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 3nbn_1_B DATA FIRST_RESID 1924 DATA SEQUENCE QTDRTGETAL HLAARYSRSD AAKRLLEASA DANIQDNMGR TPLHAAVSAD DATA SEQUENCE AQGVFQILIR NRATDLDARM HDGTTPLILA ARLAVEGMLE DLINSHADVN DATA SEQUENCE AVDDLGKSAL HWAAAVNNVD AAVVLLKNGA NKDMQNNREE TPLFLAAREG DATA SEQUENCE SYETAKVLLD HFANRDITDH MDRLPRDIAQ ERMHHDIVRL LDEYNL 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 1924 Q HA 0.000 nan 4.340 nan 0.000 0.214 1924 Q C 0.000 176.002 176.000 0.004 0.000 1.003 1924 Q CA 0.000 55.814 55.803 0.018 0.000 1.022 1924 Q CB 0.000 28.749 28.738 0.019 0.000 1.108 1925 T N 1.755 116.306 114.554 -0.006 0.000 3.139 1925 T HA -0.102 4.248 4.350 0.000 0.000 0.267 1925 T C 0.739 175.432 174.700 -0.012 0.000 1.164 1925 T CA 1.131 63.224 62.100 -0.013 0.000 1.075 1925 T CB -0.475 68.379 68.868 -0.025 0.000 0.904 1925 T HN 0.870 nan 8.240 nan 0.000 0.540 1926 D N 0.719 121.114 120.400 -0.009 0.000 2.988 1926 D HA -0.351 4.289 4.640 0.000 0.000 0.207 1926 D C 1.094 177.388 176.300 -0.010 0.000 1.148 1926 D CA 1.803 55.799 54.000 -0.007 0.000 0.950 1926 D CB -1.078 39.721 40.800 -0.001 0.000 1.068 1926 D HN 0.380 nan 8.370 nan 0.000 0.375 1927 R N 0.475 120.966 120.500 -0.014 0.000 2.070 1927 R HA -0.021 4.319 4.340 0.000 0.000 0.233 1927 R C 2.223 178.511 176.300 -0.020 0.000 1.137 1927 R CA 2.950 59.042 56.100 -0.015 0.000 0.945 1927 R CB -0.848 29.442 30.300 -0.015 0.000 0.845 1927 R HN 0.644 nan 8.270 nan 0.000 0.430 1928 T N -5.203 109.331 114.554 -0.033 0.000 3.004 1928 T HA 0.324 4.674 4.350 0.000 0.000 0.266 1928 T C 1.119 175.777 174.700 -0.070 0.000 0.986 1928 T CA 0.245 62.315 62.100 -0.050 0.000 0.902 1928 T CB 0.675 69.504 68.868 -0.064 0.000 1.118 1928 T HN 0.407 nan 8.240 nan 0.000 0.522 1929 G N 1.305 110.073 108.800 -0.054 0.000 2.159 1929 G HA2 -0.241 3.719 3.960 0.000 0.000 0.256 1929 G HA3 -0.241 3.719 3.960 0.000 0.000 0.256 1929 G C -0.227 174.623 174.900 -0.084 0.000 0.977 1929 G CA 0.137 45.207 45.100 -0.049 0.000 0.652 1929 G HN 0.696 nan 8.290 nan 0.000 0.531 1930 E N 0.516 120.647 120.200 -0.115 0.000 2.331 1930 E HA 0.496 4.846 4.350 0.000 0.000 0.272 1930 E C 0.730 177.366 176.600 0.058 0.000 1.036 1930 E CA 0.266 56.571 56.400 -0.159 0.000 0.864 1930 E CB 0.778 30.385 29.700 -0.155 0.000 1.035 1930 E HN 0.165 nan 8.360 nan 0.000 0.408 1931 T N 1.431 116.186 114.554 0.334 0.000 2.862 1931 T HA 0.360 4.710 4.350 0.000 0.000 0.276 1931 T C 1.147 175.910 174.700 0.105 0.000 0.974 1931 T CA 0.175 62.397 62.100 0.203 0.000 0.966 1931 T CB 1.165 70.133 68.868 0.166 0.000 1.072 1931 T HN 0.531 nan 8.240 nan 0.000 0.538 1932 A N 1.943 124.786 122.820 0.038 0.000 1.940 1932 A HA 0.011 4.331 4.320 0.000 0.000 0.219 1932 A C 2.287 179.871 177.584 0.000 0.000 1.176 1932 A CA 1.162 53.202 52.037 0.005 0.000 0.631 1932 A CB -0.893 18.104 19.000 -0.005 0.000 0.814 1932 A HN 0.719 nan 8.150 nan 0.000 0.446 1933 L N -0.986 120.227 121.223 -0.016 0.000 1.973 1933 L HA -0.178 4.162 4.340 0.000 0.000 0.208 1933 L C 2.354 179.214 176.870 -0.018 0.000 1.073 1933 L CA 2.602 57.413 54.840 -0.048 0.000 0.746 1933 L CB -1.474 40.517 42.059 -0.112 0.000 0.891 1933 L HN 0.592 nan 8.230 nan 0.000 0.433 1934 H N -0.406 118.665 119.070 0.000 0.000 2.304 1934 H HA -0.303 4.253 4.556 0.000 0.000 0.287 1934 H C 2.294 177.620 175.328 -0.003 0.000 1.112 1934 H CA 2.330 58.382 56.048 0.005 0.000 1.200 1934 H CB -0.176 29.584 29.762 -0.004 0.000 1.349 1934 H HN 0.275 nan 8.280 nan 0.000 0.477 1935 L N -0.412 120.867 121.223 0.093 0.000 1.961 1935 L HA -0.222 4.118 4.340 0.000 0.000 0.210 1935 L C 2.906 179.777 176.870 0.001 0.000 1.072 1935 L CA 1.004 55.819 54.840 -0.042 0.000 0.749 1935 L CB -0.714 41.256 42.059 -0.149 0.000 0.889 1935 L HN 0.383 nan 8.230 nan 0.000 0.432 1936 A N -0.148 122.680 122.820 0.014 0.000 2.032 1936 A HA -0.228 4.092 4.320 0.000 0.000 0.221 1936 A C 2.458 180.099 177.584 0.095 0.000 1.165 1936 A CA 1.894 53.966 52.037 0.058 0.000 0.645 1936 A CB -0.680 18.340 19.000 0.032 0.000 0.807 1936 A HN 0.492 nan 8.150 nan 0.000 0.453 1937 A N -0.468 122.404 122.820 0.087 0.000 1.841 1937 A HA -0.149 4.171 4.320 0.000 0.000 0.214 1937 A C 2.260 179.922 177.584 0.130 0.000 1.195 1937 A CA 1.664 53.761 52.037 0.099 0.000 0.611 1937 A CB -0.514 18.541 19.000 0.093 0.000 0.835 1937 A HN 0.509 nan 8.150 nan 0.000 0.443 1938 R N -2.258 118.340 120.500 0.163 0.000 2.096 1938 R HA -0.132 4.208 4.340 0.000 0.000 0.235 1938 R C 1.385 177.855 176.300 0.283 0.000 1.127 1938 R CA 1.445 57.667 56.100 0.204 0.000 0.968 1938 R CB -0.260 30.181 30.300 0.234 0.000 0.861 1938 R HN 0.585 nan 8.270 nan 0.000 0.440 1939 Y N -0.194 120.121 120.300 0.025 0.000 2.490 1939 Y HA 0.129 4.679 4.550 -0.000 0.000 0.281 1939 Y C 1.079 176.989 175.900 0.016 0.000 1.174 1939 Y CA 0.132 58.243 58.100 0.018 0.000 1.295 1939 Y CB 0.215 38.686 38.460 0.018 0.000 1.062 1939 Y HN -0.006 nan 8.280 nan 0.000 0.522 1940 S N 0.443 116.227 115.700 0.141 0.000 3.635 1940 S HA -0.205 4.265 4.470 0.000 0.000 0.328 1940 S C 0.040 174.686 174.600 0.076 0.000 1.135 1940 S CA 0.119 58.367 58.200 0.080 0.000 0.942 1940 S CB -0.950 62.271 63.200 0.035 0.000 0.930 1940 S HN 0.415 nan 8.310 nan 0.000 0.512 1941 R N 1.622 122.181 120.500 0.099 0.000 2.612 1941 R HA 0.168 4.508 4.340 0.000 0.000 0.273 1941 R C 1.637 177.969 176.300 0.053 0.000 1.376 1941 R CA 0.573 56.718 56.100 0.074 0.000 1.171 1941 R CB 0.046 30.396 30.300 0.083 0.000 1.151 1941 R HN 0.589 nan 8.270 nan 0.000 0.560 1942 S N 0.884 116.610 115.700 0.043 0.000 2.423 1942 S HA -0.150 4.320 4.470 0.000 0.000 0.231 1942 S C 1.188 175.803 174.600 0.024 0.000 1.014 1942 S CA 1.259 59.481 58.200 0.036 0.000 0.965 1942 S CB 0.064 63.285 63.200 0.035 0.000 0.785 1942 S HN 0.608 nan 8.310 nan 0.000 0.495 1943 D N 1.102 121.515 120.400 0.021 0.000 2.423 1943 D HA 0.318 4.958 4.640 0.000 0.000 0.208 1943 D C 1.862 178.169 176.300 0.013 0.000 1.068 1943 D CA 0.659 54.667 54.000 0.013 0.000 0.860 1943 D CB -0.438 40.369 40.800 0.011 0.000 0.992 1943 D HN 0.437 nan 8.370 nan 0.000 0.504 1944 A N 1.488 124.320 122.820 0.020 0.000 1.908 1944 A HA 0.007 4.327 4.320 0.000 0.000 0.218 1944 A C 2.445 180.035 177.584 0.011 0.000 1.181 1944 A CA 2.429 54.477 52.037 0.018 0.000 0.627 1944 A CB -0.914 18.102 19.000 0.028 0.000 0.818 1944 A HN 0.354 nan 8.150 nan 0.000 0.445 1945 A N -0.661 122.167 122.820 0.013 0.000 1.933 1945 A HA -0.146 4.175 4.320 0.000 0.000 0.218 1945 A C 2.108 179.689 177.584 -0.004 0.000 1.175 1945 A CA 1.912 53.951 52.037 0.004 0.000 0.628 1945 A CB -0.425 18.581 19.000 0.010 0.000 0.814 1945 A HN 0.540 nan 8.150 nan 0.000 0.444 1946 K N -0.172 120.227 120.400 -0.002 0.000 2.009 1946 K HA -0.208 4.112 4.320 0.000 0.000 0.210 1946 K C 2.374 178.969 176.600 -0.008 0.000 1.049 1946 K CA 1.750 58.033 56.287 -0.007 0.000 0.929 1946 K CB -0.191 32.306 32.500 -0.005 0.000 0.714 1946 K HN 0.561 nan 8.250 nan 0.000 0.440 1947 R N 0.735 121.232 120.500 -0.005 0.000 2.120 1947 R HA -0.126 4.214 4.340 0.000 0.000 0.234 1947 R C 2.072 178.367 176.300 -0.008 0.000 1.123 1947 R CA 1.087 57.184 56.100 -0.006 0.000 0.975 1947 R CB -0.844 29.455 30.300 -0.003 0.000 0.866 1947 R HN 0.259 nan 8.270 nan 0.000 0.446 1948 L N 0.716 121.933 121.223 -0.010 0.000 2.362 1948 L HA -0.028 4.312 4.340 0.000 0.000 0.219 1948 L C 2.131 178.990 176.870 -0.018 0.000 1.134 1948 L CA 0.787 55.619 54.840 -0.014 0.000 0.807 1948 L CB -0.330 41.720 42.059 -0.015 0.000 0.927 1948 L HN 0.198 nan 8.230 nan 0.000 0.447 1949 L N -0.791 120.421 121.223 -0.019 0.000 2.408 1949 L HA 0.000 4.340 4.340 0.000 0.000 0.215 1949 L C 2.484 179.343 176.870 -0.018 0.000 1.081 1949 L CA 0.721 55.548 54.840 -0.022 0.000 0.840 1949 L CB -0.462 41.581 42.059 -0.026 0.000 1.002 1949 L HN 0.226 nan 8.230 nan 0.000 0.468 1950 E N 1.146 121.337 120.200 -0.014 0.000 2.038 1950 E HA -0.130 4.220 4.350 0.000 0.000 0.195 1950 E C 1.150 177.744 176.600 -0.011 0.000 1.000 1950 E CA 0.785 57.178 56.400 -0.012 0.000 0.803 1950 E CB -0.514 29.181 29.700 -0.009 0.000 0.750 1950 E HN 0.314 nan 8.360 nan 0.000 0.448 1951 A N 1.749 124.562 122.820 -0.011 0.000 2.548 1951 A HA 0.034 4.354 4.320 0.000 0.000 0.247 1951 A C 0.831 178.407 177.584 -0.013 0.000 1.067 1951 A CA 0.251 52.282 52.037 -0.010 0.000 0.757 1951 A CB -0.021 18.973 19.000 -0.010 0.000 0.996 1951 A HN 0.092 nan 8.150 nan 0.000 0.504 1952 S N 2.161 117.854 115.700 -0.011 0.000 3.054 1952 S HA 0.196 4.666 4.470 0.000 0.000 0.243 1952 S C 0.967 175.559 174.600 -0.014 0.000 1.013 1952 S CA 0.385 58.577 58.200 -0.013 0.000 1.119 1952 S CB -1.010 62.184 63.200 -0.010 0.000 0.838 1952 S HN 1.040 nan 8.310 nan 0.000 0.505 1953 A N 1.835 124.645 122.820 -0.017 0.000 2.524 1953 A HA 0.149 4.469 4.320 0.000 0.000 0.250 1953 A C 0.296 177.864 177.584 -0.026 0.000 1.078 1953 A CA -0.422 51.603 52.037 -0.019 0.000 0.761 1953 A CB 0.079 19.067 19.000 -0.022 0.000 1.012 1953 A HN 0.312 nan 8.150 nan 0.000 0.500 1954 D N 2.279 122.665 120.400 -0.024 0.000 2.417 1954 D HA 0.337 4.977 4.640 0.000 0.000 0.250 1954 D C 0.779 177.049 176.300 -0.049 0.000 1.166 1954 D CA 0.985 54.969 54.000 -0.028 0.000 0.881 1954 D CB 0.899 41.690 40.800 -0.015 0.000 1.164 1954 D HN 0.504 nan 8.370 nan 0.000 0.467 1955 A N 4.211 126.998 122.820 -0.055 0.000 2.460 1955 A HA 0.107 4.427 4.320 0.000 0.000 0.258 1955 A C 0.666 178.200 177.584 -0.084 0.000 1.300 1955 A CA -0.274 51.713 52.037 -0.083 0.000 0.913 1955 A CB -0.051 18.907 19.000 -0.071 0.000 1.031 1955 A HN 0.614 nan 8.150 nan 0.000 0.512 1956 N N 0.742 119.410 118.700 -0.054 0.000 2.416 1956 N HA 0.183 4.923 4.740 0.000 0.000 0.267 1956 N C -0.615 174.898 175.510 0.004 0.000 1.294 1956 N CA -0.175 52.859 53.050 -0.026 0.000 0.891 1956 N CB 0.765 39.247 38.487 -0.008 0.000 1.238 1956 N HN 0.232 nan 8.380 nan 0.000 0.508 1957 I N 1.602 122.162 120.570 -0.017 0.000 2.634 1957 I HA 0.052 4.222 4.170 0.000 0.000 0.284 1957 I C 0.874 177.099 176.117 0.179 0.000 1.124 1957 I CA 0.191 61.525 61.300 0.057 0.000 1.417 1957 I CB 0.456 38.486 38.000 0.049 0.000 1.396 1957 I HN -0.059 nan 8.210 nan 0.000 0.571 1958 Q N 4.191 124.101 119.800 0.183 0.000 2.271 1958 Q HA 0.265 4.605 4.340 0.000 0.000 0.258 1958 Q C -0.601 175.462 176.000 0.105 0.000 0.936 1958 Q CA -0.868 55.036 55.803 0.168 0.000 0.909 1958 Q CB 2.061 30.855 28.738 0.093 0.000 1.253 1958 Q HN 0.565 nan 8.270 nan 0.000 0.440 1959 D N 1.277 121.633 120.400 -0.073 0.000 2.433 1959 D HA 0.018 4.658 4.640 0.000 0.000 0.255 1959 D C 0.542 176.776 176.300 -0.110 0.000 1.226 1959 D CA -0.537 53.336 54.000 -0.212 0.000 1.015 1959 D CB 0.496 40.989 40.800 -0.512 0.000 1.091 1959 D HN 0.226 nan 8.370 nan 0.000 0.527 1960 N N -0.482 118.181 118.700 -0.062 0.000 2.443 1960 N HA -0.093 4.647 4.740 0.000 0.000 0.184 1960 N C 1.309 176.862 175.510 0.072 0.000 1.037 1960 N CA 0.722 53.806 53.050 0.056 0.000 0.896 1960 N CB -0.250 38.258 38.487 0.036 0.000 0.959 1960 N HN 0.380 nan 8.380 nan 0.000 0.442 1961 M N -0.640 118.876 119.600 -0.140 0.000 2.492 1961 M HA 0.141 4.621 4.480 0.000 0.000 0.262 1961 M C 0.858 176.658 176.300 -0.832 0.000 1.090 1961 M CA 0.256 55.402 55.300 -0.257 0.000 1.110 1961 M CB -1.077 31.404 32.600 -0.199 0.000 1.407 1961 M HN 0.216 nan 8.290 nan 0.000 0.470 1962 G N 2.767 111.054 108.800 -0.854 0.000 2.291 1962 G HA2 -0.228 3.732 3.960 0.000 0.000 0.271 1962 G HA3 -0.228 3.732 3.960 0.000 0.000 0.271 1962 G C -0.147 174.530 174.900 -0.372 0.000 1.099 1962 G CA 0.002 44.604 45.100 -0.829 0.000 0.919 1962 G HN 0.574 nan 8.290 nan 0.000 0.496 1963 R N -0.651 119.733 120.500 -0.192 0.000 2.621 1963 R HA 0.753 5.093 4.340 0.000 0.000 0.292 1963 R C -0.011 176.518 176.300 0.380 0.000 0.969 1963 R CA -0.354 55.748 56.100 0.004 0.000 0.887 1963 R CB 1.490 31.696 30.300 -0.158 0.000 1.180 1963 R HN 0.400 nan 8.270 nan 0.000 0.450 1964 T N 1.230 116.075 114.554 0.484 0.000 2.913 1964 T HA 0.173 4.523 4.350 0.000 0.000 0.297 1964 T C -1.589 173.207 174.700 0.159 0.000 1.029 1964 T CA -1.671 60.575 62.100 0.244 0.000 1.104 1964 T CB 0.857 69.771 68.868 0.076 0.000 0.964 1964 T HN 0.349 nan 8.240 nan 0.000 0.532 1965 P HA -0.141 nan 4.420 nan 0.000 0.218 1965 P C 1.661 178.983 177.300 0.037 0.000 1.152 1965 P CA 0.725 63.759 63.100 -0.110 0.000 0.857 1965 P CB -0.080 31.460 31.700 -0.267 0.000 0.787 1966 L N -0.933 120.287 121.223 -0.005 0.000 2.013 1966 L HA -0.258 4.082 4.340 0.000 0.000 0.212 1966 L C 2.194 179.090 176.870 0.043 0.000 1.073 1966 L CA 2.077 56.926 54.840 0.016 0.000 0.753 1966 L CB -1.477 40.547 42.059 -0.059 0.000 0.890 1966 L HN 0.065 nan 8.230 nan 0.000 0.432 1967 H N -0.721 118.386 119.070 0.062 0.000 2.319 1967 H HA -0.194 4.362 4.556 0.000 0.000 0.297 1967 H C 2.202 177.549 175.328 0.033 0.000 1.097 1967 H CA 1.751 57.819 56.048 0.034 0.000 1.285 1967 H CB -0.306 29.472 29.762 0.025 0.000 1.368 1967 H HN 0.587 nan 8.280 nan 0.000 0.495 1968 A N 0.986 123.933 122.820 0.211 0.000 1.865 1968 A HA -0.201 4.119 4.320 0.000 0.000 0.217 1968 A C 2.587 180.231 177.584 0.100 0.000 1.191 1968 A CA 1.757 53.883 52.037 0.148 0.000 0.623 1968 A CB -1.298 17.819 19.000 0.196 0.000 0.826 1968 A HN 0.504 nan 8.150 nan 0.000 0.444 1969 A N -0.587 122.296 122.820 0.105 0.000 1.892 1969 A HA -0.101 4.219 4.320 0.000 0.000 0.218 1969 A C 2.270 179.859 177.584 0.008 0.000 1.188 1969 A CA 2.203 54.294 52.037 0.090 0.000 0.631 1969 A CB -1.150 17.943 19.000 0.155 0.000 0.822 1969 A HN 0.492 nan 8.150 nan 0.000 0.447 1970 V N -0.679 119.221 119.914 -0.023 0.000 2.295 1970 V HA -0.220 3.900 4.120 0.000 0.000 0.246 1970 V C 2.741 178.770 176.094 -0.108 0.000 1.049 1970 V CA 2.310 64.514 62.300 -0.160 0.000 1.024 1970 V CB -0.971 30.773 31.823 -0.133 0.000 0.648 1970 V HN 0.557 nan 8.190 nan 0.000 0.447 1971 S N -0.169 115.510 115.700 -0.035 0.000 2.400 1971 S HA -0.142 4.328 4.470 0.000 0.000 0.232 1971 S C 1.787 176.366 174.600 -0.034 0.000 1.025 1971 S CA 1.424 59.604 58.200 -0.033 0.000 0.993 1971 S CB -0.333 62.865 63.200 -0.004 0.000 0.808 1971 S HN 0.657 nan 8.310 nan 0.000 0.478 1972 A N 0.433 123.242 122.820 -0.019 0.000 2.337 1972 A HA 0.235 4.555 4.320 0.000 0.000 0.227 1972 A C 0.516 178.079 177.584 -0.036 0.000 1.259 1972 A CA 0.053 52.083 52.037 -0.012 0.000 0.870 1972 A CB -0.193 18.824 19.000 0.028 0.000 0.927 1972 A HN 0.339 nan 8.150 nan 0.000 0.497 1973 D N -0.441 119.915 120.400 -0.073 0.000 2.745 1973 D HA -0.214 4.426 4.640 0.000 0.000 0.225 1973 D C 0.333 176.596 176.300 -0.062 0.000 1.212 1973 D CA 0.975 54.917 54.000 -0.097 0.000 0.632 1973 D CB -1.119 39.633 40.800 -0.079 0.000 0.994 1973 D HN 0.560 nan 8.370 nan 0.000 0.407 1974 A N 1.679 124.476 122.820 -0.039 0.000 3.175 1974 A HA 0.305 4.625 4.320 0.000 0.000 0.289 1974 A C 1.441 179.067 177.584 0.070 0.000 1.429 1974 A CA 0.138 52.187 52.037 0.020 0.000 1.155 1974 A CB 0.518 19.549 19.000 0.050 0.000 1.169 1974 A HN 0.292 nan 8.150 nan 0.000 0.574 1975 Q N 1.485 121.319 119.800 0.056 0.000 2.133 1975 Q HA -0.172 4.168 4.340 0.000 0.000 0.208 1975 Q C 1.871 177.978 176.000 0.180 0.000 0.991 1975 Q CA 2.724 58.613 55.803 0.145 0.000 0.867 1975 Q CB -0.431 28.365 28.738 0.096 0.000 0.911 1975 Q HN 0.731 nan 8.270 nan 0.000 0.417 1976 G N -0.327 108.534 108.800 0.102 0.000 2.679 1976 G HA2 -0.321 3.639 3.960 0.000 0.000 0.217 1976 G HA3 -0.321 3.639 3.960 0.000 0.000 0.217 1976 G C 1.397 176.347 174.900 0.083 0.000 1.267 1976 G CA 1.804 46.950 45.100 0.075 0.000 0.799 1976 G HN 0.327 nan 8.290 nan 0.000 0.606 1977 V N 0.860 120.829 119.914 0.092 0.000 2.255 1977 V HA -0.163 3.957 4.120 0.000 0.000 0.247 1977 V C 2.334 178.495 176.094 0.112 0.000 1.051 1977 V CA 2.020 64.370 62.300 0.083 0.000 1.018 1977 V CB -0.953 30.920 31.823 0.084 0.000 0.641 1977 V HN 0.338 nan 8.190 nan 0.000 0.445 1978 F N 1.370 121.314 119.950 -0.009 0.000 2.067 1978 F HA -0.354 4.173 4.527 0.000 0.000 0.295 1978 F C 2.637 178.424 175.800 -0.021 0.000 1.142 1978 F CA 2.483 60.472 58.000 -0.018 0.000 1.230 1978 F CB -0.916 38.074 39.000 -0.017 0.000 0.941 1978 F HN 0.100 nan 8.300 nan 0.000 0.518 1979 Q N 0.102 119.816 119.800 -0.144 0.000 2.182 1979 Q HA -0.241 4.099 4.340 0.000 0.000 0.213 1979 Q C 2.211 178.094 176.000 -0.195 0.000 1.000 1979 Q CA 2.162 57.818 55.803 -0.246 0.000 0.889 1979 Q CB -0.944 27.759 28.738 -0.059 0.000 0.932 1979 Q HN 0.501 nan 8.270 nan 0.000 0.415 1980 I N 0.212 120.721 120.570 -0.101 0.000 2.076 1980 I HA -0.278 3.892 4.170 0.000 0.000 0.237 1980 I C 2.376 178.425 176.117 -0.113 0.000 1.059 1980 I CA 1.157 62.409 61.300 -0.080 0.000 1.317 1980 I CB -1.264 36.714 38.000 -0.036 0.000 1.037 1980 I HN 0.132 nan 8.210 nan 0.000 0.398 1981 L N -0.036 121.118 121.223 -0.115 0.000 2.042 1981 L HA -0.192 4.148 4.340 0.000 0.000 0.210 1981 L C 2.484 179.260 176.870 -0.157 0.000 1.076 1981 L CA 1.618 56.391 54.840 -0.111 0.000 0.749 1981 L CB -0.847 41.168 42.059 -0.074 0.000 0.893 1981 L HN 0.294 nan 8.230 nan 0.000 0.432 1982 I N -0.744 119.663 120.570 -0.272 0.000 2.439 1982 I HA -0.210 3.960 4.170 0.000 0.000 0.251 1982 I C 2.641 178.641 176.117 -0.195 0.000 1.139 1982 I CA 1.141 62.269 61.300 -0.286 0.000 1.438 1982 I CB -0.114 37.572 38.000 -0.524 0.000 1.085 1982 I HN 0.226 nan 8.210 nan 0.000 0.427 1983 R N 1.091 121.482 120.500 -0.183 0.000 2.189 1983 R HA -0.113 4.227 4.340 0.000 0.000 0.223 1983 R C 0.761 177.012 176.300 -0.081 0.000 1.092 1983 R CA 0.566 56.597 56.100 -0.116 0.000 0.989 1983 R CB -0.643 29.597 30.300 -0.100 0.000 0.876 1983 R HN 0.501 nan 8.270 nan 0.000 0.457 1984 N N 1.128 119.778 118.700 -0.084 0.000 2.470 1984 N HA -0.047 4.693 4.740 0.000 0.000 0.268 1984 N C 1.060 176.538 175.510 -0.053 0.000 1.136 1984 N CA -0.158 52.855 53.050 -0.061 0.000 0.961 1984 N CB 0.922 39.374 38.487 -0.059 0.000 1.067 1984 N HN -0.027 nan 8.380 nan 0.000 0.468 1985 R N 3.736 124.213 120.500 -0.039 0.000 2.115 1985 R HA -0.070 4.270 4.340 0.000 0.000 0.226 1985 R C 1.538 177.822 176.300 -0.028 0.000 1.100 1985 R CA 1.341 57.423 56.100 -0.030 0.000 0.980 1985 R CB -0.392 29.894 30.300 -0.022 0.000 0.875 1985 R HN 0.710 nan 8.270 nan 0.000 0.445 1986 A N 0.907 123.710 122.820 -0.029 0.000 1.940 1986 A HA -0.081 4.239 4.320 0.000 0.000 0.219 1986 A C 0.964 178.531 177.584 -0.028 0.000 1.176 1986 A CA 1.657 53.679 52.037 -0.026 0.000 0.631 1986 A CB -0.821 18.164 19.000 -0.026 0.000 0.814 1986 A HN 0.421 nan 8.150 nan 0.000 0.446 1987 T N 1.997 116.528 114.554 -0.039 0.000 2.793 1987 T HA 0.175 4.525 4.350 0.000 0.000 0.289 1987 T C -0.154 174.522 174.700 -0.040 0.000 0.956 1987 T CA -0.023 62.050 62.100 -0.046 0.000 1.177 1987 T CB 0.335 69.166 68.868 -0.062 0.000 0.897 1987 T HN 0.338 nan 8.240 nan 0.000 0.533 1988 D N 3.236 123.617 120.400 -0.033 0.000 2.389 1988 D HA 0.006 4.646 4.640 0.000 0.000 0.263 1988 D C 1.008 177.282 176.300 -0.043 0.000 1.255 1988 D CA -0.127 53.858 54.000 -0.024 0.000 0.914 1988 D CB 0.365 41.160 40.800 -0.008 0.000 1.116 1988 D HN 0.477 nan 8.370 nan 0.000 0.502 1989 L N 2.536 123.740 121.223 -0.032 0.000 2.395 1989 L HA 0.015 4.355 4.340 0.000 0.000 0.218 1989 L C 0.896 177.749 176.870 -0.030 0.000 1.130 1989 L CA 0.604 55.422 54.840 -0.037 0.000 0.826 1989 L CB 0.104 42.153 42.059 -0.016 0.000 0.941 1989 L HN 0.328 nan 8.230 nan 0.000 0.451 1990 D N 0.462 120.856 120.400 -0.009 0.000 2.462 1990 D HA 0.203 4.843 4.640 0.000 0.000 0.221 1990 D C 0.689 177.010 176.300 0.035 0.000 1.173 1990 D CA 0.050 54.059 54.000 0.015 0.000 0.831 1990 D CB 0.680 41.499 40.800 0.031 0.000 1.001 1990 D HN 0.068 nan 8.370 nan 0.000 0.499 1991 A N 1.640 124.468 122.820 0.012 0.000 2.531 1991 A HA 0.228 4.548 4.320 0.000 0.000 0.236 1991 A C 0.838 178.546 177.584 0.207 0.000 1.062 1991 A CA 0.030 52.114 52.037 0.079 0.000 0.760 1991 A CB 0.271 19.303 19.000 0.053 0.000 0.995 1991 A HN 0.270 nan 8.150 nan 0.000 0.501 1992 R N 2.039 122.657 120.500 0.197 0.000 2.758 1992 R HA 0.795 5.135 4.340 0.000 0.000 0.265 1992 R C -0.428 175.923 176.300 0.085 0.000 1.016 1992 R CA -0.845 55.358 56.100 0.172 0.000 1.040 1992 R CB 0.981 31.347 30.300 0.111 0.000 1.152 1992 R HN 0.645 nan 8.270 nan 0.000 0.503 1993 M N 0.322 119.887 119.600 -0.058 0.000 2.705 1993 M HA 0.256 4.736 4.480 0.000 0.000 0.272 1993 M C 0.838 177.125 176.300 -0.022 0.000 1.172 1993 M CA -1.035 54.150 55.300 -0.191 0.000 0.901 1993 M CB 0.752 33.150 32.600 -0.338 0.000 1.516 1993 M HN 0.631 nan 8.290 nan 0.000 0.530 1994 H N 0.920 119.964 119.070 -0.043 0.000 2.457 1994 H HA -0.108 4.448 4.556 0.000 0.000 0.297 1994 H C 0.825 176.152 175.328 -0.001 0.000 1.092 1994 H CA 1.471 57.510 56.048 -0.015 0.000 1.309 1994 H CB -0.434 29.317 29.762 -0.017 0.000 1.382 1994 H HN 0.543 nan 8.280 nan 0.000 0.535 1995 D N -1.533 118.928 120.400 0.102 0.000 2.363 1995 D HA 0.126 4.766 4.640 0.000 0.000 0.214 1995 D C 1.271 177.619 176.300 0.079 0.000 1.093 1995 D CA 0.497 54.547 54.000 0.083 0.000 0.837 1995 D CB -0.061 40.782 40.800 0.073 0.000 0.948 1995 D HN 0.300 nan 8.370 nan 0.000 0.507 1996 G N 1.663 110.501 108.800 0.064 0.000 2.198 1996 G HA2 -0.262 3.698 3.960 0.000 0.000 0.257 1996 G HA3 -0.262 3.698 3.960 0.000 0.000 0.257 1996 G C 0.305 175.248 174.900 0.071 0.000 1.042 1996 G CA 0.447 45.591 45.100 0.073 0.000 0.791 1996 G HN 0.576 nan 8.290 nan 0.000 0.502 1997 T N -0.161 114.403 114.554 0.016 0.000 2.832 1997 T HA 0.590 4.940 4.350 0.000 0.000 0.296 1997 T C 0.770 175.541 174.700 0.118 0.000 0.968 1997 T CA 0.227 62.332 62.100 0.008 0.000 1.107 1997 T CB 1.724 70.532 68.868 -0.099 0.000 0.916 1997 T HN 1.150 nan 8.240 nan 0.000 0.517 1998 T N 0.845 115.482 114.554 0.137 0.000 2.882 1998 T HA 0.348 4.698 4.350 0.000 0.000 0.287 1998 T C -1.925 172.865 174.700 0.150 0.000 1.014 1998 T CA -1.940 60.271 62.100 0.185 0.000 1.049 1998 T CB 0.883 69.806 68.868 0.092 0.000 1.001 1998 T HN 0.197 nan 8.240 nan 0.000 0.525 1999 P HA -0.025 nan 4.420 nan 0.000 0.218 1999 P C 1.831 179.129 177.300 -0.004 0.000 1.149 1999 P CA 0.275 63.373 63.100 -0.003 0.000 0.817 1999 P CB -0.002 31.633 31.700 -0.107 0.000 0.785 2000 L N -0.830 120.398 121.223 0.008 0.000 2.189 2000 L HA -0.169 4.171 4.340 0.000 0.000 0.214 2000 L C 1.856 178.714 176.870 -0.020 0.000 1.097 2000 L CA 1.787 56.633 54.840 0.010 0.000 0.764 2000 L CB -0.721 41.356 42.059 0.032 0.000 0.900 2000 L HN -0.018 nan 8.230 nan 0.000 0.436 2001 I N -0.364 120.176 120.570 -0.050 0.000 2.162 2001 I HA -0.286 3.884 4.170 0.000 0.000 0.238 2001 I C 2.634 178.580 176.117 -0.285 0.000 1.076 2001 I CA 1.001 62.189 61.300 -0.186 0.000 1.353 2001 I CB -1.187 36.652 38.000 -0.269 0.000 1.063 2001 I HN 0.219 nan 8.210 nan 0.000 0.408 2002 L N 1.192 122.276 121.223 -0.231 0.000 1.963 2002 L HA -0.273 4.067 4.340 0.000 0.000 0.220 2002 L C 2.944 179.718 176.870 -0.160 0.000 1.076 2002 L CA 1.905 56.619 54.840 -0.210 0.000 0.772 2002 L CB -1.280 40.714 42.059 -0.109 0.000 0.892 2002 L HN 0.232 nan 8.230 nan 0.000 0.435 2003 A N 0.242 122.989 122.820 -0.121 0.000 1.909 2003 A HA -0.354 3.966 4.320 0.000 0.000 0.221 2003 A C 2.519 180.052 177.584 -0.085 0.000 1.223 2003 A CA 2.930 54.898 52.037 -0.114 0.000 0.658 2003 A CB -1.064 17.883 19.000 -0.088 0.000 0.831 2003 A HN 0.527 nan 8.150 nan 0.000 0.462 2004 A N -0.021 122.759 122.820 -0.067 0.000 1.898 2004 A HA -0.145 4.175 4.320 0.000 0.000 0.216 2004 A C 2.273 179.852 177.584 -0.009 0.000 1.181 2004 A CA 1.935 53.962 52.037 -0.016 0.000 0.620 2004 A CB -0.476 18.545 19.000 0.036 0.000 0.819 2004 A HN 0.778 nan 8.150 nan 0.000 0.442 2005 R N -0.363 120.093 120.500 -0.074 0.000 2.057 2005 R HA 0.159 4.499 4.340 0.000 0.000 0.224 2005 R C 1.509 177.786 176.300 -0.039 0.000 1.136 2005 R CA 1.151 57.233 56.100 -0.031 0.000 0.968 2005 R CB -0.892 29.341 30.300 -0.111 0.000 0.863 2005 R HN 0.355 nan 8.270 nan 0.000 0.433 2006 L N 2.265 123.435 121.223 -0.088 0.000 2.757 2006 L HA 0.010 4.350 4.340 0.000 0.000 0.243 2006 L C 0.569 177.407 176.870 -0.054 0.000 1.182 2006 L CA 0.551 55.349 54.840 -0.070 0.000 0.851 2006 L CB -0.906 41.098 42.059 -0.092 0.000 0.989 2006 L HN 0.480 nan 8.230 nan 0.000 0.457 2007 A N 0.393 123.189 122.820 -0.040 0.000 1.897 2007 A HA -0.114 4.206 4.320 0.000 0.000 0.251 2007 A C 0.399 177.954 177.584 -0.049 0.000 1.288 2007 A CA 0.847 52.865 52.037 -0.033 0.000 0.747 2007 A CB -1.792 17.199 19.000 -0.016 0.000 1.182 2007 A HN 0.346 nan 8.150 nan 0.000 0.292 2008 V N -1.047 118.825 119.914 -0.071 0.000 2.975 2008 V HA 0.776 4.896 4.120 0.000 0.000 0.318 2008 V C 0.321 176.371 176.094 -0.074 0.000 1.077 2008 V CA -1.137 61.111 62.300 -0.087 0.000 1.000 2008 V CB 1.605 33.343 31.823 -0.141 0.000 1.066 2008 V HN 0.602 nan 8.190 nan 0.000 0.452 2009 E N 0.884 121.045 120.200 -0.065 0.000 2.313 2009 E HA 0.494 4.844 4.350 0.000 0.000 0.272 2009 E C 1.129 177.705 176.600 -0.040 0.000 1.038 2009 E CA 0.336 56.712 56.400 -0.040 0.000 0.863 2009 E CB 1.326 31.011 29.700 -0.025 0.000 1.060 2009 E HN 1.279 nan 8.360 nan 0.000 0.402 2010 G N 3.095 111.888 108.800 -0.012 0.000 4.300 2010 G HA2 -0.480 3.480 3.960 0.000 0.000 0.222 2010 G HA3 -0.480 3.480 3.960 0.000 0.000 0.222 2010 G C 1.243 176.163 174.900 0.033 0.000 1.344 2010 G CA 0.881 45.992 45.100 0.019 0.000 1.014 2010 G HN 0.596 nan 8.290 nan 0.000 0.641 2011 M N -0.101 119.481 119.600 -0.029 0.000 2.240 2011 M HA -0.286 4.194 4.480 0.000 0.000 0.250 2011 M C 2.585 178.920 176.300 0.059 0.000 1.075 2011 M CA 2.654 57.901 55.300 -0.088 0.000 1.072 2011 M CB -0.961 31.302 32.600 -0.561 0.000 1.305 2011 M HN 0.487 nan 8.290 nan 0.000 0.414 2012 L N 0.458 121.677 121.223 -0.006 0.000 1.978 2012 L HA -0.240 4.100 4.340 0.000 0.000 0.218 2012 L C 2.449 179.346 176.870 0.046 0.000 1.075 2012 L CA 2.037 56.888 54.840 0.019 0.000 0.767 2012 L CB -0.622 41.440 42.059 0.004 0.000 0.890 2012 L HN 0.283 nan 8.230 nan 0.000 0.434 2013 E N -0.408 119.816 120.200 0.040 0.000 2.049 2013 E HA -0.267 4.083 4.350 0.000 0.000 0.198 2013 E C 1.872 178.494 176.600 0.036 0.000 1.007 2013 E CA 1.858 58.276 56.400 0.030 0.000 0.809 2013 E CB -0.321 29.394 29.700 0.025 0.000 0.749 2013 E HN 0.623 nan 8.360 nan 0.000 0.450 2014 D N 0.628 121.082 120.400 0.090 0.000 2.123 2014 D HA -0.161 4.479 4.640 0.000 0.000 0.196 2014 D C 2.123 178.445 176.300 0.036 0.000 0.992 2014 D CA 0.794 54.839 54.000 0.075 0.000 0.833 2014 D CB -0.398 40.501 40.800 0.165 0.000 0.954 2014 D HN 0.161 nan 8.370 nan 0.000 0.455 2015 L N 0.210 121.507 121.223 0.123 0.000 2.083 2015 L HA -0.112 4.228 4.340 0.000 0.000 0.209 2015 L C 2.448 179.315 176.870 -0.006 0.000 1.083 2015 L CA 0.596 55.477 54.840 0.068 0.000 0.752 2015 L CB -0.260 41.872 42.059 0.122 0.000 0.899 2015 L HN 0.048 nan 8.230 nan 0.000 0.433 2016 I N -0.068 120.496 120.570 -0.011 0.000 2.113 2016 I HA -0.305 3.865 4.170 0.000 0.000 0.238 2016 I C 2.241 178.256 176.117 -0.170 0.000 1.070 2016 I CA 1.245 62.513 61.300 -0.054 0.000 1.332 2016 I CB -0.486 37.499 38.000 -0.026 0.000 1.044 2016 I HN 0.337 nan 8.210 nan 0.000 0.402 2017 N N 0.763 119.357 118.700 -0.176 0.000 2.137 2017 N HA -0.161 4.579 4.740 0.000 0.000 0.190 2017 N C 1.749 176.981 175.510 -0.463 0.000 1.017 2017 N CA 1.516 54.388 53.050 -0.296 0.000 0.859 2017 N CB -0.499 37.897 38.487 -0.151 0.000 1.002 2017 N HN 0.213 nan 8.380 nan 0.000 0.428 2018 S N -0.258 115.295 115.700 -0.244 0.000 2.660 2018 S HA -0.015 4.455 4.470 0.000 0.000 0.228 2018 S C -0.552 174.021 174.600 -0.045 0.000 0.966 2018 S CA 0.009 58.127 58.200 -0.137 0.000 0.940 2018 S CB -0.403 62.748 63.200 -0.082 0.000 0.773 2018 S HN 0.465 nan 8.310 nan 0.000 0.535 2019 H N -0.777 118.290 119.070 -0.006 0.000 2.960 2019 H HA -0.114 4.442 4.556 -0.000 0.000 0.325 2019 H C 0.163 175.491 175.328 0.001 0.000 1.301 2019 H CA 0.268 56.316 56.048 -0.001 0.000 1.190 2019 H CB -1.985 27.773 29.762 -0.005 0.000 1.462 2019 H HN 0.455 nan 8.280 nan 0.000 0.442 2020 A N 0.518 123.368 122.820 0.050 0.000 2.340 2020 A HA 0.338 4.658 4.320 0.000 0.000 0.268 2020 A C 0.457 178.073 177.584 0.053 0.000 1.100 2020 A CA -0.161 51.903 52.037 0.045 0.000 0.803 2020 A CB 0.520 19.537 19.000 0.028 0.000 1.043 2020 A HN 0.430 nan 8.150 nan 0.000 0.488 2021 D N 1.942 122.373 120.400 0.051 0.000 2.363 2021 D HA 0.043 4.683 4.640 0.000 0.000 0.263 2021 D C 1.298 177.628 176.300 0.050 0.000 1.258 2021 D CA 0.513 54.544 54.000 0.051 0.000 0.907 2021 D CB 0.977 41.806 40.800 0.048 0.000 1.107 2021 D HN 0.391 nan 8.370 nan 0.000 0.495 2022 V N 3.300 123.243 119.914 0.047 0.000 2.871 2022 V HA -0.077 4.043 4.120 0.000 0.000 0.256 2022 V C 0.782 176.905 176.094 0.048 0.000 1.082 2022 V CA 1.198 63.525 62.300 0.044 0.000 1.105 2022 V CB -0.283 31.562 31.823 0.037 0.000 0.713 2022 V HN 0.323 nan 8.190 nan 0.000 0.473 2023 N N 1.400 120.128 118.700 0.046 0.000 2.236 2023 N HA 0.444 5.184 4.740 0.000 0.000 0.196 2023 N C 0.640 176.187 175.510 0.061 0.000 1.114 2023 N CA 0.636 53.714 53.050 0.046 0.000 0.859 2023 N CB 0.236 38.743 38.487 0.033 0.000 0.982 2023 N HN 0.655 nan 8.380 nan 0.000 0.493 2024 A N 0.765 123.625 122.820 0.067 0.000 2.587 2024 A HA 0.270 4.590 4.320 0.000 0.000 0.233 2024 A C 0.519 178.167 177.584 0.105 0.000 1.049 2024 A CA 0.039 52.123 52.037 0.078 0.000 0.754 2024 A CB -0.041 19.003 19.000 0.074 0.000 0.977 2024 A HN 0.163 nan 8.150 nan 0.000 0.509 2025 V N 0.500 120.480 119.914 0.111 0.000 2.864 2025 V HA 0.727 4.847 4.120 0.000 0.000 0.314 2025 V C -0.334 175.847 176.094 0.144 0.000 1.073 2025 V CA -0.740 61.648 62.300 0.146 0.000 0.956 2025 V CB 1.862 33.772 31.823 0.145 0.000 1.023 2025 V HN 0.974 nan 8.190 nan 0.000 0.435 2026 D N 1.208 121.722 120.400 0.189 0.000 2.398 2026 D HA 0.167 4.807 4.640 0.000 0.000 0.247 2026 D C 0.537 176.914 176.300 0.129 0.000 1.227 2026 D CA -0.237 53.865 54.000 0.170 0.000 0.980 2026 D CB 0.375 41.319 40.800 0.240 0.000 1.106 2026 D HN 0.544 nan 8.370 nan 0.000 0.493 2027 D N -0.511 119.954 120.400 0.108 0.000 2.271 2027 D HA -0.114 4.526 4.640 0.000 0.000 0.207 2027 D C 1.396 177.731 176.300 0.058 0.000 0.983 2027 D CA 0.818 54.864 54.000 0.076 0.000 0.878 2027 D CB -0.175 40.666 40.800 0.068 0.000 0.920 2027 D HN 0.243 nan 8.370 nan 0.000 0.479 2028 L N -0.612 120.650 121.223 0.065 0.000 2.611 2028 L HA 0.265 4.605 4.340 0.000 0.000 0.229 2028 L C 1.356 178.220 176.870 -0.011 0.000 1.137 2028 L CA 0.224 55.069 54.840 0.009 0.000 0.901 2028 L CB -0.154 41.895 42.059 -0.016 0.000 1.098 2028 L HN 0.078 nan 8.230 nan 0.000 0.456 2029 G N 0.378 109.207 108.800 0.047 0.000 2.295 2029 G HA2 -0.322 3.638 3.960 0.000 0.000 0.287 2029 G HA3 -0.322 3.638 3.960 0.000 0.000 0.287 2029 G C 0.284 175.241 174.900 0.095 0.000 1.055 2029 G CA 0.161 45.301 45.100 0.067 0.000 0.922 2029 G HN 0.367 nan 8.290 nan 0.000 0.503 2030 K N 0.418 120.897 120.400 0.130 0.000 2.182 2030 K HA 0.589 4.909 4.320 0.000 0.000 0.262 2030 K C 0.669 177.511 176.600 0.403 0.000 0.957 2030 K CA -0.090 56.320 56.287 0.204 0.000 0.842 2030 K CB 1.515 33.923 32.500 -0.154 0.000 1.099 2030 K HN 0.383 nan 8.250 nan 0.000 0.438 2031 S N 0.907 116.895 115.700 0.480 0.000 2.672 2031 S HA 0.338 4.808 4.470 0.000 0.000 0.276 2031 S C 1.225 176.044 174.600 0.365 0.000 1.207 2031 S CA -0.440 57.933 58.200 0.290 0.000 1.002 2031 S CB 1.624 64.882 63.200 0.096 0.000 0.998 2031 S HN 0.659 nan 8.310 nan 0.000 0.542 2032 A N 0.650 123.627 122.820 0.261 0.000 2.032 2032 A HA -0.076 4.244 4.320 0.000 0.000 0.221 2032 A C 1.957 179.678 177.584 0.227 0.000 1.165 2032 A CA 1.615 53.798 52.037 0.245 0.000 0.645 2032 A CB -1.006 18.065 19.000 0.118 0.000 0.807 2032 A HN 0.917 nan 8.150 nan 0.000 0.453 2033 L N -0.741 120.565 121.223 0.137 0.000 2.017 2033 L HA -0.146 4.194 4.340 0.000 0.000 0.208 2033 L C 2.175 179.121 176.870 0.126 0.000 1.073 2033 L CA 2.498 57.386 54.840 0.081 0.000 0.745 2033 L CB -0.946 41.104 42.059 -0.015 0.000 0.894 2033 L HN 0.588 nan 8.230 nan 0.000 0.432 2034 H N -1.927 117.211 119.070 0.114 0.000 2.287 2034 H HA -0.283 4.273 4.556 0.000 0.000 0.292 2034 H C 1.911 177.274 175.328 0.058 0.000 1.068 2034 H CA 2.398 58.473 56.048 0.045 0.000 1.192 2034 H CB -0.487 29.262 29.762 -0.021 0.000 1.360 2034 H HN 0.405 nan 8.280 nan 0.000 0.516 2035 W N 0.462 121.868 121.300 0.176 0.000 2.302 2035 W HA -0.300 4.360 4.660 0.000 0.000 0.320 2035 W C 2.965 179.521 176.519 0.063 0.000 1.241 2035 W CA 1.373 58.773 57.345 0.091 0.000 1.264 2035 W CB -0.760 28.742 29.460 0.070 0.000 1.154 2035 W HN 0.274 nan 8.180 nan 0.000 0.483 2036 A N 0.147 123.160 122.820 0.323 0.000 1.997 2036 A HA -0.198 4.122 4.320 0.000 0.000 0.221 2036 A C 1.992 179.650 177.584 0.123 0.000 1.172 2036 A CA 2.630 54.773 52.037 0.177 0.000 0.645 2036 A CB -1.232 17.843 19.000 0.124 0.000 0.813 2036 A HN 0.299 nan 8.150 nan 0.000 0.454 2037 A N -1.001 121.891 122.820 0.120 0.000 2.072 2037 A HA 0.426 4.746 4.320 0.000 0.000 0.216 2037 A C 2.354 179.967 177.584 0.049 0.000 1.156 2037 A CA 1.368 53.447 52.037 0.070 0.000 0.701 2037 A CB -0.641 18.402 19.000 0.072 0.000 0.816 2037 A HN 0.938 nan 8.150 nan 0.000 0.458 2038 A N 0.117 122.974 122.820 0.062 0.000 1.873 2038 A HA 0.031 4.351 4.320 0.000 0.000 0.215 2038 A C 1.820 179.437 177.584 0.056 0.000 1.186 2038 A CA 1.721 53.770 52.037 0.020 0.000 0.616 2038 A CB -0.964 18.011 19.000 -0.042 0.000 0.823 2038 A HN 1.108 nan 8.150 nan 0.000 0.442 2039 V N -2.554 117.426 119.914 0.111 0.000 3.337 2039 V HA 0.227 4.347 4.120 0.000 0.000 0.343 2039 V C 0.402 176.528 176.094 0.053 0.000 1.302 2039 V CA 0.232 62.587 62.300 0.093 0.000 1.268 2039 V CB -1.806 30.095 31.823 0.130 0.000 1.185 2039 V HN 0.548 nan 8.190 nan 0.000 0.447 2040 N N 2.847 121.568 118.700 0.035 0.000 2.700 2040 N HA -0.282 4.458 4.740 0.000 0.000 0.265 2040 N C 0.057 175.580 175.510 0.022 0.000 0.975 2040 N CA 1.048 54.108 53.050 0.018 0.000 0.800 2040 N CB -1.461 37.027 38.487 0.002 0.000 0.908 2040 N HN 0.840 nan 8.380 nan 0.000 0.551 2041 N N 0.805 119.527 118.700 0.036 0.000 3.322 2041 N HA 0.133 4.873 4.740 0.000 0.000 0.290 2041 N C 1.123 176.647 175.510 0.023 0.000 1.297 2041 N CA -0.248 52.821 53.050 0.032 0.000 1.167 2041 N CB 0.016 38.531 38.487 0.047 0.000 1.434 2041 N HN 0.134 nan 8.380 nan 0.000 0.526 2042 V N 1.367 121.287 119.914 0.010 0.000 2.250 2042 V HA -0.322 3.798 4.120 0.000 0.000 0.253 2042 V C 1.608 177.707 176.094 0.007 0.000 1.065 2042 V CA 2.026 64.326 62.300 0.000 0.000 1.039 2042 V CB -0.396 31.422 31.823 -0.008 0.000 0.647 2042 V HN 0.461 nan 8.190 nan 0.000 0.446 2043 D N 0.174 120.580 120.400 0.010 0.000 2.108 2043 D HA -0.194 4.446 4.640 0.000 0.000 0.190 2043 D C 2.243 178.556 176.300 0.022 0.000 0.995 2043 D CA 1.942 55.951 54.000 0.014 0.000 0.834 2043 D CB -0.736 40.069 40.800 0.009 0.000 0.967 2043 D HN 0.423 nan 8.370 nan 0.000 0.446 2044 A N 0.932 123.766 122.820 0.023 0.000 1.909 2044 A HA -0.264 4.056 4.320 0.000 0.000 0.221 2044 A C 2.323 179.932 177.584 0.040 0.000 1.223 2044 A CA 3.394 55.450 52.037 0.031 0.000 0.658 2044 A CB -1.204 17.818 19.000 0.037 0.000 0.831 2044 A HN 0.296 nan 8.150 nan 0.000 0.462 2045 A N -1.112 121.732 122.820 0.040 0.000 1.933 2045 A HA 0.043 4.363 4.320 0.000 0.000 0.218 2045 A C 2.266 179.886 177.584 0.060 0.000 1.175 2045 A CA 1.912 53.976 52.037 0.045 0.000 0.628 2045 A CB -0.898 18.117 19.000 0.025 0.000 0.814 2045 A HN 0.467 nan 8.150 nan 0.000 0.444 2046 V N -0.542 119.405 119.914 0.055 0.000 2.229 2046 V HA -0.227 3.893 4.120 0.000 0.000 0.243 2046 V C 2.529 178.675 176.094 0.087 0.000 1.042 2046 V CA 1.862 64.218 62.300 0.094 0.000 1.000 2046 V CB -1.101 30.764 31.823 0.070 0.000 0.637 2046 V HN 0.341 nan 8.190 nan 0.000 0.446 2047 V N -0.136 119.810 119.914 0.054 0.000 2.250 2047 V HA -0.365 3.755 4.120 0.000 0.000 0.253 2047 V C 2.425 178.542 176.094 0.040 0.000 1.065 2047 V CA 2.574 64.897 62.300 0.039 0.000 1.039 2047 V CB -0.682 31.157 31.823 0.028 0.000 0.647 2047 V HN 0.440 nan 8.190 nan 0.000 0.446 2048 L N -1.339 119.912 121.223 0.045 0.000 2.127 2048 L HA -0.202 4.138 4.340 0.000 0.000 0.211 2048 L C 2.223 179.122 176.870 0.049 0.000 1.089 2048 L CA 1.598 56.464 54.840 0.044 0.000 0.757 2048 L CB -0.423 41.666 42.059 0.049 0.000 0.899 2048 L HN 0.286 nan 8.230 nan 0.000 0.434 2049 L N -0.770 120.499 121.223 0.076 0.000 2.044 2049 L HA -0.144 4.196 4.340 0.000 0.000 0.205 2049 L C 1.875 178.748 176.870 0.006 0.000 1.075 2049 L CA 0.915 55.804 54.840 0.082 0.000 0.747 2049 L CB -0.407 41.796 42.059 0.240 0.000 0.903 2049 L HN 0.122 nan 8.230 nan 0.000 0.435 2050 K N 0.752 121.153 120.400 0.002 0.000 2.668 2050 K HA 0.001 4.321 4.320 0.000 0.000 0.204 2050 K C -0.306 176.290 176.600 -0.006 0.000 1.016 2050 K CA 0.444 56.716 56.287 -0.026 0.000 1.131 2050 K CB -0.727 31.767 32.500 -0.010 0.000 0.891 2050 K HN 0.340 nan 8.250 nan 0.000 0.499 2051 N N -0.120 118.583 118.700 0.005 0.000 2.646 2051 N HA 0.166 4.906 4.740 0.000 0.000 0.296 2051 N C 0.270 175.790 175.510 0.017 0.000 1.886 2051 N CA 0.264 53.320 53.050 0.011 0.000 0.855 2051 N CB 1.585 40.078 38.487 0.010 0.000 1.336 2051 N HN 0.241 nan 8.380 nan 0.000 0.496 2052 G N 1.382 110.188 108.800 0.011 0.000 2.779 2052 G HA2 -0.018 3.942 3.960 0.000 0.000 0.284 2052 G HA3 -0.018 3.942 3.960 0.000 0.000 0.284 2052 G C -0.053 174.857 174.900 0.016 0.000 1.326 2052 G CA 0.006 45.114 45.100 0.015 0.000 0.983 2052 G HN 1.386 nan 8.290 nan 0.000 0.555 2053 A N -0.925 121.906 122.820 0.019 0.000 1.478 2053 A HA 0.161 4.481 4.320 0.000 0.000 0.209 2053 A C 0.256 177.845 177.584 0.009 0.000 1.187 2053 A CA 1.420 53.466 52.037 0.016 0.000 0.583 2053 A CB -1.314 17.700 19.000 0.023 0.000 1.272 2053 A HN 2.547 nan 8.150 nan 0.000 0.177 2054 N N 1.873 120.572 118.700 -0.003 0.000 2.427 2054 N HA 0.090 4.830 4.740 0.000 0.000 0.269 2054 N C 1.360 176.854 175.510 -0.025 0.000 1.235 2054 N CA 0.521 53.567 53.050 -0.007 0.000 0.934 2054 N CB 0.591 39.071 38.487 -0.011 0.000 1.121 2054 N HN 0.783 nan 8.380 nan 0.000 0.480 2055 K N 1.846 122.251 120.400 0.008 0.000 2.432 2055 K HA 0.028 4.348 4.320 0.000 0.000 0.196 2055 K C -0.412 176.191 176.600 0.006 0.000 1.038 2055 K CA 0.871 57.168 56.287 0.017 0.000 0.986 2055 K CB 0.465 33.010 32.500 0.075 0.000 0.782 2055 K HN 0.292 nan 8.250 nan 0.000 0.485 2056 D N 1.005 121.408 120.400 0.005 0.000 2.535 2056 D HA 0.079 4.719 4.640 0.000 0.000 0.229 2056 D C 0.023 176.329 176.300 0.010 0.000 1.238 2056 D CA -0.260 53.752 54.000 0.020 0.000 0.824 2056 D CB 0.317 41.140 40.800 0.038 0.000 1.045 2056 D HN 0.265 nan 8.370 nan 0.000 0.500 2057 M N 1.086 120.665 119.600 -0.036 0.000 2.247 2057 M HA -0.077 4.403 4.480 0.000 0.000 0.318 2057 M C -0.219 176.130 176.300 0.080 0.000 1.054 2057 M CA 0.789 56.078 55.300 -0.018 0.000 1.117 2057 M CB 0.665 33.202 32.600 -0.105 0.000 1.515 2057 M HN -0.152 nan 8.290 nan 0.000 0.442 2058 Q N 2.235 122.110 119.800 0.125 0.000 2.378 2058 Q HA 0.497 4.837 4.340 0.000 0.000 0.276 2058 Q C -1.072 175.026 176.000 0.163 0.000 1.083 2058 Q CA -1.216 54.678 55.803 0.151 0.000 0.856 2058 Q CB 1.590 30.348 28.738 0.034 0.000 1.383 2058 Q HN 0.826 nan 8.270 nan 0.000 0.458 2059 N N -0.119 118.581 118.700 0.000 0.000 2.545 2059 N HA 0.155 4.895 4.740 0.000 0.000 0.289 2059 N C -0.607 174.832 175.510 -0.119 0.000 1.279 2059 N CA -0.801 52.202 53.050 -0.078 0.000 0.824 2059 N CB 0.393 38.717 38.487 -0.272 0.000 1.395 2059 N HN 0.510 nan 8.380 nan 0.000 0.526 2060 N N 0.108 118.744 118.700 -0.107 0.000 2.938 2060 N HA 0.006 4.746 4.740 0.000 0.000 0.286 2060 N C -0.220 175.143 175.510 -0.244 0.000 1.316 2060 N CA 0.129 53.109 53.050 -0.117 0.000 1.063 2060 N CB -0.230 38.222 38.487 -0.058 0.000 1.388 2060 N HN 0.521 nan 8.380 nan 0.000 0.545 2061 R N -0.155 120.128 120.500 -0.361 0.000 2.518 2061 R HA 0.076 4.416 4.340 0.000 0.000 0.419 2061 R C -0.573 175.436 176.300 -0.485 0.000 0.902 2061 R CA -0.314 55.330 56.100 -0.761 0.000 1.146 2061 R CB 0.408 30.246 30.300 -0.770 0.000 1.652 2061 R HN 0.202 nan 8.270 nan 0.000 0.555 2062 E N 1.424 121.474 120.200 -0.251 0.000 2.476 2062 E HA -0.203 4.147 4.350 0.000 0.000 0.251 2062 E C -1.177 175.275 176.600 -0.247 0.000 1.130 2062 E CA 0.788 57.090 56.400 -0.162 0.000 0.736 2062 E CB -0.705 28.944 29.700 -0.085 0.000 1.298 2062 E HN 0.368 nan 8.360 nan 0.000 0.400 2063 E N 0.799 120.843 120.200 -0.259 0.000 2.081 2063 E HA 0.164 4.514 4.350 0.000 0.000 0.276 2063 E C -0.026 176.592 176.600 0.030 0.000 0.950 2063 E CA -0.250 55.983 56.400 -0.278 0.000 0.776 2063 E CB 1.465 31.026 29.700 -0.231 0.000 1.094 2063 E HN 0.095 nan 8.360 nan 0.000 0.402 2064 T N 3.161 117.768 114.554 0.089 0.000 2.937 2064 T HA 0.029 4.379 4.350 0.000 0.000 0.316 2064 T C -1.658 173.257 174.700 0.359 0.000 1.079 2064 T CA -1.333 60.906 62.100 0.232 0.000 1.131 2064 T CB 0.588 69.538 68.868 0.137 0.000 1.000 2064 T HN 0.185 nan 8.240 nan 0.000 0.549 2065 P HA -0.001 nan 4.420 nan 0.000 0.219 2065 P C 1.681 179.102 177.300 0.201 0.000 1.150 2065 P CA 0.192 63.514 63.100 0.370 0.000 0.814 2065 P CB -0.047 31.721 31.700 0.114 0.000 0.787 2066 L N -1.300 120.012 121.223 0.148 0.000 2.089 2066 L HA -0.203 4.137 4.340 0.000 0.000 0.213 2066 L C 2.130 179.090 176.870 0.150 0.000 1.079 2066 L CA 1.824 56.731 54.840 0.113 0.000 0.758 2066 L CB -1.394 40.728 42.059 0.104 0.000 0.891 2066 L HN -0.140 nan 8.230 nan 0.000 0.433 2067 F N -0.652 119.324 119.950 0.044 0.000 2.000 2067 F HA -0.241 4.286 4.527 -0.000 0.000 0.295 2067 F C 2.166 177.973 175.800 0.012 0.000 1.159 2067 F CA 1.944 59.959 58.000 0.025 0.000 1.171 2067 F CB -0.681 38.328 39.000 0.015 0.000 0.971 2067 F HN 0.026 nan 8.300 nan 0.000 0.479 2068 L N 0.765 122.068 121.223 0.133 0.000 2.054 2068 L HA -0.335 4.005 4.340 0.000 0.000 0.220 2068 L C 2.658 179.487 176.870 -0.069 0.000 1.081 2068 L CA 2.190 57.015 54.840 -0.024 0.000 0.780 2068 L CB -1.817 40.234 42.059 -0.013 0.000 0.893 2068 L HN 0.334 nan 8.230 nan 0.000 0.438 2069 A N -0.467 122.342 122.820 -0.019 0.000 1.848 2069 A HA -0.288 4.032 4.320 0.000 0.000 0.217 2069 A C 2.484 180.020 177.584 -0.080 0.000 1.220 2069 A CA 2.724 54.737 52.037 -0.040 0.000 0.645 2069 A CB -1.432 17.553 19.000 -0.026 0.000 0.842 2069 A HN 0.446 nan 8.150 nan 0.000 0.451 2070 A N -0.649 122.116 122.820 -0.092 0.000 2.054 2070 A HA -0.269 4.051 4.320 0.000 0.000 0.223 2070 A C 2.178 179.703 177.584 -0.099 0.000 1.169 2070 A CA 2.425 54.407 52.037 -0.092 0.000 0.655 2070 A CB -0.583 18.351 19.000 -0.110 0.000 0.812 2070 A HN 0.682 nan 8.150 nan 0.000 0.462 2071 R N -0.431 119.915 120.500 -0.256 0.000 2.078 2071 R HA -0.105 4.235 4.340 0.000 0.000 0.224 2071 R C 1.909 178.247 176.300 0.063 0.000 1.149 2071 R CA 1.453 57.434 56.100 -0.197 0.000 0.916 2071 R CB -0.391 29.724 30.300 -0.309 0.000 0.821 2071 R HN 0.411 nan 8.270 nan 0.000 0.434 2072 E N -0.246 119.946 120.200 -0.013 0.000 2.333 2072 E HA -0.130 4.220 4.350 0.000 0.000 0.200 2072 E C 1.047 177.564 176.600 -0.138 0.000 1.010 2072 E CA 1.212 57.608 56.400 -0.007 0.000 0.841 2072 E CB -0.214 29.462 29.700 -0.041 0.000 0.757 2072 E HN 0.777 nan 8.360 nan 0.000 0.508 2073 G N 1.756 110.434 108.800 -0.204 0.000 2.168 2073 G HA2 -0.336 3.624 3.960 0.000 0.000 0.257 2073 G HA3 -0.336 3.624 3.960 0.000 0.000 0.257 2073 G C 0.399 175.124 174.900 -0.292 0.000 0.997 2073 G CA 0.712 45.480 45.100 -0.553 0.000 0.708 2073 G HN 0.386 nan 8.290 nan 0.000 0.520 2074 S N -0.389 115.224 115.700 -0.146 0.000 2.519 2074 S HA 0.342 4.812 4.470 0.000 0.000 0.320 2074 S C 0.894 175.484 174.600 -0.016 0.000 1.179 2074 S CA 0.206 58.366 58.200 -0.065 0.000 1.173 2074 S CB 0.583 63.758 63.200 -0.041 0.000 1.224 2074 S HN 0.753 nan 8.310 nan 0.000 0.542 2075 Y N 3.279 123.503 120.300 -0.127 0.000 2.286 2075 Y HA 0.013 4.563 4.550 -0.000 0.000 0.293 2075 Y C 1.864 177.695 175.900 -0.115 0.000 1.124 2075 Y CA 1.404 59.433 58.100 -0.118 0.000 1.178 2075 Y CB 0.004 38.393 38.460 -0.119 0.000 1.010 2075 Y HN 0.622 nan 8.280 nan 0.000 0.536 2076 E N -0.288 119.989 120.200 0.128 0.000 2.028 2076 E HA -0.126 4.224 4.350 0.000 0.000 0.190 2076 E C 2.205 178.758 176.600 -0.079 0.000 0.984 2076 E CA 2.022 58.450 56.400 0.046 0.000 0.800 2076 E CB -0.586 29.153 29.700 0.065 0.000 0.758 2076 E HN 0.306 nan 8.360 nan 0.000 0.448 2077 T N 0.666 115.187 114.554 -0.055 0.000 2.759 2077 T HA -0.199 4.151 4.350 0.000 0.000 0.269 2077 T C 1.858 176.491 174.700 -0.112 0.000 1.042 2077 T CA 1.273 63.334 62.100 -0.065 0.000 1.140 2077 T CB -0.377 68.477 68.868 -0.024 0.000 0.864 2077 T HN 0.281 nan 8.240 nan 0.000 0.455 2078 A N 1.693 124.423 122.820 -0.150 0.000 1.865 2078 A HA -0.144 4.176 4.320 0.000 0.000 0.217 2078 A C 2.223 179.650 177.584 -0.262 0.000 1.191 2078 A CA 1.887 53.810 52.037 -0.191 0.000 0.623 2078 A CB -0.602 18.261 19.000 -0.228 0.000 0.826 2078 A HN 0.432 nan 8.150 nan 0.000 0.444 2079 K N -0.355 119.793 120.400 -0.419 0.000 2.160 2079 K HA -0.141 4.179 4.320 0.000 0.000 0.206 2079 K C 1.826 178.281 176.600 -0.242 0.000 1.047 2079 K CA 1.694 57.714 56.287 -0.446 0.000 0.930 2079 K CB -0.278 31.890 32.500 -0.553 0.000 0.720 2079 K HN 0.280 nan 8.250 nan 0.000 0.450 2080 V N 1.189 120.968 119.914 -0.225 0.000 2.379 2080 V HA -0.230 3.890 4.120 0.000 0.000 0.245 2080 V C 2.087 177.985 176.094 -0.328 0.000 1.044 2080 V CA 1.411 63.550 62.300 -0.269 0.000 1.036 2080 V CB -0.215 31.482 31.823 -0.211 0.000 0.664 2080 V HN 0.232 nan 8.190 nan 0.000 0.453 2081 L N -1.177 119.935 121.223 -0.184 0.000 2.095 2081 L HA -0.062 4.278 4.340 0.000 0.000 0.204 2081 L C 2.226 179.045 176.870 -0.085 0.000 1.080 2081 L CA 1.135 55.909 54.840 -0.110 0.000 0.759 2081 L CB -0.973 41.071 42.059 -0.026 0.000 0.914 2081 L HN 0.155 nan 8.230 nan 0.000 0.439 2082 L N 0.120 121.307 121.223 -0.060 0.000 2.270 2082 L HA -0.262 4.078 4.340 0.000 0.000 0.217 2082 L C 1.962 178.771 176.870 -0.101 0.000 1.107 2082 L CA 1.676 56.520 54.840 0.006 0.000 0.772 2082 L CB -1.110 41.022 42.059 0.121 0.000 0.902 2082 L HN 0.391 nan 8.230 nan 0.000 0.439 2083 D N -1.452 118.827 120.400 -0.200 0.000 2.183 2083 D HA -0.071 4.569 4.640 0.000 0.000 0.205 2083 D C 1.475 177.458 176.300 -0.528 0.000 0.962 2083 D CA 0.869 54.660 54.000 -0.349 0.000 0.849 2083 D CB 0.058 40.652 40.800 -0.344 0.000 0.978 2083 D HN 0.492 nan 8.370 nan 0.000 0.488 2084 H N -0.420 118.466 119.070 -0.307 0.000 2.610 2084 H HA 0.139 4.695 4.556 0.000 0.000 0.302 2084 H C -0.318 175.016 175.328 0.009 0.000 1.063 2084 H CA -0.634 55.283 56.048 -0.219 0.000 1.159 2084 H CB -0.741 29.005 29.762 -0.027 0.000 1.427 2084 H HN -0.023 nan 8.280 nan 0.000 0.553 2085 F N 0.161 120.176 119.950 0.109 0.000 2.284 2085 F HA -0.273 4.254 4.527 -0.000 0.000 0.197 2085 F C 0.747 176.585 175.800 0.064 0.000 1.023 2085 F CA -0.118 57.919 58.000 0.062 0.000 0.858 2085 F CB -1.831 37.192 39.000 0.039 0.000 0.933 2085 F HN 0.255 nan 8.300 nan 0.000 0.803 2086 A N 1.531 124.458 122.820 0.178 0.000 2.351 2086 A HA 0.426 4.746 4.320 0.000 0.000 0.257 2086 A C 0.449 178.113 177.584 0.133 0.000 1.087 2086 A CA -0.360 51.758 52.037 0.137 0.000 0.798 2086 A CB 0.438 19.492 19.000 0.089 0.000 1.033 2086 A HN 0.648 nan 8.150 nan 0.000 0.488 2087 N N 0.090 118.853 118.700 0.106 0.000 2.420 2087 N HA 0.064 4.804 4.740 0.000 0.000 0.262 2087 N C 1.158 176.719 175.510 0.086 0.000 1.144 2087 N CA -0.033 53.070 53.050 0.089 0.000 0.952 2087 N CB 0.590 39.116 38.487 0.065 0.000 1.081 2087 N HN 0.624 nan 8.380 nan 0.000 0.480 2088 R N 2.306 122.858 120.500 0.087 0.000 2.275 2088 R HA 0.081 4.421 4.340 0.000 0.000 0.199 2088 R C -0.292 176.057 176.300 0.083 0.000 0.989 2088 R CA 0.699 56.852 56.100 0.088 0.000 1.016 2088 R CB 0.167 30.518 30.300 0.084 0.000 0.918 2088 R HN 0.389 nan 8.270 nan 0.000 0.473 2089 D N 1.432 121.872 120.400 0.066 0.000 2.305 2089 D HA 0.085 4.725 4.640 0.000 0.000 0.206 2089 D C 0.729 177.054 176.300 0.042 0.000 0.974 2089 D CA 0.297 54.329 54.000 0.053 0.000 0.871 2089 D CB 0.127 40.952 40.800 0.040 0.000 0.947 2089 D HN 0.246 nan 8.370 nan 0.000 0.516 2090 I N 1.681 122.275 120.570 0.040 0.000 2.741 2090 I HA -0.096 4.074 4.170 0.000 0.000 0.288 2090 I C 1.466 177.584 176.117 0.001 0.000 1.192 2090 I CA 0.332 61.643 61.300 0.018 0.000 1.426 2090 I CB 0.501 38.513 38.000 0.020 0.000 1.367 2090 I HN -0.122 nan 8.210 nan 0.000 0.563 2091 T N 3.782 118.313 114.554 -0.038 0.000 2.924 2091 T HA 0.272 4.622 4.350 0.000 0.000 0.301 2091 T C -0.135 174.404 174.700 -0.268 0.000 1.120 2091 T CA -0.586 61.460 62.100 -0.091 0.000 0.940 2091 T CB 1.032 69.870 68.868 -0.049 0.000 1.591 2091 T HN 0.693 nan 8.240 nan 0.000 0.578 2092 D N -1.239 118.938 120.400 -0.372 0.000 2.564 2092 D HA 0.172 4.812 4.640 0.000 0.000 0.273 2092 D C 0.530 176.765 176.300 -0.109 0.000 1.192 2092 D CA -0.505 53.226 54.000 -0.449 0.000 1.080 2092 D CB -0.417 40.018 40.800 -0.609 0.000 1.160 2092 D HN 0.945 nan 8.370 nan 0.000 0.607 2093 H N -2.118 116.832 119.070 -0.200 0.000 2.669 2093 H HA 0.372 4.928 4.556 0.000 0.000 0.297 2093 H C 0.233 175.514 175.328 -0.079 0.000 1.071 2093 H CA -0.295 55.686 56.048 -0.112 0.000 1.182 2093 H CB -0.339 29.370 29.762 -0.088 0.000 1.343 2093 H HN 0.114 nan 8.280 nan 0.000 0.582 2094 M N 0.580 120.162 119.600 -0.030 0.000 2.783 2094 M HA 0.112 4.592 4.480 0.000 0.000 0.443 2094 M C -0.622 175.656 176.300 -0.036 0.000 1.265 2094 M CA -0.182 55.063 55.300 -0.092 0.000 0.844 2094 M CB 0.913 33.457 32.600 -0.093 0.000 1.596 2094 M HN 0.185 nan 8.290 nan 0.000 0.546 2095 D N 0.572 120.955 120.400 -0.029 0.000 3.059 2095 D HA -0.157 4.483 4.640 0.000 0.000 0.220 2095 D C -0.012 176.295 176.300 0.011 0.000 1.169 2095 D CA 0.954 54.945 54.000 -0.015 0.000 0.902 2095 D CB -0.894 39.897 40.800 -0.015 0.000 1.116 2095 D HN 0.405 nan 8.370 nan 0.000 0.417 2096 R N 0.345 120.865 120.500 0.033 0.000 2.248 2096 R HA 0.387 4.727 4.340 0.000 0.000 0.328 2096 R C 0.647 177.034 176.300 0.145 0.000 1.067 2096 R CA -0.479 55.681 56.100 0.100 0.000 0.924 2096 R CB 0.581 30.984 30.300 0.171 0.000 1.013 2096 R HN 0.185 nan 8.270 nan 0.000 0.454 2097 L N 5.770 127.076 121.223 0.139 0.000 2.483 2097 L HA -0.017 4.323 4.340 0.000 0.000 0.277 2097 L C -0.877 176.195 176.870 0.338 0.000 1.248 2097 L CA -0.936 54.004 54.840 0.167 0.000 0.825 2097 L CB 0.369 42.493 42.059 0.109 0.000 1.096 2097 L HN 0.488 nan 8.230 nan 0.000 0.512 2098 P HA -0.210 nan 4.420 nan 0.000 0.215 2098 P C 1.326 178.688 177.300 0.104 0.000 1.157 2098 P CA 1.030 64.340 63.100 0.350 0.000 0.863 2098 P CB -0.108 31.775 31.700 0.305 0.000 0.787 2099 R N 0.284 120.844 120.500 0.101 0.000 2.257 2099 R HA -0.204 4.136 4.340 0.000 0.000 0.265 2099 R C 1.347 177.670 176.300 0.039 0.000 1.191 2099 R CA 1.868 58.004 56.100 0.060 0.000 1.010 2099 R CB -0.766 29.571 30.300 0.061 0.000 0.883 2099 R HN 0.250 nan 8.270 nan 0.000 0.473 2100 D N -0.630 119.807 120.400 0.062 0.000 2.290 2100 D HA -0.072 4.568 4.640 0.000 0.000 0.224 2100 D C 1.725 178.024 176.300 -0.001 0.000 0.967 2100 D CA 0.315 54.339 54.000 0.039 0.000 0.893 2100 D CB -0.378 40.466 40.800 0.074 0.000 1.037 2100 D HN 0.126 nan 8.370 nan 0.000 0.477 2101 I N 1.565 122.128 120.570 -0.011 0.000 2.800 2101 I HA -0.165 4.005 4.170 0.000 0.000 0.266 2101 I C 1.743 177.772 176.117 -0.147 0.000 1.249 2101 I CA 0.290 61.521 61.300 -0.115 0.000 1.458 2101 I CB -0.376 37.436 38.000 -0.313 0.000 1.093 2101 I HN -0.114 nan 8.210 nan 0.000 0.466 2102 A N -0.573 122.190 122.820 -0.095 0.000 1.833 2102 A HA -0.164 4.156 4.320 0.000 0.000 0.215 2102 A C 2.043 179.566 177.584 -0.102 0.000 1.275 2102 A CA 1.240 53.249 52.037 -0.047 0.000 0.602 2102 A CB -0.941 18.072 19.000 0.021 0.000 0.929 2102 A HN 0.389 nan 8.150 nan 0.000 0.462 2103 Q N -0.346 119.408 119.800 -0.077 0.000 2.204 2103 Q HA -0.358 3.982 4.340 0.000 0.000 0.220 2103 Q C 1.894 177.814 176.000 -0.133 0.000 1.064 2103 Q CA 2.713 58.444 55.803 -0.119 0.000 0.946 2103 Q CB -0.802 27.887 28.738 -0.080 0.000 1.083 2103 Q HN 0.886 nan 8.270 nan 0.000 0.443 2104 E N -0.543 119.592 120.200 -0.109 0.000 2.012 2104 E HA -0.179 4.171 4.350 0.000 0.000 0.197 2104 E C 1.743 178.256 176.600 -0.145 0.000 1.007 2104 E CA 0.954 57.294 56.400 -0.101 0.000 0.816 2104 E CB -0.017 29.641 29.700 -0.070 0.000 0.762 2104 E HN 0.135 nan 8.360 nan 0.000 0.451 2105 R N -0.396 119.959 120.500 -0.240 0.000 2.357 2105 R HA -0.020 4.320 4.340 0.000 0.000 0.202 2105 R C 0.507 176.524 176.300 -0.472 0.000 1.047 2105 R CA 0.594 56.465 56.100 -0.381 0.000 1.034 2105 R CB -0.106 29.863 30.300 -0.551 0.000 0.875 2105 R HN 0.474 nan 8.270 nan 0.000 0.473 2106 M N -1.048 118.390 119.600 -0.270 0.000 2.965 2106 M HA -0.196 4.284 4.480 0.000 0.000 0.213 2106 M C -0.911 175.538 176.300 0.249 0.000 0.564 2106 M CA 0.856 56.170 55.300 0.024 0.000 0.784 2106 M CB -2.625 30.030 32.600 0.092 0.000 2.816 2106 M HN 0.311 nan 8.290 nan 0.000 0.409 2107 H N 0.044 119.230 119.070 0.193 0.000 3.109 2107 H HA 0.234 4.790 4.556 0.000 0.000 0.266 2107 H C 1.292 176.774 175.328 0.256 0.000 1.334 2107 H CA -0.129 56.026 56.048 0.177 0.000 1.456 2107 H CB -0.001 29.806 29.762 0.074 0.000 1.587 2107 H HN 0.415 nan 8.280 nan 0.000 0.500 2108 H N 1.114 120.248 119.070 0.107 0.000 2.548 2108 H HA -0.075 4.481 4.556 0.000 0.000 0.268 2108 H C 0.805 176.181 175.328 0.080 0.000 0.975 2108 H CA -0.192 55.896 56.048 0.067 0.000 1.195 2108 H CB 0.709 30.493 29.762 0.036 0.000 1.397 2108 H HN 0.617 nan 8.280 nan 0.000 0.572 2109 D N 1.302 121.836 120.400 0.223 0.000 2.107 2109 D HA -0.083 4.557 4.640 0.000 0.000 0.204 2109 D C 2.260 178.725 176.300 0.276 0.000 0.978 2109 D CA 0.410 54.521 54.000 0.184 0.000 0.852 2109 D CB -0.158 40.659 40.800 0.029 0.000 1.008 2109 D HN 0.227 nan 8.370 nan 0.000 0.458 2110 I N 0.923 121.668 120.570 0.291 0.000 2.229 2110 I HA -0.302 3.868 4.170 0.000 0.000 0.250 2110 I C 2.311 178.494 176.117 0.110 0.000 1.096 2110 I CA 0.783 62.187 61.300 0.174 0.000 1.358 2110 I CB -0.044 38.034 38.000 0.130 0.000 1.047 2110 I HN -0.087 nan 8.210 nan 0.000 0.422 2111 V N 0.516 120.506 119.914 0.127 0.000 2.233 2111 V HA -0.331 3.789 4.120 0.000 0.000 0.247 2111 V C 2.607 178.752 176.094 0.084 0.000 1.050 2111 V CA 2.106 64.454 62.300 0.080 0.000 1.010 2111 V CB -0.810 31.043 31.823 0.049 0.000 0.637 2111 V HN 0.444 nan 8.190 nan 0.000 0.444 2112 R N -0.495 120.072 120.500 0.111 0.000 2.139 2112 R HA -0.200 4.140 4.340 0.000 0.000 0.243 2112 R C 2.217 178.579 176.300 0.103 0.000 1.145 2112 R CA 1.805 57.967 56.100 0.104 0.000 0.976 2112 R CB -0.340 30.029 30.300 0.116 0.000 0.866 2112 R HN 0.462 nan 8.270 nan 0.000 0.449 2113 L N 0.742 122.022 121.223 0.094 0.000 2.072 2113 L HA -0.064 4.276 4.340 0.000 0.000 0.205 2113 L C 2.080 178.989 176.870 0.064 0.000 1.079 2113 L CA 1.418 56.278 54.840 0.034 0.000 0.752 2113 L CB -0.226 41.736 42.059 -0.163 0.000 0.906 2113 L HN 0.145 nan 8.230 nan 0.000 0.436 2114 L N -0.718 120.533 121.223 0.046 0.000 2.141 2114 L HA -0.158 4.182 4.340 0.000 0.000 0.209 2114 L C 2.006 178.918 176.870 0.071 0.000 1.094 2114 L CA 0.881 55.756 54.840 0.059 0.000 0.763 2114 L CB -0.694 41.394 42.059 0.048 0.000 0.908 2114 L HN 0.266 nan 8.230 nan 0.000 0.437 2115 D N 0.045 120.487 120.400 0.069 0.000 2.183 2115 D HA -0.107 4.533 4.640 0.000 0.000 0.203 2115 D C 1.171 177.514 176.300 0.071 0.000 0.969 2115 D CA 1.153 55.191 54.000 0.062 0.000 0.842 2115 D CB 0.270 41.103 40.800 0.055 0.000 0.957 2115 D HN 0.400 nan 8.370 nan 0.000 0.484 2116 E N -1.370 118.888 120.200 0.097 0.000 2.945 2116 E HA 0.052 4.402 4.350 0.000 0.000 0.196 2116 E C -0.927 175.768 176.600 0.159 0.000 0.965 2116 E CA -0.249 56.214 56.400 0.105 0.000 1.270 2116 E CB 1.045 30.803 29.700 0.096 0.000 1.045 2116 E HN 0.078 nan 8.360 nan 0.000 0.474 2117 Y N 0.810 121.117 120.300 0.011 0.000 2.349 2117 Y HA 0.323 4.873 4.550 -0.000 0.000 0.324 2117 Y C 0.127 176.027 175.900 0.000 0.000 1.005 2117 Y CA -0.346 57.752 58.100 -0.002 0.000 1.240 2117 Y CB 0.214 38.656 38.460 -0.030 0.000 1.117 2117 Y HN -0.027 nan 8.280 nan 0.000 0.463 2118 N N 1.940 120.415 118.700 -0.374 0.000 2.722 2118 N HA -0.203 4.537 4.740 0.000 0.000 0.235 2118 N C -1.248 174.240 175.510 -0.036 0.000 0.608 2118 N CA 1.586 54.504 53.050 -0.220 0.000 1.802 2118 N CB -0.755 37.631 38.487 -0.168 0.000 1.754 2118 N HN 0.556 nan 8.380 nan 0.000 0.336 2119 L N 0.000 121.243 121.223 0.034 0.000 2.949 2119 L HA 0.000 4.340 4.340 0.000 0.000 0.249 2119 L CA 0.000 54.865 54.840 0.043 0.000 0.813 2119 L CB 0.000 42.075 42.059 0.026 0.000 0.961 2119 L HN 0.000 nan 8.230 nan 0.000 0.502