan 0.000 0.507 2563 V N -0.623 119.263 119.914 -0.046 0.000 3.130 2563 V HA 0.912 5.032 4.120 -0.000 0.000 0.310 2563 V C -0.367 175.637 176.094 -0.150 0.000 1.158 2563 V CA 0.379 62.633 62.300 -0.076 0.000 1.029 2563 V CB 1.867 33.678 31.823 -0.022 0.000 1.057 2563 V HN 1.002 nan 8.190 nan 0.000 0.436 2564 G N 2.405 111.103 108.800 -0.170 0.000 2.788 2564 G HA2 0.052 4.012 3.960 -0.000 0.000 0.686 2564 G HA3 0.052 4.012 3.960 -0.000 0.000 0.686 2564 G C -0.201 174.506 174.900 -0.322 0.000 1.147 2564 G CA 0.024 45.020 45.100 -0.174 0.000 0.755 2564 G HN 1.696 nan 8.290 nan 0.000 0.634 2565 S N 0.635 116.223 115.700 -0.187 0.000 2.563 2565 S HA 0.456 4.926 4.470 -0.000 0.000 0.269 2565 S C 2.252 176.737 174.600 -0.192 0.000 1.364 2565 S CA 2.048 60.163 58.200 -0.142 0.000 1.010 2565 S CB 0.120 63.352 63.200 0.053 0.000 0.877 2565 S HN 2.839 nan 8.310 nan 0.000 0.549 2566 T N 0.670 115.243 114.554 0.032 0.000 11.701 2566 T HA -0.362 3.988 4.350 -0.000 0.000 0.417 2566 T C 0.478 175.153 174.700 -0.042 0.000 1.459 2566 T CA 1.763 63.947 62.100 0.140 0.000 2.421 2566 T CB -2.370 66.504 68.868 0.010 0.000 2.867 2566 T HN 0.696 nan 8.240 nan 0.000 0.931 2567 N N 2.086 120.616 118.700 -0.283 0.000 3.058 2567 N HA 0.406 5.146 4.740 -0.000 0.000 0.317 2567 N C -0.315 175.007 175.510 -0.314 0.000 1.266 2567 N CA 0.303 53.198 53.050 -0.259 0.000 1.145 2567 N CB -0.575 37.757 38.487 -0.259 0.000 1.426 2567 N HN 0.742 nan 8.380 nan 0.000 0.561 2568 Y N -1.194 119.054 120.300 -0.086 0.000 2.944 2568 Y HA 0.544 5.094 4.550 -0.000 0.000 0.312 2568 Y C -0.017 175.772 175.900 -0.185 0.000 1.417 2568 Y CA -1.370 56.599 58.100 -0.218 0.000 1.105 2568 Y CB 1.381 39.549 38.460 -0.487 0.000 1.364 2568 Y HN -0.189 nan 8.280 nan 0.000 0.540 2569 I N 1.756 122.283 120.570 -0.071 0.000 2.521 2569 I HA 0.195 4.365 4.170 -0.000 0.000 0.277 2569 I C -1.527 174.484 176.117 -0.176 0.000 1.054 2569 I CA -0.258 61.001 61.300 -0.070 0.000 1.117 2569 I CB 0.622 38.607 38.000 -0.026 0.000 1.217 2569 I HN 0.269 nan 8.210 nan 0.000 0.469 2570 F N 4.327 124.163 119.950 -0.190 0.000 2.504 2570 F HA 0.247 4.774 4.527 -0.000 0.000 0.369 2570 F C 1.145 176.896 175.800 -0.082 0.000 1.082 2570 F CA 0.146 58.016 58.000 -0.216 0.000 1.216 2570 F CB 0.914 39.546 39.000 -0.613 0.000 1.108 2570 F HN 0.397 nan 8.300 nan 0.000 0.554 2571 S N 2.106 117.894 115.700 0.147 0.000 2.638 2571 S HA 0.976 5.446 4.470 -0.000 0.000 0.302 2571 S C -0.882 173.870 174.600 0.254 0.000 1.096 2571 S CA -0.749 57.569 58.200 0.196 0.000 0.953 2571 S CB 2.171 65.537 63.200 0.277 0.000 1.107 2571 S HN 1.000 nan 8.310 nan 0.000 0.503 2572 A N 0.443 123.438 122.820 0.292 0.000 2.532 2572 A HA 0.692 5.011 4.320 -0.000 0.000 0.296 2572 A C -1.343 176.422 177.584 0.301 0.000 1.058 2572 A CA -0.600 51.589 52.037 0.254 0.000 0.729 2572 A CB 1.233 20.355 19.000 0.202 0.000 1.285 2572 A HN 1.641 nan 8.150 nan 0.000 0.396 2573 V N 2.636 122.654 119.914 0.174 0.000 2.604 2573 V HA 0.924 5.044 4.120 -0.000 0.000 0.305 2573 V C -0.017 176.034 176.094 -0.071 0.000 1.043 2573 V CA 0.601 62.901 62.300 0.001 0.000 0.888 2573 V CB 2.128 33.683 31.823 -0.448 0.000 0.995 2573 V HN 1.733 nan 8.190 nan 0.000 0.429 2574 T N 4.089 118.605 114.554 -0.064 0.000 2.916 2574 T HA 0.794 5.144 4.350 -0.000 0.000 0.292 2574 T C -0.790 173.876 174.700 -0.056 0.000 1.064 2574 T CA -0.869 61.206 62.100 -0.041 0.000 1.011 2574 T CB 2.010 70.885 68.868 0.012 0.000 1.152 2574 T HN 0.670 nan 8.240 nan 0.000 0.510 2575 M N 3.318 122.903 119.600 -0.026 0.000 2.221 2575 M HA 0.366 4.846 4.480 -0.000 0.000 0.259 2575 M C -1.441 174.871 176.300 0.021 0.000 1.001 2575 M CA -0.709 54.587 55.300 -0.008 0.000 1.009 2575 M CB 1.965 34.538 32.600 -0.046 0.000 1.939 2575 M HN 0.907 nan 8.290 nan 0.000 0.477 2576 N N 3.085 121.823 118.700 0.062 0.000 2.235 2576 N HA 0.537 5.277 4.740 -0.000 0.000 0.293 2576 N C -3.080 172.457 175.510 0.046 0.000 1.083 2576 N CA -1.540 51.550 53.050 0.068 0.000 0.801 2576 N CB 2.627 41.182 38.487 0.113 0.000 1.559 2576 N HN 0.276 nan 8.380 nan 0.000 0.472 2577 P HA 0.107 nan 4.420 nan 0.000 0.220 2577 P C 0.794 178.093 177.300 -0.000 0.000 1.778 2577 P CA 0.334 63.441 63.100 0.011 0.000 0.912 2577 P CB -0.337 31.363 31.700 0.000 0.000 1.861 2578 A N 2.270 125.091 122.820 0.001 0.000 4.404 2578 A HA -0.410 3.910 4.320 -0.000 0.000 0.367 2578 A C 1.857 179.436 177.584 -0.008 0.000 1.591 2578 A CA 2.731 54.765 52.037 -0.005 0.000 0.807 2578 A CB -2.508 16.489 19.000 -0.005 0.000 1.524 2578 A HN 0.342 nan 8.150 nan 0.000 0.540 2579 E N 0.223 120.419 120.200 -0.007 0.000 2.312 2579 E HA -0.186 4.164 4.350 -0.000 0.000 0.209 2579 E C 1.015 177.609 176.600 -0.010 0.000 1.047 2579 E CA 1.699 58.094 56.400 -0.007 0.000 0.840 2579 E CB -0.293 29.404 29.700 -0.007 0.000 0.738 2579 E HN 0.771 nan 8.360 nan 0.000 0.478 2580 N N -0.939 117.751 118.700 -0.017 0.000 2.946 2580 N HA 0.126 4.866 4.740 -0.000 0.000 0.213 2580 N C -2.910 172.573 175.510 -0.045 0.000 1.440 2580 N CA -1.384 51.651 53.050 -0.025 0.000 0.745 2580 N CB 0.581 39.053 38.487 -0.024 0.000 1.471 2580 N HN -0.210 nan 8.380 nan 0.000 0.569 2581 P HA -0.074 nan 4.420 nan 0.000 0.274 2581 P C -0.490 176.730 177.300 -0.134 0.000 1.209 2581 P CA 0.557 63.619 63.100 -0.063 0.000 0.790 2581 P CB 0.693 32.374 31.700 -0.032 0.000 0.834 2582 D N -1.630 118.638 120.400 -0.219 0.000 2.278 2582 D HA 0.080 4.720 4.640 -0.000 0.000 0.228 2582 D C -0.339 175.704 176.300 -0.429 0.000 1.364 2582 D CA 0.447 54.164 54.000 -0.472 0.000 1.345 2582 D CB 0.038 40.283 40.800 -0.926 0.000 1.961 2582 D HN 0.160 nan 8.370 nan 0.000 0.396 2583 F N 2.122 122.083 119.950 0.019 0.000 2.411 2583 F HA 0.520 5.047 4.527 -0.000 0.000 0.352 2583 F C 0.351 176.158 175.800 0.011 0.000 1.123 2583 F CA -0.577 57.435 58.000 0.020 0.000 1.044 2583 F CB 1.207 40.216 39.000 0.015 0.000 1.135 2583 F HN -0.184 nan 8.300 nan 0.000 0.461 2584 I N 4.935 125.631 120.570 0.210 0.000 2.378 2584 I HA 0.375 4.545 4.170 -0.000 0.000 0.291 2584 I C -1.174 175.025 176.117 0.137 0.000 0.992 2584 I CA -0.901 60.467 61.300 0.113 0.000 1.154 2584 I CB 1.900 39.955 38.000 0.092 0.000 1.315 2584 I HN 0.339 nan 8.210 nan 0.000 0.448 2585 L N 8.084 129.369 121.223 0.104 0.000 2.356 2585 L HA 0.480 4.820 4.340 -0.000 0.000 0.277 2585 L C -1.564 175.434 176.870 0.213 0.000 0.996 2585 L CA -0.491 54.432 54.840 0.137 0.000 0.822 2585 L CB 1.394 43.504 42.059 0.085 0.000 1.256 2585 L HN 0.404 nan 8.230 nan 0.000 0.413 2586 Y N 5.509 125.875 120.300 0.110 0.000 2.338 2586 Y HA 0.683 5.233 4.550 -0.000 0.000 0.328 2586 Y C -1.329 174.657 175.900 0.142 0.000 0.965 2586 Y CA -1.220 56.978 58.100 0.163 0.000 1.208 2586 Y CB 1.335 39.962 38.460 0.278 0.000 1.132 2586 Y HN 0.342 nan 8.280 nan 0.000 0.469 2587 V N 5.407 125.387 119.914 0.110 0.000 2.581 2587 V HA 0.693 4.813 4.120 -0.000 0.000 0.303 2587 V C -0.168 175.842 176.094 -0.140 0.000 1.041 2587 V CA -0.428 61.845 62.300 -0.044 0.000 0.907 2587 V CB 1.993 33.840 31.823 0.040 0.000 0.994 2587 V HN 0.829 nan 8.190 nan 0.000 0.442 2588 T N 1.127 115.567 114.554 -0.190 0.000 2.912 2588 T HA 0.789 5.139 4.350 -0.000 0.000 0.299 2588 T C -1.305 173.349 174.700 -0.076 0.000 1.052 2588 T CA -0.650 61.351 62.100 -0.165 0.000 0.996 2588 T CB 1.845 70.505 68.868 -0.347 0.000 1.070 2588 T HN 0.392 nan 8.240 nan 0.000 0.465 2589 V N 3.270 123.164 119.914 -0.032 0.000 2.555 2589 V HA 0.403 4.523 4.120 -0.000 0.000 0.283 2589 V C -0.346 175.723 176.094 -0.041 0.000 1.020 2589 V CA -0.745 61.527 62.300 -0.046 0.000 0.883 2589 V CB 1.421 33.217 31.823 -0.045 0.000 1.030 2589 V HN 1.051 nan 8.190 nan 0.000 0.448 2590 Q N 3.458 123.237 119.800 -0.034 0.000 2.267 2590 Q HA 0.392 4.732 4.340 -0.000 0.000 0.255 2590 Q C -0.048 175.941 176.000 -0.019 0.000 0.923 2590 Q CA -0.341 55.459 55.803 -0.005 0.000 0.925 2590 Q CB 0.771 29.526 28.738 0.030 0.000 1.195 2590 Q HN 0.737 nan 8.270 nan 0.000 0.417 2591 Q N 2.012 121.813 119.800 0.003 0.000 2.426 2591 Q HA -0.206 4.134 4.340 -0.000 0.000 0.359 2591 Q C -2.252 173.705 176.000 -0.072 0.000 1.381 2591 Q CA 0.213 55.998 55.803 -0.030 0.000 1.060 2591 Q CB -1.145 27.560 28.738 -0.057 0.000 1.253 2591 Q HN 0.507 nan 8.270 nan 0.000 0.363 2592 P HA 0.066 nan 4.420 nan 0.000 0.284 2592 P C 0.056 177.268 177.300 -0.148 0.000 1.292 2592 P CA -0.290 62.738 63.100 -0.121 0.000 0.800 2592 P CB 0.835 32.454 31.700 -0.136 0.000 1.188 2593 E N -0.841 119.226 120.200 -0.221 0.000 2.057 2593 E HA -0.008 4.342 4.350 -0.000 0.000 0.190 2593 E C 0.330 176.564 176.600 -0.609 0.000 0.969 2593 E CA 0.857 56.989 56.400 -0.447 0.000 0.812 2593 E CB -0.071 29.283 29.700 -0.577 0.000 0.777 2593 E HN 0.562 nan 8.360 nan 0.000 0.455 2594 H N -1.413 117.634 119.070 -0.038 0.000 2.747 2594 H HA 0.376 4.932 4.556 -0.000 0.000 0.371 2594 H C -1.507 173.810 175.328 -0.018 0.000 1.161 2594 H CA -0.656 55.373 56.048 -0.031 0.000 1.167 2594 H CB 1.798 31.528 29.762 -0.054 0.000 1.732 2594 H HN 0.037 nan 8.280 nan 0.000 0.544 2595 Y N 1.060 121.295 120.300 -0.109 0.000 2.283 2595 Y HA 0.161 4.711 4.550 -0.000 0.000 0.329 2595 Y C -0.754 175.014 175.900 -0.220 0.000 1.181 2595 Y CA -0.299 57.633 58.100 -0.282 0.000 1.283 2595 Y CB 1.231 39.286 38.460 -0.675 0.000 1.186 2595 Y HN 0.648 nan 8.280 nan 0.000 0.436 2596 S N 1.875 117.302 115.700 -0.454 0.000 2.707 2596 S HA 0.567 5.037 4.470 -0.000 0.000 0.276 2596 S C 1.327 175.697 174.600 -0.383 0.000 1.179 2596 S CA 0.153 58.178 58.200 -0.291 0.000 0.992 2596 S CB 1.156 64.260 63.200 -0.160 0.000 1.030 2596 S HN 0.958 nan 8.310 nan 0.000 0.554 2597 G N 1.113 109.819 108.800 -0.158 0.000 2.430 2597 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.216 2597 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.216 2597 G C 1.268 176.112 174.900 -0.093 0.000 1.146 2597 G CA 0.426 45.471 45.100 -0.092 0.000 0.793 2597 G HN 0.699 nan 8.290 nan 0.000 0.537 2598 I N 0.116 120.635 120.570 -0.085 0.000 2.315 2598 I HA -0.185 3.985 4.170 -0.000 0.000 0.248 2598 I C 2.920 179.003 176.117 -0.055 0.000 1.117 2598 I CA 0.981 62.247 61.300 -0.057 0.000 1.404 2598 I CB -0.215 37.759 38.000 -0.043 0.000 1.071 2598 I HN 0.153 nan 8.210 nan 0.000 0.419 2599 Q N 0.449 120.198 119.800 -0.085 0.000 2.077 2599 Q HA -0.226 4.114 4.340 -0.000 0.000 0.206 2599 Q C 2.213 178.250 176.000 0.063 0.000 0.989 2599 Q CA 1.572 57.386 55.803 0.019 0.000 0.853 2599 Q CB -0.376 28.337 28.738 -0.041 0.000 0.907 2599 Q HN 0.366 nan 8.270 nan 0.000 0.418 2600 L N 0.002 121.199 121.223 -0.043 0.000 1.989 2600 L HA -0.114 4.226 4.340 -0.000 0.000 0.211 2600 L C 2.010 178.815 176.870 -0.108 0.000 1.071 2600 L CA 2.575 57.342 54.840 -0.122 0.000 0.749 2600 L CB -1.691 40.374 42.059 0.009 0.000 0.890 2600 L HN 0.384 nan 8.230 nan 0.000 0.431 2601 G N -0.435 108.334 108.800 -0.052 0.000 2.469 2601 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.219 2601 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.219 2601 G C 1.395 176.268 174.900 -0.046 0.000 1.150 2601 G CA 0.905 45.983 45.100 -0.036 0.000 0.763 2601 G HN 0.607 nan 8.290 nan 0.000 0.561 2602 E N -0.552 119.627 120.200 -0.035 0.000 2.110 2602 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 2602 E C 2.035 178.602 176.600 -0.056 0.000 0.988 2602 E CA 0.973 57.360 56.400 -0.022 0.000 0.804 2602 E CB -0.207 29.506 29.700 0.021 0.000 0.745 2602 E HN 0.546 nan 8.360 nan 0.000 0.458 2603 F N 1.441 121.207 119.950 -0.308 0.000 2.059 2603 F HA -0.035 4.492 4.527 -0.000 0.000 0.289 2603 F C 2.283 177.890 175.800 -0.322 0.000 1.128 2603 F CA 1.372 59.120 58.000 -0.420 0.000 1.181 2603 F CB -0.610 37.842 39.000 -0.912 0.000 1.012 2603 F HN -0.048 nan 8.300 nan 0.000 0.473 2604 A N 0.412 123.159 122.820 -0.121 0.000 1.859 2604 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 2604 A C 2.176 179.650 177.584 -0.183 0.000 1.209 2604 A CA 3.041 54.980 52.037 -0.163 0.000 0.639 2604 A CB -1.652 17.353 19.000 0.007 0.000 0.835 2604 A HN 0.537 nan 8.150 nan 0.000 0.450 2605 T N 0.733 115.225 114.554 -0.103 0.000 2.564 2605 T HA -0.182 4.168 4.350 -0.000 0.000 0.264 2605 T C 0.019 174.681 174.700 -0.063 0.000 1.100 2605 T CA 2.459 64.517 62.100 -0.069 0.000 1.171 2605 T CB -1.679 67.165 68.868 -0.041 0.000 0.863 2605 T HN 0.465 nan 8.240 nan 0.000 0.430 2606 P HA -0.066 nan 4.420 nan 0.000 0.215 2606 P C 1.531 178.908 177.300 0.129 0.000 1.163 2606 P CA 1.162 64.311 63.100 0.081 0.000 0.894 2606 P CB -0.298 31.539 31.700 0.229 0.000 0.791 2607 I N -1.929 118.647 120.570 0.010 0.000 2.423 2607 I HA -0.221 3.949 4.170 -0.000 0.000 0.254 2607 I C 2.153 178.183 176.117 -0.145 0.000 1.151 2607 I CA 1.292 62.565 61.300 -0.044 0.000 1.421 2607 I CB -0.608 37.193 38.000 -0.332 0.000 1.079 2607 I HN -0.056 nan 8.210 nan 0.000 0.431 2608 L N -0.109 121.032 121.223 -0.135 0.000 2.249 2608 L HA -0.049 4.291 4.340 -0.000 0.000 0.207 2608 L C 2.419 179.234 176.870 -0.092 0.000 1.090 2608 L CA 0.785 55.544 54.840 -0.135 0.000 0.802 2608 L CB -0.320 41.704 42.059 -0.057 0.000 0.947 2608 L HN 0.180 nan 8.230 nan 0.000 0.453 2609 E N 0.129 120.295 120.200 -0.058 0.000 2.028 2609 E HA -0.257 4.093 4.350 -0.000 0.000 0.191 2609 E C 2.169 178.728 176.600 -0.069 0.000 0.988 2609 E CA 1.065 57.441 56.400 -0.041 0.000 0.799 2609 E CB -0.021 29.659 29.700 -0.034 0.000 0.755 2609 E HN 0.178 nan 8.360 nan 0.000 0.447 2610 R N 0.864 121.304 120.500 -0.100 0.000 2.115 2610 R HA -0.069 4.271 4.340 -0.000 0.000 0.230 2610 R C 1.952 178.153 176.300 -0.164 0.000 1.111 2610 R CA 1.411 57.425 56.100 -0.145 0.000 0.976 2610 R CB -0.315 29.869 30.300 -0.193 0.000 0.870 2610 R HN 0.165 nan 8.270 nan 0.000 0.445 2611 A N -0.937 121.709 122.820 -0.291 0.000 1.872 2611 A HA -0.034 4.285 4.320 -0.000 0.000 0.214 2611 A C 2.219 179.633 177.584 -0.284 0.000 1.187 2611 A CA 1.634 53.300 52.037 -0.618 0.000 0.614 2611 A CB -0.640 17.530 19.000 -1.382 0.000 0.826 2611 A HN 0.372 nan 8.150 nan 0.000 0.442 2612 S N -0.211 115.483 115.700 -0.011 0.000 2.355 2612 S HA 0.210 4.680 4.470 -0.000 0.000 0.222 2612 S C 1.278 175.970 174.600 0.153 0.000 1.031 2612 S CA 0.582 58.980 58.200 0.329 0.000 0.993 2612 S CB -0.463 62.883 63.200 0.243 0.000 0.859 2612 S HN 0.771 nan 8.310 nan 0.000 0.453 2613 A N 0.618 123.467 122.820 0.049 0.000 2.477 2613 A HA 0.529 4.849 4.320 -0.000 0.000 0.246 2613 A C 0.805 178.399 177.584 0.016 0.000 1.078 2613 A CA 0.133 52.183 52.037 0.021 0.000 0.770 2613 A CB -0.398 18.591 19.000 -0.017 0.000 1.011 2613 A HN 0.526 nan 8.150 nan 0.000 0.494 2614 M N -0.064 119.551 119.600 0.026 0.000 2.949 2614 M HA -0.275 4.205 4.480 -0.000 0.000 0.194 2614 M C 1.525 177.863 176.300 0.063 0.000 0.618 2614 M CA 1.566 56.881 55.300 0.025 0.000 0.742 2614 M CB -1.645 30.953 32.600 -0.005 0.000 2.662 2614 M HN 0.934 nan 8.290 nan 0.000 0.291 2615 K N 1.500 121.969 120.400 0.114 0.000 2.117 2615 K HA -0.291 4.029 4.320 -0.000 0.000 0.215 2615 K C 1.129 177.805 176.600 0.126 0.000 1.053 2615 K CA 2.616 59.018 56.287 0.192 0.000 0.935 2615 K CB -0.055 32.588 32.500 0.240 0.000 0.719 2615 K HN 0.477 nan 8.250 nan 0.000 0.460 2616 E N 1.107 121.355 120.200 0.079 0.000 2.171 2616 E HA -0.132 4.218 4.350 -0.000 0.000 0.197 2616 E C 1.385 178.016 176.600 0.052 0.000 0.997 2616 E CA 1.229 57.661 56.400 0.053 0.000 0.810 2616 E CB -0.257 29.464 29.700 0.035 0.000 0.738 2616 E HN 0.568 nan 8.360 nan 0.000 0.467 2617 S N 0.403 116.135 115.700 0.053 0.000 2.562 2617 S HA 0.102 4.572 4.470 -0.000 0.000 0.256 2617 S C 0.574 175.215 174.600 0.069 0.000 1.248 2617 S CA -0.196 58.033 58.200 0.049 0.000 0.988 2617 S CB -0.129 63.095 63.200 0.039 0.000 1.035 2617 S HN 0.545 nan 8.310 nan 0.000 0.548 2618 L N -1.756 119.511 121.223 0.073 0.000 3.798 2618 L HA -0.188 4.152 4.340 -0.000 0.000 0.582 2618 L C -0.990 175.938 176.870 0.096 0.000 1.096 2618 L CA 0.198 55.095 54.840 0.095 0.000 0.892 2618 L CB -2.476 39.650 42.059 0.111 0.000 1.181 2618 L HN 0.612 nan 8.230 nan 0.000 0.772 2619 N N 2.247 120.993 118.700 0.076 0.000 2.386 2619 N HA 0.155 4.895 4.740 -0.000 0.000 0.273 2619 N C 0.884 176.439 175.510 0.075 0.000 1.331 2619 N CA -0.271 52.816 53.050 0.063 0.000 0.891 2619 N CB 0.593 39.106 38.487 0.043 0.000 1.139 2619 N HN 0.494 nan 8.380 nan 0.000 0.487 2620 L N 1.852 123.118 121.223 0.071 0.000 2.375 2620 L HA 0.017 4.357 4.340 -0.000 0.000 0.215 2620 L C 1.857 178.754 176.870 0.045 0.000 1.108 2620 L CA 1.289 56.172 54.840 0.071 0.000 0.830 2620 L CB -0.122 41.970 42.059 0.054 0.000 0.959 2620 L HN 0.593 nan 8.230 nan 0.000 0.457 2621 Q N -1.289 118.530 119.800 0.032 0.000 2.339 2621 Q HA 0.187 4.527 4.340 -0.000 0.000 0.193 2621 Q C 0.852 176.863 176.000 0.019 0.000 0.998 2621 Q CA 0.304 56.120 55.803 0.021 0.000 0.847 2621 Q CB -0.661 28.083 28.738 0.011 0.000 0.988 2621 Q HN 0.233 nan 8.270 nan 0.000 0.558 2622 S N 3.340 119.048 115.700 0.012 0.000 2.537 2622 S HA 0.077 4.547 4.470 -0.000 0.000 0.286 2622 S C -1.836 172.766 174.600 0.003 0.000 1.299 2622 S CA -1.183 57.018 58.200 0.002 0.000 1.067 2622 S CB 0.301 63.499 63.200 -0.004 0.000 0.864 2622 S HN 0.033 nan 8.310 nan 0.000 0.494 2623 P HA 0.095 nan 4.420 nan 0.000 0.327 2623 P C -0.540 176.737 177.300 -0.039 0.000 1.414 2623 P CA -0.123 62.967 63.100 -0.017 0.000 0.823 2623 P CB 0.033 31.708 31.700 -0.041 0.000 1.899 2624 A N -1.140 121.617 122.820 -0.105 0.000 2.309 2624 A HA 0.459 4.779 4.320 -0.000 0.000 0.290 2624 A C 1.601 179.086 177.584 -0.165 0.000 1.206 2624 A CA 0.080 52.034 52.037 -0.138 0.000 0.850 2624 A CB -0.120 18.716 19.000 -0.272 0.000 1.118 2624 A HN 0.508 nan 8.150 nan 0.000 0.523 2625 K N 2.717 123.057 120.400 -0.101 0.000 2.113 2625 K HA -0.254 4.066 4.320 -0.000 0.000 0.208 2625 K C 1.384 177.904 176.600 -0.134 0.000 1.047 2625 K CA 2.551 58.781 56.287 -0.095 0.000 0.928 2625 K CB -1.089 31.376 32.500 -0.058 0.000 0.716 2625 K HN 0.827 nan 8.250 nan 0.000 0.446 2626 N N 0.296 118.891 118.700 -0.175 0.000 2.104 2626 N HA -0.049 4.691 4.740 -0.000 0.000 0.190 2626 N C 0.739 176.091 175.510 -0.263 0.000 1.024 2626 N CA 1.007 53.931 53.050 -0.209 0.000 0.853 2626 N CB -0.352 37.994 38.487 -0.235 0.000 1.008 2626 N HN 0.454 nan 8.380 nan 0.000 0.424 2627 L N 1.411 122.426 121.223 -0.348 0.000 2.388 2627 L HA 0.071 4.411 4.340 -0.000 0.000 0.252 2627 L C -0.456 176.314 176.870 -0.167 0.000 1.357 2627 L CA 0.276 54.933 54.840 -0.305 0.000 1.214 2627 L CB -0.362 41.468 42.059 -0.381 0.000 1.392 2627 L HN -0.001 nan 8.230 nan 0.000 0.432 2628 D N 0.770 121.094 120.400 -0.125 0.000 2.957 2628 D HA 0.015 4.655 4.640 -0.000 0.000 0.352 2628 D C 1.107 177.382 176.300 -0.041 0.000 1.352 2628 D CA -0.156 53.800 54.000 -0.072 0.000 0.831 2628 D CB 0.560 41.319 40.800 -0.069 0.000 1.147 2628 D HN 0.154 nan 8.370 nan 0.000 0.467 2629 K N 0.654 121.043 120.400 -0.018 0.000 2.632 2629 K HA 0.066 4.386 4.320 -0.000 0.000 0.196 2629 K C 1.359 177.972 176.600 0.023 0.000 1.023 2629 K CA 0.398 56.700 56.287 0.025 0.000 1.098 2629 K CB -1.274 31.284 32.500 0.098 0.000 0.862 2629 K HN 0.203 nan 8.250 nan 0.000 0.504 2630 V N -1.302 118.615 119.914 0.005 0.000 1.878 2630 V HA -0.372 3.748 4.120 -0.000 0.000 0.079 2630 V C 0.744 176.844 176.094 0.010 0.000 0.474 2630 V CA 2.950 65.253 62.300 0.005 0.000 1.423 2630 V CB -2.900 28.927 31.823 0.007 0.000 1.673 2630 V HN 1.325 nan 8.190 nan 0.000 0.860 2631 T N -3.618 110.948 114.554 0.019 0.000 0.541 2631 T HA 0.481 4.831 4.350 -0.000 0.000 0.774 2631 T C 0.672 175.388 174.700 0.026 0.000 0.992 2631 T CA 1.048 63.161 62.100 0.023 0.000 4.077 2631 T CB -1.326 67.549 68.868 0.012 0.000 2.303 2631 T HN 2.442 nan 8.240 nan 0.000 0.398 2632 T N 2.752 117.322 114.554 0.027 0.000 5.111 2632 T HA 0.268 4.618 4.350 -0.000 0.000 0.256 2632 T C -0.092 174.618 174.700 0.017 0.000 0.925 2632 T CA 0.005 62.117 62.100 0.020 0.000 0.924 2632 T CB -0.197 68.685 68.868 0.023 0.000 0.719 2632 T HN 0.994 nan 8.240 nan 0.000 0.384 2633 E N 1.813 122.024 120.200 0.019 0.000 3.326 2633 E HA -0.060 4.290 4.350 -0.000 0.000 0.285 2633 E C -0.101 176.509 176.600 0.018 0.000 0.864 2633 E CA 0.543 56.955 56.400 0.019 0.000 0.984 2633 E CB 0.281 29.993 29.700 0.019 0.000 0.952 2633 E HN 0.254 nan 8.360 nan 0.000 0.525 2634 S N 2.191 117.901 115.700 0.018 0.000 2.481 2634 S HA 0.235 4.705 4.470 -0.000 0.000 0.276 2634 S C 0.498 175.131 174.600 0.054 0.000 1.247 2634 S CA -0.265 57.947 58.200 0.020 0.000 1.053 2634 S CB 1.139 64.343 63.200 0.007 0.000 0.925 2634 S HN 0.616 nan 8.310 nan 0.000 0.491 2635 S N 2.449 118.178 115.700 0.048 0.000 2.552 2635 S HA 0.297 4.767 4.470 -0.000 0.000 0.289 2635 S C -0.446 174.230 174.600 0.126 0.000 1.304 2635 S CA 0.417 58.655 58.200 0.063 0.000 1.063 2635 S CB -0.124 63.091 63.200 0.025 0.000 0.848 2635 S HN 0.693 nan 8.310 nan 0.000 0.499 2636 Y N 2.101 122.395 120.300 -0.009 0.000 2.354 2636 Y HA 0.543 5.093 4.550 -0.000 0.000 0.330 2636 Y C -0.208 175.689 175.900 -0.005 0.000 1.011 2636 Y CA -1.171 56.924 58.100 -0.007 0.000 1.099 2636 Y CB 1.067 39.523 38.460 -0.007 0.000 1.179 2636 Y HN 0.810 nan 8.280 nan 0.000 0.442 2637 A N 6.793 129.240 122.820 -0.622 0.000 2.301 2637 A HA 0.533 4.853 4.320 -0.000 0.000 0.298 2637 A C -0.208 176.999 177.584 -0.628 0.000 1.185 2637 A CA -0.714 51.044 52.037 -0.464 0.000 0.830 2637 A CB 0.184 19.021 19.000 -0.271 0.000 1.112 2637 A HN 0.865 nan 8.150 nan 0.000 0.508 2638 M N 4.707 124.119 119.600 -0.314 0.000 2.252 2638 M HA 0.271 4.751 4.480 -0.000 0.000 0.348 2638 M C -2.273 173.937 176.300 -0.150 0.000 1.334 2638 M CA -1.254 53.941 55.300 -0.175 0.000 1.071 2638 M CB -0.281 32.287 32.600 -0.052 0.000 1.763 2638 M HN 0.381 nan 8.290 nan 0.000 0.452 2639 P HA 0.098 nan 4.420 nan 0.000 0.291 2639 P C -1.254 176.027 177.300 -0.031 0.000 1.287 2639 P CA -0.447 62.620 63.100 -0.056 0.000 0.767 2639 P CB 0.404 32.103 31.700 -0.002 0.000 1.290 2640 S N -0.923 114.766 115.700 -0.018 0.000 2.422 2640 S HA 0.444 4.914 4.470 -0.000 0.000 0.298 2640 S C 0.534 175.133 174.600 -0.002 0.000 1.118 2640 S CA -0.682 57.511 58.200 -0.011 0.000 1.083 2640 S CB -1.163 62.030 63.200 -0.012 0.000 0.971 2640 S HN 0.388 nan 8.310 nan 0.000 0.478 2641 I N 3.818 124.388 120.570 -0.000 0.000 2.882 2641 I HA 0.506 4.676 4.170 -0.000 0.000 0.276 2641 I C 0.387 176.500 176.117 -0.006 0.000 1.096 2641 I CA -0.134 61.166 61.300 -0.000 0.000 1.872 2641 I CB -1.670 36.329 38.000 -0.002 0.000 1.383 2641 I HN 0.571 nan 8.210 nan 0.000 0.758 2642 K N 1.646 122.044 120.400 -0.004 0.000 2.507 2642 K HA 0.503 4.823 4.320 -0.000 0.000 0.252 2642 K C 0.115 176.714 176.600 -0.002 0.000 0.943 2642 K CA -0.500 55.783 56.287 -0.006 0.000 0.808 2642 K CB 0.746 33.243 32.500 -0.006 0.000 1.142 2642 K HN 0.431 nan 8.250 nan 0.000 0.426 2643 D N 2.085 122.483 120.400 -0.004 0.000 2.870 2643 D HA -0.249 4.391 4.640 -0.000 0.000 0.228 2643 D C -0.614 175.688 176.300 0.004 0.000 1.147 2643 D CA 1.109 55.108 54.000 -0.001 0.000 0.757 2643 D CB -0.669 40.131 40.800 -0.000 0.000 1.091 2643 D HN 0.538 nan 8.370 nan 0.000 0.429 2644 I N 0.342 120.915 120.570 0.005 0.000 2.534 2644 I HA 0.161 4.331 4.170 -0.000 0.000 0.288 2644 I C -0.128 175.997 176.117 0.013 0.000 1.077 2644 I CA -0.579 60.728 61.300 0.012 0.000 1.051 2644 I CB 1.525 39.535 38.000 0.016 0.000 1.234 2644 I HN -0.052 nan 8.210 nan 0.000 0.425 2645 S N 6.889 122.600 115.700 0.017 0.000 2.515 2645 S HA 0.189 4.659 4.470 -0.000 0.000 0.285 2645 S C -1.851 172.764 174.600 0.025 0.000 1.265 2645 S CA -0.785 57.426 58.200 0.018 0.000 1.079 2645 S CB 0.618 63.831 63.200 0.023 0.000 0.877 2645 S HN 0.566 nan 8.310 nan 0.000 0.493 2646 P HA -0.222 nan 4.420 nan 0.000 0.222 2646 P C 1.754 179.079 177.300 0.042 0.000 1.157 2646 P CA 2.102 65.218 63.100 0.026 0.000 0.905 2646 P CB -0.384 31.328 31.700 0.020 0.000 0.792 2647 G N -1.016 107.812 108.800 0.047 0.000 2.433 2647 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.216 2647 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.216 2647 G C 1.760 176.701 174.900 0.068 0.000 1.186 2647 G CA 1.426 46.563 45.100 0.062 0.000 0.779 2647 G HN 0.399 nan 8.290 nan 0.000 0.543 2648 E N 0.647 120.884 120.200 0.061 0.000 2.333 2648 E HA 0.088 4.438 4.350 -0.000 0.000 0.198 2648 E C 2.185 178.821 176.600 0.060 0.000 1.007 2648 E CA 1.016 57.455 56.400 0.064 0.000 0.845 2648 E CB -0.263 29.469 29.700 0.054 0.000 0.766 2648 E HN 0.426 nan 8.360 nan 0.000 0.507 2649 L N -0.766 120.490 121.223 0.055 0.000 2.127 2649 L HA 0.205 4.545 4.340 -0.000 0.000 0.203 2649 L C 2.781 179.689 176.870 0.065 0.000 1.080 2649 L CA 1.739 56.613 54.840 0.057 0.000 0.768 2649 L CB -0.978 41.109 42.059 0.046 0.000 0.924 2649 L HN 0.391 nan 8.230 nan 0.000 0.444 2650 A N 0.480 123.338 122.820 0.063 0.000 1.849 2650 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 2650 A C 1.961 179.583 177.584 0.065 0.000 1.202 2650 A CA 1.997 54.074 52.037 0.065 0.000 0.629 2650 A CB -0.849 18.194 19.000 0.072 0.000 0.834 2650 A HN 0.584 nan 8.150 nan 0.000 0.447 2651 E N -0.321 119.925 120.200 0.077 0.000 2.147 2651 E HA -0.263 4.087 4.350 -0.000 0.000 0.199 2651 E C 2.296 178.925 176.600 0.047 0.000 1.005 2651 E CA 1.100 57.545 56.400 0.076 0.000 0.810 2651 E CB -0.406 29.352 29.700 0.098 0.000 0.736 2651 E HN 0.636 nan 8.360 nan 0.000 0.460 2652 A N 1.418 124.272 122.820 0.057 0.000 1.834 2652 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 2652 A C 2.261 179.871 177.584 0.043 0.000 1.203 2652 A CA 1.549 53.623 52.037 0.062 0.000 0.621 2652 A CB -0.950 18.102 19.000 0.088 0.000 0.841 2652 A HN 0.118 nan 8.150 nan 0.000 0.446 2653 L N -0.290 120.972 121.223 0.066 0.000 2.010 2653 L HA -0.280 4.060 4.340 -0.000 0.000 0.219 2653 L C 2.717 179.537 176.870 -0.083 0.000 1.077 2653 L CA 2.224 57.081 54.840 0.028 0.000 0.773 2653 L CB -0.641 41.459 42.059 0.069 0.000 0.892 2653 L HN 0.329 nan 8.230 nan 0.000 0.436 2654 R N -0.150 120.321 120.500 -0.049 0.000 2.200 2654 R HA -0.131 4.209 4.340 -0.000 0.000 0.234 2654 R C 2.032 178.230 176.300 -0.169 0.000 1.127 2654 R CA 1.007 57.053 56.100 -0.089 0.000 0.989 2654 R CB -0.437 29.841 30.300 -0.036 0.000 0.869 2654 R HN 0.471 nan 8.270 nan 0.000 0.459 2655 R N 0.233 120.641 120.500 -0.153 0.000 2.313 2655 R HA 0.076 4.416 4.340 -0.000 0.000 0.199 2655 R C 0.490 176.663 176.300 -0.213 0.000 0.958 2655 R CA 0.273 56.271 56.100 -0.170 0.000 1.047 2655 R CB 0.191 30.442 30.300 -0.082 0.000 0.955 2655 R HN 0.204 nan 8.270 nan 0.000 0.481 2656 N N 0.582 119.094 118.700 -0.314 0.000 2.241 2656 N HA 0.172 4.912 4.740 -0.000 0.000 0.238 2656 N C -0.211 175.055 175.510 -0.407 0.000 1.244 2656 N CA 0.028 52.778 53.050 -0.500 0.000 0.880 2656 N CB 0.985 38.753 38.487 -1.199 0.000 1.179 2656 N HN 0.060 nan 8.380 nan 0.000 0.513 2657 I N 0.107 120.523 120.570 -0.257 0.000 6.173 2657 I HA -0.242 3.928 4.170 -0.000 0.000 0.126 2657 I C -1.027 175.013 176.117 -0.129 0.000 1.821 2657 I CA 0.198 61.398 61.300 -0.167 0.000 2.040 2657 I CB -1.970 35.954 38.000 -0.127 0.000 3.448 2657 I HN -0.211 nan 8.210 nan 0.000 0.170 2658 V N 1.944 121.786 119.914 -0.119 0.000 2.555 2658 V HA 0.370 4.490 4.120 -0.000 0.000 0.302 2658 V C 0.390 176.471 176.094 -0.021 0.000 1.038 2658 V CA -0.500 61.772 62.300 -0.047 0.000 0.887 2658 V CB 2.016 33.836 31.823 -0.006 0.000 0.991 2658 V HN 0.268 nan 8.190 nan 0.000 0.434 2659 Q N 6.024 125.822 119.800 -0.002 0.000 2.360 2659 Q HA 0.384 4.724 4.340 -0.000 0.000 0.254 2659 Q C -2.489 173.521 176.000 0.018 0.000 0.975 2659 Q CA -1.545 54.266 55.803 0.012 0.000 0.912 2659 Q CB 2.097 30.846 28.738 0.018 0.000 1.212 2659 Q HN 0.505 nan 8.270 nan 0.000 0.452 2660 P HA 0.477 nan 4.420 nan 0.000 0.286 2660 P C -0.679 176.646 177.300 0.042 0.000 1.292 2660 P CA -0.654 62.466 63.100 0.033 0.000 0.842 2660 P CB 1.776 33.504 31.700 0.047 0.000 1.207 2661 I N 0.112 120.702 120.570 0.033 0.000 2.590 2661 I HA 0.131 4.301 4.170 -0.000 0.000 0.283 2661 I C -0.719 175.444 176.117 0.077 0.000 1.154 2661 I CA -0.889 60.452 61.300 0.068 0.000 1.067 2661 I CB 2.242 40.243 38.000 0.003 0.000 1.243 2661 I HN -0.068 nan 8.210 nan 0.000 0.451 2662 V N 7.048 127.021 119.914 0.099 0.000 2.353 2662 V HA 0.196 4.316 4.120 -0.000 0.000 0.264 2662 V C 0.349 176.514 176.094 0.119 0.000 1.049 2662 V CA -0.530 61.823 62.300 0.088 0.000 0.896 2662 V CB 1.253 33.118 31.823 0.070 0.000 1.025 2662 V HN 0.366 nan 8.190 nan 0.000 0.475 2663 V N 6.047 126.047 119.914 0.144 0.000 2.455 2663 V HA 0.732 4.852 4.120 -0.000 0.000 0.273 2663 V C 1.012 177.191 176.094 0.142 0.000 1.045 2663 V CA 1.120 63.542 62.300 0.203 0.000 0.976 2663 V CB 0.096 32.135 31.823 0.361 0.000 0.993 2663 V HN 1.246 nan 8.190 nan 0.000 0.475 2664 G N 4.882 113.756 108.800 0.124 0.000 2.500 2664 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.209 2664 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.209 2664 G C 0.261 175.192 174.900 0.052 0.000 1.283 2664 G CA 0.182 45.332 45.100 0.083 0.000 0.960 2664 G HN 1.334 nan 8.290 nan 0.000 0.528 2665 T N -2.043 112.532 114.554 0.035 0.000 3.087 2665 T HA 0.576 4.926 4.350 -0.000 0.000 0.283 2665 T C 1.277 175.986 174.700 0.015 0.000 0.956 2665 T CA 1.274 63.389 62.100 0.024 0.000 0.894 2665 T CB 0.603 69.482 68.868 0.018 0.000 1.160 2665 T HN 2.044 nan 8.240 nan 0.000 0.532 2666 G N 1.914 110.721 108.800 0.011 0.000 2.432 2666 G HA2 0.341 4.301 3.960 -0.000 0.000 0.239 2666 G HA3 0.341 4.301 3.960 -0.000 0.000 0.239 2666 G C 1.086 175.986 174.900 0.000 0.000 1.291 2666 G CA 0.285 45.385 45.100 0.001 0.000 0.863 2666 G HN 0.397 nan 8.290 nan 0.000 0.560 2667 T N -1.176 113.377 114.554 -0.002 0.000 3.163 2667 T HA 0.126 4.476 4.350 -0.000 0.000 0.260 2667 T C 0.754 175.451 174.700 -0.004 0.000 1.156 2667 T CA 0.671 62.772 62.100 0.000 0.000 1.072 2667 T CB -0.103 68.765 68.868 -0.000 0.000 0.937 2667 T HN 0.412 nan 8.240 nan 0.000 0.528 2668 K N 0.772 121.165 120.400 -0.013 0.000 2.427 2668 K HA 0.517 4.837 4.320 -0.000 0.000 0.252 2668 K C -0.845 175.734 176.600 -0.034 0.000 0.931 2668 K CA -0.832 55.443 56.287 -0.020 0.000 0.793 2668 K CB 2.291 34.777 32.500 -0.023 0.000 1.211 2668 K HN 0.165 nan 8.250 nan 0.000 0.426 2669 I N 3.904 124.454 120.570 -0.034 0.000 2.471 2669 I HA -0.038 4.132 4.170 -0.000 0.000 0.294 2669 I C 1.534 177.603 176.117 -0.081 0.000 1.123 2669 I CA 0.208 61.477 61.300 -0.053 0.000 1.336 2669 I CB 0.186 38.167 38.000 -0.033 0.000 1.430 2669 I HN 0.640 nan 8.210 nan 0.000 0.533 2670 K N 5.472 125.798 120.400 -0.123 0.000 2.217 2670 K HA 0.036 4.356 4.320 -0.000 0.000 0.202 2670 K C 0.369 176.853 176.600 -0.194 0.000 1.051 2670 K CA 1.208 57.404 56.287 -0.151 0.000 0.952 2670 K CB 0.500 32.888 32.500 -0.186 0.000 0.736 2670 K HN 0.679 nan 8.250 nan 0.000 0.453 2671 E N -1.504 118.546 120.200 -0.249 0.000 2.429 2671 E HA 0.104 4.454 4.350 -0.000 0.000 0.277 2671 E C -1.609 174.883 176.600 -0.181 0.000 1.130 2671 E CA -0.578 55.679 56.400 -0.238 0.000 0.875 2671 E CB 1.900 31.347 29.700 -0.422 0.000 1.443 2671 E HN 0.226 nan 8.360 nan 0.000 0.444 2672 T N -2.614 111.952 114.554 0.020 0.000 2.885 2672 T HA 0.249 4.599 4.350 -0.000 0.000 0.322 2672 T C 0.426 175.350 174.700 0.373 0.000 1.387 2672 T CA -0.174 62.025 62.100 0.165 0.000 1.041 2672 T CB 1.220 70.141 68.868 0.088 0.000 1.287 2672 T HN 0.422 nan 8.240 nan 0.000 0.491 2673 S N 0.164 116.081 115.700 0.360 0.000 2.522 2673 S HA 0.227 4.697 4.470 -0.000 0.000 0.227 2673 S C 0.536 175.190 174.600 0.090 0.000 0.986 2673 S CA 0.020 58.337 58.200 0.196 0.000 0.929 2673 S CB -0.229 63.017 63.200 0.075 0.000 0.769 2673 S HN 0.778 nan 8.310 nan 0.000 0.529 2674 V N 2.768 122.736 119.914 0.089 0.000 2.409 2674 V HA 0.341 4.461 4.120 -0.000 0.000 0.290 2674 V C -1.016 175.105 176.094 0.045 0.000 1.017 2674 V CA -0.965 61.365 62.300 0.049 0.000 0.841 2674 V CB 1.387 33.232 31.823 0.037 0.000 1.003 2674 V HN 0.219 nan 8.190 nan 0.000 0.426 2675 E N 3.106 123.327 120.200 0.035 0.000 2.493 2675 E HA -0.020 4.330 4.350 -0.000 0.000 0.255 2675 E C 0.553 177.156 176.600 0.005 0.000 0.999 2675 E CA 0.169 56.584 56.400 0.025 0.000 0.934 2675 E CB 0.195 29.906 29.700 0.019 0.000 0.940 2675 E HN 0.676 nan 8.360 nan 0.000 0.473 2676 E N 2.508 122.709 120.200 0.002 0.000 3.089 2676 E HA -0.150 4.200 4.350 -0.000 0.000 0.226 2676 E C 0.645 177.228 176.600 -0.029 0.000 1.083 2676 E CA 0.952 57.343 56.400 -0.016 0.000 0.938 2676 E CB -0.705 28.987 29.700 -0.013 0.000 0.942 2676 E HN 0.771 nan 8.360 nan 0.000 0.549 2677 G N 2.360 111.132 108.800 -0.046 0.000 3.638 2677 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.196 2677 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.196 2677 G C 0.689 175.557 174.900 -0.053 0.000 1.315 2677 G CA 0.075 45.144 45.100 -0.053 0.000 0.944 2677 G HN 0.862 nan 8.290 nan 0.000 0.434 2678 T N 0.602 115.137 114.554 -0.033 0.000 2.848 2678 T HA 0.381 4.731 4.350 -0.000 0.000 0.340 2678 T C 0.456 175.135 174.700 -0.035 0.000 1.091 2678 T CA 1.478 63.564 62.100 -0.025 0.000 1.123 2678 T CB -0.020 68.841 68.868 -0.010 0.000 1.042 2678 T HN 0.909 nan 8.240 nan 0.000 0.544 2679 N N -0.154 118.534 118.700 -0.021 0.000 2.408 2679 N HA 0.514 5.254 4.740 -0.000 0.000 0.260 2679 N C -1.182 174.342 175.510 0.024 0.000 1.242 2679 N CA -0.511 52.532 53.050 -0.011 0.000 0.959 2679 N CB 0.461 38.949 38.487 0.002 0.000 1.201 2679 N HN 0.413 nan 8.380 nan 0.000 0.511 2680 L N 1.893 123.160 121.223 0.074 0.000 2.415 2680 L HA 0.555 4.895 4.340 -0.000 0.000 0.268 2680 L C -0.152 176.786 176.870 0.113 0.000 0.984 2680 L CA -0.486 54.426 54.840 0.120 0.000 0.853 2680 L CB 0.652 42.858 42.059 0.245 0.000 1.215 2680 L HN 0.780 nan 8.230 nan 0.000 0.419 2681 A N 5.498 128.354 122.820 0.061 0.000 2.387 2681 A HA 0.634 4.954 4.320 -0.000 0.000 0.251 2681 A C -2.304 175.299 177.584 0.032 0.000 1.113 2681 A CA -0.692 51.370 52.037 0.041 0.000 0.794 2681 A CB -0.571 18.442 19.000 0.021 0.000 1.069 2681 A HN 0.527 nan 8.150 nan 0.000 0.506 2682 P HA 0.192 nan 4.420 nan 0.000 0.276 2682 P C -0.679 176.616 177.300 -0.007 0.000 1.230 2682 P CA -0.089 63.007 63.100 -0.007 0.000 0.776 2682 P CB 0.303 31.998 31.700 -0.008 0.000 0.888 2683 N N -0.439 118.252 118.700 -0.016 0.000 2.735 2683 N HA -0.217 4.523 4.740 -0.000 0.000 0.248 2683 N C -0.159 175.350 175.510 -0.002 0.000 1.083 2683 N CA 0.828 53.873 53.050 -0.009 0.000 0.703 2683 N CB -1.328 37.156 38.487 -0.005 0.000 1.005 2683 N HN 0.646 nan 8.380 nan 0.000 0.550 2684 Q N 0.303 120.104 119.800 0.002 0.000 2.214 2684 Q HA 0.264 4.604 4.340 -0.000 0.000 0.251 2684 Q C -0.402 175.596 176.000 -0.003 0.000 0.936 2684 Q CA -0.466 55.338 55.803 0.001 0.000 0.894 2684 Q CB 1.052 29.797 28.738 0.011 0.000 1.252 2684 Q HN 0.196 nan 8.270 nan 0.000 0.448 2685 Q N 1.040 120.827 119.800 -0.021 0.000 2.235 2685 Q HA 0.471 4.811 4.340 -0.000 0.000 0.250 2685 Q C -1.179 174.798 176.000 -0.039 0.000 0.909 2685 Q CA -0.546 55.231 55.803 -0.043 0.000 0.910 2685 Q CB 1.982 30.666 28.738 -0.090 0.000 1.223 2685 Q HN 0.347 nan 8.270 nan 0.000 0.432 2686 V N 3.369 123.263 119.914 -0.032 0.000 2.525 2686 V HA 0.238 4.358 4.120 -0.000 0.000 0.299 2686 V C -0.360 175.731 176.094 -0.006 0.000 1.034 2686 V CA -0.717 61.582 62.300 -0.001 0.000 0.863 2686 V CB 1.840 33.684 31.823 0.036 0.000 0.999 2686 V HN 0.679 nan 8.190 nan 0.000 0.423 2687 L N 5.337 126.578 121.223 0.029 0.000 2.436 2687 L HA 0.486 4.826 4.340 -0.000 0.000 0.265 2687 L C -0.227 176.709 176.870 0.110 0.000 1.168 2687 L CA 0.018 54.907 54.840 0.081 0.000 0.815 2687 L CB 1.371 43.609 42.059 0.299 0.000 1.109 2687 L HN 0.582 nan 8.230 nan 0.000 0.462 2688 L N 4.750 126.018 121.223 0.075 0.000 2.527 2688 L HA 0.272 4.612 4.340 -0.000 0.000 0.261 2688 L C -0.198 176.657 176.870 -0.026 0.000 1.534 2688 L CA -0.318 54.534 54.840 0.019 0.000 0.757 2688 L CB 1.181 43.258 42.059 0.031 0.000 0.999 2688 L HN 0.479 nan 8.230 nan 0.000 0.517 2689 L N 1.879 123.020 121.223 -0.138 0.000 2.628 2689 L HA -0.029 4.311 4.340 -0.000 0.000 0.274 2689 L C 1.062 177.849 176.870 -0.139 0.000 1.209 2689 L CA 0.488 55.218 54.840 -0.182 0.000 0.930 2689 L CB 0.785 42.520 42.059 -0.540 0.000 1.183 2689 L HN 0.605 nan 8.230 nan 0.000 0.492 2690 S N 2.014 117.680 115.700 -0.057 0.000 2.681 2690 S HA 0.172 4.642 4.470 -0.000 0.000 0.270 2690 S C 0.206 174.770 174.600 -0.061 0.000 1.209 2690 S CA -0.719 57.455 58.200 -0.044 0.000 0.988 2690 S CB 1.281 64.478 63.200 -0.004 0.000 1.006 2690 S HN 0.674 nan 8.310 nan 0.000 0.558 2691 D N -0.462 119.909 120.400 -0.048 0.000 3.060 2691 D HA 0.226 4.866 4.640 -0.000 0.000 0.245 2691 D C -0.256 176.026 176.300 -0.029 0.000 1.274 2691 D CA -0.287 53.683 54.000 -0.049 0.000 0.864 2691 D CB -0.667 40.107 40.800 -0.044 0.000 1.073 2691 D HN 0.605 nan 8.370 nan 0.000 0.473 2692 K N -0.039 120.350 120.400 -0.019 0.000 2.426 2692 K HA 0.205 4.525 4.320 -0.000 0.000 0.332 2692 K C -2.364 174.245 176.600 0.015 0.000 1.275 2692 K CA -0.439 55.846 56.287 -0.004 0.000 1.121 2692 K CB 0.895 33.395 32.500 -0.001 0.000 1.395 2692 K HN -0.076 nan 8.250 nan 0.000 0.468 2693 V N 4.336 124.265 119.914 0.025 0.000 2.398 2693 V HA 0.326 4.446 4.120 -0.000 0.000 0.282 2693 V C -0.003 176.124 176.094 0.055 0.000 1.014 2693 V CA -0.479 61.858 62.300 0.061 0.000 0.838 2693 V CB 1.442 33.324 31.823 0.099 0.000 1.018 2693 V HN 0.846 nan 8.190 nan 0.000 0.432 2694 E N 2.746 122.975 120.200 0.048 0.000 2.603 2694 E HA 0.293 4.643 4.350 -0.000 0.000 0.211 2694 E C -0.254 176.369 176.600 0.039 0.000 0.995 2694 E CA 0.010 56.432 56.400 0.037 0.000 0.990 2694 E CB 0.970 30.683 29.700 0.020 0.000 1.036 2694 E HN 0.756 nan 8.360 nan 0.000 0.475 2695 E N 0.903 121.135 120.200 0.055 0.000 2.343 2695 E HA 0.287 4.637 4.350 -0.000 0.000 0.278 2695 E C -0.924 175.712 176.600 0.061 0.000 0.910 2695 E CA -0.641 55.782 56.400 0.038 0.000 0.757 2695 E CB 2.716 32.421 29.700 0.007 0.000 1.218 2695 E HN 0.027 nan 8.360 nan 0.000 0.435 2696 I N 2.682 123.275 120.570 0.040 0.000 2.813 2696 I HA 0.136 4.306 4.170 -0.000 0.000 0.287 2696 I C -2.374 173.697 176.117 -0.077 0.000 1.196 2696 I CA -1.190 60.129 61.300 0.030 0.000 1.421 2696 I CB 0.828 38.829 38.000 0.002 0.000 1.365 2696 I HN 0.354 nan 8.210 nan 0.000 0.591 2697 P HA 0.259 nan 4.420 nan 0.000 0.293 2697 P C -1.842 175.212 177.300 -0.410 0.000 1.305 2697 P CA -0.573 62.362 63.100 -0.274 0.000 0.874 2697 P CB 0.661 32.198 31.700 -0.271 0.000 1.288 2698 D N 0.612 120.791 120.400 -0.370 0.000 2.339 2698 D HA 0.164 4.804 4.640 -0.000 0.000 0.241 2698 D C 0.440 176.346 176.300 -0.656 0.000 1.183 2698 D CA 0.147 53.921 54.000 -0.376 0.000 0.859 2698 D CB 0.439 41.098 40.800 -0.235 0.000 1.067 2698 D HN 0.228 nan 8.370 nan 0.000 0.484 2699 M N 3.399 122.494 119.600 -0.842 0.000 2.428 2699 M HA 0.028 4.508 4.480 -0.000 0.000 0.239 2699 M C 0.288 176.225 176.300 -0.605 0.000 1.121 2699 M CA -0.600 53.827 55.300 -1.455 0.000 1.019 2699 M CB 0.101 31.884 32.600 -1.362 0.000 1.485 2699 M HN 0.368 nan 8.290 nan 0.000 0.484 2700 Y N 1.671 121.757 120.300 -0.357 0.000 2.986 2700 Y HA -0.020 4.530 4.550 -0.000 0.000 0.342 2700 Y C 1.441 177.336 175.900 -0.009 0.000 1.275 2700 Y CA 1.910 59.930 58.100 -0.134 0.000 1.527 2700 Y CB 0.373 38.768 38.460 -0.108 0.000 1.296 2700 Y HN 0.521 nan 8.280 nan 0.000 0.628 2701 G N 2.947 111.357 108.800 -0.651 0.000 2.480 2701 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.246 2701 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.246 2701 G C 0.087 175.022 174.900 0.058 0.000 1.073 2701 G CA 0.189 45.153 45.100 -0.226 0.000 0.643 2701 G HN 0.760 nan 8.290 nan 0.000 0.525 2702 W N 2.034 123.275 121.300 -0.098 0.000 2.571 2702 W HA 0.422 5.082 4.660 -0.000 0.000 0.334 2702 W C 1.032 177.527 176.519 -0.041 0.000 1.141 2702 W CA 0.578 57.896 57.345 -0.045 0.000 1.299 2702 W CB -0.153 29.288 29.460 -0.031 0.000 1.154 2702 W HN 0.794 nan 8.180 nan 0.000 0.563 2703 K N 4.738 125.204 120.400 0.110 0.000 2.368 2703 K HA 0.050 4.370 4.320 -0.000 0.000 0.282 2703 K C 1.266 177.909 176.600 0.072 0.000 1.035 2703 K CA 0.274 56.584 56.287 0.038 0.000 0.973 2703 K CB 0.175 32.663 32.500 -0.020 0.000 0.957 2703 K HN 0.680 nan 8.250 nan 0.000 0.474 2704 K N 0.973 121.383 120.400 0.016 0.000 2.127 2704 K HA -0.286 4.034 4.320 -0.000 0.000 0.212 2704 K C 1.910 178.568 176.600 0.098 0.000 1.050 2704 K CA 2.579 58.850 56.287 -0.027 0.000 0.929 2704 K CB 0.127 32.416 32.500 -0.352 0.000 0.715 2704 K HN 0.873 nan 8.250 nan 0.000 0.457 2705 E N -0.373 119.834 120.200 0.013 0.000 2.107 2705 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 2705 E C 1.573 178.180 176.600 0.011 0.000 0.982 2705 E CA 1.596 58.005 56.400 0.017 0.000 0.809 2705 E CB -0.613 29.065 29.700 -0.037 0.000 0.756 2705 E HN 0.230 nan 8.360 nan 0.000 0.459 2706 T N 0.960 115.500 114.554 -0.024 0.000 3.007 2706 T HA 0.082 4.431 4.350 -0.000 0.000 0.270 2706 T C 1.743 176.393 174.700 -0.082 0.000 1.107 2706 T CA 1.174 63.181 62.100 -0.155 0.000 1.118 2706 T CB -0.058 68.620 68.868 -0.317 0.000 0.889 2706 T HN 0.423 nan 8.240 nan 0.000 0.506 2707 A N 1.469 124.418 122.820 0.216 0.000 1.924 2707 A HA 0.102 4.422 4.320 -0.000 0.000 0.211 2707 A C 2.143 179.912 177.584 0.307 0.000 1.198 2707 A CA 0.507 52.806 52.037 0.438 0.000 0.657 2707 A CB -0.170 19.134 19.000 0.507 0.000 0.852 2707 A HN 0.452 nan 8.150 nan 0.000 0.454 2708 E N -0.125 120.217 120.200 0.237 0.000 2.085 2708 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 2708 E C 1.961 178.546 176.600 -0.024 0.000 0.994 2708 E CA 1.721 58.192 56.400 0.118 0.000 0.801 2708 E CB -0.410 29.384 29.700 0.158 0.000 0.743 2708 E HN 0.570 nan 8.360 nan 0.000 0.453 2709 T N 1.140 115.629 114.554 -0.108 0.000 2.684 2709 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 2709 T C 1.540 175.998 174.700 -0.404 0.000 1.036 2709 T CA 1.257 63.116 62.100 -0.403 0.000 1.148 2709 T CB -0.430 68.151 68.868 -0.477 0.000 0.863 2709 T HN 0.174 nan 8.240 nan 0.000 0.436 2710 F N 2.194 122.058 119.950 -0.143 0.000 2.134 2710 F HA 0.027 4.554 4.527 -0.000 0.000 0.299 2710 F C 2.456 178.353 175.800 0.163 0.000 1.097 2710 F CA 0.969 59.074 58.000 0.175 0.000 1.264 2710 F CB -0.648 38.564 39.000 0.354 0.000 1.001 2710 F HN 0.139 nan 8.300 nan 0.000 0.479 2711 A N 0.326 123.220 122.820 0.123 0.000 1.933 2711 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 2711 A C 2.346 179.873 177.584 -0.096 0.000 1.175 2711 A CA 1.747 53.781 52.037 -0.005 0.000 0.628 2711 A CB -0.824 18.193 19.000 0.029 0.000 0.814 2711 A HN 0.475 nan 8.150 nan 0.000 0.444 2712 K N -1.174 119.148 120.400 -0.131 0.000 1.985 2712 K HA -0.197 4.122 4.320 -0.000 0.000 0.210 2712 K C 1.890 178.441 176.600 -0.081 0.000 1.047 2712 K CA 1.567 57.764 56.287 -0.150 0.000 0.932 2712 K CB -0.366 31.974 32.500 -0.268 0.000 0.716 2712 K HN 0.576 nan 8.250 nan 0.000 0.439 2713 W N 1.357 122.578 121.300 -0.132 0.000 2.285 2713 W HA -0.227 4.433 4.660 -0.000 0.000 0.333 2713 W C 1.906 178.316 176.519 -0.181 0.000 1.290 2713 W CA 1.111 58.365 57.345 -0.152 0.000 1.234 2713 W CB -1.119 28.239 29.460 -0.171 0.000 1.154 2713 W HN 0.127 nan 8.180 nan 0.000 0.463 2714 L N 1.069 122.268 121.223 -0.040 0.000 2.693 2714 L HA -0.032 4.308 4.340 -0.000 0.000 0.242 2714 L C 0.231 177.061 176.870 -0.067 0.000 1.157 2714 L CA 0.589 55.369 54.840 -0.101 0.000 0.929 2714 L CB -1.388 40.535 42.059 -0.226 0.000 1.103 2714 L HN 0.031 nan 8.230 nan 0.000 0.430 2715 D N 2.211 122.587 120.400 -0.040 0.000 2.803 2715 D HA -0.189 4.451 4.640 -0.000 0.000 0.233 2715 D C -0.449 175.829 176.300 -0.038 0.000 1.182 2715 D CA 0.529 54.511 54.000 -0.031 0.000 0.726 2715 D CB -0.367 40.424 40.800 -0.015 0.000 0.987 2715 D HN 0.296 nan 8.370 nan 0.000 0.412 2716 I N -1.204 119.336 120.570 -0.049 0.000 2.465 2716 I HA 0.480 4.650 4.170 -0.000 0.000 0.291 2716 I C 0.224 176.321 176.117 -0.033 0.000 1.014 2716 I CA -1.040 60.240 61.300 -0.033 0.000 1.093 2716 I CB 1.583 39.571 38.000 -0.022 0.000 1.267 2716 I HN 0.129 nan 8.210 nan 0.000 0.431 2717 E N 5.536 125.718 120.200 -0.029 0.000 2.159 2717 E HA 0.308 4.658 4.350 -0.000 0.000 0.272 2717 E C -1.207 175.358 176.600 -0.059 0.000 1.138 2717 E CA -0.219 56.158 56.400 -0.038 0.000 0.915 2717 E CB 0.684 30.368 29.700 -0.028 0.000 1.028 2717 E HN 0.565 nan 8.360 nan 0.000 0.423 2718 L N 4.045 125.210 121.223 -0.096 0.000 2.360 2718 L HA 0.410 4.750 4.340 -0.000 0.000 0.271 2718 L C -0.100 176.647 176.870 -0.205 0.000 1.057 2718 L CA -0.370 54.358 54.840 -0.188 0.000 0.803 2718 L CB 1.461 43.340 42.059 -0.299 0.000 1.207 2718 L HN 0.628 nan 8.230 nan 0.000 0.445 2719 E N 3.097 123.149 120.200 -0.247 0.000 2.542 2719 E HA 0.219 4.569 4.350 -0.000 0.000 0.298 2719 E C -1.378 175.155 176.600 -0.112 0.000 0.980 2719 E CA -0.556 55.764 56.400 -0.132 0.000 0.792 2719 E CB 0.839 30.509 29.700 -0.051 0.000 1.463 2719 E HN 0.247 nan 8.360 nan 0.000 0.389 2720 F N 2.119 122.080 119.950 0.018 0.000 2.535 2720 F HA 0.374 4.901 4.527 -0.000 0.000 0.332 2720 F C 1.282 177.088 175.800 0.009 0.000 1.208 2720 F CA 1.138 59.147 58.000 0.015 0.000 1.330 2720 F CB 0.651 39.658 39.000 0.013 0.000 1.167 2720 F HN 0.558 nan 8.300 nan 0.000 0.597 2721 E N 0.196 120.541 120.200 0.242 0.000 2.366 2721 E HA 0.594 4.944 4.350 -0.000 0.000 0.278 2721 E C -0.081 176.577 176.600 0.096 0.000 0.923 2721 E CA -0.734 55.741 56.400 0.124 0.000 0.761 2721 E CB 0.995 30.745 29.700 0.082 0.000 1.231 2721 E HN 1.489 nan 8.360 nan 0.000 0.443 2722 G N 0.201 109.035 108.800 0.057 0.000 2.698 2722 G HA2 0.319 4.279 3.960 -0.000 0.000 0.233 2722 G HA3 0.319 4.279 3.960 -0.000 0.000 0.233 2722 G C 0.355 175.262 174.900 0.012 0.000 1.352 2722 G CA 0.442 45.561 45.100 0.032 0.000 0.879 2722 G HN 2.159 nan 8.290 nan 0.000 0.567 2723 S N -1.108 114.586 115.700 -0.010 0.000 2.706 2723 S HA 0.854 5.324 4.470 -0.000 0.000 0.270 2723 S C -0.018 174.550 174.600 -0.052 0.000 1.163 2723 S CA 0.614 58.789 58.200 -0.042 0.000 1.042 2723 S CB 1.383 64.562 63.200 -0.035 0.000 1.079 2723 S HN 2.603 nan 8.310 nan 0.000 0.474 2724 G N 0.866 109.617 108.800 -0.083 0.000 2.606 2724 G HA2 0.592 4.552 3.960 -0.000 0.000 0.300 2724 G HA3 0.592 4.552 3.960 -0.000 0.000 0.300 2724 G C 0.185 175.020 174.900 -0.108 0.000 1.360 2724 G CA -0.185 44.869 45.100 -0.076 0.000 0.783 2724 G HN 1.101 nan 8.290 nan 0.000 0.484 2725 S N -2.320 113.328 115.700 -0.087 0.000 2.503 2725 S HA 0.549 5.019 4.470 -0.000 0.000 0.215 2725 S C 0.945 175.499 174.600 -0.076 0.000 1.003 2725 S CA 1.032 59.177 58.200 -0.092 0.000 0.910 2725 S CB -0.108 63.053 63.200 -0.066 0.000 0.790 2725 S HN 1.884 nan 8.310 nan 0.000 0.514 2726 V N 1.661 121.535 119.914 -0.066 0.000 2.769 2726 V HA 0.794 4.914 4.120 -0.000 0.000 0.312 2726 V C -0.085 175.968 176.094 -0.068 0.000 1.061 2726 V CA -1.408 60.862 62.300 -0.051 0.000 0.931 2726 V CB 2.074 33.852 31.823 -0.074 0.000 1.010 2726 V HN 0.145 nan 8.190 nan 0.000 0.433 2727 V N 3.837 123.736 119.914 -0.025 0.000 2.555 2727 V HA 0.304 4.424 4.120 -0.000 0.000 0.286 2727 V C 0.586 176.533 176.094 -0.245 0.000 1.044 2727 V CA 0.036 62.318 62.300 -0.029 0.000 1.026 2727 V CB 0.689 32.559 31.823 0.079 0.000 0.981 2727 V HN 1.021 nan 8.190 nan 0.000 0.480 2728 Q N 2.703 122.395 119.800 -0.181 0.000 2.149 2728 Q HA 0.363 4.703 4.340 -0.000 0.000 0.221 2728 Q C 0.076 176.123 176.000 0.078 0.000 0.807 2728 Q CA -0.088 55.579 55.803 -0.226 0.000 1.000 2728 Q CB 1.194 29.878 28.738 -0.089 0.000 1.157 2728 Q HN 0.746 nan 8.270 nan 0.000 0.487 2729 K N 1.349 121.775 120.400 0.043 0.000 2.572 2729 K HA 0.181 4.501 4.320 -0.000 0.000 0.263 2729 K C -1.940 174.670 176.600 0.016 0.000 0.932 2729 K CA -0.306 56.017 56.287 0.059 0.000 0.838 2729 K CB 1.670 34.203 32.500 0.055 0.000 1.366 2729 K HN 0.030 nan 8.250 nan 0.000 0.425 2730 Q N 1.715 121.512 119.800 -0.005 0.000 2.359 2730 Q HA 0.277 4.617 4.340 -0.000 0.000 0.274 2730 Q C -0.629 175.353 176.000 -0.031 0.000 1.074 2730 Q CA -0.730 55.052 55.803 -0.036 0.000 0.810 2730 Q CB 2.073 30.760 28.738 -0.085 0.000 1.342 2730 Q HN 0.676 nan 8.270 nan 0.000 0.427 2731 D N 0.574 120.957 120.400 -0.028 0.000 2.249 2731 D HA -0.003 4.637 4.640 -0.000 0.000 0.205 2731 D C 0.087 176.369 176.300 -0.029 0.000 0.962 2731 D CA 0.246 54.233 54.000 -0.022 0.000 0.860 2731 D CB 0.406 41.197 40.800 -0.015 0.000 0.955 2731 D HN 0.233 nan 8.370 nan 0.000 0.505 2732 V N 2.314 122.204 119.914 -0.039 0.000 2.364 2732 V HA 0.274 4.394 4.120 -0.000 0.000 0.272 2732 V C 0.450 176.505 176.094 -0.065 0.000 1.036 2732 V CA -0.995 61.280 62.300 -0.041 0.000 0.880 2732 V CB 0.782 32.587 31.823 -0.030 0.000 0.991 2732 V HN 0.228 nan 8.190 nan 0.000 0.460 2733 R N 2.683 123.142 120.500 -0.069 0.000 2.679 2733 R HA 0.362 4.702 4.340 -0.000 0.000 0.269 2733 R C -0.018 176.214 176.300 -0.114 0.000 1.076 2733 R CA -0.580 55.462 56.100 -0.097 0.000 1.160 2733 R CB -0.185 30.053 30.300 -0.104 0.000 1.054 2733 R HN 0.519 nan 8.270 nan 0.000 0.507 2734 T N 2.926 117.393 114.554 -0.146 0.000 2.905 2734 T HA -0.019 4.331 4.350 -0.000 0.000 0.299 2734 T C 0.590 175.214 174.700 -0.127 0.000 1.024 2734 T CA 0.352 62.359 62.100 -0.155 0.000 1.151 2734 T CB -0.039 68.719 68.868 -0.183 0.000 0.987 2734 T HN 0.846 nan 8.240 nan 0.000 0.535 2735 N N -0.583 118.057 118.700 -0.099 0.000 2.946 2735 N HA -0.153 4.587 4.740 -0.000 0.000 0.207 2735 N C 0.138 175.620 175.510 -0.047 0.000 0.906 2735 N CA 1.319 54.329 53.050 -0.068 0.000 1.035 2735 N CB -1.606 36.834 38.487 -0.078 0.000 0.998 2735 N HN 0.647 nan 8.380 nan 0.000 0.595 2736 T N 2.053 116.576 114.554 -0.051 0.000 2.905 2736 T HA 0.272 4.622 4.350 -0.000 0.000 0.299 2736 T C 0.902 175.596 174.700 -0.010 0.000 1.024 2736 T CA 0.629 62.709 62.100 -0.033 0.000 1.151 2736 T CB 0.528 69.375 68.868 -0.035 0.000 0.987 2736 T HN 0.438 nan 8.240 nan 0.000 0.535 2737 A N 4.339 127.156 122.820 -0.006 0.000 2.581 2737 A HA -0.026 4.294 4.320 -0.000 0.000 0.257 2737 A C 1.546 179.140 177.584 0.016 0.000 1.022 2737 A CA 0.058 52.099 52.037 0.006 0.000 0.812 2737 A CB -0.538 18.463 19.000 0.003 0.000 0.918 2737 A HN 1.048 nan 8.150 nan 0.000 0.516 2738 I N 2.799 123.387 120.570 0.031 0.000 2.233 2738 I HA -0.229 3.941 4.170 -0.000 0.000 0.243 2738 I C 2.418 178.554 176.117 0.033 0.000 1.093 2738 I CA 2.002 63.332 61.300 0.050 0.000 1.380 2738 I CB -0.218 37.832 38.000 0.083 0.000 1.067 2738 I HN 1.002 nan 8.210 nan 0.000 0.413 2739 K N 1.062 121.476 120.400 0.022 0.000 2.030 2739 K HA -0.332 3.988 4.320 -0.000 0.000 0.222 2739 K C 1.814 178.419 176.600 0.008 0.000 1.056 2739 K CA 2.633 58.927 56.287 0.012 0.000 0.957 2739 K CB -0.639 31.866 32.500 0.008 0.000 0.727 2739 K HN 0.348 nan 8.250 nan 0.000 0.452 2740 N N 0.618 119.322 118.700 0.007 0.000 2.166 2740 N HA -0.075 4.665 4.740 -0.000 0.000 0.186 2740 N C 0.152 175.665 175.510 0.005 0.000 1.019 2740 N CA 0.721 53.774 53.050 0.005 0.000 0.856 2740 N CB -0.428 38.061 38.487 0.003 0.000 0.993 2740 N HN 0.177 nan 8.380 nan 0.000 0.426 2741 I N 1.810 122.385 120.570 0.009 0.000 2.828 2741 I HA -0.093 4.077 4.170 -0.000 0.000 0.292 2741 I C 1.515 177.637 176.117 0.009 0.000 1.206 2741 I CA 0.602 61.909 61.300 0.011 0.000 1.420 2741 I CB 0.147 38.160 38.000 0.022 0.000 1.368 2741 I HN 0.150 nan 8.210 nan 0.000 0.556 2742 K N 5.657 126.059 120.400 0.003 0.000 2.435 2742 K HA 0.257 4.577 4.320 -0.000 0.000 0.199 2742 K C 0.856 177.452 176.600 -0.007 0.000 1.153 2742 K CA 0.333 56.618 56.287 -0.002 0.000 0.974 2742 K CB 0.277 32.775 32.500 -0.004 0.000 0.997 2742 K HN 0.582 nan 8.250 nan 0.000 0.547 2743 K N 0.400 120.795 120.400 -0.007 0.000 2.507 2743 K HA 0.651 4.971 4.320 -0.000 0.000 0.251 2743 K C -1.792 174.797 176.600 -0.018 0.000 0.943 2743 K CA -0.589 55.689 56.287 -0.016 0.000 0.794 2743 K CB 1.573 34.063 32.500 -0.017 0.000 1.188 2743 K HN 0.151 nan 8.250 nan 0.000 0.428 2744 I N 2.961 123.512 120.570 -0.031 0.000 2.498 2744 I HA 0.379 4.549 4.170 -0.000 0.000 0.290 2744 I C -0.572 175.502 176.117 -0.071 0.000 1.032 2744 I CA -0.688 60.590 61.300 -0.037 0.000 1.073 2744 I CB 1.947 39.936 38.000 -0.018 0.000 1.251 2744 I HN 0.683 nan 8.210 nan 0.000 0.426 2745 K N 7.568 127.936 120.400 -0.053 0.000 2.389 2745 K HA 0.700 5.020 4.320 -0.000 0.000 0.261 2745 K C -1.137 175.445 176.600 -0.030 0.000 1.014 2745 K CA -0.385 55.872 56.287 -0.049 0.000 0.920 2745 K CB 0.866 33.355 32.500 -0.019 0.000 1.149 2745 K HN 0.589 nan 8.250 nan 0.000 0.444 2746 L N 2.706 123.908 121.223 -0.035 0.000 2.275 2746 L HA 0.365 4.705 4.340 -0.000 0.000 0.288 2746 L C 0.246 177.198 176.870 0.137 0.000 1.046 2746 L CA -0.951 53.918 54.840 0.047 0.000 0.805 2746 L CB 1.883 43.990 42.059 0.080 0.000 1.193 2746 L HN 0.681 nan 8.230 nan 0.000 0.426 2747 T N 4.699 119.307 114.554 0.091 0.000 2.761 2747 T HA 0.379 4.729 4.350 -0.000 0.000 0.296 2747 T C 0.131 174.882 174.700 0.085 0.000 0.934 2747 T CA -0.252 61.898 62.100 0.083 0.000 1.091 2747 T CB 0.610 69.509 68.868 0.052 0.000 0.896 2747 T HN 0.295 nan 8.240 nan 0.000 0.515 2748 L N 2.718 123.990 121.223 0.081 0.000 2.343 2748 L HA 0.762 5.102 4.340 -0.000 0.000 0.275 2748 L C 0.734 177.598 176.870 -0.011 0.000 1.056 2748 L CA -0.367 54.488 54.840 0.024 0.000 0.804 2748 L CB 1.398 43.437 42.059 -0.034 0.000 1.203 2748 L HN 0.827 nan 8.230 nan 0.000 0.440 2749 G N 0.844 109.622 108.800 -0.038 0.000 2.732 2749 G HA2 0.410 4.370 3.960 -0.000 0.000 0.296 2749 G HA3 0.410 4.370 3.960 -0.000 0.000 0.296 2749 G C -1.656 173.216 174.900 -0.047 0.000 1.448 2749 G CA -0.422 44.657 45.100 -0.035 0.000 0.911 2749 G HN 0.642 nan 8.290 nan 0.000 0.528 2750 D N 0.000 120.380 120.400 -0.033 0.000 6.856 2750 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 2750 D CA 0.000 53.982 54.000 -0.029 0.000 0.868 2750 D CB 0.000 40.788 40.800 -0.020 0.000 0.688 2750 D HN 0.000 nan 8.370 nan 0.000 0.683