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 1s5l_1_c DATA FIRST_RESID 2036 DATA SEQUENCE WAGNARLINL SGKLLGAHVA HAGLIVFWAG AMTLFELAHF IPEKPMYEQG DATA SEQUENCE LILIPHIATL GWGVGPGGEV VDTFPFFVVG VVHLISSAVL GFGGVYHAIR DATA SEQUENCE GPETLEEYSS FFGYDWKDKN KMTTILGFHL IVLGIGALLL VAKAMFFGGL DATA SEQUENCE YDTWAPGGGD VRVITNPTLD PRVIFGYLLK SPFGGEGWIV SVNNLEDVVG DATA SEQUENCE GHIWIGLICI AGGIWHILTT PFGWARRAFI WSGEAYLSYS LGALSMMGFI DATA SEQUENCE ATCFVWFNNT VYPSEFYGPT GPEASQAQAM TFLIRDQKLG ANVGSAQGPT DATA SEQUENCE GLGKYLMRSP TGEIIFGGET MRFWDFRGPW LEPLRGPNGL DLNKIKNDIQ DATA SEQUENCE PWQERRAAEY MTHAPLGSLN SVGGVATEIN SVNFVSPRSW LATSHFVLAF DATA SEQUENCE FFLVGHLWHA GRARAAAAGF E 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 2036 W HA 0.000 nan 4.660 nan 0.000 0.303 2036 W C 0.000 176.520 176.519 0.002 0.000 1.175 2036 W CA 0.000 57.347 57.345 0.004 0.000 1.226 2036 W CB 0.000 29.462 29.460 0.004 0.000 1.126 2037 A N 0.394 123.273 122.820 0.098 0.000 2.236 2037 A HA 0.111 4.453 4.320 0.036 0.000 0.200 2037 A C 2.065 179.693 177.584 0.073 0.000 1.360 2037 A CA 1.800 53.870 52.037 0.054 0.000 0.924 2037 A CB -0.863 18.142 19.000 0.008 0.000 0.735 2037 A HN 0.756 nan 8.150 nan 0.000 0.531 2038 G N 1.117 109.989 108.800 0.121 0.000 2.679 2038 G HA2 -0.413 3.569 3.960 0.036 0.000 0.222 2038 G HA3 -0.413 3.569 3.960 0.036 0.000 0.222 2038 G C 1.270 176.197 174.900 0.045 0.000 1.164 2038 G CA 1.372 46.523 45.100 0.085 0.000 0.769 2038 G HN 0.799 nan 8.290 nan 0.000 0.610 2039 N N 0.955 119.678 118.700 0.039 0.000 2.573 2039 N HA 0.141 4.903 4.740 0.036 0.000 0.187 2039 N C 2.093 177.601 175.510 -0.003 0.000 1.107 2039 N CA 0.329 53.387 53.050 0.014 0.000 0.918 2039 N CB -0.049 38.445 38.487 0.013 0.000 0.966 2039 N HN 0.446 nan 8.380 nan 0.000 0.448 2040 A N 0.957 123.779 122.820 0.002 0.000 2.169 2040 A HA 0.084 4.425 4.320 0.036 0.000 0.210 2040 A C 1.959 179.544 177.584 0.002 0.000 1.168 2040 A CA -0.008 52.024 52.037 -0.008 0.000 0.813 2040 A CB 0.150 19.140 19.000 -0.017 0.000 0.861 2040 A HN 0.180 nan 8.150 nan 0.000 0.481 2041 R N -0.182 120.322 120.500 0.006 0.000 2.153 2041 R HA 0.110 4.471 4.340 0.036 0.000 0.218 2041 R C 1.343 177.635 176.300 -0.014 0.000 1.072 2041 R CA 0.932 57.033 56.100 0.002 0.000 0.990 2041 R CB -0.462 29.843 30.300 0.009 0.000 0.889 2041 R HN 0.415 nan 8.270 nan 0.000 0.452 2042 L N 1.736 122.946 121.223 -0.020 0.000 2.376 2042 L HA -0.074 4.288 4.340 0.036 0.000 0.219 2042 L C 2.352 179.184 176.870 -0.064 0.000 1.133 2042 L CA 0.591 55.401 54.840 -0.050 0.000 0.816 2042 L CB -0.726 41.302 42.059 -0.051 0.000 0.933 2042 L HN 0.219 nan 8.230 nan 0.000 0.449 2043 I N -1.518 119.052 120.570 -0.001 0.000 2.151 2043 I HA -0.422 3.770 4.170 0.036 0.000 0.236 2043 I C 2.029 178.109 176.117 -0.063 0.000 1.000 2043 I CA 2.211 63.577 61.300 0.110 0.000 1.285 2043 I CB -0.724 37.386 38.000 0.183 0.000 0.994 2043 I HN 0.309 nan 8.210 nan 0.000 0.396 2044 N N 1.149 119.778 118.700 -0.120 0.000 2.409 2044 N HA 0.122 4.884 4.740 0.036 0.000 0.179 2044 N C 0.984 176.258 175.510 -0.393 0.000 1.032 2044 N CA 0.716 53.557 53.050 -0.349 0.000 0.898 2044 N CB -0.128 38.286 38.487 -0.122 0.000 0.971 2044 N HN 0.450 nan 8.380 nan 0.000 0.441 2045 L N 1.495 122.564 121.223 -0.256 0.000 2.416 2045 L HA 0.138 4.500 4.340 0.036 0.000 0.243 2045 L C 1.563 178.281 176.870 -0.253 0.000 1.373 2045 L CA -0.186 54.522 54.840 -0.219 0.000 1.227 2045 L CB -0.223 41.752 42.059 -0.140 0.000 1.428 2045 L HN -0.015 nan 8.230 nan 0.000 0.425 2046 S N 1.765 117.253 115.700 -0.352 0.000 2.444 2046 S HA -0.192 4.300 4.470 0.036 0.000 0.244 2046 S C 2.021 176.495 174.600 -0.210 0.000 1.025 2046 S CA 1.628 59.631 58.200 -0.328 0.000 0.995 2046 S CB -0.037 62.936 63.200 -0.379 0.000 0.781 2046 S HN 0.847 nan 8.310 nan 0.000 0.496 2047 G N 0.367 109.066 108.800 -0.169 0.000 2.470 2047 G HA2 -0.137 3.845 3.960 0.036 0.000 0.220 2047 G HA3 -0.137 3.845 3.960 0.036 0.000 0.220 2047 G C 1.586 176.429 174.900 -0.094 0.000 1.121 2047 G CA 0.456 45.489 45.100 -0.112 0.000 0.766 2047 G HN 0.403 nan 8.290 nan 0.000 0.553 2048 K N -0.306 120.028 120.400 -0.110 0.000 2.276 2048 K HA 0.286 4.628 4.320 0.036 0.000 0.198 2048 K C 2.457 179.002 176.600 -0.092 0.000 1.052 2048 K CA -0.196 56.041 56.287 -0.083 0.000 0.984 2048 K CB -0.114 32.340 32.500 -0.078 0.000 0.836 2048 K HN 0.278 nan 8.250 nan 0.000 0.490 2049 L N 1.221 122.350 121.223 -0.156 0.000 1.989 2049 L HA -0.200 4.162 4.340 0.036 0.000 0.211 2049 L C 2.426 179.191 176.870 -0.176 0.000 1.071 2049 L CA 1.399 56.097 54.840 -0.237 0.000 0.749 2049 L CB -0.774 41.067 42.059 -0.363 0.000 0.890 2049 L HN 0.132 nan 8.230 nan 0.000 0.431 2050 L N -0.286 120.854 121.223 -0.138 0.000 2.089 2050 L HA -0.204 4.158 4.340 0.036 0.000 0.213 2050 L C 2.610 179.482 176.870 0.005 0.000 1.079 2050 L CA 1.467 56.263 54.840 -0.074 0.000 0.758 2050 L CB -1.295 40.659 42.059 -0.175 0.000 0.891 2050 L HN 0.375 nan 8.230 nan 0.000 0.433 2051 G N -0.748 108.062 108.800 0.018 0.000 2.422 2051 G HA2 -0.081 3.900 3.960 0.036 0.000 0.218 2051 G HA3 -0.081 3.900 3.960 0.036 0.000 0.218 2051 G C 1.695 176.653 174.900 0.095 0.000 1.140 2051 G CA 0.804 45.957 45.100 0.088 0.000 0.775 2051 G HN 0.482 nan 8.290 nan 0.000 0.545 2052 A N 0.114 122.976 122.820 0.070 0.000 1.862 2052 A HA 0.144 4.486 4.320 0.036 0.000 0.211 2052 A C 1.945 179.657 177.584 0.214 0.000 1.220 2052 A CA 1.178 53.283 52.037 0.114 0.000 0.616 2052 A CB -0.769 18.271 19.000 0.067 0.000 0.878 2052 A HN 0.432 nan 8.150 nan 0.000 0.453 2053 H N -0.630 118.472 119.070 0.053 0.000 2.394 2053 H HA -0.133 4.445 4.556 0.036 0.000 0.297 2053 H C 1.687 177.078 175.328 0.105 0.000 1.113 2053 H CA 1.368 57.455 56.048 0.064 0.000 1.277 2053 H CB 0.112 29.895 29.762 0.035 0.000 1.370 2053 H HN 0.295 nan 8.280 nan 0.000 0.506 2054 V N 0.173 120.218 119.914 0.218 0.000 3.573 2054 V HA -0.006 4.135 4.120 0.036 0.000 0.270 2054 V C 2.033 178.228 176.094 0.169 0.000 1.221 2054 V CA 0.905 63.308 62.300 0.172 0.000 1.163 2054 V CB 0.066 31.981 31.823 0.154 0.000 0.847 2054 V HN 0.452 nan 8.190 nan 0.000 0.468 2055 A N -0.712 122.214 122.820 0.177 0.000 1.973 2055 A HA -0.042 4.300 4.320 0.036 0.000 0.210 2055 A C 2.170 179.845 177.584 0.151 0.000 1.200 2055 A CA 0.764 52.892 52.037 0.151 0.000 0.707 2055 A CB -0.517 18.564 19.000 0.136 0.000 0.862 2055 A HN 0.560 nan 8.150 nan 0.000 0.461 2056 H N 0.078 119.202 119.070 0.090 0.000 2.535 2056 H HA 0.255 4.832 4.556 0.036 0.000 0.273 2056 H C 1.813 177.186 175.328 0.074 0.000 0.983 2056 H CA 1.087 57.180 56.048 0.076 0.000 1.238 2056 H CB 0.061 29.864 29.762 0.068 0.000 1.412 2056 H HN 0.367 nan 8.280 nan 0.000 0.562 2057 A N 0.088 123.022 122.820 0.189 0.000 2.167 2057 A HA 0.070 4.411 4.320 0.036 0.000 0.214 2057 A C 2.515 180.156 177.584 0.095 0.000 1.151 2057 A CA 0.926 53.045 52.037 0.137 0.000 0.735 2057 A CB -0.639 18.442 19.000 0.135 0.000 0.802 2057 A HN 0.501 nan 8.150 nan 0.000 0.467 2058 G N -0.666 108.187 108.800 0.088 0.000 2.603 2058 G HA2 0.108 4.089 3.960 0.036 0.000 0.214 2058 G HA3 0.108 4.089 3.960 0.036 0.000 0.214 2058 G C 1.410 176.378 174.900 0.112 0.000 1.140 2058 G CA 0.477 45.637 45.100 0.101 0.000 0.800 2058 G HN 0.400 nan 8.290 nan 0.000 0.533 2059 L N 0.254 121.496 121.223 0.032 0.000 2.095 2059 L HA 0.114 4.476 4.340 0.036 0.000 0.204 2059 L C 2.731 179.675 176.870 0.124 0.000 1.080 2059 L CA 0.486 55.364 54.840 0.064 0.000 0.759 2059 L CB -0.345 41.645 42.059 -0.116 0.000 0.914 2059 L HN 0.126 nan 8.230 nan 0.000 0.439 2060 I N -0.371 120.189 120.570 -0.017 0.000 2.194 2060 I HA -0.309 3.883 4.170 0.036 0.000 0.246 2060 I C 2.346 178.570 176.117 0.179 0.000 1.093 2060 I CA 1.369 62.688 61.300 0.031 0.000 1.355 2060 I CB -0.338 37.669 38.000 0.013 0.000 1.046 2060 I HN 0.078 nan 8.210 nan 0.000 0.413 2061 V N 0.081 120.115 119.914 0.199 0.000 2.591 2061 V HA -0.228 3.914 4.120 0.036 0.000 0.249 2061 V C 2.168 178.415 176.094 0.255 0.000 1.053 2061 V CA 1.289 63.744 62.300 0.258 0.000 1.068 2061 V CB -0.714 31.224 31.823 0.191 0.000 0.689 2061 V HN 0.339 nan 8.190 nan 0.000 0.462 2062 F N 0.449 120.474 119.950 0.125 0.000 2.095 2062 F HA -0.239 4.309 4.527 0.036 0.000 0.298 2062 F C 2.161 178.030 175.800 0.114 0.000 1.104 2062 F CA 1.857 59.913 58.000 0.094 0.000 1.232 2062 F CB -0.538 38.500 39.000 0.063 0.000 0.987 2062 F HN 0.293 nan 8.300 nan 0.000 0.475 2063 W N 1.241 122.481 121.300 -0.100 0.000 2.342 2063 W HA -0.211 4.472 4.660 0.038 0.000 0.297 2063 W C 2.299 178.673 176.519 -0.242 0.000 1.213 2063 W CA 2.597 59.817 57.345 -0.208 0.000 1.251 2063 W CB -0.601 28.817 29.460 -0.069 0.000 1.136 2063 W HN 0.111 nan 8.180 nan 0.000 0.526 2064 A N 0.380 123.282 122.820 0.138 0.000 2.024 2064 A HA -0.057 4.285 4.320 0.036 0.000 0.220 2064 A C 2.137 179.547 177.584 -0.289 0.000 1.164 2064 A CA 2.001 53.996 52.037 -0.071 0.000 0.643 2064 A CB -1.442 17.541 19.000 -0.028 0.000 0.806 2064 A HN 0.459 nan 8.150 nan 0.000 0.451 2065 G N -1.290 107.347 108.800 -0.272 0.000 2.486 2065 G HA2 0.230 4.211 3.960 0.036 0.000 0.210 2065 G HA3 0.230 4.211 3.960 0.036 0.000 0.210 2065 G C 1.717 176.364 174.900 -0.422 0.000 1.168 2065 G CA 0.889 45.817 45.100 -0.286 0.000 0.820 2065 G HN 0.706 nan 8.290 nan 0.000 0.544 2066 A N 0.496 122.923 122.820 -0.656 0.000 1.940 2066 A HA -0.015 4.326 4.320 0.036 0.000 0.219 2066 A C 2.357 179.625 177.584 -0.526 0.000 1.176 2066 A CA 1.899 53.551 52.037 -0.642 0.000 0.631 2066 A CB -0.298 18.159 19.000 -0.906 0.000 0.814 2066 A HN 0.316 nan 8.150 nan 0.000 0.446 2067 M N -1.187 117.952 119.600 -0.768 0.000 2.287 2067 M HA -0.025 4.477 4.480 0.036 0.000 0.266 2067 M C 2.129 178.175 176.300 -0.423 0.000 1.079 2067 M CA 1.643 56.511 55.300 -0.721 0.000 1.146 2067 M CB -1.528 30.217 32.600 -1.425 0.000 1.374 2067 M HN 0.415 nan 8.290 nan 0.000 0.435 2068 T N 1.486 115.788 114.554 -0.419 0.000 2.788 2068 T HA -0.052 4.320 4.350 0.036 0.000 0.268 2068 T C 1.928 176.555 174.700 -0.121 0.000 1.044 2068 T CA 1.038 62.980 62.100 -0.263 0.000 1.139 2068 T CB -0.186 68.543 68.868 -0.230 0.000 0.867 2068 T HN 0.304 nan 8.240 nan 0.000 0.454 2069 L N -0.505 120.662 121.223 -0.095 0.000 2.179 2069 L HA 0.119 4.480 4.340 0.036 0.000 0.208 2069 L C 2.187 179.122 176.870 0.108 0.000 1.096 2069 L CA 0.716 55.578 54.840 0.036 0.000 0.779 2069 L CB -0.482 41.587 42.059 0.016 0.000 0.922 2069 L HN 0.170 nan 8.230 nan 0.000 0.443 2070 F N 1.290 121.174 119.950 -0.111 0.000 2.186 2070 F HA -0.138 4.411 4.527 0.036 0.000 0.299 2070 F C 2.324 178.126 175.800 0.003 0.000 1.090 2070 F CA 1.355 59.322 58.000 -0.055 0.000 1.307 2070 F CB -0.068 38.827 39.000 -0.176 0.000 1.019 2070 F HN 0.066 nan 8.300 nan 0.000 0.489 2071 E N -0.048 120.118 120.200 -0.056 0.000 2.006 2071 E HA -0.227 4.144 4.350 0.036 0.000 0.192 2071 E C 2.037 178.626 176.600 -0.018 0.000 0.993 2071 E CA 1.331 57.648 56.400 -0.138 0.000 0.808 2071 E CB -0.724 28.843 29.700 -0.221 0.000 0.764 2071 E HN 0.300 nan 8.360 nan 0.000 0.449 2072 L N 0.902 122.153 121.223 0.046 0.000 2.556 2072 L HA -0.154 4.208 4.340 0.036 0.000 0.230 2072 L C 1.770 178.741 176.870 0.168 0.000 1.163 2072 L CA 1.166 56.140 54.840 0.222 0.000 0.819 2072 L CB -0.324 41.907 42.059 0.286 0.000 0.939 2072 L HN 0.069 nan 8.230 nan 0.000 0.452 2073 A N -1.389 121.478 122.820 0.079 0.000 1.843 2073 A HA -0.117 4.225 4.320 0.036 0.000 0.213 2073 A C 2.180 179.710 177.584 -0.089 0.000 1.239 2073 A CA 1.261 53.298 52.037 -0.000 0.000 0.606 2073 A CB -0.841 18.168 19.000 0.015 0.000 0.903 2073 A HN 0.578 nan 8.150 nan 0.000 0.455 2074 H N -2.306 116.629 119.070 -0.225 0.000 2.457 2074 H HA -0.021 4.557 4.556 0.037 0.000 0.294 2074 H C 0.269 175.574 175.328 -0.038 0.000 1.064 2074 H CA 0.483 56.418 56.048 -0.188 0.000 1.330 2074 H CB -0.253 29.306 29.762 -0.339 0.000 1.395 2074 H HN 0.414 nan 8.280 nan 0.000 0.541 2075 F N 2.316 122.232 119.950 -0.056 0.000 2.623 2075 F HA -0.004 4.545 4.527 0.037 0.000 0.386 2075 F C 0.064 175.835 175.800 -0.048 0.000 1.068 2075 F CA -0.114 57.853 58.000 -0.056 0.000 1.265 2075 F CB -0.144 38.827 39.000 -0.048 0.000 1.026 2075 F HN -0.080 nan 8.300 nan 0.000 0.568 2076 I N 8.391 128.739 120.570 -0.370 0.000 2.433 2076 I HA 0.297 4.489 4.170 0.036 0.000 0.292 2076 I C -2.232 173.406 176.117 -0.798 0.000 1.001 2076 I CA -2.204 58.801 61.300 -0.491 0.000 1.119 2076 I CB 2.062 39.937 38.000 -0.208 0.000 1.289 2076 I HN 0.418 nan 8.210 nan 0.000 0.438 2077 P HA 0.096 nan 4.420 nan 0.000 0.275 2077 P C -0.360 176.799 177.300 -0.235 0.000 1.227 2077 P CA 0.302 63.090 63.100 -0.519 0.000 0.781 2077 P CB 0.787 32.277 31.700 -0.350 0.000 0.906 2078 E N -1.367 118.758 120.200 -0.125 0.000 3.181 2078 E HA -0.202 4.170 4.350 0.036 0.000 0.293 2078 E C -0.044 176.534 176.600 -0.038 0.000 0.936 2078 E CA 1.052 57.423 56.400 -0.049 0.000 0.975 2078 E CB -1.872 27.800 29.700 -0.047 0.000 1.496 2078 E HN 0.647 nan 8.360 nan 0.000 0.429 2079 K N 0.957 121.332 120.400 -0.042 0.000 2.394 2079 K HA 0.411 4.753 4.320 0.036 0.000 0.260 2079 K C -2.744 173.818 176.600 -0.063 0.000 0.967 2079 K CA -2.142 54.118 56.287 -0.045 0.000 0.855 2079 K CB 1.318 33.791 32.500 -0.045 0.000 1.101 2079 K HN -0.348 nan 8.250 nan 0.000 0.433 2080 P HA -0.180 nan 4.420 nan 0.000 0.252 2080 P C 0.598 177.617 177.300 -0.470 0.000 1.126 2080 P CA 0.718 63.558 63.100 -0.435 0.000 0.777 2080 P CB 0.233 31.483 31.700 -0.751 0.000 0.711 2081 M N 3.366 122.820 119.600 -0.242 0.000 2.270 2081 M HA -0.303 4.198 4.480 0.036 0.000 0.254 2081 M C 1.834 178.048 176.300 -0.143 0.000 1.072 2081 M CA 2.387 57.610 55.300 -0.128 0.000 1.077 2081 M CB -1.223 31.322 32.600 -0.091 0.000 1.288 2081 M HN 0.471 nan 8.290 nan 0.000 0.424 2082 Y N -0.159 120.199 120.300 0.097 0.000 2.574 2082 Y HA -0.019 4.553 4.550 0.037 0.000 0.294 2082 Y C 1.845 177.801 175.900 0.094 0.000 1.142 2082 Y CA 1.156 59.310 58.100 0.091 0.000 1.314 2082 Y CB -1.153 37.388 38.460 0.135 0.000 0.991 2082 Y HN 0.360 nan 8.280 nan 0.000 0.555 2083 E N 0.155 120.252 120.200 -0.173 0.000 2.502 2083 E HA -0.068 4.304 4.350 0.036 0.000 0.194 2083 E C 1.527 178.168 176.600 0.068 0.000 1.062 2083 E CA 0.385 56.830 56.400 0.076 0.000 0.867 2083 E CB 0.136 29.777 29.700 -0.099 0.000 0.888 2083 E HN 0.735 nan 8.360 nan 0.000 0.510 2084 Q N -1.028 118.783 119.800 0.019 0.000 2.389 2084 Q HA 0.270 4.632 4.340 0.036 0.000 0.198 2084 Q C 0.463 176.466 176.000 0.005 0.000 0.967 2084 Q CA 0.604 56.422 55.803 0.025 0.000 0.863 2084 Q CB 1.102 29.861 28.738 0.036 0.000 0.987 2084 Q HN 0.200 nan 8.270 nan 0.000 0.557 2085 G N 0.882 109.673 108.800 -0.016 0.000 2.491 2085 G HA2 0.062 4.043 3.960 0.036 0.000 0.232 2085 G HA3 0.062 4.043 3.960 0.036 0.000 0.232 2085 G C -0.871 173.979 174.900 -0.082 0.000 1.609 2085 G CA -0.619 44.451 45.100 -0.049 0.000 0.880 2085 G HN 0.013 nan 8.290 nan 0.000 0.515 2086 L N -0.307 120.878 121.223 -0.063 0.000 2.313 2086 L HA 0.733 5.094 4.340 0.036 0.000 0.268 2086 L C 1.119 177.969 176.870 -0.034 0.000 1.010 2086 L CA -1.262 53.516 54.840 -0.104 0.000 0.814 2086 L CB 1.781 43.714 42.059 -0.209 0.000 1.304 2086 L HN 0.159 nan 8.230 nan 0.000 0.441 2087 I N -0.845 119.701 120.570 -0.040 0.000 4.547 2087 I HA 0.019 4.211 4.170 0.036 0.000 0.303 2087 I C 1.522 177.701 176.117 0.103 0.000 1.188 2087 I CA 0.145 61.477 61.300 0.054 0.000 1.320 2087 I CB 0.463 38.496 38.000 0.056 0.000 1.495 2087 I HN 0.501 nan 8.210 nan 0.000 0.462 2088 L N 1.308 122.507 121.223 -0.040 0.000 2.049 2088 L HA -0.008 4.354 4.340 0.036 0.000 0.203 2088 L C 2.502 179.321 176.870 -0.085 0.000 1.074 2088 L CA 1.253 56.044 54.840 -0.082 0.000 0.749 2088 L CB -0.424 41.525 42.059 -0.183 0.000 0.907 2088 L HN 0.140 nan 8.230 nan 0.000 0.439 2089 I N 0.361 120.747 120.570 -0.306 0.000 2.091 2089 I HA -0.292 3.899 4.170 0.036 0.000 0.240 2089 I C -0.281 175.639 176.117 -0.328 0.000 1.046 2089 I CA 1.864 62.797 61.300 -0.612 0.000 1.306 2089 I CB -1.951 35.474 38.000 -0.959 0.000 1.018 2089 I HN 0.179 nan 8.210 nan 0.000 0.404 2090 P HA -0.200 nan 4.420 nan 0.000 0.217 2090 P C 1.332 178.685 177.300 0.089 0.000 1.148 2090 P CA 1.762 64.870 63.100 0.013 0.000 0.834 2090 P CB -0.113 31.720 31.700 0.222 0.000 0.783 2091 H N -1.573 117.535 119.070 0.063 0.000 2.357 2091 H HA 0.005 4.583 4.556 0.036 0.000 0.301 2091 H C 1.889 177.279 175.328 0.103 0.000 1.082 2091 H CA 1.116 57.232 56.048 0.113 0.000 1.342 2091 H CB -0.915 28.904 29.762 0.094 0.000 1.389 2091 H HN 0.112 nan 8.280 nan 0.000 0.511 2092 I N -0.157 120.522 120.570 0.181 0.000 2.361 2092 I HA -0.214 3.978 4.170 0.036 0.000 0.251 2092 I C 2.344 178.661 176.117 0.334 0.000 1.133 2092 I CA 1.065 62.502 61.300 0.228 0.000 1.413 2092 I CB -0.204 37.945 38.000 0.249 0.000 1.073 2092 I HN 0.271 nan 8.210 nan 0.000 0.424 2093 A N -0.177 122.775 122.820 0.220 0.000 2.072 2093 A HA -0.055 4.286 4.320 0.036 0.000 0.216 2093 A C 2.297 180.092 177.584 0.351 0.000 1.156 2093 A CA 1.224 53.378 52.037 0.195 0.000 0.701 2093 A CB -0.619 18.215 19.000 -0.277 0.000 0.816 2093 A HN 0.287 nan 8.150 nan 0.000 0.458 2094 T N 0.527 115.266 114.554 0.309 0.000 2.777 2094 T HA -0.036 4.336 4.350 0.036 0.000 0.266 2094 T C 1.409 176.285 174.700 0.294 0.000 1.040 2094 T CA 1.081 63.332 62.100 0.252 0.000 1.141 2094 T CB -0.344 68.569 68.868 0.075 0.000 0.868 2094 T HN 0.371 nan 8.240 nan 0.000 0.444 2095 L N 1.109 122.491 121.223 0.265 0.000 2.711 2095 L HA 0.158 4.519 4.340 0.036 0.000 0.242 2095 L C 1.585 178.668 176.870 0.356 0.000 1.153 2095 L CA 0.012 55.006 54.840 0.256 0.000 0.898 2095 L CB -1.035 41.132 42.059 0.180 0.000 1.044 2095 L HN 0.416 nan 8.230 nan 0.000 0.437 2096 G N -0.467 108.577 108.800 0.407 0.000 2.390 2096 G HA2 -0.290 3.691 3.960 0.036 0.000 0.299 2096 G HA3 -0.290 3.691 3.960 0.036 0.000 0.299 2096 G C 0.734 175.891 174.900 0.429 0.000 1.002 2096 G CA 0.508 45.867 45.100 0.432 0.000 0.979 2096 G HN 0.717 nan 8.290 nan 0.000 0.513 2097 W N -0.241 121.169 121.300 0.183 0.000 2.453 2097 W HA 0.201 4.883 4.660 0.036 0.000 0.289 2097 W C 1.154 177.730 176.519 0.095 0.000 1.215 2097 W CA 0.810 58.242 57.345 0.144 0.000 1.297 2097 W CB 0.486 30.041 29.460 0.157 0.000 1.113 2097 W HN 0.614 nan 8.180 nan 0.000 0.551 2098 G N 1.405 110.262 108.800 0.095 0.000 3.881 2098 G HA2 0.449 4.430 3.960 0.036 0.000 0.319 2098 G HA3 0.449 4.430 3.960 0.036 0.000 0.319 2098 G C -2.018 172.867 174.900 -0.025 0.000 1.472 2098 G CA -0.266 44.763 45.100 -0.119 0.000 0.851 2098 G HN -0.098 nan 8.290 nan 0.000 0.495 2099 V N -0.157 119.779 119.914 0.038 0.000 3.204 2099 V HA 0.873 5.015 4.120 0.036 0.000 0.298 2099 V C 0.511 176.685 176.094 0.132 0.000 1.328 2099 V CA -0.335 62.010 62.300 0.076 0.000 1.035 2099 V CB 1.963 33.839 31.823 0.089 0.000 1.095 2099 V HN 0.721 nan 8.190 nan 0.000 0.442 2100 G N 0.888 109.764 108.800 0.128 0.000 2.601 2100 G HA2 0.720 4.702 3.960 0.036 0.000 0.317 2100 G HA3 0.720 4.702 3.960 0.036 0.000 0.317 2100 G C -2.794 172.230 174.900 0.207 0.000 1.246 2100 G CA -1.782 43.393 45.100 0.126 0.000 1.012 2100 G HN 0.546 nan 8.290 nan 0.000 0.494 2101 P HA -0.005 nan 4.420 nan 0.000 0.251 2101 P C 0.964 178.409 177.300 0.242 0.000 1.154 2101 P CA 1.304 64.504 63.100 0.166 0.000 0.805 2101 P CB 0.024 31.759 31.700 0.059 0.000 0.759 2102 G N 3.284 112.361 108.800 0.462 0.000 2.467 2102 G HA2 -0.194 3.788 3.960 0.036 0.000 0.302 2102 G HA3 -0.194 3.788 3.960 0.036 0.000 0.302 2102 G C 0.577 175.633 174.900 0.259 0.000 0.930 2102 G CA 0.119 45.489 45.100 0.449 0.000 1.008 2102 G HN 0.892 nan 8.290 nan 0.000 0.512 2103 G N -0.845 108.068 108.800 0.188 0.000 2.468 2103 G HA2 0.594 4.576 3.960 0.036 0.000 0.315 2103 G HA3 0.594 4.576 3.960 0.036 0.000 0.315 2103 G C 0.577 175.501 174.900 0.040 0.000 1.203 2103 G CA 0.668 45.828 45.100 0.101 0.000 0.962 2103 G HN 0.451 nan 8.290 nan 0.000 0.476 2104 E N 1.458 121.672 120.200 0.023 0.000 2.831 2104 E HA -0.320 4.052 4.350 0.036 0.000 0.227 2104 E C -0.120 176.476 176.600 -0.007 0.000 0.895 2104 E CA 2.549 58.947 56.400 -0.002 0.000 1.313 2104 E CB -0.251 29.490 29.700 0.069 0.000 1.338 2104 E HN 0.432 nan 8.360 nan 0.000 0.485 2105 V N -0.566 119.380 119.914 0.053 0.000 2.882 2105 V HA 0.114 4.256 4.120 0.036 0.000 0.295 2105 V C 0.797 176.893 176.094 0.003 0.000 1.273 2105 V CA -0.305 62.020 62.300 0.042 0.000 0.949 2105 V CB 1.736 33.646 31.823 0.145 0.000 1.071 2105 V HN 0.283 nan 8.190 nan 0.000 0.432 2106 V N 0.161 120.058 119.914 -0.027 0.000 2.575 2106 V HA 0.119 4.261 4.120 0.036 0.000 0.242 2106 V C 0.696 176.750 176.094 -0.066 0.000 1.045 2106 V CA 1.330 63.606 62.300 -0.039 0.000 1.065 2106 V CB 0.038 31.840 31.823 -0.035 0.000 0.717 2106 V HN 0.950 nan 8.190 nan 0.000 0.467 2107 D N -0.056 120.283 120.400 -0.102 0.000 2.329 2107 D HA 0.219 4.880 4.640 0.036 0.000 0.232 2107 D C 0.908 177.104 176.300 -0.174 0.000 1.088 2107 D CA 0.135 54.059 54.000 -0.126 0.000 0.835 2107 D CB 2.104 42.812 40.800 -0.154 0.000 1.078 2107 D HN 0.067 nan 8.370 nan 0.000 0.495 2108 T N 3.282 117.779 114.554 -0.095 0.000 2.614 2108 T HA -0.166 4.206 4.350 0.036 0.000 0.263 2108 T C 1.716 176.349 174.700 -0.112 0.000 1.055 2108 T CA 0.656 62.719 62.100 -0.062 0.000 1.162 2108 T CB -0.472 68.412 68.868 0.027 0.000 0.863 2108 T HN 0.448 nan 8.240 nan 0.000 0.414 2109 F N 2.584 122.441 119.950 -0.154 0.000 2.060 2109 F HA -0.216 4.333 4.527 0.037 0.000 0.293 2109 F C -0.879 174.907 175.800 -0.024 0.000 1.096 2109 F CA 1.854 59.824 58.000 -0.050 0.000 1.241 2109 F CB -1.703 37.275 39.000 -0.036 0.000 0.959 2109 F HN 0.186 nan 8.300 nan 0.000 0.499 2110 P HA -0.276 nan 4.420 nan 0.000 0.224 2110 P C 1.515 178.927 177.300 0.187 0.000 1.154 2110 P CA 2.148 65.241 63.100 -0.012 0.000 0.868 2110 P CB -0.365 31.156 31.700 -0.297 0.000 0.782 2111 F N -3.364 116.665 119.950 0.131 0.000 2.219 2111 F HA 0.048 4.597 4.527 0.037 0.000 0.294 2111 F C 2.177 177.988 175.800 0.017 0.000 1.086 2111 F CA -0.003 58.043 58.000 0.077 0.000 1.330 2111 F CB -1.752 37.291 39.000 0.073 0.000 1.047 2111 F HN -0.144 nan 8.300 nan 0.000 0.495 2112 F N 0.760 120.689 119.950 -0.035 0.000 2.161 2112 F HA -0.167 4.382 4.527 0.036 0.000 0.300 2112 F C 2.287 177.957 175.800 -0.216 0.000 1.089 2112 F CA 0.895 58.790 58.000 -0.176 0.000 1.282 2112 F CB -0.615 38.174 39.000 -0.351 0.000 1.010 2112 F HN -0.217 nan 8.300 nan 0.000 0.485 2113 V N -0.480 119.264 119.914 -0.283 0.000 2.255 2113 V HA -0.341 3.801 4.120 0.036 0.000 0.247 2113 V C 2.363 178.390 176.094 -0.111 0.000 1.051 2113 V CA 1.951 64.134 62.300 -0.195 0.000 1.018 2113 V CB -0.868 30.954 31.823 -0.001 0.000 0.641 2113 V HN 0.225 nan 8.190 nan 0.000 0.445 2114 V N 0.736 120.641 119.914 -0.015 0.000 2.358 2114 V HA -0.128 4.014 4.120 0.036 0.000 0.246 2114 V C 2.649 178.725 176.094 -0.030 0.000 1.047 2114 V CA 1.960 64.278 62.300 0.030 0.000 1.035 2114 V CB -1.582 30.251 31.823 0.018 0.000 0.658 2114 V HN 0.595 nan 8.190 nan 0.000 0.452 2115 G N 0.163 108.882 108.800 -0.136 0.000 2.440 2115 G HA2 -0.203 3.779 3.960 0.036 0.000 0.218 2115 G HA3 -0.203 3.779 3.960 0.036 0.000 0.218 2115 G C 1.608 176.365 174.900 -0.239 0.000 1.154 2115 G CA 1.392 46.371 45.100 -0.201 0.000 0.767 2115 G HN 0.373 nan 8.290 nan 0.000 0.552 2116 V N 0.332 120.027 119.914 -0.365 0.000 2.221 2116 V HA -0.169 3.972 4.120 0.036 0.000 0.242 2116 V C 2.913 178.925 176.094 -0.137 0.000 1.041 2116 V CA 1.501 63.610 62.300 -0.318 0.000 0.995 2116 V CB -0.828 30.738 31.823 -0.428 0.000 0.635 2116 V HN 0.224 nan 8.190 nan 0.000 0.448 2117 V N -0.013 119.842 119.914 -0.099 0.000 2.226 2117 V HA -0.409 3.732 4.120 0.036 0.000 0.254 2117 V C 2.366 178.400 176.094 -0.099 0.000 1.065 2117 V CA 2.856 65.110 62.300 -0.077 0.000 1.039 2117 V CB -0.989 30.794 31.823 -0.066 0.000 0.653 2117 V HN 0.679 nan 8.190 nan 0.000 0.450 2118 H N -1.201 117.831 119.070 -0.063 0.000 2.422 2118 H HA -0.137 4.441 4.556 0.036 0.000 0.298 2118 H C 1.762 177.074 175.328 -0.026 0.000 1.098 2118 H CA 1.652 57.679 56.048 -0.034 0.000 1.315 2118 H CB -0.284 29.452 29.762 -0.045 0.000 1.382 2118 H HN 0.322 nan 8.280 nan 0.000 0.523 2119 L N 0.140 121.376 121.223 0.021 0.000 2.201 2119 L HA -0.029 4.333 4.340 0.036 0.000 0.212 2119 L C 1.631 178.551 176.870 0.083 0.000 1.105 2119 L CA 1.385 56.233 54.840 0.013 0.000 0.775 2119 L CB -0.256 41.766 42.059 -0.062 0.000 0.913 2119 L HN 0.280 nan 8.230 nan 0.000 0.440 2120 I N -1.758 118.833 120.570 0.035 0.000 2.867 2120 I HA -0.078 4.113 4.170 0.036 0.000 0.265 2120 I C 2.009 178.157 176.117 0.051 0.000 1.162 2120 I CA 0.614 61.941 61.300 0.046 0.000 1.471 2120 I CB -0.244 37.767 38.000 0.018 0.000 1.123 2120 I HN 0.068 nan 8.210 nan 0.000 0.440 2121 S N 0.747 116.457 115.700 0.016 0.000 2.469 2121 S HA -0.149 4.343 4.470 0.036 0.000 0.238 2121 S C 2.128 176.772 174.600 0.073 0.000 0.998 2121 S CA 1.413 59.618 58.200 0.009 0.000 0.957 2121 S CB -0.391 62.758 63.200 -0.085 0.000 0.764 2121 S HN 0.625 nan 8.310 nan 0.000 0.514 2122 S N 1.712 117.485 115.700 0.122 0.000 2.428 2122 S HA 0.183 4.675 4.470 0.036 0.000 0.230 2122 S C 1.813 176.493 174.600 0.134 0.000 1.014 2122 S CA 0.528 58.834 58.200 0.177 0.000 0.957 2122 S CB -0.250 63.153 63.200 0.340 0.000 0.784 2122 S HN 0.512 nan 8.310 nan 0.000 0.499 2123 A N 1.302 124.195 122.820 0.121 0.000 1.924 2123 A HA 0.342 4.683 4.320 0.036 0.000 0.211 2123 A C 2.263 179.942 177.584 0.159 0.000 1.198 2123 A CA 0.846 52.949 52.037 0.109 0.000 0.657 2123 A CB -0.852 18.201 19.000 0.088 0.000 0.852 2123 A HN 0.412 nan 8.150 nan 0.000 0.454 2124 V N 0.618 120.615 119.914 0.137 0.000 2.439 2124 V HA -0.285 3.857 4.120 0.036 0.000 0.253 2124 V C 2.320 178.505 176.094 0.153 0.000 1.074 2124 V CA 2.111 64.492 62.300 0.136 0.000 1.076 2124 V CB -0.815 31.054 31.823 0.076 0.000 0.664 2124 V HN 0.556 nan 8.190 nan 0.000 0.461 2125 L N -0.482 120.829 121.223 0.147 0.000 2.357 2125 L HA 0.243 4.605 4.340 0.036 0.000 0.211 2125 L C 2.633 179.612 176.870 0.182 0.000 1.075 2125 L CA 0.949 55.882 54.840 0.155 0.000 0.830 2125 L CB -1.040 41.095 42.059 0.126 0.000 0.996 2125 L HN 0.392 nan 8.230 nan 0.000 0.467 2126 G N 0.256 109.151 108.800 0.159 0.000 2.440 2126 G HA2 -0.305 3.677 3.960 0.036 0.000 0.218 2126 G HA3 -0.305 3.677 3.960 0.036 0.000 0.218 2126 G C 1.573 176.597 174.900 0.207 0.000 1.154 2126 G CA 0.596 45.774 45.100 0.129 0.000 0.767 2126 G HN 0.264 nan 8.290 nan 0.000 0.552 2127 F N 1.665 121.651 119.950 0.060 0.000 2.046 2127 F HA -0.088 4.461 4.527 0.036 0.000 0.297 2127 F C 2.816 178.688 175.800 0.119 0.000 1.123 2127 F CA 1.118 59.155 58.000 0.062 0.000 1.199 2127 F CB -0.118 38.901 39.000 0.032 0.000 0.972 2127 F HN 0.225 nan 8.300 nan 0.000 0.474 2128 G N -0.466 108.550 108.800 0.360 0.000 2.446 2128 G HA2 -0.268 3.713 3.960 0.036 0.000 0.217 2128 G HA3 -0.268 3.713 3.960 0.036 0.000 0.217 2128 G C 1.744 176.871 174.900 0.380 0.000 1.168 2128 G CA 0.814 46.113 45.100 0.333 0.000 0.771 2128 G HN 0.571 nan 8.290 nan 0.000 0.551 2129 G N 0.386 109.353 108.800 0.279 0.000 2.459 2129 G HA2 -0.180 3.802 3.960 0.036 0.000 0.217 2129 G HA3 -0.180 3.802 3.960 0.036 0.000 0.217 2129 G C 1.819 176.841 174.900 0.203 0.000 1.183 2129 G CA 1.408 46.641 45.100 0.223 0.000 0.776 2129 G HN 0.332 nan 8.290 nan 0.000 0.552 2130 V N 0.370 120.403 119.914 0.199 0.000 2.233 2130 V HA -0.245 3.896 4.120 0.036 0.000 0.247 2130 V C 2.276 178.476 176.094 0.178 0.000 1.050 2130 V CA 2.092 64.487 62.300 0.158 0.000 1.010 2130 V CB -0.886 31.016 31.823 0.132 0.000 0.637 2130 V HN 0.510 nan 8.190 nan 0.000 0.444 2131 Y N 1.114 121.492 120.300 0.131 0.000 1.979 2131 Y HA -0.346 4.225 4.550 0.036 0.000 0.262 2131 Y C 2.701 178.594 175.900 -0.012 0.000 1.142 2131 Y CA 2.257 60.383 58.100 0.044 0.000 1.096 2131 Y CB -1.186 37.261 38.460 -0.021 0.000 0.958 2131 Y HN 0.352 nan 8.280 nan 0.000 0.484 2132 H N 0.037 118.917 119.070 -0.316 0.000 2.520 2132 H HA -0.136 4.442 4.556 0.036 0.000 0.295 2132 H C 2.063 177.257 175.328 -0.224 0.000 1.096 2132 H CA 1.153 56.955 56.048 -0.411 0.000 1.249 2132 H CB -0.459 29.224 29.762 -0.131 0.000 1.365 2132 H HN 0.576 nan 8.280 nan 0.000 0.556 2133 A N 0.025 122.836 122.820 -0.015 0.000 1.924 2133 A HA 0.075 4.416 4.320 0.036 0.000 0.211 2133 A C 2.454 180.011 177.584 -0.044 0.000 1.198 2133 A CA 0.472 52.504 52.037 -0.009 0.000 0.657 2133 A CB 0.012 19.032 19.000 0.032 0.000 0.852 2133 A HN 0.248 nan 8.150 nan 0.000 0.454 2134 I N -1.938 118.605 120.570 -0.046 0.000 3.526 2134 I HA 0.108 4.300 4.170 0.036 0.000 0.294 2134 I C 2.358 178.441 176.117 -0.057 0.000 1.229 2134 I CA 0.298 61.577 61.300 -0.035 0.000 1.408 2134 I CB -0.022 37.983 38.000 0.008 0.000 1.127 2134 I HN 0.198 nan 8.210 nan 0.000 0.439 2135 R N 1.476 121.906 120.500 -0.117 0.000 2.236 2135 R HA 0.134 4.496 4.340 0.036 0.000 0.208 2135 R C 0.054 176.286 176.300 -0.114 0.000 1.036 2135 R CA 0.700 56.751 56.100 -0.082 0.000 1.001 2135 R CB 0.330 30.654 30.300 0.040 0.000 0.896 2135 R HN 0.385 nan 8.270 nan 0.000 0.464 2136 G N 1.045 109.746 108.800 -0.166 0.000 2.146 2136 G HA2 0.095 4.076 3.960 0.036 0.000 0.261 2136 G HA3 0.095 4.076 3.960 0.036 0.000 0.261 2136 G C -2.813 172.025 174.900 -0.103 0.000 1.745 2136 G CA -1.136 43.900 45.100 -0.108 0.000 0.905 2136 G HN -0.034 nan 8.290 nan 0.000 0.746 2137 P HA 0.313 nan 4.420 nan 0.000 0.282 2137 P C 0.271 177.535 177.300 -0.061 0.000 1.273 2137 P CA -0.023 63.033 63.100 -0.073 0.000 0.809 2137 P CB 0.617 32.273 31.700 -0.074 0.000 1.246 2138 E N -2.470 117.685 120.200 -0.076 0.000 2.442 2138 E HA 0.365 4.737 4.350 0.036 0.000 0.271 2138 E C -0.600 175.943 176.600 -0.095 0.000 1.002 2138 E CA -0.296 56.064 56.400 -0.067 0.000 0.864 2138 E CB 1.257 30.919 29.700 -0.064 0.000 1.573 2138 E HN 0.401 nan 8.360 nan 0.000 0.456 2139 T N -0.501 113.998 114.554 -0.093 0.000 5.506 2139 T HA -0.115 4.257 4.350 0.036 0.000 0.269 2139 T C 0.399 175.037 174.700 -0.103 0.000 2.212 2139 T CA 1.147 63.167 62.100 -0.133 0.000 3.781 2139 T CB -0.999 67.758 68.868 -0.185 0.000 0.479 2139 T HN 0.425 nan 8.240 nan 0.000 0.969 2140 L N 1.035 122.224 121.223 -0.057 0.000 2.728 2140 L HA 0.326 4.687 4.340 0.036 0.000 0.238 2140 L C 0.402 177.273 176.870 0.001 0.000 1.143 2140 L CA 0.040 54.860 54.840 -0.033 0.000 0.937 2140 L CB 0.287 42.329 42.059 -0.029 0.000 1.225 2140 L HN 0.304 nan 8.230 nan 0.000 0.507 2141 E N 1.049 121.260 120.200 0.019 0.000 2.105 2141 E HA 0.032 4.403 4.350 0.036 0.000 0.285 2141 E C 0.263 176.915 176.600 0.087 0.000 1.055 2141 E CA -0.213 56.224 56.400 0.062 0.000 0.843 2141 E CB 1.239 30.990 29.700 0.086 0.000 1.067 2141 E HN 0.216 nan 8.360 nan 0.000 0.398 2142 E N 2.002 122.260 120.200 0.096 0.000 2.033 2142 E HA -0.266 4.105 4.350 0.036 0.000 0.199 2142 E C 1.478 178.174 176.600 0.160 0.000 1.011 2142 E CA 1.573 58.042 56.400 0.114 0.000 0.815 2142 E CB -0.075 29.686 29.700 0.101 0.000 0.755 2142 E HN 0.583 nan 8.360 nan 0.000 0.451 2143 Y N 0.936 121.289 120.300 0.089 0.000 2.352 2143 Y HA -0.149 4.423 4.550 0.036 0.000 0.292 2143 Y C 2.357 178.378 175.900 0.201 0.000 1.136 2143 Y CA 1.367 59.532 58.100 0.108 0.000 1.227 2143 Y CB 0.132 38.612 38.460 0.032 0.000 0.991 2143 Y HN -0.059 nan 8.280 nan 0.000 0.545 2144 S N -0.859 114.973 115.700 0.220 0.000 2.362 2144 S HA -0.149 4.343 4.470 0.036 0.000 0.221 2144 S C 2.036 176.734 174.600 0.164 0.000 1.032 2144 S CA 1.257 59.579 58.200 0.202 0.000 0.973 2144 S CB -0.398 62.903 63.200 0.169 0.000 0.849 2144 S HN 0.451 nan 8.310 nan 0.000 0.465 2145 S N 1.185 116.956 115.700 0.118 0.000 2.440 2145 S HA -0.048 4.444 4.470 0.036 0.000 0.238 2145 S C 1.376 176.101 174.600 0.208 0.000 1.010 2145 S CA 0.816 59.064 58.200 0.080 0.000 0.972 2145 S CB -0.343 62.864 63.200 0.011 0.000 0.774 2145 S HN 0.540 nan 8.310 nan 0.000 0.501 2146 F N 0.155 120.137 119.950 0.052 0.000 2.367 2146 F HA 0.182 4.731 4.527 0.037 0.000 0.298 2146 F C 1.524 177.372 175.800 0.079 0.000 1.094 2146 F CA 0.578 58.592 58.000 0.023 0.000 1.409 2146 F CB -0.012 38.892 39.000 -0.159 0.000 1.064 2146 F HN 0.201 nan 8.300 nan 0.000 0.528 2147 F N -0.235 119.706 119.950 -0.014 0.000 2.622 2147 F HA 0.421 4.970 4.527 0.037 0.000 0.288 2147 F C 1.010 176.828 175.800 0.030 0.000 1.120 2147 F CA 0.517 58.508 58.000 -0.015 0.000 1.423 2147 F CB 0.360 39.370 39.000 0.017 0.000 1.127 2147 F HN -0.188 nan 8.300 nan 0.000 0.588 2148 G N -0.088 108.801 108.800 0.148 0.000 3.003 2148 G HA2 0.323 4.305 3.960 0.036 0.000 0.293 2148 G HA3 0.323 4.305 3.960 0.036 0.000 0.293 2148 G C -1.664 173.294 174.900 0.095 0.000 1.553 2148 G CA -0.217 44.939 45.100 0.093 0.000 1.078 2148 G HN 0.061 nan 8.290 nan 0.000 0.550 2149 Y N 1.177 121.458 120.300 -0.031 0.000 2.486 2149 Y HA 0.538 5.109 4.550 0.036 0.000 0.356 2149 Y C 0.419 176.300 175.900 -0.031 0.000 1.330 2149 Y CA -0.057 58.022 58.100 -0.035 0.000 1.557 2149 Y CB 1.413 39.843 38.460 -0.051 0.000 1.647 2149 Y HN 0.411 nan 8.280 nan 0.000 0.585 2150 D N -1.839 118.619 120.400 0.098 0.000 2.712 2150 D HA 0.135 4.797 4.640 0.036 0.000 0.252 2150 D C -0.715 175.751 176.300 0.275 0.000 1.123 2150 D CA -0.318 53.697 54.000 0.026 0.000 1.109 2150 D CB 0.320 40.994 40.800 -0.209 0.000 1.313 2150 D HN 0.319 nan 8.370 nan 0.000 0.629 2151 W N 0.824 122.166 121.300 0.069 0.000 1.900 2151 W HA 0.138 4.821 4.660 0.038 0.000 0.357 2151 W C 1.413 177.985 176.519 0.088 0.000 1.390 2151 W CA -0.211 57.169 57.345 0.059 0.000 1.428 2151 W CB -0.348 29.081 29.460 -0.052 0.000 1.295 2151 W HN 0.449 nan 8.180 nan 0.000 0.666 2152 K N -1.063 119.543 120.400 0.343 0.000 3.377 2152 K HA -0.269 4.073 4.320 0.036 0.000 0.314 2152 K C 0.030 176.701 176.600 0.117 0.000 1.246 2152 K CA 1.685 58.099 56.287 0.212 0.000 0.961 2152 K CB -0.849 31.750 32.500 0.163 0.000 1.233 2152 K HN 0.367 nan 8.250 nan 0.000 0.428 2153 D N 0.989 121.489 120.400 0.167 0.000 2.499 2153 D HA 0.126 4.788 4.640 0.036 0.000 0.225 2153 D C 0.789 177.072 176.300 -0.028 0.000 1.124 2153 D CA -0.072 53.954 54.000 0.043 0.000 0.938 2153 D CB 0.601 41.460 40.800 0.098 0.000 1.014 2153 D HN 0.123 nan 8.370 nan 0.000 0.517 2154 K N 1.645 121.938 120.400 -0.178 0.000 2.077 2154 K HA -0.285 4.057 4.320 0.036 0.000 0.213 2154 K C 1.572 178.062 176.600 -0.184 0.000 1.051 2154 K CA 1.801 57.932 56.287 -0.260 0.000 0.929 2154 K CB -0.175 31.986 32.500 -0.565 0.000 0.715 2154 K HN 0.311 nan 8.250 nan 0.000 0.451 2155 N N 1.070 119.636 118.700 -0.224 0.000 2.309 2155 N HA -0.160 4.601 4.740 0.036 0.000 0.182 2155 N C 1.235 176.611 175.510 -0.223 0.000 1.018 2155 N CA 1.319 54.227 53.050 -0.237 0.000 0.876 2155 N CB 0.044 38.370 38.487 -0.269 0.000 0.972 2155 N HN 0.085 nan 8.380 nan 0.000 0.434 2156 K N -0.462 119.822 120.400 -0.193 0.000 2.242 2156 K HA 0.194 4.536 4.320 0.036 0.000 0.200 2156 K C 1.804 178.395 176.600 -0.015 0.000 1.050 2156 K CA 0.267 56.463 56.287 -0.152 0.000 0.981 2156 K CB -0.106 32.295 32.500 -0.165 0.000 0.795 2156 K HN 0.239 nan 8.250 nan 0.000 0.477 2157 M N 0.852 120.497 119.600 0.075 0.000 2.099 2157 M HA -0.085 4.417 4.480 0.036 0.000 0.262 2157 M C 2.025 178.370 176.300 0.074 0.000 1.067 2157 M CA 1.590 56.998 55.300 0.180 0.000 1.124 2157 M CB -1.291 31.508 32.600 0.332 0.000 1.353 2157 M HN 0.037 nan 8.290 nan 0.000 0.410 2158 T N 0.709 115.269 114.554 0.009 0.000 2.635 2158 T HA -0.152 4.219 4.350 0.036 0.000 0.267 2158 T C 1.778 176.412 174.700 -0.111 0.000 1.040 2158 T CA 2.251 64.339 62.100 -0.020 0.000 1.156 2158 T CB -0.460 68.383 68.868 -0.042 0.000 0.863 2158 T HN 0.408 nan 8.240 nan 0.000 0.430 2159 T N 1.846 116.271 114.554 -0.216 0.000 2.833 2159 T HA 0.058 4.430 4.350 0.036 0.000 0.269 2159 T C 1.948 176.226 174.700 -0.703 0.000 1.054 2159 T CA 0.795 62.616 62.100 -0.466 0.000 1.135 2159 T CB -0.354 68.244 68.868 -0.451 0.000 0.869 2159 T HN 0.355 nan 8.240 nan 0.000 0.466 2160 I N 0.454 120.870 120.570 -0.257 0.000 2.353 2160 I HA -0.075 4.116 4.170 0.036 0.000 0.248 2160 I C 2.253 178.433 176.117 0.106 0.000 1.119 2160 I CA 0.544 61.864 61.300 0.033 0.000 1.417 2160 I CB -0.319 37.806 38.000 0.209 0.000 1.078 2160 I HN 0.176 nan 8.210 nan 0.000 0.421 2161 L N 1.495 122.741 121.223 0.039 0.000 1.976 2161 L HA -0.072 4.290 4.340 0.036 0.000 0.209 2161 L C 2.414 179.275 176.870 -0.015 0.000 1.071 2161 L CA 2.398 57.272 54.840 0.057 0.000 0.746 2161 L CB -1.550 40.481 42.059 -0.047 0.000 0.890 2161 L HN 0.200 nan 8.230 nan 0.000 0.432 2162 G N -0.849 107.856 108.800 -0.159 0.000 2.513 2162 G HA2 -0.356 3.626 3.960 0.036 0.000 0.219 2162 G HA3 -0.356 3.626 3.960 0.036 0.000 0.219 2162 G C 1.620 176.507 174.900 -0.021 0.000 1.160 2162 G CA 1.267 46.299 45.100 -0.115 0.000 0.767 2162 G HN 0.492 nan 8.290 nan 0.000 0.571 2163 F N 0.441 120.361 119.950 -0.051 0.000 2.024 2163 F HA -0.233 4.316 4.527 0.036 0.000 0.296 2163 F C 2.771 178.501 175.800 -0.116 0.000 1.137 2163 F CA 1.716 59.631 58.000 -0.142 0.000 1.200 2163 F CB -0.460 38.350 39.000 -0.317 0.000 0.954 2163 F HN 0.208 nan 8.300 nan 0.000 0.497 2164 H N -0.312 118.899 119.070 0.235 0.000 2.541 2164 H HA -0.105 4.473 4.556 0.037 0.000 0.289 2164 H C 1.962 177.346 175.328 0.094 0.000 1.054 2164 H CA 0.744 56.873 56.048 0.136 0.000 1.250 2164 H CB -0.157 29.672 29.762 0.112 0.000 1.369 2164 H HN 0.295 nan 8.280 nan 0.000 0.578 2165 L N -0.270 121.056 121.223 0.171 0.000 2.270 2165 L HA -0.045 4.317 4.340 0.036 0.000 0.210 2165 L C 1.670 178.605 176.870 0.108 0.000 1.104 2165 L CA 0.631 55.535 54.840 0.107 0.000 0.804 2165 L CB 0.014 42.108 42.059 0.058 0.000 0.937 2165 L HN 0.362 nan 8.230 nan 0.000 0.450 2166 I N -1.171 119.472 120.570 0.122 0.000 2.928 2166 I HA -0.160 4.032 4.170 0.036 0.000 0.266 2166 I C 2.101 178.276 176.117 0.098 0.000 1.234 2166 I CA 0.377 61.743 61.300 0.112 0.000 1.483 2166 I CB 0.111 38.191 38.000 0.132 0.000 1.097 2166 I HN 0.029 nan 8.210 nan 0.000 0.455 2167 V N 0.776 120.754 119.914 0.107 0.000 2.446 2167 V HA -0.156 3.986 4.120 0.036 0.000 0.244 2167 V C 2.237 178.386 176.094 0.093 0.000 1.039 2167 V CA 1.252 63.611 62.300 0.099 0.000 1.045 2167 V CB -0.340 31.558 31.823 0.124 0.000 0.681 2167 V HN 0.342 nan 8.190 nan 0.000 0.459 2168 L N 0.685 121.966 121.223 0.098 0.000 2.109 2168 L HA 0.043 4.405 4.340 0.036 0.000 0.207 2168 L C 2.701 179.615 176.870 0.074 0.000 1.086 2168 L CA 1.463 56.353 54.840 0.083 0.000 0.760 2168 L CB -1.248 40.856 42.059 0.076 0.000 0.910 2168 L HN 0.456 nan 8.230 nan 0.000 0.437 2169 G N 0.683 109.529 108.800 0.075 0.000 2.469 2169 G HA2 -0.234 3.748 3.960 0.036 0.000 0.220 2169 G HA3 -0.234 3.748 3.960 0.036 0.000 0.220 2169 G C 1.574 176.516 174.900 0.070 0.000 1.136 2169 G CA 0.801 45.943 45.100 0.070 0.000 0.759 2169 G HN 0.244 nan 8.290 nan 0.000 0.562 2170 I N 0.756 121.368 120.570 0.070 0.000 2.185 2170 I HA 0.004 4.196 4.170 0.036 0.000 0.235 2170 I C 3.172 179.328 176.117 0.065 0.000 1.069 2170 I CA 0.942 62.280 61.300 0.064 0.000 1.354 2170 I CB -0.776 37.260 38.000 0.059 0.000 1.093 2170 I HN 0.224 nan 8.210 nan 0.000 0.411 2171 G N 0.690 109.529 108.800 0.065 0.000 2.545 2171 G HA2 -0.355 3.627 3.960 0.036 0.000 0.222 2171 G HA3 -0.355 3.627 3.960 0.036 0.000 0.222 2171 G C 1.776 176.727 174.900 0.086 0.000 1.126 2171 G CA 1.203 46.341 45.100 0.065 0.000 0.754 2171 G HN 0.530 nan 8.290 nan 0.000 0.583 2172 A N 0.571 123.454 122.820 0.104 0.000 1.858 2172 A HA 0.084 4.426 4.320 0.036 0.000 0.216 2172 A C 2.454 180.139 177.584 0.169 0.000 1.190 2172 A CA 1.448 53.581 52.037 0.159 0.000 0.617 2172 A CB -0.470 18.594 19.000 0.106 0.000 0.827 2172 A HN 0.369 nan 8.150 nan 0.000 0.443 2173 L N -0.352 120.942 121.223 0.119 0.000 2.191 2173 L HA -0.147 4.214 4.340 0.036 0.000 0.212 2173 L C 2.381 179.304 176.870 0.089 0.000 1.103 2173 L CA 0.633 55.538 54.840 0.109 0.000 0.769 2173 L CB -0.499 41.609 42.059 0.082 0.000 0.908 2173 L HN 0.380 nan 8.230 nan 0.000 0.438 2174 L N -0.735 120.525 121.223 0.061 0.000 2.141 2174 L HA -0.204 4.157 4.340 0.036 0.000 0.209 2174 L C 2.547 179.417 176.870 -0.000 0.000 1.094 2174 L CA 0.682 55.528 54.840 0.009 0.000 0.763 2174 L CB -0.412 41.632 42.059 -0.024 0.000 0.908 2174 L HN 0.285 nan 8.230 nan 0.000 0.437 2175 L N -0.228 121.019 121.223 0.040 0.000 2.083 2175 L HA -0.154 4.207 4.340 0.036 0.000 0.209 2175 L C 2.374 179.273 176.870 0.048 0.000 1.083 2175 L CA 1.516 56.373 54.840 0.029 0.000 0.752 2175 L CB -0.275 41.806 42.059 0.036 0.000 0.899 2175 L HN -0.075 nan 8.230 nan 0.000 0.433 2176 V N -0.006 119.959 119.914 0.086 0.000 2.343 2176 V HA -0.284 3.858 4.120 0.036 0.000 0.247 2176 V C 2.802 178.985 176.094 0.149 0.000 1.051 2176 V CA 1.586 63.956 62.300 0.117 0.000 1.036 2176 V CB -1.581 30.327 31.823 0.141 0.000 0.654 2176 V HN 0.594 nan 8.190 nan 0.000 0.451 2177 A N -0.125 122.781 122.820 0.142 0.000 1.902 2177 A HA -0.261 4.081 4.320 0.036 0.000 0.217 2177 A C 2.273 180.034 177.584 0.296 0.000 1.181 2177 A CA 2.063 54.242 52.037 0.238 0.000 0.623 2177 A CB -0.504 18.583 19.000 0.145 0.000 0.818 2177 A HN 0.507 nan 8.150 nan 0.000 0.443 2178 K N -0.706 119.753 120.400 0.099 0.000 2.555 2178 K HA 0.136 4.478 4.320 0.036 0.000 0.193 2178 K C 1.270 178.013 176.600 0.237 0.000 1.032 2178 K CA 0.697 57.069 56.287 0.143 0.000 1.004 2178 K CB -0.167 32.338 32.500 0.008 0.000 0.804 2178 K HN 0.443 nan 8.250 nan 0.000 0.496 2179 A N -0.055 122.896 122.820 0.218 0.000 2.066 2179 A HA 0.095 4.437 4.320 0.036 0.000 0.198 2179 A C 1.726 179.429 177.584 0.198 0.000 1.405 2179 A CA -0.092 52.059 52.037 0.191 0.000 0.973 2179 A CB 0.016 19.100 19.000 0.139 0.000 1.026 2179 A HN 0.339 nan 8.150 nan 0.000 0.474 2180 M N -3.746 115.994 119.600 0.233 0.000 2.412 2180 M HA 0.424 4.926 4.480 0.036 0.000 0.263 2180 M C 1.607 178.087 176.300 0.299 0.000 1.122 2180 M CA 1.389 56.830 55.300 0.236 0.000 1.179 2180 M CB -0.198 32.534 32.600 0.220 0.000 1.335 2180 M HN 0.110 nan 8.290 nan 0.000 0.465 2181 F N 0.078 120.147 119.950 0.199 0.000 2.682 2181 F HA 0.519 5.067 4.527 0.036 0.000 0.308 2181 F C -0.328 175.476 175.800 0.007 0.000 1.093 2181 F CA -1.400 56.659 58.000 0.099 0.000 1.244 2181 F CB 0.625 39.667 39.000 0.070 0.000 1.052 2181 F HN -0.098 nan 8.300 nan 0.000 0.573 2182 F N -0.451 119.541 119.950 0.070 0.000 2.611 2182 F HA 0.560 5.109 4.527 0.037 0.000 0.374 2182 F C 1.269 177.114 175.800 0.076 0.000 1.110 2182 F CA -0.933 57.098 58.000 0.052 0.000 1.090 2182 F CB 0.150 39.246 39.000 0.160 0.000 1.388 2182 F HN -0.239 nan 8.300 nan 0.000 0.501 2183 G N 1.384 110.419 108.800 0.391 0.000 2.515 2183 G HA2 0.326 4.308 3.960 0.036 0.000 0.290 2183 G HA3 0.326 4.308 3.960 0.036 0.000 0.290 2183 G C 0.757 175.838 174.900 0.301 0.000 0.795 2183 G CA 0.245 45.510 45.100 0.275 0.000 1.866 2183 G HN 1.017 nan 8.290 nan 0.000 0.476 2184 G N 0.923 109.846 108.800 0.205 0.000 2.390 2184 G HA2 0.008 3.989 3.960 0.036 0.000 1.024 2184 G HA3 0.008 3.989 3.960 0.036 0.000 1.024 2184 G C -0.052 174.987 174.900 0.231 0.000 1.408 2184 G CA 0.706 45.922 45.100 0.193 0.000 0.850 2184 G HN 1.260 nan 8.290 nan 0.000 0.537 2185 L N -3.348 117.995 121.223 0.201 0.000 2.540 2185 L HA 0.574 4.936 4.340 0.036 0.000 0.256 2185 L C -1.119 175.887 176.870 0.225 0.000 1.001 2185 L CA -1.059 53.915 54.840 0.223 0.000 0.843 2185 L CB 1.967 44.127 42.059 0.168 0.000 1.436 2185 L HN 0.612 nan 8.230 nan 0.000 0.410 2186 Y N 2.939 123.336 120.300 0.162 0.000 2.539 2186 Y HA 0.267 4.839 4.550 0.036 0.000 0.352 2186 Y C -0.159 175.804 175.900 0.106 0.000 1.004 2186 Y CA -0.034 58.156 58.100 0.150 0.000 1.278 2186 Y CB 0.254 38.833 38.460 0.197 0.000 1.136 2186 Y HN 0.480 nan 8.280 nan 0.000 0.528 2187 D N 3.995 124.222 120.400 -0.290 0.000 2.313 2187 D HA 0.081 4.743 4.640 0.036 0.000 0.239 2187 D C 0.252 176.363 176.300 -0.316 0.000 1.142 2187 D CA 0.001 53.924 54.000 -0.129 0.000 0.847 2187 D CB 1.647 42.432 40.800 -0.024 0.000 1.082 2187 D HN 0.639 nan 8.370 nan 0.000 0.480 2188 T N 3.123 117.576 114.554 -0.167 0.000 3.100 2188 T HA 0.033 4.405 4.350 0.036 0.000 0.253 2188 T C 0.255 174.710 174.700 -0.409 0.000 1.118 2188 T CA 0.134 62.066 62.100 -0.280 0.000 1.058 2188 T CB 0.074 68.791 68.868 -0.252 0.000 0.953 2188 T HN 0.384 nan 8.240 nan 0.000 0.515 2189 W N 1.149 122.438 121.300 -0.018 0.000 2.415 2189 W HA 0.676 5.357 4.660 0.035 0.000 0.355 2189 W C 0.439 176.954 176.519 -0.006 0.000 1.161 2189 W CA -1.358 55.989 57.345 0.004 0.000 1.315 2189 W CB 0.303 29.763 29.460 0.001 0.000 1.261 2189 W HN -0.027 nan 8.180 nan 0.000 0.636 2190 A N 3.351 126.335 122.820 0.274 0.000 2.291 2190 A HA -0.034 4.308 4.320 0.036 0.000 0.304 2190 A C -2.023 175.613 177.584 0.088 0.000 0.929 2190 A CA 0.264 52.397 52.037 0.159 0.000 1.299 2190 A CB -1.146 17.952 19.000 0.164 0.000 0.702 2190 A HN 0.407 nan 8.150 nan 0.000 0.303 2191 P HA 0.695 nan 4.420 nan 0.000 0.315 2191 P C 0.938 178.229 177.300 -0.015 0.000 1.179 2191 P CA 0.459 63.583 63.100 0.039 0.000 0.965 2191 P CB 1.195 32.919 31.700 0.040 0.000 1.382 2192 G N -0.144 108.626 108.800 -0.049 0.000 3.799 2192 G HA2 -0.347 3.635 3.960 0.036 0.000 0.223 2192 G HA3 -0.347 3.635 3.960 0.036 0.000 0.223 2192 G C 0.888 175.675 174.900 -0.188 0.000 1.534 2192 G CA 1.466 46.472 45.100 -0.156 0.000 1.480 2192 G HN 1.016 nan 8.290 nan 0.000 0.698 2193 G N -1.206 107.537 108.800 -0.095 0.000 3.155 2193 G HA2 0.544 4.526 3.960 0.036 0.000 0.193 2193 G HA3 0.544 4.526 3.960 0.036 0.000 0.193 2193 G C 1.403 176.285 174.900 -0.031 0.000 1.215 2193 G CA 1.448 46.520 45.100 -0.046 0.000 0.917 2193 G HN 2.112 nan 8.290 nan 0.000 0.756 2194 G N 2.188 110.936 108.800 -0.086 0.000 2.356 2194 G HA2 -0.251 3.731 3.960 0.036 0.000 0.296 2194 G HA3 -0.251 3.731 3.960 0.036 0.000 0.296 2194 G C 0.310 174.979 174.900 -0.385 0.000 1.022 2194 G CA 0.507 45.490 45.100 -0.195 0.000 0.961 2194 G HN 0.777 nan 8.290 nan 0.000 0.510 2195 D N -0.855 119.446 120.400 -0.164 0.000 2.273 2195 D HA 0.225 4.886 4.640 0.036 0.000 0.247 2195 D C 1.114 177.334 176.300 -0.134 0.000 1.313 2195 D CA -0.403 53.553 54.000 -0.075 0.000 0.974 2195 D CB -0.031 40.818 40.800 0.082 0.000 1.157 2195 D HN 0.309 nan 8.370 nan 0.000 0.533 2196 V N -0.004 119.956 119.914 0.076 0.000 2.720 2196 V HA 0.028 4.169 4.120 0.036 0.000 0.307 2196 V C 0.826 176.943 176.094 0.038 0.000 1.071 2196 V CA 0.659 63.020 62.300 0.103 0.000 1.199 2196 V CB -0.677 31.248 31.823 0.170 0.000 0.900 2196 V HN 0.704 nan 8.190 nan 0.000 0.494 2197 R N 3.349 123.873 120.500 0.041 0.000 2.651 2197 R HA 0.738 5.100 4.340 0.036 0.000 0.278 2197 R C -1.360 174.982 176.300 0.070 0.000 1.010 2197 R CA -0.966 55.157 56.100 0.039 0.000 0.896 2197 R CB 1.799 32.107 30.300 0.014 0.000 1.211 2197 R HN 0.414 nan 8.270 nan 0.000 0.456 2198 V N 1.916 121.871 119.914 0.068 0.000 2.498 2198 V HA 0.444 4.585 4.120 0.036 0.000 0.279 2198 V C 0.686 176.833 176.094 0.089 0.000 1.048 2198 V CA -0.772 61.581 62.300 0.087 0.000 0.967 2198 V CB 0.508 32.372 31.823 0.069 0.000 0.988 2198 V HN 0.653 nan 8.190 nan 0.000 0.473 2199 I N 3.277 123.912 120.570 0.107 0.000 2.713 2199 I HA 0.500 4.691 4.170 0.036 0.000 0.300 2199 I C 0.378 176.559 176.117 0.107 0.000 1.009 2199 I CA -0.023 61.339 61.300 0.102 0.000 1.305 2199 I CB 1.565 39.630 38.000 0.108 0.000 1.430 2199 I HN 0.701 nan 8.210 nan 0.000 0.546 2200 T N 2.422 117.033 114.554 0.095 0.000 2.921 2200 T HA 0.231 4.603 4.350 0.036 0.000 0.297 2200 T C -0.529 174.225 174.700 0.090 0.000 1.013 2200 T CA -0.754 61.402 62.100 0.094 0.000 0.990 2200 T CB 1.155 70.071 68.868 0.079 0.000 1.023 2200 T HN 0.879 nan 8.240 nan 0.000 0.447 2201 N N 1.423 120.178 118.700 0.093 0.000 2.620 2201 N HA -0.148 4.613 4.740 0.036 0.000 0.293 2201 N C -2.820 172.750 175.510 0.101 0.000 1.178 2201 N CA -0.291 52.814 53.050 0.092 0.000 0.750 2201 N CB -0.927 37.606 38.487 0.078 0.000 0.949 2201 N HN 0.299 nan 8.380 nan 0.000 0.555 2202 P HA 0.031 nan 4.420 nan 0.000 0.269 2202 P C -0.094 177.290 177.300 0.140 0.000 1.217 2202 P CA -0.012 63.167 63.100 0.131 0.000 0.783 2202 P CB 0.463 32.256 31.700 0.154 0.000 0.898 2203 T N 2.776 117.411 114.554 0.135 0.000 2.891 2203 T HA 0.014 4.386 4.350 0.036 0.000 0.258 2203 T C 0.958 175.768 174.700 0.184 0.000 0.942 2203 T CA 0.316 62.494 62.100 0.131 0.000 1.200 2203 T CB -0.658 68.276 68.868 0.110 0.000 0.922 2203 T HN 0.258 nan 8.240 nan 0.000 0.585 2204 L N 2.735 124.087 121.223 0.215 0.000 2.653 2204 L HA 0.242 4.604 4.340 0.036 0.000 0.231 2204 L C 0.905 177.983 176.870 0.348 0.000 1.153 2204 L CA 0.071 55.126 54.840 0.358 0.000 0.933 2204 L CB -0.040 42.206 42.059 0.312 0.000 1.175 2204 L HN 0.492 nan 8.230 nan 0.000 0.473 2205 D N 0.101 120.610 120.400 0.181 0.000 2.488 2205 D HA -0.043 4.619 4.640 0.036 0.000 0.238 2205 D C -1.595 174.747 176.300 0.068 0.000 1.138 2205 D CA -1.008 53.061 54.000 0.114 0.000 0.873 2205 D CB 1.718 42.542 40.800 0.041 0.000 1.183 2205 D HN 0.079 nan 8.370 nan 0.000 0.458 2206 P HA -0.057 nan 4.420 nan 0.000 0.217 2206 P C 1.141 178.321 177.300 -0.201 0.000 1.150 2206 P CA 1.157 64.203 63.100 -0.090 0.000 0.832 2206 P CB 0.317 32.035 31.700 0.030 0.000 0.787 2207 R N -0.560 119.868 120.500 -0.119 0.000 2.056 2207 R HA -0.050 4.312 4.340 0.036 0.000 0.227 2207 R C 2.301 178.539 176.300 -0.104 0.000 1.149 2207 R CA 0.989 57.018 56.100 -0.119 0.000 0.937 2207 R CB -1.699 28.542 30.300 -0.098 0.000 0.835 2207 R HN -0.008 nan 8.270 nan 0.000 0.430 2208 V N 2.068 121.910 119.914 -0.119 0.000 2.252 2208 V HA -0.317 3.824 4.120 0.036 0.000 0.255 2208 V C 2.105 178.064 176.094 -0.225 0.000 1.071 2208 V CA 2.005 64.192 62.300 -0.188 0.000 1.050 2208 V CB -0.376 31.378 31.823 -0.115 0.000 0.654 2208 V HN 0.291 nan 8.190 nan 0.000 0.448 2209 I N -0.610 119.883 120.570 -0.130 0.000 2.208 2209 I HA -0.201 3.991 4.170 0.036 0.000 0.245 2209 I C 2.308 178.315 176.117 -0.184 0.000 1.097 2209 I CA 2.018 63.231 61.300 -0.144 0.000 1.363 2209 I CB -1.440 36.311 38.000 -0.415 0.000 1.051 2209 I HN 0.353 nan 8.210 nan 0.000 0.413 2210 F N 0.755 120.548 119.950 -0.263 0.000 2.664 2210 F HA 0.179 4.728 4.527 0.036 0.000 0.296 2210 F C 2.500 178.186 175.800 -0.189 0.000 1.125 2210 F CA 0.494 58.369 58.000 -0.207 0.000 1.444 2210 F CB -1.259 37.602 39.000 -0.232 0.000 1.114 2210 F HN 0.018 nan 8.300 nan 0.000 0.576 2211 G N -0.721 108.037 108.800 -0.069 0.000 2.422 2211 G HA2 -0.290 3.692 3.960 0.036 0.000 0.218 2211 G HA3 -0.290 3.692 3.960 0.036 0.000 0.218 2211 G C 1.510 176.318 174.900 -0.153 0.000 1.146 2211 G CA 0.605 45.607 45.100 -0.163 0.000 0.769 2211 G HN 0.371 nan 8.290 nan 0.000 0.547 2212 Y N 0.177 120.455 120.300 -0.037 0.000 2.315 2212 Y HA -0.015 4.556 4.550 0.036 0.000 0.288 2212 Y C 2.640 178.538 175.900 -0.004 0.000 1.154 2212 Y CA 0.403 58.500 58.100 -0.005 0.000 1.229 2212 Y CB -0.010 38.448 38.460 -0.003 0.000 0.980 2212 Y HN 0.114 nan 8.280 nan 0.000 0.540 2213 L N -0.822 120.400 121.223 -0.001 0.000 2.270 2213 L HA -0.097 4.265 4.340 0.036 0.000 0.210 2213 L C 1.370 178.048 176.870 -0.320 0.000 1.104 2213 L CA 0.582 55.244 54.840 -0.297 0.000 0.804 2213 L CB -0.090 41.776 42.059 -0.323 0.000 0.937 2213 L HN 0.255 nan 8.230 nan 0.000 0.450 2214 L N -0.571 120.565 121.223 -0.145 0.000 2.629 2214 L HA 0.114 4.476 4.340 0.036 0.000 0.230 2214 L C 0.222 177.056 176.870 -0.059 0.000 1.151 2214 L CA 0.055 54.819 54.840 -0.126 0.000 0.924 2214 L CB -0.230 41.773 42.059 -0.094 0.000 1.137 2214 L HN 0.039 nan 8.230 nan 0.000 0.457 2215 K N 0.544 120.950 120.400 0.010 0.000 2.123 2215 K HA 0.242 4.584 4.320 0.036 0.000 0.259 2215 K C 0.031 176.691 176.600 0.100 0.000 0.960 2215 K CA -0.389 55.931 56.287 0.055 0.000 0.872 2215 K CB 1.959 34.506 32.500 0.078 0.000 1.079 2215 K HN -0.197 nan 8.250 nan 0.000 0.440 2216 S N 3.333 119.064 115.700 0.051 0.000 2.702 2216 S HA -0.023 4.469 4.470 0.036 0.000 0.314 2216 S C -1.545 173.048 174.600 -0.012 0.000 1.244 2216 S CA -0.612 57.590 58.200 0.003 0.000 1.058 2216 S CB 0.146 63.377 63.200 0.052 0.000 0.783 2216 S HN 0.311 nan 8.310 nan 0.000 0.503 2217 P HA 0.209 nan 4.420 nan 0.000 0.249 2217 P C -0.422 176.762 177.300 -0.193 0.000 1.544 2217 P CA 0.060 63.042 63.100 -0.198 0.000 0.932 2217 P CB -0.344 31.191 31.700 -0.276 0.000 1.524 2218 F N -0.197 119.764 119.950 0.019 0.000 2.518 2218 F HA 0.555 5.100 4.527 0.031 0.000 0.338 2218 F C 1.319 177.129 175.800 0.017 0.000 1.065 2218 F CA -1.207 56.801 58.000 0.014 0.000 1.012 2218 F CB 0.785 39.805 39.000 0.033 0.000 1.297 2218 F HN -0.147 nan 8.300 nan 0.000 0.489 2219 G N 1.281 110.242 108.800 0.269 0.000 2.310 2219 G HA2 0.068 4.050 3.960 0.036 0.000 0.235 2219 G HA3 0.068 4.050 3.960 0.036 0.000 0.235 2219 G C 0.992 175.937 174.900 0.076 0.000 0.339 2219 G CA 0.748 45.926 45.100 0.131 0.000 1.058 2219 G HN 1.529 nan 8.290 nan 0.000 0.460 2220 G N 1.644 110.509 108.800 0.109 0.000 2.562 2220 G HA2 -0.344 3.638 3.960 0.036 0.000 0.241 2220 G HA3 -0.344 3.638 3.960 0.036 0.000 0.241 2220 G C 0.511 175.443 174.900 0.053 0.000 1.120 2220 G CA 0.811 45.960 45.100 0.081 0.000 0.673 2220 G HN 1.036 nan 8.290 nan 0.000 0.519 2221 E N 1.839 122.063 120.200 0.040 0.000 1.814 2221 E HA 0.474 4.846 4.350 0.036 0.000 0.264 2221 E C 0.630 177.230 176.600 -0.000 0.000 1.179 2221 E CA 0.186 56.604 56.400 0.031 0.000 0.972 2221 E CB 0.456 30.191 29.700 0.058 0.000 1.077 2221 E HN 0.527 nan 8.360 nan 0.000 0.417 2222 G N 1.927 110.682 108.800 -0.075 0.000 2.372 2222 G HA2 0.235 4.217 3.960 0.036 0.000 0.323 2222 G HA3 0.235 4.217 3.960 0.036 0.000 0.323 2222 G C 0.410 175.243 174.900 -0.112 0.000 1.152 2222 G CA -0.916 44.067 45.100 -0.196 0.000 0.906 2222 G HN 0.652 nan 8.290 nan 0.000 0.460 2223 W N 3.785 125.026 121.300 -0.098 0.000 2.247 2223 W HA -0.250 4.431 4.660 0.035 0.000 0.330 2223 W C 1.691 178.148 176.519 -0.104 0.000 1.278 2223 W CA 1.899 59.215 57.345 -0.048 0.000 1.174 2223 W CB -0.978 28.462 29.460 -0.033 0.000 1.153 2223 W HN 0.380 nan 8.180 nan 0.000 0.464 2224 I N 0.556 121.151 120.570 0.042 0.000 2.335 2224 I HA -0.275 3.916 4.170 0.036 0.000 0.251 2224 I C 2.290 178.145 176.117 -0.437 0.000 1.129 2224 I CA 1.620 62.871 61.300 -0.083 0.000 1.402 2224 I CB -0.993 37.026 38.000 0.033 0.000 1.069 2224 I HN 0.047 nan 8.210 nan 0.000 0.424 2225 V N 0.168 119.714 119.914 -0.614 0.000 2.667 2225 V HA -0.176 3.966 4.120 0.036 0.000 0.252 2225 V C 2.369 178.228 176.094 -0.393 0.000 1.065 2225 V CA 1.696 63.548 62.300 -0.745 0.000 1.083 2225 V CB -0.533 30.893 31.823 -0.662 0.000 0.692 2225 V HN 0.392 nan 8.190 nan 0.000 0.468 2226 S N 0.672 116.220 115.700 -0.253 0.000 2.462 2226 S HA -0.112 4.380 4.470 0.036 0.000 0.243 2226 S C 1.137 175.621 174.600 -0.193 0.000 1.003 2226 S CA 0.969 59.090 58.200 -0.131 0.000 0.970 2226 S CB -0.822 62.402 63.200 0.040 0.000 0.762 2226 S HN 0.627 nan 8.310 nan 0.000 0.510 2227 V N 2.756 122.441 119.914 -0.381 0.000 2.568 2227 V HA 0.027 4.169 4.120 0.036 0.000 0.270 2227 V C 1.238 177.236 176.094 -0.160 0.000 0.963 2227 V CA -0.059 62.021 62.300 -0.367 0.000 1.161 2227 V CB -0.599 31.021 31.823 -0.338 0.000 0.969 2227 V HN 0.302 nan 8.190 nan 0.000 0.464 2228 N N 4.650 123.263 118.700 -0.145 0.000 2.178 2228 N HA -0.089 4.673 4.740 0.036 0.000 0.189 2228 N C 0.915 176.264 175.510 -0.268 0.000 1.048 2228 N CA 0.756 53.666 53.050 -0.232 0.000 0.855 2228 N CB -0.044 38.246 38.487 -0.328 0.000 1.028 2228 N HN 0.771 nan 8.380 nan 0.000 0.441 2229 N N 1.849 120.427 118.700 -0.203 0.000 2.468 2229 N HA -0.065 4.696 4.740 0.036 0.000 0.265 2229 N C 1.068 176.572 175.510 -0.011 0.000 1.199 2229 N CA -0.048 52.922 53.050 -0.133 0.000 0.928 2229 N CB 0.768 39.209 38.487 -0.076 0.000 1.059 2229 N HN 0.259 nan 8.380 nan 0.000 0.467 2230 L N 4.188 125.441 121.223 0.049 0.000 2.187 2230 L HA -0.122 4.240 4.340 0.036 0.000 0.213 2230 L C 1.710 178.626 176.870 0.076 0.000 1.100 2230 L CA 1.754 56.648 54.840 0.090 0.000 0.765 2230 L CB -0.225 41.910 42.059 0.127 0.000 0.904 2230 L HN 0.680 nan 8.230 nan 0.000 0.437 2231 E N -0.708 119.535 120.200 0.072 0.000 2.204 2231 E HA -0.213 4.159 4.350 0.036 0.000 0.194 2231 E C 1.590 178.251 176.600 0.103 0.000 0.989 2231 E CA 1.208 57.660 56.400 0.086 0.000 0.824 2231 E CB -0.104 29.643 29.700 0.078 0.000 0.756 2231 E HN 0.625 nan 8.360 nan 0.000 0.477 2232 D N 0.320 120.779 120.400 0.098 0.000 2.078 2232 D HA -0.156 4.506 4.640 0.036 0.000 0.193 2232 D C 1.991 178.373 176.300 0.136 0.000 0.990 2232 D CA 1.036 55.119 54.000 0.138 0.000 0.827 2232 D CB -0.299 40.594 40.800 0.154 0.000 0.975 2232 D HN -0.045 nan 8.370 nan 0.000 0.451 2233 V N 0.409 120.379 119.914 0.093 0.000 2.370 2233 V HA -0.245 3.896 4.120 0.036 0.000 0.252 2233 V C 2.412 178.565 176.094 0.099 0.000 1.068 2233 V CA 1.185 63.542 62.300 0.095 0.000 1.061 2233 V CB -0.524 31.321 31.823 0.037 0.000 0.656 2233 V HN 0.108 nan 8.190 nan 0.000 0.455 2234 V N 0.615 120.582 119.914 0.089 0.000 2.244 2234 V HA -0.146 3.996 4.120 0.036 0.000 0.244 2234 V C 2.652 178.868 176.094 0.203 0.000 1.042 2234 V CA 2.257 64.617 62.300 0.100 0.000 1.006 2234 V CB -1.300 30.585 31.823 0.105 0.000 0.641 2234 V HN 0.602 nan 8.190 nan 0.000 0.446 2235 G N -0.232 108.696 108.800 0.212 0.000 2.462 2235 G HA2 -0.179 3.803 3.960 0.036 0.000 0.220 2235 G HA3 -0.179 3.803 3.960 0.036 0.000 0.220 2235 G C 1.503 176.618 174.900 0.358 0.000 1.121 2235 G CA 0.908 46.178 45.100 0.283 0.000 0.758 2235 G HN 0.627 nan 8.290 nan 0.000 0.559 2236 G N -0.951 108.027 108.800 0.296 0.000 2.679 2236 G HA2 0.018 4.000 3.960 0.036 0.000 0.212 2236 G HA3 0.018 4.000 3.960 0.036 0.000 0.212 2236 G C 1.400 176.473 174.900 0.290 0.000 1.137 2236 G CA 0.739 45.993 45.100 0.258 0.000 0.787 2236 G HN 0.517 nan 8.290 nan 0.000 0.534 2237 H N -0.607 118.564 119.070 0.167 0.000 2.557 2237 H HA 0.311 4.888 4.556 0.036 0.000 0.281 2237 H C 2.469 177.891 175.328 0.156 0.000 0.990 2237 H CA -0.128 56.004 56.048 0.141 0.000 1.278 2237 H CB 0.177 30.005 29.762 0.110 0.000 1.451 2237 H HN 0.261 nan 8.280 nan 0.000 0.516 2238 I N -0.648 120.094 120.570 0.287 0.000 2.127 2238 I HA -0.327 3.865 4.170 0.036 0.000 0.241 2238 I C 1.670 177.861 176.117 0.123 0.000 1.075 2238 I CA 1.414 62.818 61.300 0.173 0.000 1.334 2238 I CB -0.282 37.811 38.000 0.155 0.000 1.040 2238 I HN 0.313 nan 8.210 nan 0.000 0.405 2239 W N 0.566 121.912 121.300 0.076 0.000 2.342 2239 W HA -0.214 4.469 4.660 0.037 0.000 0.297 2239 W C 2.440 178.975 176.519 0.027 0.000 1.213 2239 W CA 0.782 58.164 57.345 0.062 0.000 1.251 2239 W CB -0.304 29.188 29.460 0.053 0.000 1.136 2239 W HN 0.048 nan 8.180 nan 0.000 0.526 2240 I N -0.129 120.564 120.570 0.206 0.000 2.113 2240 I HA -0.162 4.030 4.170 0.036 0.000 0.238 2240 I C 2.629 178.792 176.117 0.076 0.000 1.070 2240 I CA 1.969 63.321 61.300 0.087 0.000 1.332 2240 I CB -2.018 35.960 38.000 -0.036 0.000 1.044 2240 I HN 0.083 nan 8.210 nan 0.000 0.402 2241 G N 1.370 110.210 108.800 0.067 0.000 2.476 2241 G HA2 -0.236 3.746 3.960 0.036 0.000 0.218 2241 G HA3 -0.236 3.746 3.960 0.036 0.000 0.218 2241 G C 1.833 176.763 174.900 0.050 0.000 1.164 2241 G CA 0.742 45.878 45.100 0.060 0.000 0.768 2241 G HN 0.340 nan 8.290 nan 0.000 0.560 2242 L N -0.052 121.185 121.223 0.023 0.000 2.042 2242 L HA -0.065 4.297 4.340 0.036 0.000 0.210 2242 L C 2.877 179.770 176.870 0.039 0.000 1.076 2242 L CA 0.866 55.700 54.840 -0.010 0.000 0.749 2242 L CB -0.395 41.590 42.059 -0.124 0.000 0.893 2242 L HN 0.226 nan 8.230 nan 0.000 0.432 2243 I N -1.060 119.559 120.570 0.082 0.000 2.439 2243 I HA -0.260 3.932 4.170 0.036 0.000 0.251 2243 I C 2.570 178.745 176.117 0.098 0.000 1.139 2243 I CA 0.717 62.085 61.300 0.113 0.000 1.438 2243 I CB -0.215 37.879 38.000 0.156 0.000 1.085 2243 I HN 0.389 nan 8.210 nan 0.000 0.427 2244 C N 0.813 120.164 119.300 0.085 0.000 2.473 2244 C HA -0.098 4.384 4.460 0.036 0.000 0.279 2244 C C 2.672 177.723 174.990 0.102 0.000 1.250 2244 C CA 0.362 59.431 59.018 0.084 0.000 1.713 2244 C CB -0.830 26.953 27.740 0.071 0.000 2.066 2244 C HN 0.397 nan 8.230 nan 0.000 0.474 2245 I N 2.204 122.829 120.570 0.091 0.000 2.163 2245 I HA -0.214 3.977 4.170 0.036 0.000 0.243 2245 I C 2.762 178.948 176.117 0.115 0.000 1.085 2245 I CA 1.800 63.158 61.300 0.096 0.000 1.347 2245 I CB -0.728 37.317 38.000 0.075 0.000 1.044 2245 I HN 0.272 nan 8.210 nan 0.000 0.408 2246 A N 0.644 123.527 122.820 0.105 0.000 2.139 2246 A HA -0.119 4.222 4.320 0.036 0.000 0.221 2246 A C 2.302 180.000 177.584 0.190 0.000 1.159 2246 A CA 1.984 54.096 52.037 0.124 0.000 0.662 2246 A CB -1.156 17.901 19.000 0.094 0.000 0.796 2246 A HN 0.542 nan 8.150 nan 0.000 0.463 2247 G N -1.306 107.616 108.800 0.203 0.000 2.641 2247 G HA2 0.260 4.242 3.960 0.036 0.000 0.207 2247 G HA3 0.260 4.242 3.960 0.036 0.000 0.207 2247 G C 1.484 176.642 174.900 0.430 0.000 1.137 2247 G CA 0.914 46.212 45.100 0.330 0.000 0.824 2247 G HN 0.611 nan 8.290 nan 0.000 0.547 2248 G N 2.231 111.169 108.800 0.231 0.000 2.553 2248 G HA2 -0.324 3.658 3.960 0.036 0.000 0.218 2248 G HA3 -0.324 3.658 3.960 0.036 0.000 0.218 2248 G C 1.907 176.905 174.900 0.163 0.000 1.195 2248 G CA 1.494 46.687 45.100 0.156 0.000 0.779 2248 G HN 0.713 nan 8.290 nan 0.000 0.577 2249 I N -2.775 117.882 120.570 0.145 0.000 2.286 2249 I HA -0.113 4.079 4.170 0.036 0.000 0.248 2249 I C 2.486 178.638 176.117 0.058 0.000 1.115 2249 I CA 1.543 62.887 61.300 0.074 0.000 1.392 2249 I CB -0.552 37.492 38.000 0.072 0.000 1.065 2249 I HN 0.395 nan 8.210 nan 0.000 0.418 2250 W N 3.151 124.451 121.300 0.001 0.000 2.301 2250 W HA -0.301 4.381 4.660 0.037 0.000 0.325 2250 W C 2.436 178.820 176.519 -0.225 0.000 1.250 2250 W CA 2.583 59.850 57.345 -0.130 0.000 1.261 2250 W CB -0.977 28.345 29.460 -0.230 0.000 1.157 2250 W HN 0.356 nan 8.180 nan 0.000 0.473 2251 H N -0.046 119.069 119.070 0.076 0.000 2.423 2251 H HA -0.057 4.520 4.556 0.036 0.000 0.297 2251 H C 2.247 177.413 175.328 -0.270 0.000 1.075 2251 H CA 2.107 58.106 56.048 -0.082 0.000 1.342 2251 H CB -0.903 28.893 29.762 0.057 0.000 1.395 2251 H HN 0.159 nan 8.280 nan 0.000 0.530 2252 I N 0.451 120.940 120.570 -0.136 0.000 2.118 2252 I HA -0.300 3.892 4.170 0.036 0.000 0.241 2252 I C 1.837 177.781 176.117 -0.289 0.000 1.070 2252 I CA 1.537 62.664 61.300 -0.288 0.000 1.327 2252 I CB -0.348 37.468 38.000 -0.307 0.000 1.034 2252 I HN 0.212 nan 8.210 nan 0.000 0.405 2253 L N -0.539 120.497 121.223 -0.312 0.000 2.240 2253 L HA -0.003 4.359 4.340 0.036 0.000 0.211 2253 L C 0.548 177.153 176.870 -0.441 0.000 1.106 2253 L CA 0.680 55.314 54.840 -0.343 0.000 0.793 2253 L CB -0.620 41.238 42.059 -0.335 0.000 0.927 2253 L HN 0.216 nan 8.230 nan 0.000 0.446 2254 T N -0.625 113.572 114.554 -0.594 0.000 2.856 2254 T HA 0.348 4.720 4.350 0.036 0.000 0.283 2254 T C -0.062 174.361 174.700 -0.462 0.000 1.008 2254 T CA -0.376 61.344 62.100 -0.633 0.000 0.997 2254 T CB 2.307 70.553 68.868 -1.036 0.000 0.992 2254 T HN -0.139 nan 8.240 nan 0.000 0.454 2255 T N 4.869 119.168 114.554 -0.424 0.000 2.875 2255 T HA 0.458 4.830 4.350 0.036 0.000 0.284 2255 T C -2.171 172.263 174.700 -0.444 0.000 0.995 2255 T CA -1.170 60.714 62.100 -0.361 0.000 1.060 2255 T CB 0.804 69.478 68.868 -0.323 0.000 0.967 2255 T HN 0.413 nan 8.240 nan 0.000 0.476 2256 P HA 0.062 nan 4.420 nan 0.000 0.265 2256 P C -0.311 176.718 177.300 -0.453 0.000 1.187 2256 P CA 0.007 62.859 63.100 -0.414 0.000 0.766 2256 P CB 0.403 31.936 31.700 -0.279 0.000 0.820 2257 F N 0.336 120.108 119.950 -0.296 0.000 2.331 2257 F HA 0.217 4.766 4.527 0.036 0.000 0.293 2257 F C 2.359 177.973 175.800 -0.310 0.000 1.277 2257 F CA 0.241 58.101 58.000 -0.234 0.000 1.204 2257 F CB -0.296 38.670 39.000 -0.057 0.000 1.374 2257 F HN 0.364 nan 8.300 nan 0.000 0.520 2258 G N 0.583 109.470 108.800 0.145 0.000 2.453 2258 G HA2 -0.254 3.728 3.960 0.036 0.000 0.215 2258 G HA3 -0.254 3.728 3.960 0.036 0.000 0.215 2258 G C 1.362 176.296 174.900 0.057 0.000 1.201 2258 G CA 0.769 45.921 45.100 0.087 0.000 0.784 2258 G HN 0.867 nan 8.290 nan 0.000 0.545 2259 W N 1.515 122.879 121.300 0.107 0.000 2.305 2259 W HA -0.057 4.623 4.660 0.035 0.000 0.308 2259 W C 2.271 178.834 176.519 0.074 0.000 1.226 2259 W CA 1.601 58.993 57.345 0.079 0.000 1.253 2259 W CB -1.417 28.073 29.460 0.049 0.000 1.146 2259 W HN 0.344 nan 8.180 nan 0.000 0.507 2260 A N 1.731 124.014 122.820 -0.895 0.000 1.933 2260 A HA -0.159 4.183 4.320 0.036 0.000 0.218 2260 A C 2.235 179.656 177.584 -0.272 0.000 1.175 2260 A CA 1.947 53.432 52.037 -0.920 0.000 0.628 2260 A CB -0.804 17.422 19.000 -1.290 0.000 0.814 2260 A HN 0.386 nan 8.150 nan 0.000 0.444 2261 R N -0.635 119.838 120.500 -0.045 0.000 2.090 2261 R HA -0.034 4.328 4.340 0.036 0.000 0.228 2261 R C 2.012 178.511 176.300 0.332 0.000 1.110 2261 R CA 1.397 57.667 56.100 0.284 0.000 0.973 2261 R CB -0.208 30.134 30.300 0.070 0.000 0.869 2261 R HN 0.481 nan 8.270 nan 0.000 0.440 2262 R N -0.043 120.575 120.500 0.197 0.000 2.299 2262 R HA 0.157 4.519 4.340 0.036 0.000 0.197 2262 R C 1.647 178.072 176.300 0.209 0.000 0.971 2262 R CA 0.657 56.875 56.100 0.196 0.000 1.030 2262 R CB 0.246 30.643 30.300 0.162 0.000 0.932 2262 R HN 0.156 nan 8.270 nan 0.000 0.477 2263 A N 0.845 123.817 122.820 0.252 0.000 1.909 2263 A HA 0.250 4.591 4.320 0.036 0.000 0.209 2263 A C 0.588 178.382 177.584 0.350 0.000 1.247 2263 A CA 0.073 52.302 52.037 0.320 0.000 0.660 2263 A CB 0.084 19.350 19.000 0.443 0.000 0.910 2263 A HN 0.087 nan 8.150 nan 0.000 0.465 2264 F N 0.278 120.144 119.950 -0.140 0.000 2.371 2264 F HA 0.460 5.011 4.527 0.039 0.000 0.329 2264 F C 0.607 176.110 175.800 -0.494 0.000 1.107 2264 F CA -0.801 56.964 58.000 -0.391 0.000 1.137 2264 F CB 0.782 39.254 39.000 -0.880 0.000 1.214 2264 F HN 0.061 nan 8.300 nan 0.000 0.536 2265 I N 0.163 120.560 120.570 -0.288 0.000 3.502 2265 I HA 0.069 4.261 4.170 0.036 0.000 0.302 2265 I C -0.468 175.329 176.117 -0.533 0.000 1.170 2265 I CA -0.359 60.817 61.300 -0.206 0.000 0.953 2265 I CB 1.187 39.147 38.000 -0.067 0.000 1.475 2265 I HN 0.744 nan 8.210 nan 0.000 0.657 2266 W N 0.430 121.881 121.300 0.252 0.000 1.762 2266 W HA 0.256 4.940 4.660 0.040 0.000 0.260 2266 W C 0.709 177.199 176.519 -0.049 0.000 0.846 2266 W CA -0.135 57.450 57.345 0.400 0.000 1.326 2266 W CB 0.031 29.668 29.460 0.295 0.000 1.010 2266 W HN 0.206 nan 8.180 nan 0.000 0.482 2267 S N 0.392 116.044 115.700 -0.080 0.000 2.587 2267 S HA 0.345 4.837 4.470 0.036 0.000 0.260 2267 S C 1.624 175.594 174.600 -1.050 0.000 1.353 2267 S CA 0.834 58.782 58.200 -0.421 0.000 0.995 2267 S CB 0.890 63.913 63.200 -0.294 0.000 0.912 2267 S HN 0.306 nan 8.310 nan 0.000 0.568 2268 G N 0.543 108.492 108.800 -1.418 0.000 2.394 2268 G HA2 -0.133 3.849 3.960 0.036 0.000 0.215 2268 G HA3 -0.133 3.849 3.960 0.036 0.000 0.215 2268 G C 1.214 175.502 174.900 -1.020 0.000 1.165 2268 G CA 0.834 44.689 45.100 -2.076 0.000 0.784 2268 G HN 0.843 nan 8.290 nan 0.000 0.535 2269 E N 0.458 120.253 120.200 -0.674 0.000 2.110 2269 E HA -0.043 4.329 4.350 0.036 0.000 0.193 2269 E C 2.701 179.068 176.600 -0.389 0.000 0.988 2269 E CA 0.937 57.083 56.400 -0.423 0.000 0.804 2269 E CB -0.218 29.296 29.700 -0.312 0.000 0.745 2269 E HN 0.339 nan 8.360 nan 0.000 0.458 2270 A N 0.122 122.695 122.820 -0.412 0.000 2.019 2270 A HA -0.162 4.180 4.320 0.036 0.000 0.219 2270 A C 1.782 178.977 177.584 -0.649 0.000 1.164 2270 A CA 1.108 52.857 52.037 -0.480 0.000 0.644 2270 A CB -0.838 17.955 19.000 -0.345 0.000 0.805 2270 A HN 0.511 nan 8.150 nan 0.000 0.449 2271 Y N -1.709 118.265 120.300 -0.542 0.000 2.439 2271 Y HA -0.069 4.503 4.550 0.035 0.000 0.292 2271 Y C 2.198 177.983 175.900 -0.193 0.000 1.130 2271 Y CA 0.213 58.176 58.100 -0.229 0.000 1.254 2271 Y CB 0.001 38.430 38.460 -0.052 0.000 1.000 2271 Y HN 0.357 nan 8.280 nan 0.000 0.554 2272 L N -0.539 120.615 121.223 -0.116 0.000 2.095 2272 L HA -0.133 4.229 4.340 0.036 0.000 0.204 2272 L C 2.348 179.146 176.870 -0.120 0.000 1.080 2272 L CA 1.456 56.224 54.840 -0.119 0.000 0.759 2272 L CB -0.779 41.136 42.059 -0.241 0.000 0.914 2272 L HN -0.081 nan 8.230 nan 0.000 0.439 2273 S N -1.164 114.395 115.700 -0.234 0.000 2.374 2273 S HA -0.243 4.248 4.470 0.036 0.000 0.227 2273 S C 1.807 176.424 174.600 0.028 0.000 1.037 2273 S CA 1.866 59.970 58.200 -0.161 0.000 1.024 2273 S CB -0.553 62.422 63.200 -0.374 0.000 0.861 2273 S HN 0.537 nan 8.310 nan 0.000 0.456 2274 Y N 1.538 121.850 120.300 0.019 0.000 2.060 2274 Y HA -0.173 4.398 4.550 0.035 0.000 0.276 2274 Y C 3.083 178.979 175.900 -0.007 0.000 1.127 2274 Y CA 0.990 59.071 58.100 -0.031 0.000 1.104 2274 Y CB -0.757 37.644 38.460 -0.098 0.000 0.983 2274 Y HN 0.167 nan 8.280 nan 0.000 0.483 2275 S N 0.437 116.247 115.700 0.184 0.000 2.374 2275 S HA -0.227 4.265 4.470 0.036 0.000 0.227 2275 S C 1.897 176.556 174.600 0.099 0.000 1.037 2275 S CA 1.447 59.714 58.200 0.112 0.000 1.024 2275 S CB -0.691 62.565 63.200 0.092 0.000 0.861 2275 S HN 0.222 nan 8.310 nan 0.000 0.456 2276 L N 1.903 123.177 121.223 0.085 0.000 1.956 2276 L HA -0.075 4.287 4.340 0.036 0.000 0.216 2276 L C 2.488 179.436 176.870 0.131 0.000 1.073 2276 L CA 2.279 57.172 54.840 0.088 0.000 0.762 2276 L CB -1.510 40.572 42.059 0.038 0.000 0.889 2276 L HN 0.360 nan 8.230 nan 0.000 0.433 2277 G N -1.838 107.006 108.800 0.074 0.000 2.470 2277 G HA2 -0.168 3.814 3.960 0.036 0.000 0.220 2277 G HA3 -0.168 3.814 3.960 0.036 0.000 0.220 2277 G C 1.550 176.389 174.900 -0.102 0.000 1.121 2277 G CA 0.859 45.878 45.100 -0.134 0.000 0.766 2277 G HN 0.665 nan 8.290 nan 0.000 0.553 2278 A N 0.856 123.662 122.820 -0.022 0.000 1.858 2278 A HA 0.085 4.427 4.320 0.036 0.000 0.216 2278 A C 2.377 179.973 177.584 0.020 0.000 1.190 2278 A CA 1.157 53.191 52.037 -0.005 0.000 0.617 2278 A CB -0.417 18.600 19.000 0.028 0.000 0.827 2278 A HN 0.338 nan 8.150 nan 0.000 0.443 2279 L N -0.510 120.757 121.223 0.074 0.000 2.131 2279 L HA -0.154 4.207 4.340 0.036 0.000 0.210 2279 L C 2.887 179.782 176.870 0.042 0.000 1.092 2279 L CA 1.389 56.273 54.840 0.073 0.000 0.759 2279 L CB -0.531 41.617 42.059 0.148 0.000 0.903 2279 L HN 0.533 nan 8.230 nan 0.000 0.435 2280 S N 0.200 115.949 115.700 0.082 0.000 2.348 2280 S HA -0.282 4.210 4.470 0.036 0.000 0.221 2280 S C 2.083 176.650 174.600 -0.055 0.000 1.033 2280 S CA 1.783 60.009 58.200 0.043 0.000 1.010 2280 S CB -0.186 63.024 63.200 0.017 0.000 0.891 2280 S HN 0.366 nan 8.310 nan 0.000 0.442 2281 M N 0.727 120.246 119.600 -0.135 0.000 2.110 2281 M HA -0.212 4.290 4.480 0.036 0.000 0.257 2281 M C 2.169 178.464 176.300 -0.007 0.000 1.071 2281 M CA 2.340 57.544 55.300 -0.160 0.000 1.096 2281 M CB -0.347 32.195 32.600 -0.096 0.000 1.300 2281 M HN 0.419 nan 8.290 nan 0.000 0.411 2282 M N -0.400 119.212 119.600 0.021 0.000 2.149 2282 M HA -0.126 4.375 4.480 0.036 0.000 0.261 2282 M C 2.227 178.574 176.300 0.078 0.000 1.064 2282 M CA 1.714 57.045 55.300 0.051 0.000 1.102 2282 M CB -1.123 31.498 32.600 0.035 0.000 1.369 2282 M HN 0.615 nan 8.290 nan 0.000 0.408 2283 G N 0.245 109.090 108.800 0.075 0.000 2.476 2283 G HA2 -0.229 3.753 3.960 0.036 0.000 0.218 2283 G HA3 -0.229 3.753 3.960 0.036 0.000 0.218 2283 G C 1.177 176.149 174.900 0.120 0.000 1.164 2283 G CA 0.917 46.064 45.100 0.078 0.000 0.768 2283 G HN 0.263 nan 8.290 nan 0.000 0.560 2284 F N 1.081 120.943 119.950 -0.146 0.000 2.046 2284 F HA -0.006 4.535 4.527 0.023 0.000 0.297 2284 F C 2.765 178.522 175.800 -0.072 0.000 1.123 2284 F CA 0.512 58.415 58.000 -0.162 0.000 1.199 2284 F CB -0.758 38.137 39.000 -0.175 0.000 0.972 2284 F HN 0.021 nan 8.300 nan 0.000 0.474 2285 I N 0.258 120.919 120.570 0.150 0.000 2.280 2285 I HA -0.476 3.715 4.170 0.036 0.000 0.226 2285 I C 2.656 178.861 176.117 0.146 0.000 0.970 2285 I CA 1.992 63.338 61.300 0.077 0.000 1.279 2285 I CB -1.557 36.490 38.000 0.078 0.000 0.984 2285 I HN 0.178 nan 8.210 nan 0.000 0.382 2286 A N 0.279 123.182 122.820 0.137 0.000 1.903 2286 A HA -0.284 4.058 4.320 0.036 0.000 0.219 2286 A C 2.343 180.039 177.584 0.188 0.000 1.191 2286 A CA 3.077 55.188 52.037 0.123 0.000 0.638 2286 A CB -1.359 17.657 19.000 0.025 0.000 0.823 2286 A HN 0.592 nan 8.150 nan 0.000 0.451 2287 T N -0.431 114.203 114.554 0.133 0.000 2.570 2287 T HA -0.282 4.090 4.350 0.036 0.000 0.266 2287 T C 1.905 176.705 174.700 0.167 0.000 1.071 2287 T CA 1.867 64.049 62.100 0.136 0.000 1.172 2287 T CB -0.987 67.930 68.868 0.081 0.000 0.864 2287 T HN 0.618 nan 8.240 nan 0.000 0.421 2288 C N 0.504 119.849 119.300 0.074 0.000 2.401 2288 C HA -0.086 4.395 4.460 0.036 0.000 0.276 2288 C C 2.333 177.347 174.990 0.041 0.000 1.233 2288 C CA 0.336 59.323 59.018 -0.051 0.000 1.753 2288 C CB -1.623 25.987 27.740 -0.217 0.000 2.029 2288 C HN 0.580 nan 8.230 nan 0.000 0.478 2289 F N 0.753 120.677 119.950 -0.044 0.000 2.202 2289 F HA -0.178 4.370 4.527 0.035 0.000 0.301 2289 F C 2.300 178.181 175.800 0.134 0.000 1.082 2289 F CA 1.362 59.346 58.000 -0.027 0.000 1.313 2289 F CB 0.006 38.956 39.000 -0.082 0.000 1.024 2289 F HN 0.013 nan 8.300 nan 0.000 0.495 2290 V N -0.439 119.794 119.914 0.532 0.000 2.323 2290 V HA -0.325 3.816 4.120 0.036 0.000 0.244 2290 V C 2.069 178.506 176.094 0.572 0.000 1.041 2290 V CA 1.879 64.518 62.300 0.566 0.000 1.025 2290 V CB -0.784 31.248 31.823 0.350 0.000 0.656 2290 V HN 0.589 nan 8.190 nan 0.000 0.451 2291 W N 0.250 121.755 121.300 0.341 0.000 2.355 2291 W HA -0.111 4.576 4.660 0.045 0.000 0.309 2291 W C 0.540 177.335 176.519 0.462 0.000 1.206 2291 W CA 0.941 58.517 57.345 0.384 0.000 1.284 2291 W CB -0.118 29.656 29.460 0.524 0.000 1.145 2291 W HN 0.222 nan 8.180 nan 0.000 0.502 2292 F N 2.300 122.452 119.950 0.337 0.000 2.309 2292 F HA 0.255 4.804 4.527 0.036 0.000 0.366 2292 F C 0.254 176.151 175.800 0.162 0.000 1.104 2292 F CA -0.758 57.361 58.000 0.198 0.000 1.179 2292 F CB -0.387 38.701 39.000 0.147 0.000 1.437 2292 F HN -0.244 nan 8.300 nan 0.000 0.528 2293 N N 3.604 122.514 118.700 0.349 0.000 2.518 2293 N HA 0.110 4.872 4.740 0.036 0.000 0.266 2293 N C -0.748 174.915 175.510 0.255 0.000 1.196 2293 N CA -0.098 53.152 53.050 0.334 0.000 0.947 2293 N CB 0.826 39.528 38.487 0.358 0.000 1.098 2293 N HN 0.656 nan 8.380 nan 0.000 0.450 2294 N N -0.028 118.809 118.700 0.227 0.000 2.384 2294 N HA 0.173 4.935 4.740 0.036 0.000 0.301 2294 N C 0.685 176.352 175.510 0.262 0.000 1.133 2294 N CA -0.701 52.458 53.050 0.182 0.000 0.853 2294 N CB 1.266 39.801 38.487 0.080 0.000 1.241 2294 N HN 0.349 nan 8.380 nan 0.000 0.502 2295 T N -0.051 114.707 114.554 0.340 0.000 2.795 2295 T HA -0.182 4.190 4.350 0.036 0.000 0.266 2295 T C 1.939 176.779 174.700 0.233 0.000 1.056 2295 T CA 1.152 63.461 62.100 0.349 0.000 1.141 2295 T CB -0.295 68.876 68.868 0.505 0.000 0.840 2295 T HN 0.357 nan 8.240 nan 0.000 0.493 2296 V N -0.729 119.310 119.914 0.207 0.000 2.469 2296 V HA -0.161 3.981 4.120 0.036 0.000 0.251 2296 V C 1.400 177.692 176.094 0.330 0.000 1.064 2296 V CA 1.373 63.782 62.300 0.181 0.000 1.066 2296 V CB -0.869 30.999 31.823 0.075 0.000 0.667 2296 V HN 0.658 nan 8.190 nan 0.000 0.461 2297 Y N 1.354 121.761 120.300 0.178 0.000 2.764 2297 Y HA 0.281 4.852 4.550 0.035 0.000 0.350 2297 Y C -1.890 174.004 175.900 -0.009 0.000 0.982 2297 Y CA -2.629 55.618 58.100 0.245 0.000 1.431 2297 Y CB 0.342 39.103 38.460 0.502 0.000 1.326 2297 Y HN 0.273 nan 8.280 nan 0.000 0.550 2298 P HA -0.172 nan 4.420 nan 0.000 0.252 2298 P C 0.799 177.900 177.300 -0.331 0.000 1.136 2298 P CA 0.912 63.856 63.100 -0.260 0.000 0.778 2298 P CB 0.737 32.157 31.700 -0.466 0.000 0.722 2299 S N 2.133 117.786 115.700 -0.079 0.000 2.520 2299 S HA -0.197 4.295 4.470 0.036 0.000 0.249 2299 S C 1.245 175.792 174.600 -0.089 0.000 0.983 2299 S CA 0.935 59.100 58.200 -0.058 0.000 0.958 2299 S CB -0.781 62.408 63.200 -0.019 0.000 0.750 2299 S HN 0.525 nan 8.310 nan 0.000 0.527 2300 E N 0.513 120.654 120.200 -0.097 0.000 2.208 2300 E HA -0.002 4.370 4.350 0.036 0.000 0.193 2300 E C 1.321 178.209 176.600 0.480 0.000 0.988 2300 E CA 1.059 57.561 56.400 0.170 0.000 0.828 2300 E CB -0.261 29.527 29.700 0.147 0.000 0.763 2300 E HN 0.794 nan 8.360 nan 0.000 0.478 2301 F N -0.987 118.974 119.950 0.018 0.000 2.453 2301 F HA 0.104 4.653 4.527 0.036 0.000 0.284 2301 F C 2.025 177.977 175.800 0.253 0.000 1.065 2301 F CA -0.161 57.860 58.000 0.034 0.000 1.411 2301 F CB -0.150 38.681 39.000 -0.282 0.000 1.131 2301 F HN -0.080 nan 8.300 nan 0.000 0.582 2302 Y N 1.245 121.653 120.300 0.179 0.000 2.314 2302 Y HA 0.195 4.767 4.550 0.038 0.000 0.293 2302 Y C 1.588 177.411 175.900 -0.128 0.000 1.129 2302 Y CA 0.363 58.480 58.100 0.028 0.000 1.201 2302 Y CB -0.203 38.196 38.460 -0.100 0.000 0.999 2302 Y HN 0.191 nan 8.280 nan 0.000 0.541 2303 G N -0.285 108.385 108.800 -0.218 0.000 2.318 2303 G HA2 -0.090 3.892 3.960 0.036 0.000 0.367 2303 G HA3 -0.090 3.892 3.960 0.036 0.000 0.367 2303 G C -3.173 171.349 174.900 -0.630 0.000 1.260 2303 G CA -0.979 43.611 45.100 -0.851 0.000 1.055 2303 G HN -0.105 nan 8.290 nan 0.000 0.484 2304 P HA 0.474 nan 4.420 nan 0.000 0.290 2304 P C -0.260 176.782 177.300 -0.429 0.000 1.283 2304 P CA -0.066 62.644 63.100 -0.650 0.000 0.869 2304 P CB 1.629 32.897 31.700 -0.720 0.000 1.100 2305 T N 1.352 115.688 114.554 -0.364 0.000 2.913 2305 T HA 0.222 4.594 4.350 0.036 0.000 0.297 2305 T C 1.946 176.260 174.700 -0.645 0.000 1.029 2305 T CA 0.442 62.268 62.100 -0.458 0.000 1.104 2305 T CB 0.466 69.169 68.868 -0.274 0.000 0.964 2305 T HN 0.569 nan 8.240 nan 0.000 0.532 2306 G N 3.718 111.968 108.800 -0.915 0.000 2.624 2306 G HA2 -0.226 3.756 3.960 0.036 0.000 0.221 2306 G HA3 -0.226 3.756 3.960 0.036 0.000 0.221 2306 G C -0.531 173.913 174.900 -0.760 0.000 1.169 2306 G CA 0.882 45.494 45.100 -0.813 0.000 0.771 2306 G HN 0.609 nan 8.290 nan 0.000 0.598 2307 P HA -0.001 nan 4.420 nan 0.000 0.218 2307 P C 1.473 178.256 177.300 -0.863 0.000 1.152 2307 P CA 1.103 63.508 63.100 -1.158 0.000 0.826 2307 P CB -0.009 31.255 31.700 -0.726 0.000 0.790 2308 E N 0.530 120.169 120.200 -0.934 0.000 2.068 2308 E HA -0.254 4.118 4.350 0.036 0.000 0.207 2308 E C 2.175 178.615 176.600 -0.266 0.000 1.032 2308 E CA 1.852 57.812 56.400 -0.733 0.000 0.839 2308 E CB -0.790 28.695 29.700 -0.357 0.000 0.758 2308 E HN 0.147 nan 8.360 nan 0.000 0.457 2309 A N 1.172 123.818 122.820 -0.290 0.000 1.870 2309 A HA -0.297 4.044 4.320 0.036 0.000 0.219 2309 A C 2.478 179.953 177.584 -0.180 0.000 1.224 2309 A CA 2.481 54.398 52.037 -0.201 0.000 0.650 2309 A CB -1.007 17.850 19.000 -0.239 0.000 0.836 2309 A HN 0.212 nan 8.150 nan 0.000 0.454 2310 S N -0.974 114.565 115.700 -0.268 0.000 2.354 2310 S HA -0.201 4.291 4.470 0.036 0.000 0.219 2310 S C 2.236 176.817 174.600 -0.031 0.000 1.035 2310 S CA 1.504 59.602 58.200 -0.170 0.000 1.037 2310 S CB -0.407 62.664 63.200 -0.215 0.000 0.956 2310 S HN 0.591 nan 8.310 nan 0.000 0.428 2311 Q N 0.565 120.381 119.800 0.027 0.000 2.152 2311 Q HA -0.145 4.217 4.340 0.036 0.000 0.206 2311 Q C 2.412 178.649 176.000 0.395 0.000 0.985 2311 Q CA 1.563 57.561 55.803 0.325 0.000 0.863 2311 Q CB -0.661 28.268 28.738 0.318 0.000 0.904 2311 Q HN 0.595 nan 8.270 nan 0.000 0.422 2312 A N 0.795 123.780 122.820 0.274 0.000 1.972 2312 A HA -0.247 4.095 4.320 0.036 0.000 0.219 2312 A C 2.024 179.583 177.584 -0.042 0.000 1.169 2312 A CA 1.766 53.853 52.037 0.083 0.000 0.635 2312 A CB -0.526 18.415 19.000 -0.100 0.000 0.810 2312 A HN 0.462 nan 8.150 nan 0.000 0.446 2313 Q N -0.679 119.087 119.800 -0.058 0.000 2.230 2313 Q HA 0.061 4.422 4.340 0.036 0.000 0.202 2313 Q C 1.983 177.882 176.000 -0.168 0.000 0.963 2313 Q CA 1.197 56.936 55.803 -0.107 0.000 0.866 2313 Q CB -0.309 28.323 28.738 -0.178 0.000 0.931 2313 Q HN 0.576 nan 8.270 nan 0.000 0.452 2314 A N 1.267 123.951 122.820 -0.227 0.000 1.825 2314 A HA -0.191 4.150 4.320 0.036 0.000 0.214 2314 A C 2.138 179.383 177.584 -0.564 0.000 1.206 2314 A CA 1.453 53.195 52.037 -0.491 0.000 0.609 2314 A CB -0.875 17.647 19.000 -0.797 0.000 0.851 2314 A HN 0.617 nan 8.150 nan 0.000 0.445 2315 M N -0.238 118.971 119.600 -0.652 0.000 2.108 2315 M HA -0.204 4.298 4.480 0.036 0.000 0.257 2315 M C 1.938 178.205 176.300 -0.055 0.000 1.071 2315 M CA 2.495 57.667 55.300 -0.214 0.000 1.093 2315 M CB -0.575 32.196 32.600 0.286 0.000 1.345 2315 M HN 0.416 nan 8.290 nan 0.000 0.403 2316 T N 0.374 114.918 114.554 -0.016 0.000 2.803 2316 T HA -0.134 4.237 4.350 0.036 0.000 0.269 2316 T C 1.102 175.848 174.700 0.076 0.000 1.052 2316 T CA 1.490 63.600 62.100 0.017 0.000 1.136 2316 T CB -0.365 68.533 68.868 0.049 0.000 0.864 2316 T HN 0.389 nan 8.240 nan 0.000 0.467 2317 F N 0.270 120.158 119.950 -0.105 0.000 2.664 2317 F HA 0.360 4.909 4.527 0.037 0.000 0.296 2317 F C 1.844 177.641 175.800 -0.005 0.000 1.125 2317 F CA -0.507 57.475 58.000 -0.029 0.000 1.444 2317 F CB -0.579 38.432 39.000 0.018 0.000 1.114 2317 F HN 0.092 nan 8.300 nan 0.000 0.576 2318 L N -0.284 120.995 121.223 0.094 0.000 1.994 2318 L HA -0.243 4.119 4.340 0.036 0.000 0.208 2318 L C 2.308 179.112 176.870 -0.110 0.000 1.071 2318 L CA 1.493 56.276 54.840 -0.095 0.000 0.745 2318 L CB -0.611 41.420 42.059 -0.045 0.000 0.892 2318 L HN 0.076 nan 8.230 nan 0.000 0.431 2319 I N -0.663 119.867 120.570 -0.067 0.000 2.069 2319 I HA -0.384 3.808 4.170 0.036 0.000 0.237 2319 I C 2.774 178.825 176.117 -0.110 0.000 1.053 2319 I CA 1.479 62.729 61.300 -0.084 0.000 1.311 2319 I CB -0.563 37.384 38.000 -0.087 0.000 1.030 2319 I HN 0.245 nan 8.210 nan 0.000 0.398 2320 R N 1.024 121.435 120.500 -0.149 0.000 2.134 2320 R HA -0.265 4.096 4.340 0.036 0.000 0.248 2320 R C 1.821 178.045 176.300 -0.127 0.000 1.143 2320 R CA 2.708 58.693 56.100 -0.191 0.000 0.957 2320 R CB -0.323 29.758 30.300 -0.365 0.000 0.867 2320 R HN 0.415 nan 8.270 nan 0.000 0.441 2321 D N -0.531 119.814 120.400 -0.092 0.000 2.162 2321 D HA -0.137 4.525 4.640 0.036 0.000 0.203 2321 D C 1.853 178.098 176.300 -0.092 0.000 0.967 2321 D CA 0.772 54.731 54.000 -0.067 0.000 0.840 2321 D CB -0.336 40.432 40.800 -0.052 0.000 0.972 2321 D HN 0.187 nan 8.370 nan 0.000 0.482 2322 Q N 0.985 120.714 119.800 -0.117 0.000 2.181 2322 Q HA -0.108 4.253 4.340 0.036 0.000 0.205 2322 Q C 1.449 177.405 176.000 -0.073 0.000 0.980 2322 Q CA 1.473 57.215 55.803 -0.102 0.000 0.862 2322 Q CB -0.001 28.681 28.738 -0.095 0.000 0.905 2322 Q HN 0.175 nan 8.270 nan 0.000 0.429 2323 K N -0.769 119.586 120.400 -0.074 0.000 2.432 2323 K HA 0.061 4.403 4.320 0.036 0.000 0.196 2323 K C 0.801 177.369 176.600 -0.053 0.000 1.038 2323 K CA 0.359 56.609 56.287 -0.061 0.000 0.986 2323 K CB 0.259 32.717 32.500 -0.070 0.000 0.782 2323 K HN 0.246 nan 8.250 nan 0.000 0.485 2324 L N 0.098 121.289 121.223 -0.053 0.000 2.741 2324 L HA 0.180 4.542 4.340 0.036 0.000 0.237 2324 L C 0.622 177.472 176.870 -0.033 0.000 1.178 2324 L CA -0.114 54.702 54.840 -0.039 0.000 0.973 2324 L CB 0.269 42.308 42.059 -0.034 0.000 1.255 2324 L HN 0.308 nan 8.230 nan 0.000 0.498 2325 G N 1.036 109.812 108.800 -0.040 0.000 2.198 2325 G HA2 -0.282 3.700 3.960 0.036 0.000 0.260 2325 G HA3 -0.282 3.700 3.960 0.036 0.000 0.260 2325 G C 0.349 175.227 174.900 -0.036 0.000 1.025 2325 G CA 0.279 45.358 45.100 -0.035 0.000 0.769 2325 G HN 0.511 nan 8.290 nan 0.000 0.507 2326 A N -0.104 122.684 122.820 -0.053 0.000 2.363 2326 A HA 0.612 4.954 4.320 0.036 0.000 0.270 2326 A C 0.606 178.140 177.584 -0.083 0.000 1.121 2326 A CA -0.251 51.752 52.037 -0.056 0.000 0.800 2326 A CB 0.469 19.431 19.000 -0.062 0.000 1.052 2326 A HN 0.498 nan 8.150 nan 0.000 0.493 2327 N N 3.061 121.731 118.700 -0.049 0.000 2.402 2327 N HA 0.102 4.864 4.740 0.036 0.000 0.252 2327 N C 0.811 176.287 175.510 -0.058 0.000 1.118 2327 N CA -0.152 52.872 53.050 -0.044 0.000 0.945 2327 N CB 1.095 39.576 38.487 -0.010 0.000 1.147 2327 N HN 0.297 nan 8.380 nan 0.000 0.495 2328 V N 3.486 123.334 119.914 -0.110 0.000 2.759 2328 V HA -0.091 4.051 4.120 0.036 0.000 0.256 2328 V C 2.222 178.332 176.094 0.027 0.000 1.080 2328 V CA 1.922 64.145 62.300 -0.128 0.000 1.101 2328 V CB -0.568 31.154 31.823 -0.169 0.000 0.698 2328 V HN 0.746 nan 8.190 nan 0.000 0.477 2329 G N 0.357 109.173 108.800 0.027 0.000 2.408 2329 G HA2 -0.144 3.838 3.960 0.036 0.000 0.215 2329 G HA3 -0.144 3.838 3.960 0.036 0.000 0.215 2329 G C 1.550 176.486 174.900 0.059 0.000 1.156 2329 G CA 0.937 46.066 45.100 0.050 0.000 0.793 2329 G HN 0.653 nan 8.290 nan 0.000 0.535 2330 S N 0.153 115.885 115.700 0.052 0.000 2.577 2330 S HA 0.612 5.104 4.470 0.036 0.000 0.219 2330 S C 1.100 175.745 174.600 0.076 0.000 0.962 2330 S CA 0.185 58.416 58.200 0.053 0.000 0.921 2330 S CB 0.300 63.521 63.200 0.035 0.000 0.789 2330 S HN 0.531 nan 8.310 nan 0.000 0.497 2331 A N 1.484 124.379 122.820 0.124 0.000 2.531 2331 A HA 0.316 4.658 4.320 0.036 0.000 0.236 2331 A C 0.300 177.948 177.584 0.107 0.000 1.062 2331 A CA 0.055 52.196 52.037 0.173 0.000 0.760 2331 A CB 0.112 19.344 19.000 0.387 0.000 0.995 2331 A HN 0.529 nan 8.150 nan 0.000 0.501 2332 Q N 1.709 121.552 119.800 0.072 0.000 2.533 2332 Q HA 0.417 4.779 4.340 0.036 0.000 0.251 2332 Q C 0.123 176.127 176.000 0.007 0.000 0.966 2332 Q CA -0.324 55.498 55.803 0.033 0.000 0.714 2332 Q CB 1.292 30.047 28.738 0.027 0.000 1.284 2332 Q HN 1.035 nan 8.270 nan 0.000 0.478 2333 G N 3.104 111.891 108.800 -0.021 0.000 2.544 2333 G HA2 0.135 4.117 3.960 0.036 0.000 0.242 2333 G HA3 0.135 4.117 3.960 0.036 0.000 0.242 2333 G C -1.294 173.587 174.900 -0.030 0.000 1.247 2333 G CA -0.847 44.224 45.100 -0.048 0.000 0.840 2333 G HN 0.510 nan 8.290 nan 0.000 0.578 2334 P HA -0.176 nan 4.420 nan 0.000 0.219 2334 P C 1.338 178.626 177.300 -0.020 0.000 1.147 2334 P CA 1.588 64.674 63.100 -0.022 0.000 0.821 2334 P CB 0.098 31.783 31.700 -0.025 0.000 0.771 2335 T N -2.401 112.139 114.554 -0.024 0.000 3.051 2335 T HA 0.287 4.658 4.350 0.036 0.000 0.255 2335 T C 1.491 176.182 174.700 -0.014 0.000 1.085 2335 T CA 0.896 62.984 62.100 -0.019 0.000 1.109 2335 T CB -0.156 68.698 68.868 -0.023 0.000 0.921 2335 T HN 0.324 nan 8.240 nan 0.000 0.488 2336 G N 1.112 109.905 108.800 -0.012 0.000 2.144 2336 G HA2 -0.182 3.800 3.960 0.036 0.000 0.218 2336 G HA3 -0.182 3.800 3.960 0.036 0.000 0.218 2336 G C 0.600 175.497 174.900 -0.005 0.000 0.988 2336 G CA -0.092 45.004 45.100 -0.006 0.000 0.659 2336 G HN 0.507 nan 8.290 nan 0.000 0.522 2337 L N 0.800 122.017 121.223 -0.010 0.000 2.667 2337 L HA 0.456 4.817 4.340 0.036 0.000 0.232 2337 L C 1.496 178.368 176.870 0.003 0.000 1.138 2337 L CA 0.421 55.257 54.840 -0.007 0.000 0.921 2337 L CB -0.047 42.004 42.059 -0.014 0.000 1.180 2337 L HN 1.008 nan 8.230 nan 0.000 0.487 2338 G N 0.982 109.786 108.800 0.006 0.000 3.277 2338 G HA2 -0.258 3.724 3.960 0.036 0.000 0.684 2338 G HA3 -0.258 3.724 3.960 0.036 0.000 0.684 2338 G C 0.441 175.324 174.900 -0.029 0.000 0.923 2338 G CA -0.151 44.968 45.100 0.031 0.000 0.779 2338 G HN 0.301 nan 8.290 nan 0.000 0.508 2339 K N 1.609 121.930 120.400 -0.131 0.000 2.009 2339 K HA -0.187 4.155 4.320 0.036 0.000 0.210 2339 K C 1.913 178.233 176.600 -0.468 0.000 1.049 2339 K CA 2.436 58.461 56.287 -0.438 0.000 0.929 2339 K CB -0.107 31.854 32.500 -0.900 0.000 0.714 2339 K HN 0.723 nan 8.250 nan 0.000 0.440 2340 Y N 0.091 120.419 120.300 0.046 0.000 2.301 2340 Y HA 0.210 4.782 4.550 0.037 0.000 0.295 2340 Y C 1.034 177.047 175.900 0.189 0.000 1.126 2340 Y CA -0.013 58.139 58.100 0.086 0.000 1.154 2340 Y CB 0.138 38.643 38.460 0.074 0.000 1.075 2340 Y HN -0.158 nan 8.280 nan 0.000 0.534 2341 L N 2.038 123.449 121.223 0.313 0.000 2.341 2341 L HA 0.536 4.897 4.340 0.036 0.000 0.278 2341 L C -0.302 176.638 176.870 0.116 0.000 1.005 2341 L CA -0.670 54.303 54.840 0.221 0.000 0.818 2341 L CB 1.883 44.056 42.059 0.191 0.000 1.259 2341 L HN 0.233 nan 8.230 nan 0.000 0.418 2342 M N 1.859 121.503 119.600 0.073 0.000 3.502 2342 M HA 0.726 5.228 4.480 0.036 0.000 0.310 2342 M C -1.316 174.960 176.300 -0.040 0.000 1.458 2342 M CA -0.975 54.333 55.300 0.013 0.000 0.782 2342 M CB 2.085 34.687 32.600 0.003 0.000 1.942 2342 M HN 0.413 nan 8.290 nan 0.000 0.438 2343 R N 0.591 121.037 120.500 -0.089 0.000 2.960 2343 R HA 0.868 5.230 4.340 0.036 0.000 0.249 2343 R C -1.012 175.113 176.300 -0.291 0.000 1.192 2343 R CA -0.256 55.743 56.100 -0.169 0.000 1.035 2343 R CB 0.789 31.006 30.300 -0.138 0.000 1.234 2343 R HN 0.865 nan 8.270 nan 0.000 0.493 2344 S N -1.242 114.188 115.700 -0.449 0.000 2.566 2344 S HA 0.489 4.981 4.470 0.036 0.000 0.298 2344 S C -2.055 172.301 174.600 -0.406 0.000 1.083 2344 S CA -1.539 56.248 58.200 -0.688 0.000 0.978 2344 S CB 2.022 64.272 63.200 -1.584 0.000 1.073 2344 S HN 0.490 nan 8.310 nan 0.000 0.491 2345 P HA -0.186 nan 4.420 nan 0.000 0.219 2345 P C 1.217 178.453 177.300 -0.107 0.000 1.151 2345 P CA 2.101 65.124 63.100 -0.129 0.000 0.850 2345 P CB -0.271 31.398 31.700 -0.051 0.000 0.784 2346 T N -5.561 108.911 114.554 -0.137 0.000 3.235 2346 T HA 0.386 4.758 4.350 0.036 0.000 0.251 2346 T C 1.154 175.791 174.700 -0.106 0.000 1.060 2346 T CA 0.121 62.175 62.100 -0.076 0.000 0.949 2346 T CB -0.997 67.869 68.868 -0.003 0.000 1.020 2346 T HN 0.269 nan 8.240 nan 0.000 0.564 2347 G N 0.811 109.518 108.800 -0.156 0.000 2.256 2347 G HA2 -0.165 3.817 3.960 0.036 0.000 0.272 2347 G HA3 -0.165 3.817 3.960 0.036 0.000 0.272 2347 G C -0.391 174.428 174.900 -0.136 0.000 1.076 2347 G CA 0.005 45.025 45.100 -0.133 0.000 0.882 2347 G HN 0.630 nan 8.290 nan 0.000 0.497 2348 E N -1.108 118.965 120.200 -0.212 0.000 2.390 2348 E HA 0.792 5.164 4.350 0.036 0.000 0.249 2348 E C 0.734 177.238 176.600 -0.159 0.000 0.981 2348 E CA -0.904 55.401 56.400 -0.157 0.000 0.860 2348 E CB 1.028 30.643 29.700 -0.142 0.000 1.278 2348 E HN 0.292 nan 8.360 nan 0.000 0.416 2349 I N 1.341 121.851 120.570 -0.099 0.000 2.392 2349 I HA 0.444 4.636 4.170 0.036 0.000 0.295 2349 I C -0.490 175.579 176.117 -0.080 0.000 0.985 2349 I CA -0.324 60.932 61.300 -0.073 0.000 1.221 2349 I CB 0.584 38.563 38.000 -0.035 0.000 1.366 2349 I HN 0.243 nan 8.210 nan 0.000 0.467 2350 I N 4.330 124.867 120.570 -0.054 0.000 2.918 2350 I HA 0.302 4.494 4.170 0.036 0.000 0.301 2350 I C -0.654 175.535 176.117 0.120 0.000 1.312 2350 I CA -0.518 60.771 61.300 -0.018 0.000 1.007 2350 I CB 2.045 40.071 38.000 0.044 0.000 1.281 2350 I HN 0.291 nan 8.210 nan 0.000 0.440 2351 F N 2.271 122.312 119.950 0.151 0.000 2.608 2351 F HA 0.256 4.804 4.527 0.035 0.000 0.380 2351 F C 1.418 177.279 175.800 0.102 0.000 1.083 2351 F CA -0.122 57.963 58.000 0.142 0.000 1.266 2351 F CB 0.542 39.644 39.000 0.171 0.000 1.076 2351 F HN 0.562 nan 8.300 nan 0.000 0.574 2352 G N 1.646 110.606 108.800 0.267 0.000 2.557 2352 G HA2 0.557 4.539 3.960 0.036 0.000 0.292 2352 G HA3 0.557 4.539 3.960 0.036 0.000 0.292 2352 G C -0.013 174.924 174.900 0.063 0.000 1.237 2352 G CA 0.008 45.177 45.100 0.116 0.000 0.978 2352 G HN 1.127 nan 8.290 nan 0.000 0.498 2353 G N -1.417 107.392 108.800 0.015 0.000 2.592 2353 G HA2 -0.162 3.820 3.960 0.036 0.000 0.684 2353 G HA3 -0.162 3.820 3.960 0.036 0.000 0.684 2353 G C 0.567 175.489 174.900 0.038 0.000 1.291 2353 G CA 0.288 45.381 45.100 -0.012 0.000 0.891 2353 G HN 0.620 nan 8.290 nan 0.000 0.544 2354 E N -0.921 119.300 120.200 0.035 0.000 2.219 2354 E HA -0.128 4.244 4.350 0.036 0.000 0.198 2354 E C 2.245 178.939 176.600 0.157 0.000 0.998 2354 E CA 1.310 57.753 56.400 0.072 0.000 0.818 2354 E CB -0.063 29.681 29.700 0.073 0.000 0.741 2354 E HN 0.504 nan 8.360 nan 0.000 0.477 2355 T N 0.880 115.560 114.554 0.210 0.000 3.541 2355 T HA -0.043 4.329 4.350 0.036 0.000 0.255 2355 T C 1.383 176.301 174.700 0.364 0.000 1.158 2355 T CA 0.182 62.515 62.100 0.389 0.000 1.000 2355 T CB -0.322 68.721 68.868 0.292 0.000 1.008 2355 T HN 0.244 nan 8.240 nan 0.000 0.568 2356 M N -0.396 119.333 119.600 0.215 0.000 2.541 2356 M HA 0.199 4.701 4.480 0.036 0.000 0.252 2356 M C 1.874 178.295 176.300 0.201 0.000 1.125 2356 M CA 0.476 55.891 55.300 0.191 0.000 1.091 2356 M CB -0.135 32.518 32.600 0.089 0.000 1.420 2356 M HN 0.134 nan 8.290 nan 0.000 0.486 2357 R N 0.342 120.839 120.500 -0.004 0.000 2.310 2357 R HA 0.145 4.506 4.340 0.036 0.000 0.202 2357 R C -0.365 175.650 176.300 -0.474 0.000 0.933 2357 R CA 0.301 56.253 56.100 -0.247 0.000 1.054 2357 R CB -0.405 29.599 30.300 -0.494 0.000 0.985 2357 R HN 0.387 nan 8.270 nan 0.000 0.489 2358 F N 1.094 121.163 119.950 0.199 0.000 2.881 2358 F HA 0.287 4.835 4.527 0.035 0.000 0.343 2358 F C 1.054 176.960 175.800 0.176 0.000 1.233 2358 F CA -1.522 56.543 58.000 0.108 0.000 1.262 2358 F CB 0.312 39.349 39.000 0.062 0.000 0.980 2358 F HN 0.110 nan 8.300 nan 0.000 0.506 2359 W N -0.674 120.738 121.300 0.186 0.000 2.800 2359 W HA 0.075 4.756 4.660 0.036 0.000 0.249 2359 W C -0.045 176.541 176.519 0.113 0.000 1.294 2359 W CA 0.363 57.787 57.345 0.133 0.000 1.402 2359 W CB -0.833 28.662 29.460 0.059 0.000 1.126 2359 W HN 0.140 nan 8.180 nan 0.000 0.652 2360 D N 0.775 120.748 120.400 -0.713 0.000 2.312 2360 D HA -0.083 4.579 4.640 0.036 0.000 0.211 2360 D C 0.585 176.745 176.300 -0.234 0.000 0.964 2360 D CA 0.450 54.013 54.000 -0.730 0.000 0.877 2360 D CB -0.492 39.944 40.800 -0.608 0.000 0.924 2360 D HN -0.017 nan 8.370 nan 0.000 0.515 2361 F N 2.200 122.070 119.950 -0.133 0.000 2.608 2361 F HA 0.139 4.687 4.527 0.035 0.000 0.380 2361 F C 0.263 176.015 175.800 -0.081 0.000 1.083 2361 F CA -0.075 57.886 58.000 -0.065 0.000 1.266 2361 F CB 0.333 39.321 39.000 -0.021 0.000 1.076 2361 F HN -0.299 nan 8.300 nan 0.000 0.574 2362 R N 4.198 123.877 120.500 -1.367 0.000 2.574 2362 R HA 0.654 5.016 4.340 0.036 0.000 0.288 2362 R C -0.527 175.210 176.300 -0.939 0.000 1.004 2362 R CA -0.905 54.609 56.100 -0.977 0.000 0.895 2362 R CB 1.884 31.963 30.300 -0.367 0.000 1.191 2362 R HN 0.905 nan 8.270 nan 0.000 0.444 2363 G N 1.698 110.067 108.800 -0.718 0.000 2.708 2363 G HA2 0.408 4.390 3.960 0.036 0.000 0.289 2363 G HA3 0.408 4.390 3.960 0.036 0.000 0.289 2363 G C -2.562 172.106 174.900 -0.386 0.000 1.416 2363 G CA -1.195 43.616 45.100 -0.481 0.000 0.829 2363 G HN 0.207 nan 8.290 nan 0.000 0.480 2364 P HA -0.022 nan 4.420 nan 0.000 0.220 2364 P C 1.545 178.930 177.300 0.142 0.000 1.148 2364 P CA 1.249 64.266 63.100 -0.139 0.000 0.803 2364 P CB 0.121 31.709 31.700 -0.186 0.000 0.782 2365 W N -0.823 120.519 121.300 0.070 0.000 2.480 2365 W HA 0.124 4.805 4.660 0.036 0.000 0.299 2365 W C 1.349 177.859 176.519 -0.015 0.000 1.187 2365 W CA 0.147 57.473 57.345 -0.031 0.000 1.347 2365 W CB -1.527 27.850 29.460 -0.139 0.000 1.121 2365 W HN -0.151 nan 8.180 nan 0.000 0.533 2366 L N 1.850 122.916 121.223 -0.262 0.000 2.313 2366 L HA -0.001 4.361 4.340 0.036 0.000 0.214 2366 L C 2.436 179.248 176.870 -0.096 0.000 1.119 2366 L CA 1.753 56.481 54.840 -0.186 0.000 0.809 2366 L CB -0.606 41.075 42.059 -0.630 0.000 0.933 2366 L HN -0.238 nan 8.230 nan 0.000 0.449 2367 E N 0.419 120.572 120.200 -0.079 0.000 2.051 2367 E HA -0.156 4.216 4.350 0.036 0.000 0.192 2367 E C -0.129 176.499 176.600 0.047 0.000 0.991 2367 E CA 1.594 57.996 56.400 0.004 0.000 0.799 2367 E CB -1.791 27.967 29.700 0.097 0.000 0.748 2367 E HN 0.400 nan 8.360 nan 0.000 0.449 2368 P HA -0.154 nan 4.420 nan 0.000 0.218 2368 P C 1.212 178.552 177.300 0.067 0.000 1.146 2368 P CA 1.135 64.293 63.100 0.098 0.000 0.820 2368 P CB -0.103 31.679 31.700 0.138 0.000 0.778 2369 L N -2.735 118.519 121.223 0.051 0.000 2.558 2369 L HA 0.054 4.416 4.340 0.036 0.000 0.225 2369 L C 1.267 178.145 176.870 0.015 0.000 1.128 2369 L CA -0.013 54.851 54.840 0.039 0.000 0.868 2369 L CB -0.330 41.758 42.059 0.050 0.000 1.006 2369 L HN -0.102 nan 8.230 nan 0.000 0.454 2370 R N 1.147 121.651 120.500 0.007 0.000 2.539 2370 R HA 0.575 4.936 4.340 0.036 0.000 0.275 2370 R C 0.202 176.507 176.300 0.010 0.000 1.077 2370 R CA 0.273 56.371 56.100 -0.004 0.000 1.097 2370 R CB 1.255 31.548 30.300 -0.012 0.000 1.018 2370 R HN 0.147 nan 8.270 nan 0.000 0.483 2371 G N 1.941 110.745 108.800 0.007 0.000 2.554 2371 G HA2 0.363 4.345 3.960 0.036 0.000 0.306 2371 G HA3 0.363 4.345 3.960 0.036 0.000 0.306 2371 G C -2.889 172.016 174.900 0.009 0.000 1.320 2371 G CA -0.770 44.337 45.100 0.011 0.000 0.800 2371 G HN 0.340 nan 8.290 nan 0.000 0.481 2372 P HA 0.147 nan 4.420 nan 0.000 0.267 2372 P C -0.153 177.150 177.300 0.006 0.000 1.200 2372 P CA 0.292 63.397 63.100 0.008 0.000 0.772 2372 P CB 0.651 32.356 31.700 0.007 0.000 0.855 2373 N N 0.141 118.843 118.700 0.005 0.000 2.936 2373 N HA -0.180 4.582 4.740 0.036 0.000 0.236 2373 N C 0.825 176.330 175.510 -0.009 0.000 0.930 2373 N CA 1.944 54.992 53.050 -0.004 0.000 0.966 2373 N CB -1.688 36.795 38.487 -0.006 0.000 1.090 2373 N HN 0.973 nan 8.380 nan 0.000 0.592 2374 G N -0.605 108.196 108.800 0.001 0.000 2.384 2374 G HA2 -0.117 3.865 3.960 0.036 0.000 0.200 2374 G HA3 -0.117 3.865 3.960 0.036 0.000 0.200 2374 G C -0.897 173.996 174.900 -0.012 0.000 1.205 2374 G CA -0.293 44.804 45.100 -0.004 0.000 1.116 2374 G HN 0.223 nan 8.290 nan 0.000 0.547 2375 L N 1.509 122.713 121.223 -0.031 0.000 2.360 2375 L HA 0.301 4.663 4.340 0.036 0.000 0.276 2375 L C 0.169 177.037 176.870 -0.004 0.000 1.121 2375 L CA -0.463 54.358 54.840 -0.032 0.000 0.845 2375 L CB 0.825 42.839 42.059 -0.074 0.000 1.143 2375 L HN 0.548 nan 8.230 nan 0.000 0.452 2376 D N 3.376 123.780 120.400 0.008 0.000 2.338 2376 D HA 0.002 4.663 4.640 0.036 0.000 0.255 2376 D C 0.848 177.162 176.300 0.025 0.000 1.237 2376 D CA -0.335 53.675 54.000 0.016 0.000 0.883 2376 D CB 1.366 42.177 40.800 0.018 0.000 1.087 2376 D HN 0.416 nan 8.370 nan 0.000 0.485 2377 L N 5.277 126.515 121.223 0.025 0.000 2.349 2377 L HA -0.152 4.209 4.340 0.036 0.000 0.220 2377 L C 1.365 178.250 176.870 0.024 0.000 1.130 2377 L CA 1.501 56.358 54.840 0.030 0.000 0.791 2377 L CB -0.254 41.821 42.059 0.026 0.000 0.918 2377 L HN 0.395 nan 8.230 nan 0.000 0.444 2378 N N -0.789 117.924 118.700 0.022 0.000 2.409 2378 N HA -0.045 4.716 4.740 0.036 0.000 0.174 2378 N C 1.484 177.008 175.510 0.023 0.000 1.037 2378 N CA 0.691 53.753 53.050 0.020 0.000 0.898 2378 N CB 0.111 38.608 38.487 0.017 0.000 1.010 2378 N HN 0.471 nan 8.380 nan 0.000 0.445 2379 K N 0.857 121.274 120.400 0.028 0.000 2.186 2379 K HA 0.179 4.521 4.320 0.036 0.000 0.202 2379 K C 2.002 178.624 176.600 0.035 0.000 1.052 2379 K CA 0.255 56.562 56.287 0.033 0.000 0.965 2379 K CB 0.312 32.835 32.500 0.038 0.000 0.746 2379 K HN 0.048 nan 8.250 nan 0.000 0.457 2380 I N 2.649 123.243 120.570 0.039 0.000 2.039 2380 I HA -0.379 3.812 4.170 0.036 0.000 0.233 2380 I C 2.288 178.422 176.117 0.028 0.000 1.040 2380 I CA 1.759 63.088 61.300 0.048 0.000 1.308 2380 I CB -0.454 37.584 38.000 0.062 0.000 1.035 2380 I HN 0.220 nan 8.210 nan 0.000 0.392 2381 K N 0.238 120.647 120.400 0.016 0.000 2.365 2381 K HA -0.035 4.306 4.320 0.036 0.000 0.199 2381 K C 1.338 177.940 176.600 0.003 0.000 1.045 2381 K CA 0.992 57.280 56.287 0.001 0.000 0.962 2381 K CB -0.125 32.371 32.500 -0.006 0.000 0.759 2381 K HN 0.381 nan 8.250 nan 0.000 0.469 2382 N N 1.376 120.084 118.700 0.012 0.000 2.523 2382 N HA -0.021 4.740 4.740 0.036 0.000 0.209 2382 N C 0.064 175.586 175.510 0.020 0.000 1.039 2382 N CA 0.685 53.744 53.050 0.014 0.000 1.002 2382 N CB 0.173 38.670 38.487 0.017 0.000 1.270 2382 N HN 0.170 nan 8.380 nan 0.000 0.481 2383 D N 1.425 121.842 120.400 0.028 0.000 3.057 2383 D HA 0.135 4.797 4.640 0.036 0.000 0.246 2383 D C -0.251 176.072 176.300 0.038 0.000 1.238 2383 D CA 0.070 54.093 54.000 0.038 0.000 0.949 2383 D CB 0.318 41.146 40.800 0.046 0.000 1.086 2383 D HN 0.257 nan 8.370 nan 0.000 0.487 2384 I N 1.528 122.111 120.570 0.022 0.000 2.330 2384 I HA 0.024 4.216 4.170 0.036 0.000 0.286 2384 I C -0.116 175.993 176.117 -0.014 0.000 1.025 2384 I CA -0.635 60.665 61.300 -0.001 0.000 1.197 2384 I CB 0.633 38.627 38.000 -0.009 0.000 1.358 2384 I HN -0.195 nan 8.210 nan 0.000 0.467 2385 Q N 8.915 128.707 119.800 -0.013 0.000 2.421 2385 Q HA 0.184 4.545 4.340 0.036 0.000 0.255 2385 Q C -1.662 174.279 176.000 -0.099 0.000 1.013 2385 Q CA -1.646 54.172 55.803 0.025 0.000 0.895 2385 Q CB 0.550 29.422 28.738 0.223 0.000 1.271 2385 Q HN 0.471 nan 8.270 nan 0.000 0.460 2386 P HA -0.146 nan 4.420 nan 0.000 0.215 2386 P C 1.174 178.440 177.300 -0.057 0.000 1.157 2386 P CA 1.434 64.521 63.100 -0.022 0.000 0.859 2386 P CB -0.319 31.411 31.700 0.049 0.000 0.786 2387 W N 1.189 122.478 121.300 -0.019 0.000 2.504 2387 W HA -0.106 4.576 4.660 0.036 0.000 0.257 2387 W C 1.150 177.634 176.519 -0.058 0.000 1.225 2387 W CA 0.497 57.824 57.345 -0.031 0.000 1.205 2387 W CB -1.688 27.769 29.460 -0.005 0.000 1.137 2387 W HN 0.144 nan 8.180 nan 0.000 0.612 2388 Q N 0.781 120.088 119.800 -0.821 0.000 2.163 2388 Q HA -0.092 4.270 4.340 0.036 0.000 0.198 2388 Q C 2.220 177.930 176.000 -0.484 0.000 0.954 2388 Q CA 1.414 56.719 55.803 -0.830 0.000 0.851 2388 Q CB -0.159 28.101 28.738 -0.797 0.000 0.928 2388 Q HN 0.416 nan 8.270 nan 0.000 0.459 2389 E N 1.003 121.005 120.200 -0.330 0.000 2.051 2389 E HA -0.192 4.179 4.350 0.036 0.000 0.192 2389 E C 1.990 178.425 176.600 -0.276 0.000 0.991 2389 E CA 0.753 57.000 56.400 -0.256 0.000 0.799 2389 E CB -0.097 29.500 29.700 -0.172 0.000 0.748 2389 E HN 0.251 nan 8.360 nan 0.000 0.449 2390 R N 0.666 121.035 120.500 -0.217 0.000 2.122 2390 R HA -0.147 4.215 4.340 0.036 0.000 0.236 2390 R C 2.443 178.561 176.300 -0.304 0.000 1.129 2390 R CA 1.531 57.525 56.100 -0.177 0.000 0.925 2390 R CB -0.297 29.971 30.300 -0.054 0.000 0.850 2390 R HN 0.070 nan 8.270 nan 0.000 0.431 2391 R N 0.235 120.476 120.500 -0.432 0.000 2.117 2391 R HA -0.138 4.224 4.340 0.036 0.000 0.243 2391 R C 2.178 177.814 176.300 -1.107 0.000 1.143 2391 R CA 1.684 57.289 56.100 -0.825 0.000 0.968 2391 R CB -0.934 28.790 30.300 -0.961 0.000 0.863 2391 R HN 0.344 nan 8.270 nan 0.000 0.444 2392 A N 1.172 123.438 122.820 -0.923 0.000 1.873 2392 A HA 0.004 4.346 4.320 0.036 0.000 0.215 2392 A C 2.454 179.773 177.584 -0.441 0.000 1.186 2392 A CA 1.701 53.263 52.037 -0.791 0.000 0.616 2392 A CB -0.621 18.022 19.000 -0.594 0.000 0.823 2392 A HN 0.341 nan 8.150 nan 0.000 0.442 2393 A N -0.309 122.305 122.820 -0.343 0.000 1.865 2393 A HA -0.181 4.160 4.320 0.036 0.000 0.217 2393 A C 1.981 179.413 177.584 -0.254 0.000 1.191 2393 A CA 2.254 54.150 52.037 -0.235 0.000 0.623 2393 A CB -0.584 18.300 19.000 -0.192 0.000 0.826 2393 A HN 0.510 nan 8.150 nan 0.000 0.444 2394 E N -0.579 119.466 120.200 -0.258 0.000 2.012 2394 E HA -0.183 4.189 4.350 0.036 0.000 0.197 2394 E C 1.811 178.251 176.600 -0.267 0.000 1.007 2394 E CA 1.918 58.170 56.400 -0.247 0.000 0.816 2394 E CB -0.592 29.107 29.700 -0.002 0.000 0.762 2394 E HN 0.744 nan 8.360 nan 0.000 0.451 2395 Y N 0.047 120.156 120.300 -0.319 0.000 2.014 2395 Y HA -0.338 4.234 4.550 0.037 0.000 0.270 2395 Y C 2.740 178.456 175.900 -0.307 0.000 1.145 2395 Y CA 1.126 59.063 58.100 -0.271 0.000 1.106 2395 Y CB -0.546 37.767 38.460 -0.244 0.000 0.968 2395 Y HN 0.166 nan 8.280 nan 0.000 0.484 2396 M N 0.133 119.676 119.600 -0.096 0.000 2.153 2396 M HA -0.313 4.188 4.480 0.036 0.000 0.253 2396 M C 1.764 177.961 176.300 -0.173 0.000 1.081 2396 M CA 2.443 57.663 55.300 -0.133 0.000 1.076 2396 M CB -0.427 32.101 32.600 -0.120 0.000 1.350 2396 M HN 0.253 nan 8.290 nan 0.000 0.401 2397 T N -0.620 113.772 114.554 -0.270 0.000 2.857 2397 T HA -0.075 4.297 4.350 0.036 0.000 0.266 2397 T C 0.477 174.955 174.700 -0.371 0.000 1.048 2397 T CA 0.971 62.873 62.100 -0.331 0.000 1.139 2397 T CB -0.311 68.297 68.868 -0.432 0.000 0.874 2397 T HN 0.478 nan 8.240 nan 0.000 0.455 2398 H N 1.275 120.168 119.070 -0.294 0.000 2.508 2398 H HA 0.645 5.223 4.556 0.036 0.000 0.224 2398 H C 0.167 175.267 175.328 -0.380 0.000 1.723 2398 H CA -1.174 54.473 56.048 -0.669 0.000 1.251 2398 H CB -0.914 28.381 29.762 -0.779 0.000 1.627 2398 H HN 0.240 nan 8.280 nan 0.000 0.543 2399 A N 2.347 125.088 122.820 -0.132 0.000 2.477 2399 A HA 0.211 4.552 4.320 0.036 0.000 0.246 2399 A C -1.011 176.640 177.584 0.111 0.000 1.078 2399 A CA -1.090 50.915 52.037 -0.054 0.000 0.770 2399 A CB 0.438 19.396 19.000 -0.069 0.000 1.011 2399 A HN 0.192 nan 8.150 nan 0.000 0.494 2400 P HA -0.152 nan 4.420 nan 0.000 0.219 2400 P C 0.099 177.437 177.300 0.063 0.000 1.145 2400 P CA 0.890 63.986 63.100 -0.006 0.000 0.813 2400 P CB -0.183 31.337 31.700 -0.300 0.000 0.771 2401 L N -0.507 120.756 121.223 0.068 0.000 2.584 2401 L HA 0.184 4.546 4.340 0.036 0.000 0.272 2401 L C 1.120 178.040 176.870 0.084 0.000 1.195 2401 L CA 0.273 55.149 54.840 0.060 0.000 0.920 2401 L CB -0.441 41.642 42.059 0.039 0.000 1.173 2401 L HN 0.089 nan 8.230 nan 0.000 0.489 2402 G N 1.929 110.735 108.800 0.010 0.000 2.660 2402 G HA2 0.643 4.625 3.960 0.036 0.000 0.290 2402 G HA3 0.643 4.625 3.960 0.036 0.000 0.290 2402 G C -1.504 173.359 174.900 -0.063 0.000 1.432 2402 G CA -0.418 44.678 45.100 -0.006 0.000 0.807 2402 G HN 0.510 nan 8.290 nan 0.000 0.485 2403 S N -1.017 114.661 115.700 -0.037 0.000 2.709 2403 S HA 0.494 4.986 4.470 0.036 0.000 0.302 2403 S C 1.245 175.835 174.600 -0.017 0.000 1.127 2403 S CA -0.882 57.295 58.200 -0.037 0.000 0.905 2403 S CB 1.710 64.912 63.200 0.003 0.000 1.151 2403 S HN 0.468 nan 8.310 nan 0.000 0.510 2404 L N 0.761 121.990 121.223 0.009 0.000 2.191 2404 L HA -0.083 4.279 4.340 0.036 0.000 0.212 2404 L C 1.462 178.408 176.870 0.127 0.000 1.103 2404 L CA 1.175 56.067 54.840 0.087 0.000 0.769 2404 L CB -0.716 41.394 42.059 0.085 0.000 0.908 2404 L HN 0.677 nan 8.230 nan 0.000 0.438 2405 N N -0.681 118.072 118.700 0.088 0.000 2.501 2405 N HA -0.033 4.728 4.740 0.036 0.000 0.195 2405 N C 0.486 176.061 175.510 0.109 0.000 1.213 2405 N CA 0.009 53.115 53.050 0.092 0.000 0.864 2405 N CB 0.245 38.773 38.487 0.067 0.000 0.999 2405 N HN 0.081 nan 8.380 nan 0.000 0.454 2406 S N -0.058 115.722 115.700 0.133 0.000 3.521 2406 S HA -0.133 4.359 4.470 0.036 0.000 0.328 2406 S C 0.178 174.855 174.600 0.128 0.000 1.165 2406 S CA 0.138 58.428 58.200 0.151 0.000 0.941 2406 S CB -1.139 62.166 63.200 0.175 0.000 0.951 2406 S HN 0.197 nan 8.310 nan 0.000 0.539 2407 V N 1.454 121.427 119.914 0.098 0.000 2.508 2407 V HA 0.478 4.619 4.120 0.036 0.000 0.281 2407 V C 1.284 177.447 176.094 0.115 0.000 1.041 2407 V CA 0.371 62.728 62.300 0.095 0.000 1.016 2407 V CB 1.073 32.936 31.823 0.066 0.000 0.984 2407 V HN 0.512 nan 8.190 nan 0.000 0.478 2408 G N 3.210 112.096 108.800 0.144 0.000 2.395 2408 G HA2 0.585 4.567 3.960 0.036 0.000 0.283 2408 G HA3 0.585 4.567 3.960 0.036 0.000 0.283 2408 G C 0.320 175.285 174.900 0.109 0.000 1.178 2408 G CA 0.470 45.680 45.100 0.184 0.000 0.837 2408 G HN 1.490 nan 8.290 nan 0.000 0.518 2409 G N -0.475 108.389 108.800 0.106 0.000 2.698 2409 G HA2 0.061 4.043 3.960 0.036 0.000 0.225 2409 G HA3 0.061 4.043 3.960 0.036 0.000 0.225 2409 G C 0.090 175.011 174.900 0.035 0.000 1.345 2409 G CA -0.503 44.627 45.100 0.050 0.000 0.871 2409 G HN 1.503 nan 8.290 nan 0.000 0.540 2410 V N 1.075 120.998 119.914 0.016 0.000 2.975 2410 V HA 0.203 4.345 4.120 0.036 0.000 0.300 2410 V C 2.452 178.553 176.094 0.012 0.000 1.186 2410 V CA 1.640 63.945 62.300 0.009 0.000 1.311 2410 V CB 0.358 32.181 31.823 -0.000 0.000 0.917 2410 V HN 2.313 nan 8.190 nan 0.000 0.512 2411 A N 3.539 126.362 122.820 0.006 0.000 2.148 2411 A HA -0.184 4.158 4.320 0.036 0.000 0.222 2411 A C 1.978 179.566 177.584 0.007 0.000 1.161 2411 A CA 2.407 54.447 52.037 0.004 0.000 0.662 2411 A CB -0.602 18.396 19.000 -0.002 0.000 0.799 2411 A HN 0.951 nan 8.150 nan 0.000 0.466 2412 T N -0.436 114.123 114.554 0.007 0.000 3.037 2412 T HA 0.072 4.444 4.350 0.036 0.000 0.251 2412 T C 0.697 175.404 174.700 0.012 0.000 1.079 2412 T CA -0.189 61.916 62.100 0.008 0.000 1.067 2412 T CB 0.019 68.889 68.868 0.004 0.000 0.948 2412 T HN 0.419 nan 8.240 nan 0.000 0.496 2413 E N 1.260 121.470 120.200 0.016 0.000 2.492 2413 E HA 0.049 4.420 4.350 0.036 0.000 0.266 2413 E C 0.020 176.635 176.600 0.024 0.000 1.187 2413 E CA 0.080 56.492 56.400 0.021 0.000 1.036 2413 E CB 0.501 30.218 29.700 0.028 0.000 0.994 2413 E HN 0.373 nan 8.360 nan 0.000 0.468 2414 I N 1.082 121.667 120.570 0.025 0.000 2.577 2414 I HA -0.004 4.188 4.170 0.036 0.000 0.300 2414 I C 0.594 176.732 176.117 0.036 0.000 0.990 2414 I CA -0.377 60.939 61.300 0.027 0.000 1.283 2414 I CB 0.608 38.621 38.000 0.023 0.000 1.411 2414 I HN 0.308 nan 8.210 nan 0.000 0.515 2415 N N 3.070 121.792 118.700 0.037 0.000 2.680 2415 N HA -0.116 4.645 4.740 0.036 0.000 0.197 2415 N C 1.084 176.623 175.510 0.049 0.000 1.288 2415 N CA 0.732 53.809 53.050 0.045 0.000 0.924 2415 N CB -0.149 38.364 38.487 0.042 0.000 1.025 2415 N HN 0.619 nan 8.380 nan 0.000 0.447 2416 S N -1.285 114.441 115.700 0.044 0.000 2.631 2416 S HA 0.123 4.614 4.470 0.036 0.000 0.217 2416 S C 0.285 174.918 174.600 0.054 0.000 0.958 2416 S CA -0.361 57.866 58.200 0.044 0.000 0.920 2416 S CB 0.093 63.314 63.200 0.034 0.000 0.776 2416 S HN -0.065 nan 8.310 nan 0.000 0.517 2417 V N 2.507 122.462 119.914 0.068 0.000 2.524 2417 V HA 0.441 4.583 4.120 0.036 0.000 0.297 2417 V C -1.125 175.045 176.094 0.127 0.000 1.035 2417 V CA -1.026 61.327 62.300 0.088 0.000 0.867 2417 V CB 1.609 33.480 31.823 0.080 0.000 1.004 2417 V HN 0.251 nan 8.190 nan 0.000 0.426 2418 N N 4.013 122.800 118.700 0.145 0.000 2.426 2418 N HA 0.755 5.516 4.740 0.036 0.000 0.275 2418 N C -1.011 174.680 175.510 0.300 0.000 1.019 2418 N CA -0.075 53.083 53.050 0.181 0.000 0.941 2418 N CB 1.752 40.321 38.487 0.137 0.000 1.123 2418 N HN 0.692 nan 8.380 nan 0.000 0.486 2419 F N 1.173 121.181 119.950 0.096 0.000 2.740 2419 F HA 0.366 4.915 4.527 0.036 0.000 0.312 2419 F C -1.906 173.965 175.800 0.119 0.000 1.121 2419 F CA -0.603 57.461 58.000 0.107 0.000 0.977 2419 F CB 0.950 40.002 39.000 0.085 0.000 1.265 2419 F HN 0.103 nan 8.300 nan 0.000 0.443 2420 V N 4.055 123.506 119.914 -0.772 0.000 2.716 2420 V HA 0.217 4.359 4.120 0.036 0.000 0.284 2420 V C -0.364 175.323 176.094 -0.678 0.000 1.129 2420 V CA -0.810 61.172 62.300 -0.530 0.000 0.926 2420 V CB 1.397 33.104 31.823 -0.193 0.000 1.051 2420 V HN 0.927 nan 8.190 nan 0.000 0.458 2421 S N 6.293 121.542 115.700 -0.751 0.000 2.673 2421 S HA 0.078 4.570 4.470 0.036 0.000 0.308 2421 S C -0.890 173.639 174.600 -0.118 0.000 1.246 2421 S CA -0.034 57.931 58.200 -0.391 0.000 1.077 2421 S CB 0.965 64.061 63.200 -0.174 0.000 0.814 2421 S HN 0.596 nan 8.310 nan 0.000 0.503 2422 P HA -0.185 nan 4.420 nan 0.000 0.218 2422 P C 1.341 178.683 177.300 0.070 0.000 1.154 2422 P CA 1.520 64.694 63.100 0.122 0.000 0.872 2422 P CB 0.068 31.818 31.700 0.082 0.000 0.790 2423 R N -0.763 119.722 120.500 -0.025 0.000 2.103 2423 R HA -0.119 4.243 4.340 0.036 0.000 0.242 2423 R C 2.381 178.820 176.300 0.231 0.000 1.142 2423 R CA 1.933 58.056 56.100 0.038 0.000 0.960 2423 R CB -1.112 29.165 30.300 -0.039 0.000 0.858 2423 R HN 0.215 nan 8.270 nan 0.000 0.439 2424 S N -0.386 115.421 115.700 0.179 0.000 2.399 2424 S HA -0.140 4.352 4.470 0.036 0.000 0.231 2424 S C 1.432 176.034 174.600 0.003 0.000 1.022 2424 S CA 1.046 59.356 58.200 0.184 0.000 0.983 2424 S CB -0.195 62.962 63.200 -0.073 0.000 0.803 2424 S HN 0.433 nan 8.310 nan 0.000 0.480 2425 W N 1.438 122.767 121.300 0.047 0.000 2.443 2425 W HA 0.153 4.835 4.660 0.037 0.000 0.296 2425 W C 1.939 178.486 176.519 0.047 0.000 1.202 2425 W CA 0.058 57.420 57.345 0.027 0.000 1.312 2425 W CB -0.272 29.185 29.460 -0.006 0.000 1.120 2425 W HN 0.201 nan 8.180 nan 0.000 0.536 2426 L N -0.227 121.144 121.223 0.247 0.000 2.027 2426 L HA -0.149 4.213 4.340 0.036 0.000 0.206 2426 L C 2.656 179.615 176.870 0.148 0.000 1.074 2426 L CA 1.261 56.157 54.840 0.093 0.000 0.745 2426 L CB -1.404 40.590 42.059 -0.109 0.000 0.898 2426 L HN -0.031 nan 8.230 nan 0.000 0.433 2427 A N -0.325 122.594 122.820 0.164 0.000 1.902 2427 A HA -0.200 4.141 4.320 0.036 0.000 0.217 2427 A C 2.367 180.014 177.584 0.104 0.000 1.181 2427 A CA 2.388 54.508 52.037 0.138 0.000 0.623 2427 A CB -0.899 18.171 19.000 0.116 0.000 0.818 2427 A HN 0.374 nan 8.150 nan 0.000 0.443 2428 T N 0.428 115.029 114.554 0.077 0.000 2.614 2428 T HA -0.164 4.208 4.350 0.036 0.000 0.263 2428 T C 2.468 177.237 174.700 0.116 0.000 1.055 2428 T CA 2.467 64.586 62.100 0.031 0.000 1.162 2428 T CB -0.527 68.341 68.868 -0.001 0.000 0.863 2428 T HN 0.806 nan 8.240 nan 0.000 0.414 2429 S N 1.240 117.063 115.700 0.204 0.000 2.348 2429 S HA -0.212 4.280 4.470 0.036 0.000 0.221 2429 S C 1.890 176.537 174.600 0.077 0.000 1.033 2429 S CA 1.620 59.922 58.200 0.171 0.000 1.010 2429 S CB -0.913 62.428 63.200 0.234 0.000 0.891 2429 S HN 0.562 nan 8.310 nan 0.000 0.442 2430 H N 0.097 119.193 119.070 0.045 0.000 2.456 2430 H HA 0.167 4.744 4.556 0.036 0.000 0.296 2430 H C 1.575 176.878 175.328 -0.041 0.000 1.079 2430 H CA 1.229 57.272 56.048 -0.008 0.000 1.322 2430 H CB -0.478 29.281 29.762 -0.004 0.000 1.388 2430 H HN 0.514 nan 8.280 nan 0.000 0.538 2431 F N 0.355 120.274 119.950 -0.050 0.000 2.039 2431 F HA -0.230 4.311 4.527 0.024 0.000 0.294 2431 F C 2.249 177.963 175.800 -0.143 0.000 1.130 2431 F CA 1.121 59.001 58.000 -0.200 0.000 1.189 2431 F CB -0.665 38.166 39.000 -0.281 0.000 0.983 2431 F HN -0.089 nan 8.300 nan 0.000 0.471 2432 V N 1.232 121.209 119.914 0.105 0.000 2.311 2432 V HA -0.392 3.750 4.120 0.036 0.000 0.256 2432 V C 2.438 178.485 176.094 -0.078 0.000 1.077 2432 V CA 2.334 64.606 62.300 -0.046 0.000 1.067 2432 V CB -0.974 30.788 31.823 -0.101 0.000 0.659 2432 V HN 0.426 nan 8.190 nan 0.000 0.451 2433 L N -0.278 120.911 121.223 -0.056 0.000 2.072 2433 L HA -0.078 4.284 4.340 0.036 0.000 0.205 2433 L C 2.697 179.580 176.870 0.022 0.000 1.079 2433 L CA 1.394 56.226 54.840 -0.015 0.000 0.752 2433 L CB -0.806 41.094 42.059 -0.266 0.000 0.906 2433 L HN 0.358 nan 8.230 nan 0.000 0.436 2434 A N -0.228 122.570 122.820 -0.037 0.000 2.019 2434 A HA -0.234 4.108 4.320 0.036 0.000 0.219 2434 A C 2.066 179.834 177.584 0.307 0.000 1.164 2434 A CA 1.365 53.472 52.037 0.116 0.000 0.644 2434 A CB -0.591 18.520 19.000 0.185 0.000 0.805 2434 A HN 0.426 nan 8.150 nan 0.000 0.449 2435 F N -0.639 119.376 119.950 0.107 0.000 2.049 2435 F HA 0.024 4.563 4.527 0.020 0.000 0.288 2435 F C 2.000 177.969 175.800 0.282 0.000 1.141 2435 F CA 1.163 59.265 58.000 0.170 0.000 1.165 2435 F CB -0.811 38.200 39.000 0.017 0.000 1.012 2435 F HN 0.219 nan 8.300 nan 0.000 0.475 2436 F N -0.267 119.626 119.950 -0.094 0.000 2.048 2436 F HA -0.379 4.168 4.527 0.033 0.000 0.296 2436 F C 2.446 178.190 175.800 -0.093 0.000 1.109 2436 F CA 1.407 59.309 58.000 -0.163 0.000 1.214 2436 F CB -0.866 38.240 39.000 0.176 0.000 0.963 2436 F HN 0.052 nan 8.300 nan 0.000 0.491 2437 F N -0.090 119.925 119.950 0.107 0.000 2.184 2437 F HA -0.264 4.283 4.527 0.032 0.000 0.301 2437 F C 2.097 177.893 175.800 -0.006 0.000 1.076 2437 F CA 1.281 59.308 58.000 0.045 0.000 1.295 2437 F CB -0.817 38.212 39.000 0.048 0.000 1.026 2437 F HN -0.065 nan 8.300 nan 0.000 0.494 2438 L N -0.588 120.680 121.223 0.075 0.000 2.072 2438 L HA -0.113 4.249 4.340 0.036 0.000 0.205 2438 L C 2.240 179.074 176.870 -0.060 0.000 1.079 2438 L CA 1.322 56.156 54.840 -0.010 0.000 0.752 2438 L CB -0.845 41.162 42.059 -0.087 0.000 0.906 2438 L HN -0.068 nan 8.230 nan 0.000 0.436 2439 V N 0.335 120.121 119.914 -0.213 0.000 2.453 2439 V HA -0.266 3.876 4.120 0.036 0.000 0.252 2439 V C 2.551 178.580 176.094 -0.108 0.000 1.068 2439 V CA 1.773 63.948 62.300 -0.208 0.000 1.070 2439 V CB -1.727 29.925 31.823 -0.284 0.000 0.664 2439 V HN 0.656 nan 8.190 nan 0.000 0.461 2440 G N -1.060 107.691 108.800 -0.082 0.000 2.421 2440 G HA2 -0.282 3.700 3.960 0.036 0.000 0.217 2440 G HA3 -0.282 3.700 3.960 0.036 0.000 0.217 2440 G C 1.399 176.297 174.900 -0.003 0.000 1.143 2440 G CA 0.902 45.966 45.100 -0.060 0.000 0.784 2440 G HN 0.653 nan 8.290 nan 0.000 0.541 2441 H N 0.554 119.589 119.070 -0.059 0.000 2.387 2441 H HA 0.100 4.675 4.556 0.032 0.000 0.299 2441 H C 2.357 177.664 175.328 -0.035 0.000 1.090 2441 H CA 1.280 57.301 56.048 -0.045 0.000 1.332 2441 H CB -0.193 29.540 29.762 -0.048 0.000 1.386 2441 H HN 0.286 nan 8.280 nan 0.000 0.516 2442 L N -1.461 119.667 121.223 -0.158 0.000 2.072 2442 L HA -0.122 4.240 4.340 0.036 0.000 0.205 2442 L C 2.510 179.365 176.870 -0.026 0.000 1.079 2442 L CA 1.163 55.906 54.840 -0.163 0.000 0.752 2442 L CB -0.654 41.355 42.059 -0.084 0.000 0.906 2442 L HN 0.432 nan 8.230 nan 0.000 0.436 2443 W N 0.240 121.348 121.300 -0.320 0.000 2.379 2443 W HA -0.193 4.494 4.660 0.044 0.000 0.307 2443 W C 2.771 179.012 176.519 -0.464 0.000 1.200 2443 W CA 0.724 57.829 57.345 -0.400 0.000 1.297 2443 W CB 0.057 29.214 29.460 -0.505 0.000 1.140 2443 W HN 0.227 nan 8.180 nan 0.000 0.507 2444 H N -0.494 118.509 119.070 -0.112 0.000 2.436 2444 H HA 0.012 4.591 4.556 0.038 0.000 0.294 2444 H C 2.210 177.353 175.328 -0.307 0.000 1.048 2444 H CA 1.513 57.379 56.048 -0.304 0.000 1.353 2444 H CB -0.688 28.911 29.762 -0.271 0.000 1.414 2444 H HN 0.206 nan 8.280 nan 0.000 0.536 2445 A N 0.448 123.126 122.820 -0.235 0.000 2.067 2445 A HA 0.043 4.385 4.320 0.036 0.000 0.217 2445 A C 2.659 180.117 177.584 -0.210 0.000 1.156 2445 A CA 1.101 52.956 52.037 -0.303 0.000 0.683 2445 A CB -0.589 18.116 19.000 -0.491 0.000 0.808 2445 A HN 0.418 nan 8.150 nan 0.000 0.455 2446 G N -0.740 107.981 108.800 -0.131 0.000 2.511 2446 G HA2 -0.083 3.899 3.960 0.036 0.000 0.217 2446 G HA3 -0.083 3.899 3.960 0.036 0.000 0.217 2446 G C 1.554 176.420 174.900 -0.057 0.000 1.133 2446 G CA 0.713 45.792 45.100 -0.035 0.000 0.792 2446 G HN 0.525 nan 8.290 nan 0.000 0.539 2447 R N 0.204 120.595 120.500 -0.182 0.000 2.297 2447 R HA 0.357 4.719 4.340 0.036 0.000 0.197 2447 R C 2.294 178.484 176.300 -0.183 0.000 0.943 2447 R CA 0.867 56.816 56.100 -0.251 0.000 1.038 2447 R CB -0.045 29.958 30.300 -0.494 0.000 0.957 2447 R HN 0.187 nan 8.270 nan 0.000 0.484 2448 A N 0.266 122.980 122.820 -0.178 0.000 2.123 2448 A HA 0.075 4.417 4.320 0.036 0.000 0.214 2448 A C 1.468 178.986 177.584 -0.111 0.000 1.152 2448 A CA 0.279 52.215 52.037 -0.169 0.000 0.728 2448 A CB 0.057 18.924 19.000 -0.221 0.000 0.814 2448 A HN 0.112 nan 8.150 nan 0.000 0.464 2449 R N -0.558 119.891 120.500 -0.086 0.000 2.300 2449 R HA 0.248 4.610 4.340 0.036 0.000 0.199 2449 R C 1.611 177.898 176.300 -0.021 0.000 0.920 2449 R CA 0.925 56.998 56.100 -0.044 0.000 1.046 2449 R CB -0.512 29.768 30.300 -0.032 0.000 0.984 2449 R HN 0.467 nan 8.270 nan 0.000 0.493 2450 A N 0.148 122.951 122.820 -0.028 0.000 2.169 2450 A HA 0.330 4.671 4.320 0.036 0.000 0.210 2450 A C 2.006 179.577 177.584 -0.022 0.000 1.168 2450 A CA 0.790 52.831 52.037 0.007 0.000 0.813 2450 A CB 0.084 19.106 19.000 0.038 0.000 0.861 2450 A HN 0.211 nan 8.150 nan 0.000 0.481 2451 A N 0.226 123.015 122.820 -0.052 0.000 1.850 2451 A HA 0.337 4.679 4.320 0.036 0.000 0.212 2451 A C 2.434 179.994 177.584 -0.039 0.000 1.208 2451 A CA 1.488 53.489 52.037 -0.060 0.000 0.609 2451 A CB -1.191 17.756 19.000 -0.088 0.000 0.860 2451 A HN 1.047 nan 8.150 nan 0.000 0.448 2452 A N -1.260 121.543 122.820 -0.029 0.000 2.042 2452 A HA 0.120 4.462 4.320 0.036 0.000 0.222 2452 A C 1.844 179.427 177.584 -0.001 0.000 1.167 2452 A CA 2.982 55.017 52.037 -0.003 0.000 0.649 2452 A CB -0.484 18.520 19.000 0.007 0.000 0.809 2452 A HN 1.673 nan 8.150 nan 0.000 0.457 2453 A N -4.127 118.688 122.820 -0.010 0.000 2.431 2453 A HA 0.436 4.778 4.320 0.036 0.000 0.149 2453 A C 1.558 179.135 177.584 -0.013 0.000 1.903 2453 A CA 0.995 53.026 52.037 -0.011 0.000 1.329 2453 A CB -1.110 17.892 19.000 0.003 0.000 1.467 2453 A HN 1.200 nan 8.150 nan 0.000 0.352 2454 G N -0.133 108.669 108.800 0.003 0.000 2.679 2454 G HA2 0.332 4.314 3.960 0.036 0.000 0.158 2454 G HA3 0.332 4.314 3.960 0.036 0.000 0.158 2454 G C -0.005 174.918 174.900 0.038 0.000 1.702 2454 G CA 0.247 45.371 45.100 0.041 0.000 1.041 2454 G HN 0.417 nan 8.290 nan 0.000 0.507 2455 F N 0.817 120.750 119.950 -0.028 0.000 2.410 2455 F HA 0.519 5.068 4.527 0.037 0.000 0.349 2455 F C 0.469 176.238 175.800 -0.050 0.000 1.117 2455 F CA -0.491 57.491 58.000 -0.030 0.000 1.104 2455 F CB 1.367 40.355 39.000 -0.019 0.000 1.122 2455 F HN 0.369 nan 8.300 nan 0.000 0.483 2456 E N 0.000 120.094 120.200 -0.176 0.000 2.725 2456 E HA 0.000 4.372 4.350 0.036 0.000 0.291 2456 E CA 0.000 56.374 56.400 -0.044 0.000 0.976 2456 E CB 0.000 29.648 29.700 -0.087 0.000 0.812 2456 E HN 0.000 nan 8.360 nan 0.000 0.440