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 2izp_1_B DATA FIRST_RESID 2037 DATA SEQUENCE DDDLRAAGVD RRVPEQKLGA AIDEFASLRL PDRIDGRFVD GRRANLTVFD DATA SEQUENCE DARVAVRGHA RAQRNLLERL ETELLGGTLD TAGDEGGIQP DPILQGLVDV DATA SEQUENCE IGQGKSDIDA YATIVEGLTK YFQSVADVMS KLQDYISAKD DKNMKIDGGK DATA SEQUENCE IKALIQQVID HLPTMQLPKG ADIARWRKEL GDAVSISDSG VVTINPDKLI DATA SEQUENCE KMRDSLPPDG TVWDTARYQA WNTAFSGQKD NIQNDVQTLV EKYSHQNSNF DATA SEQUENCE DNLVKVLSGA ISTLTDTAK 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 2037 D HA 0.000 nan 4.640 nan 0.000 0.175 2037 D C 0.000 176.304 176.300 0.007 0.000 2.045 2037 D CA 0.000 54.002 54.000 0.004 0.000 0.868 2037 D CB 0.000 40.801 40.800 0.001 0.000 0.688 2038 D N -0.683 119.721 120.400 0.007 0.000 2.581 2038 D HA 0.449 5.089 4.640 0.001 0.000 0.232 2038 D C -0.793 175.511 176.300 0.006 0.000 1.143 2038 D CA -0.191 53.815 54.000 0.010 0.000 0.881 2038 D CB 2.674 43.482 40.800 0.013 0.000 1.500 2038 D HN 0.190 nan 8.370 nan 0.000 0.458 2039 D N 0.695 121.100 120.400 0.008 0.000 3.168 2039 D HA 0.372 5.013 4.640 0.001 0.000 0.219 2039 D C 0.739 177.043 176.300 0.006 0.000 1.310 2039 D CA -0.051 53.950 54.000 0.001 0.000 1.348 2039 D CB 0.321 41.116 40.800 -0.009 0.000 0.925 2039 D HN 0.306 nan 8.370 nan 0.000 0.185 2040 L N -0.156 121.073 121.223 0.010 0.000 2.817 2040 L HA 0.298 4.639 4.340 0.001 0.000 0.248 2040 L C 0.086 176.976 176.870 0.033 0.000 1.133 2040 L CA 0.006 54.855 54.840 0.017 0.000 0.935 2040 L CB 0.595 42.660 42.059 0.010 0.000 1.266 2040 L HN -0.109 nan 8.230 nan 0.000 0.535 2041 R N 1.414 121.941 120.500 0.046 0.000 4.559 2041 R HA 0.220 4.561 4.340 0.001 0.000 0.177 2041 R C 0.263 176.598 176.300 0.059 0.000 1.875 2041 R CA 0.194 56.338 56.100 0.073 0.000 1.509 2041 R CB -0.343 30.020 30.300 0.104 0.000 1.395 2041 R HN 0.094 nan 8.270 nan 0.000 0.830 2042 A N 0.502 123.349 122.820 0.045 0.000 3.415 2042 A HA 0.645 4.965 4.320 0.001 0.000 0.244 2042 A C 0.402 178.005 177.584 0.032 0.000 0.988 2042 A CA 0.026 52.084 52.037 0.036 0.000 0.991 2042 A CB 0.437 19.453 19.000 0.027 0.000 1.240 2042 A HN 0.365 nan 8.150 nan 0.000 0.541 2043 A N -1.469 121.373 122.820 0.037 0.000 2.393 2043 A HA 0.497 4.817 4.320 0.001 0.000 0.220 2043 A C 0.960 178.564 177.584 0.035 0.000 2.881 2043 A CA 0.823 52.879 52.037 0.031 0.000 1.592 2043 A CB -0.684 18.331 19.000 0.025 0.000 0.194 2043 A HN 1.936 nan 8.150 nan 0.000 0.569 2044 G N -1.090 107.737 108.800 0.045 0.000 4.234 2044 G HA2 0.407 4.368 3.960 0.001 0.000 0.206 2044 G HA3 0.407 4.368 3.960 0.001 0.000 0.206 2044 G C -0.341 174.598 174.900 0.066 0.000 1.204 2044 G CA 0.650 45.778 45.100 0.046 0.000 0.998 2044 G HN 0.793 nan 8.290 nan 0.000 0.417 2045 V N 2.465 122.429 119.914 0.083 0.000 2.350 2045 V HA 0.632 4.752 4.120 0.001 0.000 0.276 2045 V C -1.219 174.968 176.094 0.155 0.000 1.028 2045 V CA -0.381 61.995 62.300 0.126 0.000 0.860 2045 V CB 1.495 33.403 31.823 0.142 0.000 0.990 2045 V HN 0.330 nan 8.190 nan 0.000 0.453 2046 D N 3.703 124.218 120.400 0.191 0.000 2.323 2046 D HA 0.235 4.876 4.640 0.001 0.000 0.242 2046 D C 1.055 177.334 176.300 -0.035 0.000 1.347 2046 D CA -0.581 53.474 54.000 0.092 0.000 0.988 2046 D CB 1.408 42.236 40.800 0.047 0.000 1.314 2046 D HN 0.588 nan 8.370 nan 0.000 0.564 2047 R N 1.955 122.402 120.500 -0.088 0.000 2.241 2047 R HA -0.003 4.337 4.340 0.001 0.000 0.224 2047 R C 1.511 177.660 176.300 -0.252 0.000 1.101 2047 R CA 0.896 56.750 56.100 -0.410 0.000 0.995 2047 R CB -0.171 30.006 30.300 -0.206 0.000 0.870 2047 R HN 0.125 nan 8.270 nan 0.000 0.463 2048 R N 0.688 121.117 120.500 -0.118 0.000 2.152 2048 R HA -0.047 4.293 4.340 0.001 0.000 0.232 2048 R C 1.880 178.141 176.300 -0.065 0.000 1.117 2048 R CA 1.313 57.372 56.100 -0.068 0.000 0.981 2048 R CB -0.231 30.049 30.300 -0.032 0.000 0.870 2048 R HN 0.116 nan 8.270 nan 0.000 0.451 2049 V N 1.010 120.874 119.914 -0.085 0.000 2.283 2049 V HA -0.111 4.010 4.120 0.001 0.000 0.243 2049 V C -1.047 175.023 176.094 -0.040 0.000 1.039 2049 V CA 1.548 63.818 62.300 -0.050 0.000 1.016 2049 V CB -1.011 30.793 31.823 -0.032 0.000 0.650 2049 V HN 0.224 nan 8.190 nan 0.000 0.449 2050 P HA -0.096 nan 4.420 nan 0.000 0.217 2050 P C 1.505 178.854 177.300 0.081 0.000 1.151 2050 P CA 1.192 64.310 63.100 0.031 0.000 0.828 2050 P CB -0.017 31.744 31.700 0.103 0.000 0.788 2051 E N -0.473 119.759 120.200 0.053 0.000 2.204 2051 E HA -0.211 4.139 4.350 0.001 0.000 0.195 2051 E C 2.145 178.771 176.600 0.042 0.000 0.990 2051 E CA 0.699 57.140 56.400 0.070 0.000 0.821 2051 E CB -0.277 29.425 29.700 0.003 0.000 0.750 2051 E HN 0.276 nan 8.360 nan 0.000 0.477 2052 Q N 0.971 120.780 119.800 0.015 0.000 2.033 2052 Q HA -0.142 4.199 4.340 0.001 0.000 0.196 2052 Q C 1.910 177.914 176.000 0.007 0.000 0.970 2052 Q CA 1.026 56.833 55.803 0.007 0.000 0.828 2052 Q CB 0.201 28.936 28.738 -0.005 0.000 0.895 2052 Q HN 0.054 nan 8.270 nan 0.000 0.440 2053 K N 0.935 121.338 120.400 0.005 0.000 2.032 2053 K HA -0.130 4.191 4.320 0.001 0.000 0.209 2053 K C 2.352 178.956 176.600 0.006 0.000 1.048 2053 K CA 0.943 57.227 56.287 -0.005 0.000 0.927 2053 K CB -0.930 31.570 32.500 0.000 0.000 0.712 2053 K HN 0.262 nan 8.250 nan 0.000 0.441 2054 L N 0.485 121.731 121.223 0.038 0.000 2.079 2054 L HA -0.147 4.194 4.340 0.001 0.000 0.210 2054 L C 2.552 179.468 176.870 0.077 0.000 1.081 2054 L CA 1.537 56.416 54.840 0.065 0.000 0.752 2054 L CB -0.949 41.157 42.059 0.078 0.000 0.896 2054 L HN 0.340 nan 8.230 nan 0.000 0.433 2055 G N -0.726 108.109 108.800 0.058 0.000 2.422 2055 G HA2 -0.221 3.739 3.960 0.001 0.000 0.218 2055 G HA3 -0.221 3.739 3.960 0.001 0.000 0.218 2055 G C 1.765 176.687 174.900 0.036 0.000 1.146 2055 G CA 0.754 45.887 45.100 0.055 0.000 0.769 2055 G HN 0.472 nan 8.290 nan 0.000 0.547 2056 A N 1.320 124.139 122.820 -0.001 0.000 1.877 2056 A HA 0.248 4.569 4.320 0.001 0.000 0.216 2056 A C 2.840 180.367 177.584 -0.095 0.000 1.186 2056 A CA 2.284 54.294 52.037 -0.046 0.000 0.620 2056 A CB -0.890 18.066 19.000 -0.073 0.000 0.822 2056 A HN 0.814 nan 8.150 nan 0.000 0.443 2057 A N -0.104 122.650 122.820 -0.110 0.000 1.940 2057 A HA -0.135 4.185 4.320 0.001 0.000 0.219 2057 A C 2.124 179.752 177.584 0.073 0.000 1.176 2057 A CA 1.637 53.532 52.037 -0.237 0.000 0.631 2057 A CB -0.618 18.387 19.000 0.007 0.000 0.814 2057 A HN 0.522 nan 8.150 nan 0.000 0.446 2058 I N -0.550 120.162 120.570 0.237 0.000 2.315 2058 I HA -0.205 3.966 4.170 0.001 0.000 0.248 2058 I C 1.898 178.144 176.117 0.215 0.000 1.117 2058 I CA 1.353 62.872 61.300 0.366 0.000 1.404 2058 I CB -0.435 37.735 38.000 0.284 0.000 1.071 2058 I HN 0.291 nan 8.210 nan 0.000 0.419 2059 D N 0.593 121.052 120.400 0.100 0.000 2.144 2059 D HA -0.226 4.415 4.640 0.001 0.000 0.199 2059 D C 2.009 178.328 176.300 0.031 0.000 0.984 2059 D CA 1.307 55.340 54.000 0.056 0.000 0.834 2059 D CB 0.015 40.823 40.800 0.013 0.000 0.955 2059 D HN 0.265 nan 8.370 nan 0.000 0.465 2060 E N -0.386 119.801 120.200 -0.022 0.000 2.152 2060 E HA -0.107 4.244 4.350 0.001 0.000 0.192 2060 E C 1.776 178.410 176.600 0.057 0.000 0.983 2060 E CA 0.385 56.758 56.400 -0.045 0.000 0.818 2060 E CB -0.291 29.274 29.700 -0.225 0.000 0.758 2060 E HN 0.215 nan 8.360 nan 0.000 0.467 2061 F N 0.426 120.341 119.950 -0.058 0.000 2.074 2061 F HA -0.012 4.516 4.527 0.001 0.000 0.293 2061 F C 2.069 177.818 175.800 -0.087 0.000 1.116 2061 F CA 1.565 59.468 58.000 -0.162 0.000 1.212 2061 F CB -0.567 38.087 39.000 -0.576 0.000 0.998 2061 F HN 0.085 nan 8.300 nan 0.000 0.471 2062 A N -0.697 122.237 122.820 0.189 0.000 2.125 2062 A HA -0.165 4.156 4.320 0.001 0.000 0.219 2062 A C 2.162 179.747 177.584 0.002 0.000 1.156 2062 A CA 1.731 53.837 52.037 0.115 0.000 0.671 2062 A CB -1.209 17.888 19.000 0.161 0.000 0.794 2062 A HN 0.500 nan 8.150 nan 0.000 0.459 2063 S N -0.943 114.743 115.700 -0.023 0.000 2.524 2063 S HA 0.269 4.739 4.470 0.001 0.000 0.216 2063 S C 0.565 175.123 174.600 -0.070 0.000 0.987 2063 S CA -0.425 57.754 58.200 -0.035 0.000 0.909 2063 S CB -0.572 62.613 63.200 -0.024 0.000 0.781 2063 S HN 0.366 nan 8.310 nan 0.000 0.521 2064 L N 2.193 123.338 121.223 -0.130 0.000 2.483 2064 L HA 0.340 4.681 4.340 0.001 0.000 0.276 2064 L C 0.544 177.344 176.870 -0.117 0.000 1.213 2064 L CA 0.097 54.847 54.840 -0.150 0.000 0.843 2064 L CB 0.281 42.179 42.059 -0.268 0.000 1.107 2064 L HN 0.285 nan 8.230 nan 0.000 0.487 2065 R N 3.128 123.581 120.500 -0.079 0.000 2.698 2065 R HA 0.626 4.967 4.340 0.001 0.000 0.275 2065 R C -1.399 174.891 176.300 -0.017 0.000 1.001 2065 R CA -0.982 55.091 56.100 -0.045 0.000 0.896 2065 R CB 1.694 31.972 30.300 -0.037 0.000 1.218 2065 R HN 0.394 nan 8.270 nan 0.000 0.462 2066 L N 1.358 122.596 121.223 0.025 0.000 2.416 2066 L HA 0.563 4.904 4.340 0.001 0.000 0.262 2066 L C -2.092 174.823 176.870 0.074 0.000 1.093 2066 L CA -2.512 52.380 54.840 0.087 0.000 0.801 2066 L CB 0.419 42.581 42.059 0.172 0.000 1.191 2066 L HN 0.203 nan 8.230 nan 0.000 0.459 2067 P HA 0.016 nan 4.420 nan 0.000 0.266 2067 P C -1.028 176.187 177.300 -0.143 0.000 1.186 2067 P CA 0.392 63.394 63.100 -0.163 0.000 0.767 2067 P CB 0.678 32.289 31.700 -0.149 0.000 0.820 2068 D N 0.638 120.845 120.400 -0.321 0.000 3.603 2068 D HA 0.571 5.212 4.640 0.001 0.000 0.280 2068 D C -1.047 175.081 176.300 -0.287 0.000 1.435 2068 D CA -0.559 53.319 54.000 -0.204 0.000 1.005 2068 D CB 1.096 41.880 40.800 -0.026 0.000 1.321 2068 D HN 0.280 nan 8.370 nan 0.000 0.639 2069 R N 0.480 120.902 120.500 -0.130 0.000 3.008 2069 R HA 0.449 4.789 4.340 0.001 0.000 0.284 2069 R C -2.191 174.102 176.300 -0.013 0.000 1.187 2069 R CA -0.411 55.655 56.100 -0.057 0.000 1.139 2069 R CB -0.183 30.124 30.300 0.012 0.000 1.273 2069 R HN 0.270 nan 8.270 nan 0.000 0.410 2070 I N 3.461 124.021 120.570 -0.017 0.000 2.474 2070 I HA 0.369 4.540 4.170 0.001 0.000 0.294 2070 I C 0.358 176.481 176.117 0.010 0.000 1.005 2070 I CA -0.189 61.111 61.300 0.000 0.000 1.113 2070 I CB 1.911 39.906 38.000 -0.009 0.000 1.289 2070 I HN 0.819 nan 8.210 nan 0.000 0.436 2071 D N 4.495 124.904 120.400 0.016 0.000 2.945 2071 D HA -0.196 4.444 4.640 0.001 0.000 0.225 2071 D C 1.112 177.425 176.300 0.023 0.000 1.158 2071 D CA 1.296 55.307 54.000 0.017 0.000 0.805 2071 D CB -0.598 40.210 40.800 0.014 0.000 1.098 2071 D HN 1.210 nan 8.370 nan 0.000 0.426 2072 G N 0.494 109.311 108.800 0.028 0.000 2.179 2072 G HA2 -0.353 3.608 3.960 0.001 0.000 0.257 2072 G HA3 -0.353 3.608 3.960 0.001 0.000 0.257 2072 G C 0.228 175.155 174.900 0.046 0.000 1.010 2072 G CA 0.737 45.859 45.100 0.036 0.000 0.736 2072 G HN 0.463 nan 8.290 nan 0.000 0.513 2073 R N -0.682 119.844 120.500 0.045 0.000 2.494 2073 R HA 0.518 4.858 4.340 0.001 0.000 0.305 2073 R C -0.449 175.899 176.300 0.079 0.000 0.959 2073 R CA -1.049 55.090 56.100 0.065 0.000 0.864 2073 R CB 0.673 30.998 30.300 0.042 0.000 1.159 2073 R HN 0.118 nan 8.270 nan 0.000 0.446 2074 F N 4.676 124.609 119.950 -0.029 0.000 2.543 2074 F HA 0.113 4.640 4.527 0.001 0.000 0.375 2074 F C -0.583 175.197 175.800 -0.034 0.000 1.075 2074 F CA 0.265 58.239 58.000 -0.043 0.000 1.225 2074 F CB 0.627 39.598 39.000 -0.049 0.000 1.099 2074 F HN 0.093 nan 8.300 nan 0.000 0.561 2075 V N 6.531 126.054 119.914 -0.651 0.000 2.305 2075 V HA 0.119 4.239 4.120 0.001 0.000 0.275 2075 V C -0.293 175.455 176.094 -0.577 0.000 1.020 2075 V CA -0.995 61.042 62.300 -0.439 0.000 0.811 2075 V CB 0.831 32.519 31.823 -0.225 0.000 1.031 2075 V HN 0.694 nan 8.190 nan 0.000 0.439 2076 D N 2.941 123.066 120.400 -0.459 0.000 2.505 2076 D HA 0.257 4.898 4.640 0.001 0.000 0.229 2076 D C 0.650 176.844 176.300 -0.177 0.000 1.215 2076 D CA 1.660 55.509 54.000 -0.252 0.000 0.880 2076 D CB 0.645 41.414 40.800 -0.053 0.000 1.228 2076 D HN 0.713 nan 8.370 nan 0.000 0.497 2077 G N 0.539 109.278 108.800 -0.101 0.000 2.495 2077 G HA2 0.392 4.353 3.960 0.001 0.000 0.318 2077 G HA3 0.392 4.353 3.960 0.001 0.000 0.318 2077 G C -0.619 174.256 174.900 -0.042 0.000 1.257 2077 G CA -0.801 44.259 45.100 -0.067 0.000 0.962 2077 G HN 0.405 nan 8.290 nan 0.000 0.483 2078 R N 1.074 121.548 120.500 -0.043 0.000 2.504 2078 R HA 0.051 4.391 4.340 0.001 0.000 0.291 2078 R C 0.183 176.460 176.300 -0.039 0.000 0.974 2078 R CA 0.490 56.566 56.100 -0.039 0.000 1.077 2078 R CB 0.276 30.549 30.300 -0.044 0.000 0.926 2078 R HN 0.503 nan 8.270 nan 0.000 0.407 2079 R N 2.159 122.641 120.500 -0.030 0.000 2.643 2079 R HA 0.451 4.791 4.340 0.001 0.000 0.272 2079 R C -0.405 175.884 176.300 -0.019 0.000 0.995 2079 R CA -0.807 55.277 56.100 -0.026 0.000 1.032 2079 R CB 1.586 31.877 30.300 -0.015 0.000 1.126 2079 R HN 0.559 nan 8.270 nan 0.000 0.505 2080 A N 1.325 124.141 122.820 -0.007 0.000 2.286 2080 A HA 0.167 4.487 4.320 0.001 0.000 0.286 2080 A C -0.149 177.464 177.584 0.050 0.000 1.097 2080 A CA -0.519 51.539 52.037 0.034 0.000 0.821 2080 A CB 0.397 19.463 19.000 0.110 0.000 1.076 2080 A HN 0.657 nan 8.150 nan 0.000 0.490 2081 N N 1.322 120.050 118.700 0.047 0.000 2.521 2081 N HA 0.233 4.973 4.740 0.001 0.000 0.236 2081 N C 0.397 175.963 175.510 0.094 0.000 1.067 2081 N CA -0.160 52.910 53.050 0.033 0.000 0.939 2081 N CB 0.022 38.497 38.487 -0.020 0.000 1.201 2081 N HN 0.560 nan 8.380 nan 0.000 0.511 2082 L N 1.535 122.852 121.223 0.156 0.000 2.549 2082 L HA -0.077 4.263 4.340 0.001 0.000 0.229 2082 L C 2.005 179.023 176.870 0.246 0.000 1.158 2082 L CA 0.974 55.988 54.840 0.291 0.000 0.842 2082 L CB -0.502 41.651 42.059 0.157 0.000 0.952 2082 L HN 0.575 nan 8.230 nan 0.000 0.452 2083 T N -4.629 109.983 114.554 0.097 0.000 3.043 2083 T HA -0.030 4.320 4.350 0.001 0.000 0.263 2083 T C 1.761 176.454 174.700 -0.013 0.000 1.094 2083 T CA 0.469 62.600 62.100 0.052 0.000 1.127 2083 T CB -0.288 68.592 68.868 0.020 0.000 0.905 2083 T HN 0.079 nan 8.240 nan 0.000 0.490 2084 V N 0.756 120.586 119.914 -0.140 0.000 2.469 2084 V HA -0.105 4.015 4.120 0.001 0.000 0.251 2084 V C 2.218 178.101 176.094 -0.352 0.000 1.064 2084 V CA 1.722 63.830 62.300 -0.320 0.000 1.066 2084 V CB -1.048 30.436 31.823 -0.566 0.000 0.667 2084 V HN 0.487 nan 8.190 nan 0.000 0.461 2085 F N -0.090 119.875 119.950 0.026 0.000 2.179 2085 F HA -0.030 4.498 4.527 0.002 0.000 0.292 2085 F C 2.393 178.215 175.800 0.036 0.000 1.089 2085 F CA 1.379 59.406 58.000 0.046 0.000 1.295 2085 F CB -0.576 38.456 39.000 0.053 0.000 1.041 2085 F HN 0.117 nan 8.300 nan 0.000 0.487 2086 D N 0.622 121.148 120.400 0.209 0.000 2.221 2086 D HA -0.174 4.466 4.640 0.001 0.000 0.204 2086 D C 1.429 177.771 176.300 0.071 0.000 0.982 2086 D CA 1.304 55.376 54.000 0.120 0.000 0.857 2086 D CB -0.243 40.613 40.800 0.094 0.000 0.934 2086 D HN 0.188 nan 8.370 nan 0.000 0.475 2087 D N -0.157 120.269 120.400 0.044 0.000 2.149 2087 D HA -0.035 4.605 4.640 0.001 0.000 0.201 2087 D C 1.962 178.275 176.300 0.022 0.000 0.972 2087 D CA 1.117 55.128 54.000 0.018 0.000 0.835 2087 D CB -0.289 40.505 40.800 -0.011 0.000 0.966 2087 D HN 0.257 nan 8.370 nan 0.000 0.476 2088 A N 1.060 123.897 122.820 0.029 0.000 1.898 2088 A HA -0.180 4.141 4.320 0.001 0.000 0.216 2088 A C 2.177 179.779 177.584 0.029 0.000 1.181 2088 A CA 1.202 53.258 52.037 0.032 0.000 0.620 2088 A CB -0.411 18.622 19.000 0.055 0.000 0.819 2088 A HN 0.061 nan 8.150 nan 0.000 0.442 2089 R N -0.248 120.282 120.500 0.050 0.000 2.103 2089 R HA -0.150 4.191 4.340 0.001 0.000 0.234 2089 R C 2.075 178.390 176.300 0.025 0.000 1.132 2089 R CA 2.206 58.327 56.100 0.034 0.000 0.925 2089 R CB -0.729 29.605 30.300 0.057 0.000 0.842 2089 R HN 0.316 nan 8.270 nan 0.000 0.430 2090 V N 1.163 121.098 119.914 0.034 0.000 2.282 2090 V HA -0.319 3.801 4.120 0.001 0.000 0.249 2090 V C 2.561 178.678 176.094 0.038 0.000 1.057 2090 V CA 2.121 64.440 62.300 0.032 0.000 1.032 2090 V CB -0.946 30.896 31.823 0.030 0.000 0.645 2090 V HN 0.585 nan 8.190 nan 0.000 0.447 2091 A N -0.439 122.403 122.820 0.037 0.000 1.883 2091 A HA -0.182 4.139 4.320 0.001 0.000 0.217 2091 A C 2.409 180.042 177.584 0.082 0.000 1.186 2091 A CA 2.206 54.272 52.037 0.049 0.000 0.624 2091 A CB -0.787 18.233 19.000 0.033 0.000 0.822 2091 A HN 0.335 nan 8.150 nan 0.000 0.444 2092 V N 0.147 120.094 119.914 0.055 0.000 2.287 2092 V HA -0.291 3.830 4.120 0.001 0.000 0.248 2092 V C 2.699 178.855 176.094 0.103 0.000 1.053 2092 V CA 2.424 64.767 62.300 0.071 0.000 1.027 2092 V CB -0.799 30.963 31.823 -0.102 0.000 0.646 2092 V HN 0.679 nan 8.190 nan 0.000 0.447 2093 R N 0.124 120.657 120.500 0.054 0.000 2.081 2093 R HA -0.139 4.202 4.340 0.001 0.000 0.235 2093 R C 2.305 178.635 176.300 0.050 0.000 1.131 2093 R CA 1.835 57.961 56.100 0.044 0.000 0.960 2093 R CB -0.710 29.605 30.300 0.026 0.000 0.856 2093 R HN 0.546 nan 8.270 nan 0.000 0.436 2094 G N -0.857 107.980 108.800 0.062 0.000 2.421 2094 G HA2 -0.284 3.677 3.960 0.001 0.000 0.217 2094 G HA3 -0.284 3.677 3.960 0.001 0.000 0.217 2094 G C 1.208 176.155 174.900 0.078 0.000 1.143 2094 G CA 0.917 46.051 45.100 0.056 0.000 0.784 2094 G HN 0.442 nan 8.290 nan 0.000 0.541 2095 H N 1.202 120.275 119.070 0.005 0.000 2.357 2095 H HA 0.145 4.701 4.556 0.000 0.000 0.301 2095 H C 2.681 177.967 175.328 -0.071 0.000 1.082 2095 H CA 1.668 57.702 56.048 -0.023 0.000 1.342 2095 H CB -0.292 29.482 29.762 0.019 0.000 1.389 2095 H HN 0.254 nan 8.280 nan 0.000 0.511 2096 A N 1.054 123.845 122.820 -0.050 0.000 1.873 2096 A HA -0.271 4.049 4.320 0.001 0.000 0.218 2096 A C 2.464 179.960 177.584 -0.146 0.000 1.193 2096 A CA 1.982 53.948 52.037 -0.119 0.000 0.629 2096 A CB -0.852 18.144 19.000 -0.007 0.000 0.826 2096 A HN 0.510 nan 8.150 nan 0.000 0.447 2097 R N -0.670 119.784 120.500 -0.077 0.000 2.112 2097 R HA -0.204 4.136 4.340 0.001 0.000 0.242 2097 R C 2.366 178.618 176.300 -0.079 0.000 1.137 2097 R CA 1.820 57.887 56.100 -0.055 0.000 0.944 2097 R CB -0.474 29.813 30.300 -0.022 0.000 0.857 2097 R HN 0.493 nan 8.270 nan 0.000 0.435 2098 A N 0.359 123.116 122.820 -0.105 0.000 1.969 2098 A HA -0.192 4.128 4.320 0.001 0.000 0.218 2098 A C 2.037 179.530 177.584 -0.152 0.000 1.169 2098 A CA 1.292 53.270 52.037 -0.097 0.000 0.635 2098 A CB -0.352 18.606 19.000 -0.070 0.000 0.810 2098 A HN 0.498 nan 8.150 nan 0.000 0.445 2099 Q N -0.578 119.001 119.800 -0.368 0.000 1.993 2099 Q HA -0.162 4.179 4.340 0.001 0.000 0.202 2099 Q C 2.398 178.354 176.000 -0.072 0.000 0.984 2099 Q CA 1.606 57.074 55.803 -0.559 0.000 0.837 2099 Q CB -0.233 27.797 28.738 -1.181 0.000 0.902 2099 Q HN 0.599 nan 8.270 nan 0.000 0.423 2100 R N 0.608 121.058 120.500 -0.084 0.000 2.103 2100 R HA -0.142 4.198 4.340 0.001 0.000 0.242 2100 R C 1.982 178.308 176.300 0.044 0.000 1.142 2100 R CA 1.604 57.717 56.100 0.021 0.000 0.960 2100 R CB -0.435 29.863 30.300 -0.004 0.000 0.858 2100 R HN 0.419 nan 8.270 nan 0.000 0.439 2101 N N 0.516 119.226 118.700 0.017 0.000 2.069 2101 N HA -0.188 4.552 4.740 0.001 0.000 0.191 2101 N C 1.801 177.344 175.510 0.054 0.000 1.031 2101 N CA 0.884 53.950 53.050 0.027 0.000 0.852 2101 N CB -0.137 38.358 38.487 0.012 0.000 1.018 2101 N HN 0.043 nan 8.380 nan 0.000 0.423 2102 L N 1.899 123.175 121.223 0.089 0.000 2.017 2102 L HA -0.088 4.252 4.340 0.001 0.000 0.208 2102 L C 1.967 178.899 176.870 0.104 0.000 1.073 2102 L CA 1.368 56.279 54.840 0.117 0.000 0.745 2102 L CB -0.756 41.427 42.059 0.208 0.000 0.894 2102 L HN 0.199 nan 8.230 nan 0.000 0.432 2103 L N -0.561 120.756 121.223 0.157 0.000 2.079 2103 L HA -0.259 4.081 4.340 0.001 0.000 0.210 2103 L C 2.587 179.486 176.870 0.048 0.000 1.081 2103 L CA 1.697 56.591 54.840 0.090 0.000 0.752 2103 L CB -0.547 41.597 42.059 0.140 0.000 0.896 2103 L HN 0.490 nan 8.230 nan 0.000 0.433 2104 E N 0.253 120.483 120.200 0.050 0.000 2.038 2104 E HA -0.261 4.090 4.350 0.001 0.000 0.195 2104 E C 2.360 178.973 176.600 0.021 0.000 1.000 2104 E CA 1.296 57.715 56.400 0.032 0.000 0.803 2104 E CB 0.071 29.788 29.700 0.029 0.000 0.750 2104 E HN 0.331 nan 8.360 nan 0.000 0.448 2105 R N 0.058 120.571 120.500 0.023 0.000 2.083 2105 R HA -0.143 4.198 4.340 0.001 0.000 0.237 2105 R C 2.600 178.904 176.300 0.007 0.000 1.137 2105 R CA 1.420 57.529 56.100 0.014 0.000 0.951 2105 R CB -0.303 30.007 30.300 0.017 0.000 0.851 2105 R HN 0.264 nan 8.270 nan 0.000 0.434 2106 L N 0.266 121.491 121.223 0.003 0.000 1.989 2106 L HA -0.230 4.110 4.340 0.001 0.000 0.211 2106 L C 2.538 179.403 176.870 -0.008 0.000 1.071 2106 L CA 1.560 56.394 54.840 -0.010 0.000 0.749 2106 L CB -0.679 41.364 42.059 -0.028 0.000 0.890 2106 L HN 0.339 nan 8.230 nan 0.000 0.431 2107 E N -0.106 120.093 120.200 -0.001 0.000 2.108 2107 E HA -0.276 4.075 4.350 0.001 0.000 0.203 2107 E C 1.961 178.562 176.600 0.001 0.000 1.022 2107 E CA 2.392 58.793 56.400 0.001 0.000 0.823 2107 E CB 0.032 29.738 29.700 0.009 0.000 0.744 2107 E HN 0.493 nan 8.360 nan 0.000 0.456 2108 T N 0.451 115.007 114.554 0.003 0.000 2.746 2108 T HA -0.141 4.209 4.350 0.001 0.000 0.267 2108 T C 1.578 176.278 174.700 0.000 0.000 1.039 2108 T CA 1.398 63.500 62.100 0.003 0.000 1.142 2108 T CB -0.237 68.634 68.868 0.005 0.000 0.866 2108 T HN 0.282 nan 8.240 nan 0.000 0.444 2109 E N 0.660 120.859 120.200 -0.002 0.000 2.051 2109 E HA -0.087 4.264 4.350 0.001 0.000 0.192 2109 E C 2.117 178.713 176.600 -0.005 0.000 0.991 2109 E CA 0.772 57.169 56.400 -0.004 0.000 0.799 2109 E CB -0.284 29.412 29.700 -0.006 0.000 0.748 2109 E HN 0.186 nan 8.360 nan 0.000 0.449 2110 L N 0.652 121.871 121.223 -0.007 0.000 2.187 2110 L HA -0.169 4.172 4.340 0.001 0.000 0.213 2110 L C 1.777 178.644 176.870 -0.005 0.000 1.100 2110 L CA 1.424 56.259 54.840 -0.008 0.000 0.765 2110 L CB -0.043 42.010 42.059 -0.011 0.000 0.904 2110 L HN 0.080 nan 8.230 nan 0.000 0.437 2111 L N -1.140 120.082 121.223 -0.003 0.000 2.354 2111 L HA 0.314 4.654 4.340 0.001 0.000 0.212 2111 L C 1.646 178.515 176.870 -0.001 0.000 1.091 2111 L CA 0.686 55.525 54.840 -0.001 0.000 0.828 2111 L CB -1.561 40.499 42.059 0.000 0.000 0.973 2111 L HN 0.196 nan 8.230 nan 0.000 0.461 2112 G N -0.861 107.938 108.800 -0.001 0.000 2.690 2112 G HA2 0.417 4.378 3.960 0.001 0.000 0.239 2112 G HA3 0.417 4.378 3.960 0.001 0.000 0.239 2112 G C 0.079 174.978 174.900 -0.001 0.000 1.233 2112 G CA 0.514 45.614 45.100 -0.001 0.000 0.847 2112 G HN 0.505 nan 8.290 nan 0.000 0.588 2113 G N -1.793 107.007 108.800 -0.001 0.000 2.350 2113 G HA2 0.483 4.444 3.960 0.001 0.000 0.305 2113 G HA3 0.483 4.444 3.960 0.001 0.000 0.305 2113 G C -0.402 174.498 174.900 -0.001 0.000 1.479 2113 G CA 0.114 45.213 45.100 -0.001 0.000 0.949 2113 G HN 1.066 nan 8.290 nan 0.000 0.651 2114 T N 0.022 114.575 114.554 -0.001 0.000 2.898 2114 T HA 0.485 4.836 4.350 0.001 0.000 0.301 2114 T C 0.850 175.549 174.700 -0.000 0.000 1.049 2114 T CA -0.318 61.781 62.100 -0.001 0.000 1.095 2114 T CB 0.128 68.996 68.868 -0.001 0.000 0.976 2114 T HN 0.548 nan 8.240 nan 0.000 0.539 2115 L N 3.756 124.978 121.223 -0.000 0.000 2.380 2115 L HA 0.387 4.728 4.340 0.001 0.000 0.273 2115 L C 0.281 177.151 176.870 -0.000 0.000 1.138 2115 L CA -0.174 54.666 54.840 -0.000 0.000 0.832 2115 L CB 0.837 42.896 42.059 0.000 0.000 1.124 2115 L HN 0.736 nan 8.230 nan 0.000 0.454 2116 D N 0.595 120.994 120.400 -0.000 0.000 2.645 2116 D HA 0.172 4.813 4.640 0.001 0.000 0.228 2116 D C 0.314 176.614 176.300 -0.000 0.000 1.148 2116 D CA -0.416 53.584 54.000 -0.000 0.000 0.860 2116 D CB 2.479 43.279 40.800 -0.001 0.000 1.548 2116 D HN 0.410 nan 8.370 nan 0.000 0.460 2117 T N 0.426 114.980 114.554 -0.000 0.000 2.978 2117 T HA 0.166 4.517 4.350 0.001 0.000 0.262 2117 T C 0.998 175.698 174.700 -0.000 0.000 1.063 2117 T CA 1.052 63.151 62.100 -0.000 0.000 1.140 2117 T CB -0.048 68.820 68.868 -0.000 0.000 0.886 2117 T HN 0.391 nan 8.240 nan 0.000 0.470 2118 A N 0.593 123.412 122.820 -0.001 0.000 2.988 2118 A HA 0.661 4.982 4.320 0.001 0.000 0.288 2118 A C 0.691 178.275 177.584 -0.001 0.000 1.385 2118 A CA 0.042 52.078 52.037 -0.001 0.000 1.001 2118 A CB -0.739 18.260 19.000 -0.001 0.000 1.071 2118 A HN 0.596 nan 8.150 nan 0.000 0.608 2119 G N -0.392 108.408 108.800 -0.001 0.000 2.433 2119 G HA2 0.402 4.362 3.960 0.001 0.000 0.306 2119 G HA3 0.402 4.362 3.960 0.001 0.000 0.306 2119 G C -1.883 173.017 174.900 -0.000 0.000 1.627 2119 G CA -0.817 44.283 45.100 -0.001 0.000 0.893 2119 G HN 0.105 nan 8.290 nan 0.000 0.648 2120 D N 1.284 121.684 120.400 -0.000 0.000 2.308 2120 D HA 0.481 5.121 4.640 0.001 0.000 0.251 2120 D C 0.789 177.090 176.300 0.000 0.000 1.127 2120 D CA 0.829 54.829 54.000 0.000 0.000 0.876 2120 D CB 0.854 41.654 40.800 0.000 0.000 1.176 2120 D HN 0.641 nan 8.370 nan 0.000 0.446 2121 E N 0.201 120.401 120.200 0.000 0.000 5.952 2121 E HA -0.214 4.137 4.350 0.001 0.000 0.178 2121 E C 0.523 177.123 176.600 0.000 0.000 1.486 2121 E CA 0.729 57.129 56.400 0.001 0.000 2.534 2121 E CB -0.261 29.440 29.700 0.001 0.000 1.952 2121 E HN 0.554 nan 8.360 nan 0.000 0.448 2122 G N -0.864 107.936 108.800 0.000 0.000 2.518 2122 G HA2 0.203 4.164 3.960 0.001 0.000 0.284 2122 G HA3 0.203 4.164 3.960 0.001 0.000 0.284 2122 G C 1.112 176.011 174.900 -0.001 0.000 1.362 2122 G CA 0.517 45.617 45.100 -0.000 0.000 1.065 2122 G HN 0.792 nan 8.290 nan 0.000 0.561 2123 G N -0.252 108.547 108.800 -0.001 0.000 2.785 2123 G HA2 -0.372 3.589 3.960 0.001 0.000 0.225 2123 G HA3 -0.372 3.589 3.960 0.001 0.000 0.225 2123 G C 1.734 176.633 174.900 -0.002 0.000 1.093 2123 G CA 1.616 46.714 45.100 -0.002 0.000 0.740 2123 G HN 0.644 nan 8.290 nan 0.000 0.629 2124 I N 0.843 121.412 120.570 -0.001 0.000 2.091 2124 I HA -0.284 3.886 4.170 0.001 0.000 0.240 2124 I C 1.596 177.713 176.117 -0.001 0.000 1.046 2124 I CA 2.147 63.447 61.300 -0.001 0.000 1.306 2124 I CB -0.525 37.474 38.000 -0.000 0.000 1.018 2124 I HN 0.599 nan 8.210 nan 0.000 0.404 2125 Q N 0.274 120.073 119.800 -0.001 0.000 2.431 2125 Q HA -0.190 4.150 4.340 0.001 0.000 0.344 2125 Q C -1.615 174.385 176.000 -0.000 0.000 1.384 2125 Q CA 0.381 56.184 55.803 -0.001 0.000 0.984 2125 Q CB -2.256 26.481 28.738 -0.001 0.000 1.204 2125 Q HN 0.447 nan 8.270 nan 0.000 0.392 2126 P HA -0.232 nan 4.420 nan 0.000 0.026 2126 P C -0.572 176.728 177.300 -0.000 0.000 0.537 2126 P CA 1.232 64.332 63.100 0.000 0.000 1.025 2126 P CB -0.311 31.389 31.700 0.001 0.000 1.852 2127 D N 1.350 121.750 120.400 -0.001 0.000 2.210 2127 D HA 0.131 4.772 4.640 0.001 0.000 0.249 2127 D C -1.293 175.007 176.300 -0.001 0.000 1.078 2127 D CA -1.658 52.342 54.000 -0.001 0.000 0.875 2127 D CB 1.168 41.967 40.800 -0.002 0.000 1.175 2127 D HN 0.054 nan 8.370 nan 0.000 0.440 2128 P HA -0.088 nan 4.420 nan 0.000 0.215 2128 P C 1.708 179.007 177.300 -0.002 0.000 1.157 2128 P CA 0.475 63.574 63.100 -0.001 0.000 0.868 2128 P CB 0.419 32.118 31.700 -0.001 0.000 0.788 2129 I N -1.351 119.217 120.570 -0.003 0.000 2.264 2129 I HA -0.199 3.972 4.170 0.001 0.000 0.248 2129 I C 2.209 178.323 176.117 -0.005 0.000 1.111 2129 I CA 1.360 62.657 61.300 -0.005 0.000 1.382 2129 I CB -1.285 36.711 38.000 -0.005 0.000 1.060 2129 I HN -0.005 nan 8.210 nan 0.000 0.418 2130 L N 0.635 121.855 121.223 -0.004 0.000 2.027 2130 L HA -0.199 4.142 4.340 0.001 0.000 0.206 2130 L C 2.619 179.487 176.870 -0.004 0.000 1.074 2130 L CA 1.730 56.567 54.840 -0.005 0.000 0.745 2130 L CB -0.854 41.202 42.059 -0.004 0.000 0.898 2130 L HN 0.224 nan 8.230 nan 0.000 0.433 2131 Q N -0.556 119.243 119.800 -0.002 0.000 2.156 2131 Q HA -0.264 4.076 4.340 0.001 0.000 0.211 2131 Q C 1.935 177.934 176.000 -0.000 0.000 0.995 2131 Q CA 2.081 57.884 55.803 0.000 0.000 0.877 2131 Q CB -0.523 28.215 28.738 0.001 0.000 0.920 2131 Q HN 0.699 nan 8.270 nan 0.000 0.416 2132 G N 0.416 109.215 108.800 -0.002 0.000 2.422 2132 G HA2 -0.203 3.757 3.960 0.001 0.000 0.218 2132 G HA3 -0.203 3.757 3.960 0.001 0.000 0.218 2132 G C 1.449 176.346 174.900 -0.005 0.000 1.146 2132 G CA 0.567 45.665 45.100 -0.003 0.000 0.769 2132 G HN 0.291 nan 8.290 nan 0.000 0.547 2133 L N 0.120 121.338 121.223 -0.007 0.000 2.044 2133 L HA -0.050 4.290 4.340 0.001 0.000 0.205 2133 L C 3.003 179.868 176.870 -0.009 0.000 1.075 2133 L CA 0.399 55.232 54.840 -0.012 0.000 0.747 2133 L CB -0.485 41.565 42.059 -0.014 0.000 0.903 2133 L HN 0.071 nan 8.230 nan 0.000 0.435 2134 V N 0.022 119.933 119.914 -0.004 0.000 2.332 2134 V HA -0.326 3.795 4.120 0.001 0.000 0.248 2134 V C 2.104 178.202 176.094 0.006 0.000 1.055 2134 V CA 1.970 64.270 62.300 0.001 0.000 1.038 2134 V CB -0.612 31.213 31.823 0.003 0.000 0.651 2134 V HN 0.467 nan 8.190 nan 0.000 0.450 2135 D N 0.080 120.483 120.400 0.006 0.000 2.144 2135 D HA -0.131 4.509 4.640 0.001 0.000 0.199 2135 D C 2.175 178.483 176.300 0.012 0.000 0.984 2135 D CA 1.386 55.393 54.000 0.012 0.000 0.834 2135 D CB -0.425 40.381 40.800 0.010 0.000 0.955 2135 D HN 0.380 nan 8.370 nan 0.000 0.465 2136 V N 1.409 121.325 119.914 0.003 0.000 2.252 2136 V HA -0.272 3.849 4.120 0.001 0.000 0.249 2136 V C 2.594 178.690 176.094 0.004 0.000 1.056 2136 V CA 1.382 63.681 62.300 -0.002 0.000 1.022 2136 V CB -0.588 31.224 31.823 -0.017 0.000 0.641 2136 V HN 0.149 nan 8.190 nan 0.000 0.445 2137 I N 0.914 121.484 120.570 0.000 0.000 2.194 2137 I HA -0.230 3.940 4.170 0.001 0.000 0.246 2137 I C 2.579 178.719 176.117 0.038 0.000 1.093 2137 I CA 1.839 63.145 61.300 0.011 0.000 1.355 2137 I CB -0.882 37.122 38.000 0.007 0.000 1.046 2137 I HN 0.415 nan 8.210 nan 0.000 0.413 2138 G N -0.473 108.348 108.800 0.035 0.000 2.459 2138 G HA2 -0.276 3.685 3.960 0.001 0.000 0.217 2138 G HA3 -0.276 3.685 3.960 0.001 0.000 0.217 2138 G C 1.565 176.503 174.900 0.064 0.000 1.183 2138 G CA 0.375 45.503 45.100 0.046 0.000 0.776 2138 G HN 0.264 nan 8.290 nan 0.000 0.552 2139 Q N 0.635 120.469 119.800 0.058 0.000 2.181 2139 Q HA -0.090 4.250 4.340 0.001 0.000 0.205 2139 Q C 2.711 178.773 176.000 0.104 0.000 0.980 2139 Q CA 1.501 57.351 55.803 0.077 0.000 0.862 2139 Q CB -0.794 27.974 28.738 0.050 0.000 0.905 2139 Q HN 0.448 nan 8.270 nan 0.000 0.429 2140 G N 1.101 109.954 108.800 0.088 0.000 2.484 2140 G HA2 -0.266 3.695 3.960 0.001 0.000 0.215 2140 G HA3 -0.266 3.695 3.960 0.001 0.000 0.215 2140 G C 1.454 176.452 174.900 0.162 0.000 1.219 2140 G CA 0.893 46.067 45.100 0.123 0.000 0.791 2140 G HN 0.313 nan 8.290 nan 0.000 0.550 2141 K N 0.392 120.872 120.400 0.133 0.000 2.034 2141 K HA -0.184 4.136 4.320 0.001 0.000 0.214 2141 K C 2.826 179.494 176.600 0.114 0.000 1.051 2141 K CA 1.728 58.083 56.287 0.114 0.000 0.931 2141 K CB -0.439 32.110 32.500 0.081 0.000 0.715 2141 K HN 0.344 nan 8.250 nan 0.000 0.446 2142 S N 1.038 116.811 115.700 0.121 0.000 2.400 2142 S HA -0.186 4.285 4.470 0.001 0.000 0.232 2142 S C 1.510 176.232 174.600 0.204 0.000 1.025 2142 S CA 1.744 60.024 58.200 0.133 0.000 0.993 2142 S CB -0.205 63.080 63.200 0.142 0.000 0.808 2142 S HN 0.178 nan 8.310 nan 0.000 0.478 2143 D N 0.787 121.346 120.400 0.265 0.000 2.162 2143 D HA 0.103 4.743 4.640 0.001 0.000 0.203 2143 D C 1.812 178.324 176.300 0.353 0.000 0.967 2143 D CA 0.691 54.934 54.000 0.406 0.000 0.840 2143 D CB -0.319 40.681 40.800 0.333 0.000 0.972 2143 D HN 0.448 nan 8.370 nan 0.000 0.482 2144 I N 1.278 121.974 120.570 0.209 0.000 2.127 2144 I HA -0.270 3.901 4.170 0.001 0.000 0.241 2144 I C 1.723 177.921 176.117 0.135 0.000 1.075 2144 I CA 1.330 62.704 61.300 0.123 0.000 1.334 2144 I CB -0.076 37.932 38.000 0.012 0.000 1.040 2144 I HN -0.040 nan 8.210 nan 0.000 0.405 2145 D N 0.657 121.111 120.400 0.091 0.000 2.219 2145 D HA -0.102 4.539 4.640 0.001 0.000 0.205 2145 D C 2.124 178.418 176.300 -0.010 0.000 0.970 2145 D CA 1.348 55.369 54.000 0.035 0.000 0.851 2145 D CB -0.073 40.736 40.800 0.014 0.000 0.943 2145 D HN 0.413 nan 8.370 nan 0.000 0.488 2146 A N 0.661 123.467 122.820 -0.023 0.000 1.832 2146 A HA -0.157 4.164 4.320 0.001 0.000 0.214 2146 A C 2.043 179.528 177.584 -0.166 0.000 1.204 2146 A CA 0.829 52.703 52.037 -0.272 0.000 0.606 2146 A CB -1.234 17.340 19.000 -0.711 0.000 0.849 2146 A HN 0.122 nan 8.150 nan 0.000 0.445 2147 Y N 0.299 120.598 120.300 -0.002 0.000 2.139 2147 Y HA -0.253 4.298 4.550 0.002 0.000 0.282 2147 Y C 2.942 178.865 175.900 0.039 0.000 1.179 2147 Y CA 1.448 59.615 58.100 0.112 0.000 1.161 2147 Y CB -0.468 38.192 38.460 0.333 0.000 0.970 2147 Y HN 0.353 nan 8.280 nan 0.000 0.511 2148 A N -0.440 122.501 122.820 0.201 0.000 1.908 2148 A HA -0.262 4.058 4.320 0.001 0.000 0.218 2148 A C 2.340 179.920 177.584 -0.006 0.000 1.181 2148 A CA 2.571 54.660 52.037 0.088 0.000 0.627 2148 A CB -1.294 17.751 19.000 0.074 0.000 0.818 2148 A HN 0.539 nan 8.150 nan 0.000 0.445 2149 T N -2.650 111.880 114.554 -0.041 0.000 2.978 2149 T HA 0.120 4.470 4.350 0.001 0.000 0.262 2149 T C 1.808 176.444 174.700 -0.107 0.000 1.063 2149 T CA 1.080 63.133 62.100 -0.078 0.000 1.140 2149 T CB -0.394 68.413 68.868 -0.101 0.000 0.886 2149 T HN 0.305 nan 8.240 nan 0.000 0.470 2150 I N 1.064 121.546 120.570 -0.146 0.000 2.439 2150 I HA -0.045 4.126 4.170 0.001 0.000 0.251 2150 I C 2.398 178.447 176.117 -0.114 0.000 1.139 2150 I CA 0.702 61.904 61.300 -0.163 0.000 1.438 2150 I CB -0.043 37.808 38.000 -0.248 0.000 1.085 2150 I HN 0.139 nan 8.210 nan 0.000 0.427 2151 V N 0.283 120.134 119.914 -0.104 0.000 2.951 2151 V HA -0.144 3.977 4.120 0.001 0.000 0.255 2151 V C 2.106 178.137 176.094 -0.104 0.000 1.088 2151 V CA 1.332 63.550 62.300 -0.136 0.000 1.109 2151 V CB -0.450 31.190 31.823 -0.306 0.000 0.724 2151 V HN 0.392 nan 8.190 nan 0.000 0.471 2152 E N 0.603 120.757 120.200 -0.076 0.000 2.112 2152 E HA -0.053 4.298 4.350 0.001 0.000 0.190 2152 E C 2.338 178.932 176.600 -0.010 0.000 0.979 2152 E CA 1.024 57.404 56.400 -0.035 0.000 0.814 2152 E CB -0.357 29.328 29.700 -0.026 0.000 0.762 2152 E HN 0.604 nan 8.360 nan 0.000 0.460 2153 G N 1.149 109.932 108.800 -0.028 0.000 2.408 2153 G HA2 -0.198 3.763 3.960 0.001 0.000 0.217 2153 G HA3 -0.198 3.763 3.960 0.001 0.000 0.217 2153 G C 1.541 176.452 174.900 0.018 0.000 1.150 2153 G CA 0.134 45.226 45.100 -0.013 0.000 0.776 2153 G HN 0.090 nan 8.290 nan 0.000 0.542 2154 L N 1.161 122.379 121.223 -0.009 0.000 2.017 2154 L HA -0.127 4.213 4.340 0.001 0.000 0.208 2154 L C 3.414 180.321 176.870 0.062 0.000 1.073 2154 L CA 2.141 56.991 54.840 0.017 0.000 0.745 2154 L CB -0.724 41.300 42.059 -0.060 0.000 0.894 2154 L HN 0.474 nan 8.230 nan 0.000 0.432 2155 T N -3.028 111.552 114.554 0.044 0.000 2.746 2155 T HA -0.275 4.075 4.350 0.001 0.000 0.267 2155 T C 1.835 176.611 174.700 0.126 0.000 1.039 2155 T CA 1.293 63.470 62.100 0.128 0.000 1.142 2155 T CB -0.274 68.679 68.868 0.142 0.000 0.866 2155 T HN 0.122 nan 8.240 nan 0.000 0.444 2156 K N 0.026 120.483 120.400 0.095 0.000 2.089 2156 K HA -0.209 4.111 4.320 0.001 0.000 0.210 2156 K C 2.160 178.816 176.600 0.093 0.000 1.048 2156 K CA 1.740 58.075 56.287 0.079 0.000 0.926 2156 K CB -0.506 32.035 32.500 0.069 0.000 0.714 2156 K HN 0.478 nan 8.250 nan 0.000 0.448 2157 Y N -0.018 120.278 120.300 -0.007 0.000 2.145 2157 Y HA -0.221 4.329 4.550 0.001 0.000 0.286 2157 Y C 1.860 177.782 175.900 0.036 0.000 1.145 2157 Y CA 1.326 59.425 58.100 -0.002 0.000 1.148 2157 Y CB -0.600 37.842 38.460 -0.031 0.000 0.981 2157 Y HN 0.058 nan 8.280 nan 0.000 0.507 2158 F N 1.426 121.144 119.950 -0.386 0.000 2.095 2158 F HA -0.250 4.277 4.527 0.000 0.000 0.298 2158 F C 2.707 178.107 175.800 -0.666 0.000 1.104 2158 F CA 2.103 59.746 58.000 -0.595 0.000 1.232 2158 F CB -1.173 37.585 39.000 -0.403 0.000 0.987 2158 F HN 0.284 nan 8.300 nan 0.000 0.475 2159 Q N -0.650 118.830 119.800 -0.533 0.000 2.020 2159 Q HA -0.183 4.158 4.340 0.001 0.000 0.202 2159 Q C 2.382 178.164 176.000 -0.364 0.000 0.982 2159 Q CA 2.213 57.576 55.803 -0.734 0.000 0.838 2159 Q CB -0.271 28.289 28.738 -0.297 0.000 0.899 2159 Q HN 0.261 nan 8.270 nan 0.000 0.423 2160 S N -0.512 115.084 115.700 -0.174 0.000 2.399 2160 S HA -0.111 4.359 4.470 0.001 0.000 0.231 2160 S C 1.811 176.363 174.600 -0.081 0.000 1.022 2160 S CA 1.222 59.376 58.200 -0.077 0.000 0.983 2160 S CB -0.034 63.177 63.200 0.019 0.000 0.803 2160 S HN 0.286 nan 8.310 nan 0.000 0.480 2161 V N 1.401 121.235 119.914 -0.132 0.000 2.591 2161 V HA -0.023 4.098 4.120 0.001 0.000 0.249 2161 V C 2.529 178.578 176.094 -0.075 0.000 1.053 2161 V CA 1.244 63.503 62.300 -0.067 0.000 1.068 2161 V CB -1.083 30.687 31.823 -0.088 0.000 0.689 2161 V HN 0.495 nan 8.190 nan 0.000 0.462 2162 A N 0.553 123.278 122.820 -0.159 0.000 1.908 2162 A HA -0.327 3.993 4.320 0.001 0.000 0.218 2162 A C 2.051 179.541 177.584 -0.156 0.000 1.181 2162 A CA 2.352 54.239 52.037 -0.250 0.000 0.627 2162 A CB -0.703 18.007 19.000 -0.484 0.000 0.818 2162 A HN 0.576 nan 8.150 nan 0.000 0.445 2163 D N -0.530 119.793 120.400 -0.129 0.000 2.087 2163 D HA -0.146 4.494 4.640 0.001 0.000 0.192 2163 D C 1.905 178.189 176.300 -0.026 0.000 0.993 2163 D CA 1.760 55.724 54.000 -0.060 0.000 0.828 2163 D CB -0.540 40.230 40.800 -0.049 0.000 0.968 2163 D HN 0.128 nan 8.370 nan 0.000 0.448 2164 V N 0.002 119.910 119.914 -0.010 0.000 2.392 2164 V HA -0.214 3.907 4.120 0.001 0.000 0.249 2164 V C 2.478 178.605 176.094 0.055 0.000 1.059 2164 V CA 2.060 64.383 62.300 0.040 0.000 1.051 2164 V CB -0.438 31.425 31.823 0.068 0.000 0.658 2164 V HN 0.269 nan 8.190 nan 0.000 0.455 2165 M N -0.686 118.922 119.600 0.014 0.000 2.446 2165 M HA -0.106 4.375 4.480 0.001 0.000 0.263 2165 M C 1.970 178.276 176.300 0.009 0.000 1.066 2165 M CA 1.845 57.156 55.300 0.018 0.000 1.087 2165 M CB -0.114 32.418 32.600 -0.114 0.000 1.406 2165 M HN 0.384 nan 8.290 nan 0.000 0.459 2166 S N -0.804 114.893 115.700 -0.005 0.000 2.460 2166 S HA 0.068 4.539 4.470 0.001 0.000 0.226 2166 S C 1.677 176.283 174.600 0.010 0.000 1.057 2166 S CA 0.375 58.572 58.200 -0.005 0.000 0.948 2166 S CB 0.063 63.254 63.200 -0.016 0.000 0.822 2166 S HN 0.415 nan 8.310 nan 0.000 0.512 2167 K N 1.482 121.894 120.400 0.021 0.000 2.148 2167 K HA 0.048 4.368 4.320 0.001 0.000 0.204 2167 K C 1.790 178.422 176.600 0.053 0.000 1.050 2167 K CA 0.831 57.132 56.287 0.023 0.000 0.942 2167 K CB -0.426 32.100 32.500 0.044 0.000 0.724 2167 K HN 0.322 nan 8.250 nan 0.000 0.446 2168 L N 1.313 122.602 121.223 0.110 0.000 2.127 2168 L HA -0.214 4.126 4.340 0.001 0.000 0.211 2168 L C 2.333 179.277 176.870 0.123 0.000 1.089 2168 L CA 1.165 56.110 54.840 0.176 0.000 0.757 2168 L CB -0.774 41.392 42.059 0.178 0.000 0.899 2168 L HN 0.180 nan 8.230 nan 0.000 0.434 2169 Q N 0.092 119.933 119.800 0.069 0.000 2.234 2169 Q HA -0.224 4.117 4.340 0.001 0.000 0.206 2169 Q C 1.318 177.315 176.000 -0.005 0.000 0.980 2169 Q CA 1.351 57.186 55.803 0.054 0.000 0.869 2169 Q CB -0.407 28.352 28.738 0.035 0.000 0.912 2169 Q HN 0.555 nan 8.270 nan 0.000 0.436 2170 D N -0.365 119.965 120.400 -0.118 0.000 2.310 2170 D HA -0.098 4.543 4.640 0.001 0.000 0.212 2170 D C 0.736 176.814 176.300 -0.370 0.000 0.965 2170 D CA 1.017 54.843 54.000 -0.291 0.000 0.879 2170 D CB 0.023 40.538 40.800 -0.474 0.000 0.921 2170 D HN 0.436 nan 8.370 nan 0.000 0.510 2171 Y N -0.663 119.638 120.300 0.001 0.000 2.481 2171 Y HA 0.309 4.860 4.550 0.001 0.000 0.247 2171 Y C 0.632 176.508 175.900 -0.040 0.000 1.151 2171 Y CA -0.421 57.663 58.100 -0.028 0.000 1.238 2171 Y CB 0.983 39.418 38.460 -0.042 0.000 1.179 2171 Y HN -0.221 nan 8.280 nan 0.000 0.524 2172 I N 0.085 120.723 120.570 0.113 0.000 2.377 2172 I HA 0.390 4.561 4.170 0.001 0.000 0.293 2172 I C -0.204 175.974 176.117 0.101 0.000 0.987 2172 I CA -0.163 61.189 61.300 0.087 0.000 1.185 2172 I CB 1.642 39.730 38.000 0.147 0.000 1.341 2172 I HN -0.150 nan 8.210 nan 0.000 0.455 2173 S N 3.094 118.825 115.700 0.051 0.000 2.607 2173 S HA 0.695 5.166 4.470 0.001 0.000 0.273 2173 S C -0.742 173.794 174.600 -0.106 0.000 1.148 2173 S CA -0.716 57.465 58.200 -0.030 0.000 0.833 2173 S CB 2.006 65.148 63.200 -0.096 0.000 1.130 2173 S HN 0.688 nan 8.310 nan 0.000 0.470 2174 A N 1.433 123.990 122.820 -0.439 0.000 2.302 2174 A HA 0.517 4.838 4.320 0.001 0.000 0.295 2174 A C 0.756 178.210 177.584 -0.215 0.000 1.235 2174 A CA -0.127 51.705 52.037 -0.342 0.000 0.876 2174 A CB 0.264 18.878 19.000 -0.643 0.000 1.133 2174 A HN 0.796 nan 8.150 nan 0.000 0.533 2175 K N 2.443 122.783 120.400 -0.100 0.000 2.159 2175 K HA 0.202 4.523 4.320 0.001 0.000 0.210 2175 K C -0.079 176.489 176.600 -0.053 0.000 1.026 2175 K CA 1.472 57.718 56.287 -0.068 0.000 0.959 2175 K CB 0.118 32.601 32.500 -0.028 0.000 0.890 2175 K HN 0.645 nan 8.250 nan 0.000 0.459 2176 D N -0.988 119.397 120.400 -0.025 0.000 2.846 2176 D HA 0.101 4.742 4.640 0.001 0.000 0.273 2176 D C 0.031 176.329 176.300 -0.003 0.000 1.145 2176 D CA -0.322 53.669 54.000 -0.016 0.000 1.091 2176 D CB 0.597 41.394 40.800 -0.005 0.000 1.364 2176 D HN 0.135 nan 8.370 nan 0.000 0.613 2177 D N 0.242 120.644 120.400 0.003 0.000 2.495 2177 D HA -0.252 4.389 4.640 0.001 0.000 0.201 2177 D C 1.177 177.492 176.300 0.025 0.000 1.041 2177 D CA 1.908 55.916 54.000 0.012 0.000 0.890 2177 D CB 0.203 41.010 40.800 0.011 0.000 1.089 2177 D HN 0.164 nan 8.370 nan 0.000 0.471 2178 K N -0.752 119.667 120.400 0.031 0.000 2.313 2178 K HA 0.063 4.383 4.320 0.001 0.000 0.197 2178 K C 0.138 176.775 176.600 0.061 0.000 1.061 2178 K CA -0.283 56.031 56.287 0.045 0.000 0.980 2178 K CB 0.360 32.884 32.500 0.040 0.000 0.888 2178 K HN 0.144 nan 8.250 nan 0.000 0.502 2179 N N 0.940 119.674 118.700 0.056 0.000 2.520 2179 N HA 0.123 4.864 4.740 0.001 0.000 0.273 2179 N C -0.825 174.724 175.510 0.066 0.000 1.155 2179 N CA 0.505 53.603 53.050 0.079 0.000 0.967 2179 N CB 0.757 39.282 38.487 0.064 0.000 1.092 2179 N HN -0.011 nan 8.380 nan 0.000 0.457 2180 M N 1.378 121.036 119.600 0.098 0.000 2.093 2180 M HA 0.206 4.687 4.480 0.001 0.000 0.297 2180 M C -0.312 176.012 176.300 0.039 0.000 0.938 2180 M CA -0.689 54.637 55.300 0.044 0.000 0.920 2180 M CB 1.568 34.157 32.600 -0.019 0.000 1.517 2180 M HN 0.358 nan 8.290 nan 0.000 0.427 2181 K N 4.443 124.840 120.400 -0.005 0.000 2.453 2181 K HA 0.213 4.533 4.320 0.001 0.000 0.280 2181 K C -1.220 175.346 176.600 -0.057 0.000 1.045 2181 K CA 0.571 56.843 56.287 -0.025 0.000 1.059 2181 K CB 0.240 32.720 32.500 -0.033 0.000 0.901 2181 K HN 0.618 nan 8.250 nan 0.000 0.475 2182 I N 3.751 124.239 120.570 -0.136 0.000 2.436 2182 I HA 0.121 4.292 4.170 0.001 0.000 0.289 2182 I C -0.705 175.253 176.117 -0.265 0.000 1.010 2182 I CA -0.790 60.352 61.300 -0.262 0.000 1.098 2182 I CB 1.874 39.520 38.000 -0.589 0.000 1.266 2182 I HN 0.467 nan 8.210 nan 0.000 0.434 2183 D N 5.017 125.300 120.400 -0.196 0.000 2.638 2183 D HA 0.221 4.862 4.640 0.001 0.000 0.245 2183 D C 1.290 177.426 176.300 -0.273 0.000 1.176 2183 D CA 0.060 53.940 54.000 -0.201 0.000 0.996 2183 D CB 1.233 41.945 40.800 -0.146 0.000 1.012 2183 D HN 0.722 nan 8.370 nan 0.000 0.515 2184 G N 0.804 109.399 108.800 -0.343 0.000 2.491 2184 G HA2 -0.277 3.684 3.960 0.001 0.000 0.218 2184 G HA3 -0.277 3.684 3.960 0.001 0.000 0.218 2184 G C 1.704 176.474 174.900 -0.217 0.000 1.180 2184 G CA 0.777 45.676 45.100 -0.335 0.000 0.774 2184 G HN 0.511 nan 8.290 nan 0.000 0.562 2185 G N 0.621 109.307 108.800 -0.190 0.000 2.547 2185 G HA2 -0.278 3.683 3.960 0.001 0.000 0.221 2185 G HA3 -0.278 3.683 3.960 0.001 0.000 0.221 2185 G C 1.857 176.648 174.900 -0.181 0.000 1.140 2185 G CA 1.416 46.427 45.100 -0.149 0.000 0.760 2185 G HN 0.521 nan 8.290 nan 0.000 0.583 2186 K N -0.444 119.781 120.400 -0.292 0.000 2.186 2186 K HA 0.242 4.563 4.320 0.001 0.000 0.202 2186 K C 2.423 178.831 176.600 -0.321 0.000 1.052 2186 K CA 0.306 56.336 56.287 -0.429 0.000 0.965 2186 K CB -0.057 31.894 32.500 -0.915 0.000 0.746 2186 K HN 0.317 nan 8.250 nan 0.000 0.457 2187 I N 1.206 121.639 120.570 -0.229 0.000 2.394 2187 I HA -0.256 3.915 4.170 0.001 0.000 0.251 2187 I C 2.375 178.496 176.117 0.007 0.000 1.136 2187 I CA 1.117 62.385 61.300 -0.054 0.000 1.425 2187 I CB -0.069 37.899 38.000 -0.054 0.000 1.079 2187 I HN 0.112 nan 8.210 nan 0.000 0.425 2188 K N 1.117 121.500 120.400 -0.029 0.000 2.025 2188 K HA -0.129 4.192 4.320 0.001 0.000 0.207 2188 K C 2.227 178.839 176.600 0.020 0.000 1.049 2188 K CA 1.365 57.662 56.287 0.017 0.000 0.933 2188 K CB -0.118 32.377 32.500 -0.008 0.000 0.714 2188 K HN 0.274 nan 8.250 nan 0.000 0.438 2189 A N 0.979 123.785 122.820 -0.022 0.000 2.019 2189 A HA -0.130 4.190 4.320 0.001 0.000 0.219 2189 A C 2.009 179.606 177.584 0.022 0.000 1.164 2189 A CA 1.166 53.198 52.037 -0.008 0.000 0.644 2189 A CB -0.502 18.475 19.000 -0.039 0.000 0.805 2189 A HN 0.261 nan 8.150 nan 0.000 0.449 2190 L N -0.552 120.689 121.223 0.030 0.000 1.988 2190 L HA -0.157 4.183 4.340 0.001 0.000 0.207 2190 L C 2.401 179.318 176.870 0.077 0.000 1.071 2190 L CA 1.457 56.333 54.840 0.061 0.000 0.744 2190 L CB -0.483 41.632 42.059 0.092 0.000 0.893 2190 L HN 0.359 nan 8.230 nan 0.000 0.433 2191 I N -0.547 120.084 120.570 0.102 0.000 2.530 2191 I HA -0.291 3.879 4.170 0.001 0.000 0.257 2191 I C 2.528 178.706 176.117 0.100 0.000 1.179 2191 I CA 0.798 62.168 61.300 0.117 0.000 1.440 2191 I CB -0.273 37.817 38.000 0.151 0.000 1.087 2191 I HN 0.372 nan 8.210 nan 0.000 0.440 2192 Q N 1.058 120.908 119.800 0.084 0.000 2.119 2192 Q HA -0.226 4.114 4.340 0.001 0.000 0.201 2192 Q C 2.109 178.173 176.000 0.107 0.000 0.972 2192 Q CA 1.611 57.464 55.803 0.082 0.000 0.847 2192 Q CB -0.190 28.586 28.738 0.062 0.000 0.903 2192 Q HN 0.452 nan 8.270 nan 0.000 0.433 2193 Q N -1.082 118.776 119.800 0.097 0.000 2.084 2193 Q HA -0.132 4.208 4.340 0.001 0.000 0.202 2193 Q C 1.886 177.975 176.000 0.147 0.000 0.978 2193 Q CA 1.781 57.651 55.803 0.112 0.000 0.844 2193 Q CB 0.058 28.791 28.738 -0.009 0.000 0.898 2193 Q HN 0.307 nan 8.270 nan 0.000 0.426 2194 V N 0.664 120.641 119.914 0.105 0.000 2.233 2194 V HA -0.319 3.801 4.120 0.001 0.000 0.247 2194 V C 2.171 178.363 176.094 0.164 0.000 1.050 2194 V CA 2.044 64.423 62.300 0.132 0.000 1.010 2194 V CB -0.617 31.282 31.823 0.126 0.000 0.637 2194 V HN 0.398 nan 8.190 nan 0.000 0.444 2195 I N 0.490 121.141 120.570 0.136 0.000 2.118 2195 I HA -0.300 3.870 4.170 0.001 0.000 0.241 2195 I C 2.198 178.363 176.117 0.081 0.000 1.070 2195 I CA 1.982 63.341 61.300 0.098 0.000 1.327 2195 I CB -0.681 37.366 38.000 0.079 0.000 1.034 2195 I HN 0.307 nan 8.210 nan 0.000 0.405 2196 D N -0.513 119.950 120.400 0.106 0.000 2.309 2196 D HA -0.151 4.490 4.640 0.001 0.000 0.212 2196 D C 1.175 177.455 176.300 -0.033 0.000 0.968 2196 D CA 1.342 55.369 54.000 0.045 0.000 0.882 2196 D CB -0.266 40.576 40.800 0.069 0.000 0.918 2196 D HN 0.497 nan 8.370 nan 0.000 0.503 2197 H N -0.936 118.147 119.070 0.021 0.000 2.475 2197 H HA 0.321 4.877 4.556 0.001 0.000 0.276 2197 H C -0.048 175.292 175.328 0.020 0.000 1.126 2197 H CA -0.374 55.685 56.048 0.019 0.000 1.023 2197 H CB -0.016 29.762 29.762 0.027 0.000 1.669 2197 H HN -0.048 nan 8.280 nan 0.000 0.573 2198 L N 2.624 123.895 121.223 0.079 0.000 2.456 2198 L HA 0.174 4.515 4.340 0.001 0.000 0.272 2198 L C -1.544 175.329 176.870 0.004 0.000 1.189 2198 L CA -1.838 53.023 54.840 0.035 0.000 0.846 2198 L CB 0.235 42.261 42.059 -0.054 0.000 1.111 2198 L HN 0.162 nan 8.230 nan 0.000 0.475 2199 P HA 0.084 nan 4.420 nan 0.000 0.271 2199 P C -0.720 176.550 177.300 -0.051 0.000 1.218 2199 P CA -0.248 62.846 63.100 -0.011 0.000 0.780 2199 P CB 0.751 32.453 31.700 0.004 0.000 0.901 2200 T N 3.254 117.779 114.554 -0.049 0.000 2.792 2200 T HA 0.523 4.873 4.350 0.001 0.000 0.280 2200 T C -0.042 174.616 174.700 -0.069 0.000 0.990 2200 T CA -0.291 61.770 62.100 -0.064 0.000 0.960 2200 T CB 0.331 69.165 68.868 -0.057 0.000 0.939 2200 T HN 0.281 nan 8.240 nan 0.000 0.439 2201 M N 3.294 122.841 119.600 -0.089 0.000 2.181 2201 M HA 0.386 4.867 4.480 0.001 0.000 0.323 2201 M C -0.387 175.841 176.300 -0.122 0.000 1.004 2201 M CA -0.806 54.431 55.300 -0.105 0.000 0.941 2201 M CB 1.911 34.435 32.600 -0.127 0.000 1.579 2201 M HN 0.338 nan 8.290 nan 0.000 0.427 2202 Q N 3.784 123.517 119.800 -0.112 0.000 2.349 2202 Q HA 0.468 4.809 4.340 0.001 0.000 0.254 2202 Q C -1.144 174.760 176.000 -0.160 0.000 0.980 2202 Q CA -0.080 55.653 55.803 -0.117 0.000 0.924 2202 Q CB 0.557 29.245 28.738 -0.084 0.000 1.209 2202 Q HN 0.698 nan 8.270 nan 0.000 0.445 2203 L N 5.713 126.811 121.223 -0.208 0.000 2.492 2203 L HA 0.223 4.564 4.340 0.001 0.000 0.280 2203 L C -1.630 175.127 176.870 -0.189 0.000 1.240 2203 L CA -1.729 52.936 54.840 -0.292 0.000 0.831 2203 L CB -0.252 41.577 42.059 -0.382 0.000 1.100 2203 L HN 0.614 nan 8.230 nan 0.000 0.505 2204 P HA -0.020 nan 4.420 nan 0.000 0.272 2204 P C 0.295 177.565 177.300 -0.051 0.000 1.248 2204 P CA -0.316 62.733 63.100 -0.085 0.000 0.799 2204 P CB 0.506 32.178 31.700 -0.047 0.000 0.997 2205 K N 0.512 120.899 120.400 -0.020 0.000 1.971 2205 K HA -0.127 4.194 4.320 0.001 0.000 0.221 2205 K C 1.225 177.832 176.600 0.012 0.000 1.050 2205 K CA 2.023 58.307 56.287 -0.005 0.000 0.967 2205 K CB -1.180 31.323 32.500 0.004 0.000 0.733 2205 K HN 0.614 nan 8.250 nan 0.000 0.445 2206 G N 0.361 109.180 108.800 0.032 0.000 3.343 2206 G HA2 0.459 4.420 3.960 0.001 0.000 0.264 2206 G HA3 0.459 4.420 3.960 0.001 0.000 0.264 2206 G C -0.886 174.071 174.900 0.094 0.000 0.884 2206 G CA -0.056 45.076 45.100 0.054 0.000 1.916 2206 G HN 0.486 nan 8.290 nan 0.000 0.618 2207 A N 1.560 124.433 122.820 0.088 0.000 2.276 2207 A HA 0.511 4.831 4.320 0.001 0.000 0.316 2207 A C -0.149 177.560 177.584 0.209 0.000 1.229 2207 A CA -0.670 51.470 52.037 0.171 0.000 0.851 2207 A CB 0.993 19.995 19.000 0.003 0.000 1.165 2207 A HN 0.349 nan 8.150 nan 0.000 0.513 2208 D N 3.152 123.738 120.400 0.309 0.000 2.508 2208 D HA 0.171 4.812 4.640 0.001 0.000 0.224 2208 D C 0.736 177.217 176.300 0.303 0.000 1.171 2208 D CA -0.373 53.754 54.000 0.211 0.000 1.006 2208 D CB -0.228 40.632 40.800 0.100 0.000 1.073 2208 D HN 0.312 nan 8.370 nan 0.000 0.513 2209 I N 2.835 123.542 120.570 0.228 0.000 2.300 2209 I HA -0.291 3.880 4.170 0.001 0.000 0.252 2209 I C 2.361 178.570 176.117 0.153 0.000 1.119 2209 I CA 1.383 62.802 61.300 0.199 0.000 1.384 2209 I CB -0.501 37.556 38.000 0.093 0.000 1.062 2209 I HN 0.496 nan 8.210 nan 0.000 0.426 2210 A N 0.313 123.188 122.820 0.091 0.000 1.858 2210 A HA -0.258 4.062 4.320 0.001 0.000 0.216 2210 A C 2.550 180.143 177.584 0.013 0.000 1.190 2210 A CA 1.984 54.046 52.037 0.043 0.000 0.617 2210 A CB -0.658 18.354 19.000 0.020 0.000 0.827 2210 A HN 0.393 nan 8.150 nan 0.000 0.443 2211 R N -1.182 119.293 120.500 -0.041 0.000 2.082 2211 R HA -0.221 4.120 4.340 0.001 0.000 0.234 2211 R C 2.064 178.248 176.300 -0.194 0.000 1.136 2211 R CA 2.192 58.183 56.100 -0.182 0.000 0.935 2211 R CB -0.666 29.422 30.300 -0.354 0.000 0.842 2211 R HN 0.663 nan 8.270 nan 0.000 0.430 2212 W N 0.883 122.175 121.300 -0.013 0.000 2.325 2212 W HA -0.135 4.525 4.660 0.000 0.000 0.299 2212 W C 2.585 179.080 176.519 -0.039 0.000 1.215 2212 W CA 1.290 58.612 57.345 -0.037 0.000 1.244 2212 W CB -0.164 29.262 29.460 -0.056 0.000 1.140 2212 W HN 0.206 nan 8.180 nan 0.000 0.523 2213 R N 0.076 120.674 120.500 0.164 0.000 2.148 2213 R HA -0.123 4.218 4.340 0.001 0.000 0.227 2213 R C 1.913 178.241 176.300 0.047 0.000 1.103 2213 R CA 1.299 57.451 56.100 0.087 0.000 0.983 2213 R CB -0.329 30.006 30.300 0.059 0.000 0.874 2213 R HN -0.055 nan 8.270 nan 0.000 0.451 2214 K N 0.947 121.359 120.400 0.020 0.000 2.361 2214 K HA -0.074 4.246 4.320 0.001 0.000 0.196 2214 K C 1.631 178.231 176.600 0.001 0.000 1.039 2214 K CA 1.097 57.383 56.287 -0.001 0.000 1.001 2214 K CB 0.353 32.839 32.500 -0.023 0.000 0.795 2214 K HN -0.040 nan 8.250 nan 0.000 0.495 2215 E N -0.552 119.648 120.200 0.001 0.000 2.086 2215 E HA 0.018 4.368 4.350 0.001 0.000 0.190 2215 E C 1.251 177.900 176.600 0.082 0.000 0.975 2215 E CA 0.889 57.301 56.400 0.021 0.000 0.813 2215 E CB 0.036 29.700 29.700 -0.060 0.000 0.768 2215 E HN 0.215 nan 8.360 nan 0.000 0.457 2216 L N -0.531 120.748 121.223 0.094 0.000 2.202 2216 L HA 0.327 4.667 4.340 0.001 0.000 0.205 2216 L C 1.238 178.130 176.870 0.036 0.000 1.083 2216 L CA 1.060 55.941 54.840 0.067 0.000 0.790 2216 L CB -0.390 41.703 42.059 0.057 0.000 0.942 2216 L HN 0.294 nan 8.230 nan 0.000 0.452 2217 G N 0.162 108.980 108.800 0.029 0.000 2.710 2217 G HA2 -0.242 3.719 3.960 0.001 0.000 0.668 2217 G HA3 -0.242 3.719 3.960 0.001 0.000 0.668 2217 G C -0.045 174.856 174.900 0.001 0.000 1.320 2217 G CA -0.040 45.069 45.100 0.014 0.000 0.860 2217 G HN 0.354 nan 8.290 nan 0.000 0.538 2218 D N -0.554 119.843 120.400 -0.004 0.000 2.378 2218 D HA 0.361 5.002 4.640 0.001 0.000 0.227 2218 D C 2.129 178.415 176.300 -0.024 0.000 1.012 2218 D CA 1.591 55.583 54.000 -0.012 0.000 0.905 2218 D CB -0.057 40.738 40.800 -0.008 0.000 0.895 2218 D HN 1.072 nan 8.370 nan 0.000 0.532 2219 A N 0.263 123.067 122.820 -0.027 0.000 2.066 2219 A HA 0.247 4.567 4.320 0.001 0.000 0.218 2219 A C 1.145 178.684 177.584 -0.076 0.000 1.157 2219 A CA 0.943 52.953 52.037 -0.044 0.000 0.670 2219 A CB -0.357 18.620 19.000 -0.038 0.000 0.804 2219 A HN 0.353 nan 8.150 nan 0.000 0.453 2220 V N -4.614 115.262 119.914 -0.063 0.000 3.126 2220 V HA 0.833 4.954 4.120 0.001 0.000 0.314 2220 V C -0.545 175.515 176.094 -0.057 0.000 1.138 2220 V CA -0.659 61.592 62.300 -0.081 0.000 1.034 2220 V CB 1.922 33.695 31.823 -0.083 0.000 1.075 2220 V HN -0.016 nan 8.190 nan 0.000 0.442 2221 S N 2.066 117.727 115.700 -0.065 0.000 2.605 2221 S HA 0.744 5.215 4.470 0.001 0.000 0.308 2221 S C -0.680 173.892 174.600 -0.046 0.000 1.113 2221 S CA -0.415 57.757 58.200 -0.047 0.000 1.049 2221 S CB 0.948 64.118 63.200 -0.050 0.000 1.001 2221 S HN 0.684 nan 8.310 nan 0.000 0.480 2222 I N 2.996 123.550 120.570 -0.027 0.000 2.404 2222 I HA 0.352 4.523 4.170 0.001 0.000 0.293 2222 I C 0.908 177.014 176.117 -0.019 0.000 0.992 2222 I CA -0.468 60.815 61.300 -0.027 0.000 1.149 2222 I CB 1.981 39.980 38.000 -0.002 0.000 1.315 2222 I HN 0.674 nan 8.210 nan 0.000 0.446 2223 S N 3.619 119.301 115.700 -0.029 0.000 2.484 2223 S HA 0.202 4.673 4.470 0.001 0.000 0.256 2223 S C 0.429 175.022 174.600 -0.012 0.000 1.223 2223 S CA -0.083 58.104 58.200 -0.022 0.000 1.002 2223 S CB 0.894 64.076 63.200 -0.030 0.000 1.043 2223 S HN 0.675 nan 8.310 nan 0.000 0.517 2224 D N -0.335 120.059 120.400 -0.011 0.000 2.469 2224 D HA 0.183 4.823 4.640 0.001 0.000 0.213 2224 D C 1.072 177.367 176.300 -0.009 0.000 1.135 2224 D CA 0.377 54.375 54.000 -0.003 0.000 0.834 2224 D CB 0.541 41.342 40.800 0.001 0.000 1.009 2224 D HN 0.524 nan 8.370 nan 0.000 0.507 2225 S N -0.615 115.074 115.700 -0.019 0.000 2.556 2225 S HA 0.244 4.715 4.470 0.001 0.000 0.216 2225 S C 1.495 176.073 174.600 -0.037 0.000 0.970 2225 S CA 0.881 59.066 58.200 -0.024 0.000 0.912 2225 S CB 0.353 63.537 63.200 -0.026 0.000 0.790 2225 S HN 0.227 nan 8.310 nan 0.000 0.504 2226 G N 0.303 109.078 108.800 -0.043 0.000 2.136 2226 G HA2 -0.205 3.756 3.960 0.001 0.000 0.242 2226 G HA3 -0.205 3.756 3.960 0.001 0.000 0.242 2226 G C -0.073 174.770 174.900 -0.095 0.000 0.989 2226 G CA 0.079 45.136 45.100 -0.073 0.000 0.682 2226 G HN 0.700 nan 8.290 nan 0.000 0.522 2227 V N 1.335 121.204 119.914 -0.075 0.000 2.364 2227 V HA 0.503 4.623 4.120 0.001 0.000 0.272 2227 V C 0.700 176.742 176.094 -0.086 0.000 1.036 2227 V CA -0.555 61.696 62.300 -0.081 0.000 0.880 2227 V CB 1.598 33.383 31.823 -0.063 0.000 0.991 2227 V HN 0.335 nan 8.190 nan 0.000 0.460 2228 V N 4.836 124.685 119.914 -0.108 0.000 2.481 2228 V HA 0.655 4.776 4.120 0.001 0.000 0.286 2228 V C 0.339 176.370 176.094 -0.106 0.000 1.042 2228 V CA -0.366 61.868 62.300 -0.110 0.000 0.928 2228 V CB 1.618 33.357 31.823 -0.139 0.000 0.986 2228 V HN 0.964 nan 8.190 nan 0.000 0.462 2229 T N 2.564 117.055 114.554 -0.104 0.000 2.881 2229 T HA 0.627 4.978 4.350 0.001 0.000 0.290 2229 T C -0.547 174.065 174.700 -0.147 0.000 1.000 2229 T CA -0.761 61.270 62.100 -0.115 0.000 0.978 2229 T CB 1.278 70.091 68.868 -0.092 0.000 0.997 2229 T HN 0.292 nan 8.240 nan 0.000 0.443 2230 I N 3.245 123.689 120.570 -0.210 0.000 2.813 2230 I HA 0.126 4.297 4.170 0.001 0.000 0.287 2230 I C 0.646 176.625 176.117 -0.230 0.000 1.196 2230 I CA -0.222 60.891 61.300 -0.312 0.000 1.421 2230 I CB -0.220 37.415 38.000 -0.608 0.000 1.365 2230 I HN 0.708 nan 8.210 nan 0.000 0.591 2231 N N 7.988 126.569 118.700 -0.198 0.000 2.408 2231 N HA 0.194 4.935 4.740 0.001 0.000 0.257 2231 N C -1.698 173.746 175.510 -0.111 0.000 1.064 2231 N CA -1.030 51.948 53.050 -0.120 0.000 0.952 2231 N CB 1.324 39.766 38.487 -0.076 0.000 1.093 2231 N HN 0.403 nan 8.380 nan 0.000 0.490 2232 P HA 0.075 nan 4.420 nan 0.000 0.255 2232 P C 0.060 177.366 177.300 0.010 0.000 1.301 2232 P CA 0.145 63.231 63.100 -0.023 0.000 0.817 2232 P CB 0.561 32.254 31.700 -0.012 0.000 1.259 2233 D N 1.481 121.881 120.400 -0.000 0.000 2.160 2233 D HA -0.219 4.421 4.640 0.001 0.000 0.189 2233 D C 1.870 178.183 176.300 0.022 0.000 1.003 2233 D CA 1.736 55.742 54.000 0.010 0.000 0.846 2233 D CB -0.293 40.509 40.800 0.003 0.000 0.949 2233 D HN 0.123 nan 8.370 nan 0.000 0.446 2234 K N -0.111 120.307 120.400 0.030 0.000 2.009 2234 K HA -0.067 4.253 4.320 0.001 0.000 0.210 2234 K C 2.184 178.797 176.600 0.022 0.000 1.049 2234 K CA 0.720 57.024 56.287 0.028 0.000 0.929 2234 K CB -0.375 32.164 32.500 0.065 0.000 0.714 2234 K HN 0.135 nan 8.250 nan 0.000 0.440 2235 L N 0.357 121.618 121.223 0.063 0.000 2.131 2235 L HA -0.184 4.157 4.340 0.001 0.000 0.210 2235 L C 1.989 178.898 176.870 0.064 0.000 1.092 2235 L CA 0.486 55.366 54.840 0.067 0.000 0.759 2235 L CB -0.384 41.742 42.059 0.111 0.000 0.903 2235 L HN 0.185 nan 8.230 nan 0.000 0.435 2236 I N -0.138 120.465 120.570 0.055 0.000 2.142 2236 I HA -0.246 3.925 4.170 0.001 0.000 0.240 2236 I C 2.550 178.709 176.117 0.069 0.000 1.078 2236 I CA 1.407 62.742 61.300 0.059 0.000 1.343 2236 I CB -1.105 36.920 38.000 0.043 0.000 1.046 2236 I HN 0.230 nan 8.210 nan 0.000 0.405 2237 K N 0.371 120.801 120.400 0.050 0.000 2.034 2237 K HA -0.194 4.126 4.320 0.001 0.000 0.214 2237 K C 2.114 178.769 176.600 0.091 0.000 1.051 2237 K CA 1.624 57.944 56.287 0.056 0.000 0.931 2237 K CB -0.518 31.995 32.500 0.023 0.000 0.715 2237 K HN 0.369 nan 8.250 nan 0.000 0.446 2238 M N 0.041 119.668 119.600 0.044 0.000 2.065 2238 M HA -0.187 4.293 4.480 0.001 0.000 0.259 2238 M C 2.473 178.979 176.300 0.344 0.000 1.069 2238 M CA 1.583 56.947 55.300 0.106 0.000 1.110 2238 M CB -0.465 32.012 32.600 -0.204 0.000 1.328 2238 M HN 0.120 nan 8.290 nan 0.000 0.405 2239 R N 0.610 121.246 120.500 0.227 0.000 2.091 2239 R HA -0.161 4.180 4.340 0.001 0.000 0.238 2239 R C 0.582 176.994 176.300 0.187 0.000 1.136 2239 R CA 1.623 57.849 56.100 0.210 0.000 0.959 2239 R CB -0.285 30.096 30.300 0.134 0.000 0.856 2239 R HN 0.343 nan 8.270 nan 0.000 0.437 2240 D N -0.405 120.090 120.400 0.158 0.000 2.344 2240 D HA -0.012 4.628 4.640 0.001 0.000 0.242 2240 D C 0.615 177.020 176.300 0.175 0.000 1.159 2240 D CA 0.412 54.492 54.000 0.134 0.000 0.859 2240 D CB 0.444 41.304 40.800 0.100 0.000 0.925 2240 D HN 0.247 nan 8.370 nan 0.000 0.510 2241 S N -1.122 114.736 115.700 0.262 0.000 2.578 2241 S HA 0.195 4.665 4.470 0.001 0.000 0.231 2241 S C 0.595 175.368 174.600 0.289 0.000 0.994 2241 S CA -0.483 57.928 58.200 0.353 0.000 0.956 2241 S CB 0.286 63.785 63.200 0.499 0.000 0.870 2241 S HN 0.052 nan 8.310 nan 0.000 0.494 2242 L N 3.705 125.010 121.223 0.136 0.000 2.257 2242 L HA 0.502 4.843 4.340 0.001 0.000 0.290 2242 L C -2.137 174.650 176.870 -0.138 0.000 1.044 2242 L CA -2.115 52.656 54.840 -0.115 0.000 0.810 2242 L CB 0.805 42.833 42.059 -0.050 0.000 1.193 2242 L HN 0.050 nan 8.230 nan 0.000 0.425 2243 P HA 0.335 nan 4.420 nan 0.000 0.286 2243 P C -2.726 174.475 177.300 -0.166 0.000 1.293 2243 P CA -1.355 61.660 63.100 -0.141 0.000 0.770 2243 P CB -0.132 31.490 31.700 -0.131 0.000 1.206 2244 P HA 0.186 nan 4.420 nan 0.000 0.284 2244 P C -0.371 176.846 177.300 -0.138 0.000 1.292 2244 P CA -0.267 62.768 63.100 -0.108 0.000 0.800 2244 P CB 0.425 32.090 31.700 -0.058 0.000 1.188 2245 D N -0.950 119.374 120.400 -0.126 0.000 2.346 2245 D HA 0.152 4.793 4.640 0.001 0.000 0.236 2245 D C 1.375 177.623 176.300 -0.087 0.000 1.259 2245 D CA 1.395 55.320 54.000 -0.126 0.000 0.898 2245 D CB -0.459 40.271 40.800 -0.117 0.000 1.178 2245 D HN 0.709 nan 8.370 nan 0.000 0.457 2246 G N 0.442 109.199 108.800 -0.071 0.000 2.296 2246 G HA2 -0.285 3.675 3.960 0.001 0.000 0.282 2246 G HA3 -0.285 3.675 3.960 0.001 0.000 0.282 2246 G C 0.301 175.182 174.900 -0.031 0.000 1.014 2246 G CA 0.856 45.931 45.100 -0.042 0.000 0.812 2246 G HN 0.470 nan 8.290 nan 0.000 0.508 2247 T N 0.283 114.803 114.554 -0.056 0.000 2.728 2247 T HA 0.436 4.786 4.350 0.001 0.000 0.296 2247 T C 0.375 175.093 174.700 0.030 0.000 0.940 2247 T CA -0.343 61.749 62.100 -0.014 0.000 1.013 2247 T CB 2.040 70.859 68.868 -0.081 0.000 0.912 2247 T HN 0.182 nan 8.240 nan 0.000 0.484 2248 V N 5.529 125.506 119.914 0.104 0.000 2.334 2248 V HA 0.238 4.358 4.120 0.001 0.000 0.267 2248 V C -0.241 176.020 176.094 0.278 0.000 1.040 2248 V CA -0.697 61.682 62.300 0.132 0.000 0.866 2248 V CB 0.051 31.920 31.823 0.076 0.000 1.019 2248 V HN 0.772 nan 8.190 nan 0.000 0.468 2249 W N 3.081 124.378 121.300 -0.004 0.000 1.940 2249 W HA 0.390 5.050 4.660 0.001 0.000 0.516 2249 W C 0.592 177.133 176.519 0.037 0.000 2.058 2249 W CA -0.437 56.919 57.345 0.019 0.000 2.332 2249 W CB 0.246 29.733 29.460 0.044 0.000 1.870 2249 W HN 0.500 nan 8.180 nan 0.000 0.766 2250 D N -1.442 119.100 120.400 0.238 0.000 2.547 2250 D HA 0.156 4.797 4.640 0.001 0.000 0.231 2250 D C 0.520 176.928 176.300 0.181 0.000 1.099 2250 D CA -0.267 53.809 54.000 0.126 0.000 0.901 2250 D CB 2.229 43.036 40.800 0.012 0.000 1.478 2250 D HN 0.172 nan 8.370 nan 0.000 0.471 2251 T N 1.570 116.202 114.554 0.131 0.000 2.635 2251 T HA -0.144 4.207 4.350 0.001 0.000 0.267 2251 T C 1.673 176.474 174.700 0.169 0.000 1.040 2251 T CA 2.263 64.448 62.100 0.142 0.000 1.156 2251 T CB -0.284 68.637 68.868 0.088 0.000 0.863 2251 T HN 0.582 nan 8.240 nan 0.000 0.430 2252 A N 0.747 123.629 122.820 0.104 0.000 2.067 2252 A HA 0.092 4.412 4.320 0.001 0.000 0.217 2252 A C 2.180 179.808 177.584 0.072 0.000 1.156 2252 A CA 1.334 53.422 52.037 0.085 0.000 0.683 2252 A CB -0.363 18.659 19.000 0.038 0.000 0.808 2252 A HN 0.292 nan 8.150 nan 0.000 0.455 2253 R N -0.997 119.523 120.500 0.034 0.000 2.061 2253 R HA -0.141 4.199 4.340 0.001 0.000 0.230 2253 R C 1.889 178.285 176.300 0.160 0.000 1.140 2253 R CA 2.032 58.052 56.100 -0.133 0.000 0.940 2253 R CB -1.158 28.878 30.300 -0.441 0.000 0.839 2253 R HN 0.523 nan 8.270 nan 0.000 0.429 2254 Y N 1.492 122.042 120.300 0.417 0.000 2.069 2254 Y HA -0.370 4.181 4.550 0.001 0.000 0.278 2254 Y C 2.123 178.311 175.900 0.479 0.000 1.175 2254 Y CA 2.540 61.026 58.100 0.645 0.000 1.134 2254 Y CB -0.260 38.439 38.460 0.398 0.000 0.965 2254 Y HN 0.277 nan 8.280 nan 0.000 0.498 2255 Q N -0.326 119.744 119.800 0.451 0.000 2.217 2255 Q HA -0.316 4.025 4.340 0.001 0.000 0.209 2255 Q C 2.446 178.558 176.000 0.187 0.000 0.988 2255 Q CA 1.414 57.385 55.803 0.281 0.000 0.878 2255 Q CB -0.477 28.379 28.738 0.197 0.000 0.909 2255 Q HN 0.675 nan 8.270 nan 0.000 0.424 2256 A N 0.666 123.605 122.820 0.197 0.000 1.835 2256 A HA -0.215 4.106 4.320 0.001 0.000 0.215 2256 A C 1.736 179.455 177.584 0.224 0.000 1.199 2256 A CA 1.468 53.605 52.037 0.166 0.000 0.615 2256 A CB -1.360 17.707 19.000 0.112 0.000 0.838 2256 A HN 0.668 nan 8.150 nan 0.000 0.444 2257 W N 1.078 122.465 121.300 0.145 0.000 2.338 2257 W HA -0.240 4.420 4.660 0.001 0.000 0.304 2257 W C 1.843 178.341 176.519 -0.035 0.000 1.212 2257 W CA 2.082 59.482 57.345 0.091 0.000 1.264 2257 W CB -0.473 29.057 29.460 0.117 0.000 1.142 2257 W HN 0.442 nan 8.180 nan 0.000 0.512 2258 N N -0.337 118.239 118.700 -0.207 0.000 2.036 2258 N HA -0.222 4.518 4.740 0.001 0.000 0.195 2258 N C 1.735 177.117 175.510 -0.214 0.000 1.037 2258 N CA 3.042 55.827 53.050 -0.441 0.000 0.855 2258 N CB -0.735 37.656 38.487 -0.161 0.000 1.033 2258 N HN 0.149 nan 8.380 nan 0.000 0.423 2259 T N 0.096 114.611 114.554 -0.064 0.000 2.555 2259 T HA -0.229 4.122 4.350 0.001 0.000 0.264 2259 T C 1.815 176.488 174.700 -0.044 0.000 1.083 2259 T CA 1.947 64.033 62.100 -0.024 0.000 1.179 2259 T CB -0.945 67.935 68.868 0.020 0.000 0.863 2259 T HN 0.440 nan 8.240 nan 0.000 0.412 2260 A N 1.037 123.840 122.820 -0.028 0.000 1.859 2260 A HA -0.131 4.189 4.320 0.001 0.000 0.217 2260 A C 2.064 179.612 177.584 -0.060 0.000 1.198 2260 A CA 2.058 54.084 52.037 -0.019 0.000 0.629 2260 A CB -1.309 17.709 19.000 0.030 0.000 0.830 2260 A HN 0.457 nan 8.150 nan 0.000 0.446 2261 F N 1.440 121.183 119.950 -0.345 0.000 2.063 2261 F HA -0.268 4.259 4.527 0.001 0.000 0.298 2261 F C 2.719 178.344 175.800 -0.291 0.000 1.109 2261 F CA 2.217 59.952 58.000 -0.443 0.000 1.212 2261 F CB -0.427 37.984 39.000 -0.982 0.000 0.973 2261 F HN 0.221 nan 8.300 nan 0.000 0.480 2262 S N -0.018 115.617 115.700 -0.109 0.000 2.382 2262 S HA -0.137 4.333 4.470 0.001 0.000 0.228 2262 S C 2.344 176.888 174.600 -0.092 0.000 1.027 2262 S CA 1.028 59.165 58.200 -0.105 0.000 0.991 2262 S CB -1.283 61.880 63.200 -0.061 0.000 0.823 2262 S HN 0.634 nan 8.310 nan 0.000 0.469 2263 G N 1.151 109.908 108.800 -0.072 0.000 2.476 2263 G HA2 -0.315 3.646 3.960 0.001 0.000 0.218 2263 G HA3 -0.315 3.646 3.960 0.001 0.000 0.218 2263 G C 1.402 176.270 174.900 -0.054 0.000 1.164 2263 G CA 1.269 46.343 45.100 -0.043 0.000 0.768 2263 G HN 0.397 nan 8.290 nan 0.000 0.560 2264 Q N 0.226 119.958 119.800 -0.112 0.000 2.096 2264 Q HA -0.033 4.308 4.340 0.001 0.000 0.204 2264 Q C 2.455 178.398 176.000 -0.096 0.000 0.982 2264 Q CA 1.762 57.488 55.803 -0.128 0.000 0.850 2264 Q CB -0.313 28.285 28.738 -0.233 0.000 0.901 2264 Q HN 0.570 nan 8.270 nan 0.000 0.422 2265 K N -0.116 120.197 120.400 -0.146 0.000 2.074 2265 K HA -0.210 4.110 4.320 0.001 0.000 0.209 2265 K C 1.087 177.814 176.600 0.212 0.000 1.048 2265 K CA 1.820 58.111 56.287 0.005 0.000 0.926 2265 K CB -0.077 32.351 32.500 -0.120 0.000 0.713 2265 K HN 0.213 nan 8.250 nan 0.000 0.444 2266 D N -0.166 120.298 120.400 0.106 0.000 2.224 2266 D HA -0.079 4.561 4.640 0.001 0.000 0.205 2266 D C 1.399 177.751 176.300 0.087 0.000 0.965 2266 D CA 0.752 54.826 54.000 0.124 0.000 0.852 2266 D CB -0.205 40.635 40.800 0.066 0.000 0.947 2266 D HN 0.336 nan 8.370 nan 0.000 0.494 2267 N N 0.098 118.828 118.700 0.050 0.000 2.188 2267 N HA -0.047 4.693 4.740 0.001 0.000 0.184 2267 N C 1.823 177.355 175.510 0.036 0.000 1.018 2267 N CA 0.387 53.455 53.050 0.031 0.000 0.858 2267 N CB 0.205 38.698 38.487 0.010 0.000 0.989 2267 N HN 0.128 nan 8.380 nan 0.000 0.426 2268 I N 1.185 121.792 120.570 0.062 0.000 2.226 2268 I HA -0.275 3.895 4.170 0.001 0.000 0.245 2268 I C 2.667 178.739 176.117 -0.075 0.000 1.100 2268 I CA 1.121 62.442 61.300 0.034 0.000 1.374 2268 I CB -0.412 37.630 38.000 0.069 0.000 1.057 2268 I HN 0.306 nan 8.210 nan 0.000 0.413 2269 Q N 1.287 121.090 119.800 0.004 0.000 2.079 2269 Q HA -0.256 4.085 4.340 0.001 0.000 0.200 2269 Q C 2.134 178.106 176.000 -0.047 0.000 0.974 2269 Q CA 1.764 57.564 55.803 -0.004 0.000 0.840 2269 Q CB -0.156 28.730 28.738 0.246 0.000 0.898 2269 Q HN 0.400 nan 8.270 nan 0.000 0.430 2270 N N 0.884 119.584 118.700 0.000 0.000 2.120 2270 N HA -0.187 4.553 4.740 0.001 0.000 0.188 2270 N C 1.072 176.557 175.510 -0.042 0.000 1.024 2270 N CA 1.867 54.913 53.050 -0.007 0.000 0.852 2270 N CB -0.373 38.121 38.487 0.012 0.000 1.003 2270 N HN 0.257 nan 8.380 nan 0.000 0.424 2271 D N 0.240 120.606 120.400 -0.056 0.000 2.127 2271 D HA -0.137 4.503 4.640 0.001 0.000 0.190 2271 D C 2.040 178.267 176.300 -0.122 0.000 1.000 2271 D CA 1.325 55.285 54.000 -0.067 0.000 0.839 2271 D CB -0.502 40.270 40.800 -0.047 0.000 0.955 2271 D HN 0.140 nan 8.370 nan 0.000 0.446 2272 V N 0.548 120.307 119.914 -0.258 0.000 2.626 2272 V HA -0.189 3.932 4.120 0.001 0.000 0.252 2272 V C 2.410 178.361 176.094 -0.238 0.000 1.067 2272 V CA 1.345 63.408 62.300 -0.395 0.000 1.081 2272 V CB -0.454 30.750 31.823 -1.033 0.000 0.686 2272 V HN 0.206 nan 8.190 nan 0.000 0.468 2273 Q N -0.156 119.555 119.800 -0.148 0.000 2.020 2273 Q HA -0.146 4.194 4.340 0.001 0.000 0.198 2273 Q C 2.452 178.450 176.000 -0.004 0.000 0.974 2273 Q CA 2.012 57.788 55.803 -0.045 0.000 0.829 2273 Q CB -0.370 28.364 28.738 -0.006 0.000 0.894 2273 Q HN 0.626 nan 8.270 nan 0.000 0.433 2274 T N 2.013 116.563 114.554 -0.007 0.000 2.635 2274 T HA -0.170 4.181 4.350 0.001 0.000 0.267 2274 T C 1.815 176.547 174.700 0.054 0.000 1.040 2274 T CA 1.222 63.334 62.100 0.021 0.000 1.156 2274 T CB -0.353 68.523 68.868 0.013 0.000 0.863 2274 T HN 0.183 nan 8.240 nan 0.000 0.430 2275 L N 0.672 121.916 121.223 0.036 0.000 2.456 2275 L HA 0.000 4.341 4.340 0.001 0.000 0.224 2275 L C 2.278 179.235 176.870 0.146 0.000 1.148 2275 L CA 0.313 55.204 54.840 0.085 0.000 0.825 2275 L CB -0.374 41.694 42.059 0.015 0.000 0.937 2275 L HN 0.134 nan 8.230 nan 0.000 0.450 2276 V N -0.686 119.290 119.914 0.104 0.000 2.992 2276 V HA -0.084 4.036 4.120 0.001 0.000 0.250 2276 V C 2.137 178.351 176.094 0.199 0.000 1.090 2276 V CA 0.913 63.315 62.300 0.169 0.000 1.101 2276 V CB 0.138 32.020 31.823 0.098 0.000 0.743 2276 V HN 0.436 nan 8.190 nan 0.000 0.468 2277 E N 0.167 120.445 120.200 0.130 0.000 2.110 2277 E HA -0.206 4.145 4.350 0.001 0.000 0.193 2277 E C 2.124 178.807 176.600 0.139 0.000 0.988 2277 E CA 1.044 57.505 56.400 0.100 0.000 0.804 2277 E CB -0.112 29.623 29.700 0.057 0.000 0.745 2277 E HN 0.512 nan 8.360 nan 0.000 0.458 2278 K N 0.390 120.912 120.400 0.203 0.000 2.057 2278 K HA -0.168 4.152 4.320 0.001 0.000 0.206 2278 K C 2.224 178.981 176.600 0.262 0.000 1.050 2278 K CA 1.199 57.664 56.287 0.297 0.000 0.935 2278 K CB -0.335 32.390 32.500 0.375 0.000 0.715 2278 K HN 0.162 nan 8.250 nan 0.000 0.439 2279 Y N 1.862 122.287 120.300 0.208 0.000 2.097 2279 Y HA -0.263 4.288 4.550 0.002 0.000 0.282 2279 Y C 2.668 178.497 175.900 -0.118 0.000 1.152 2279 Y CA 1.885 59.976 58.100 -0.015 0.000 1.136 2279 Y CB -0.653 37.913 38.460 0.175 0.000 0.975 2279 Y HN -0.005 nan 8.280 nan 0.000 0.498 2280 S N -0.987 114.644 115.700 -0.116 0.000 2.419 2280 S HA -0.261 4.210 4.470 0.001 0.000 0.233 2280 S C 2.161 176.688 174.600 -0.122 0.000 1.016 2280 S CA 1.417 59.491 58.200 -0.210 0.000 0.974 2280 S CB -0.940 62.240 63.200 -0.033 0.000 0.786 2280 S HN 0.812 nan 8.310 nan 0.000 0.492 2281 H N -0.058 118.918 119.070 -0.157 0.000 2.357 2281 H HA -0.097 4.459 4.556 0.000 0.000 0.301 2281 H C 2.325 177.545 175.328 -0.179 0.000 1.082 2281 H CA 1.644 57.619 56.048 -0.123 0.000 1.342 2281 H CB -0.171 29.554 29.762 -0.061 0.000 1.389 2281 H HN 0.512 nan 8.280 nan 0.000 0.511 2282 Q N 1.339 120.901 119.800 -0.396 0.000 2.045 2282 Q HA -0.198 4.143 4.340 0.001 0.000 0.206 2282 Q C 1.828 177.642 176.000 -0.311 0.000 0.991 2282 Q CA 2.260 57.750 55.803 -0.521 0.000 0.851 2282 Q CB -0.485 27.674 28.738 -0.967 0.000 0.911 2282 Q HN 0.409 nan 8.270 nan 0.000 0.418 2283 N N -0.255 118.249 118.700 -0.327 0.000 2.205 2283 N HA -0.130 4.611 4.740 0.001 0.000 0.186 2283 N C 1.664 177.165 175.510 -0.015 0.000 1.015 2283 N CA 1.370 54.333 53.050 -0.146 0.000 0.862 2283 N CB -0.662 37.683 38.487 -0.236 0.000 0.986 2283 N HN 0.355 nan 8.380 nan 0.000 0.429 2284 S N 0.605 116.273 115.700 -0.053 0.000 2.383 2284 S HA 0.013 4.484 4.470 0.001 0.000 0.227 2284 S C 1.595 176.186 174.600 -0.015 0.000 1.026 2284 S CA 0.698 58.898 58.200 -0.001 0.000 0.981 2284 S CB -0.082 63.143 63.200 0.041 0.000 0.818 2284 S HN 0.293 nan 8.310 nan 0.000 0.472 2285 N N 0.526 119.175 118.700 -0.084 0.000 2.188 2285 N HA -0.080 4.661 4.740 0.001 0.000 0.184 2285 N C 1.452 176.944 175.510 -0.030 0.000 1.018 2285 N CA 1.097 54.094 53.050 -0.088 0.000 0.858 2285 N CB -0.583 37.804 38.487 -0.167 0.000 0.989 2285 N HN 0.484 nan 8.380 nan 0.000 0.426 2286 F N 2.871 122.758 119.950 -0.106 0.000 2.025 2286 F HA -0.241 4.286 4.527 -0.000 0.000 0.297 2286 F C 1.902 177.673 175.800 -0.050 0.000 1.132 2286 F CA 1.699 59.656 58.000 -0.072 0.000 1.191 2286 F CB -0.412 38.545 39.000 -0.072 0.000 0.963 2286 F HN -0.089 nan 8.300 nan 0.000 0.481 2287 D N 0.350 120.788 120.400 0.064 0.000 2.154 2287 D HA -0.249 4.392 4.640 0.001 0.000 0.190 2287 D C 1.845 178.073 176.300 -0.120 0.000 1.003 2287 D CA 1.907 55.893 54.000 -0.023 0.000 0.849 2287 D CB -0.844 39.990 40.800 0.057 0.000 0.942 2287 D HN 0.332 nan 8.370 nan 0.000 0.446 2288 N N 0.486 119.134 118.700 -0.087 0.000 2.018 2288 N HA -0.147 4.594 4.740 0.001 0.000 0.196 2288 N C 1.923 177.353 175.510 -0.132 0.000 1.043 2288 N CA 0.532 53.531 53.050 -0.086 0.000 0.856 2288 N CB -0.743 37.708 38.487 -0.059 0.000 1.042 2288 N HN 0.170 nan 8.380 nan 0.000 0.423 2289 L N 0.656 121.775 121.223 -0.173 0.000 2.010 2289 L HA -0.256 4.085 4.340 0.001 0.000 0.219 2289 L C 1.776 178.493 176.870 -0.255 0.000 1.077 2289 L CA 1.462 56.178 54.840 -0.207 0.000 0.773 2289 L CB -0.350 41.559 42.059 -0.250 0.000 0.892 2289 L HN 0.031 nan 8.230 nan 0.000 0.436 2290 V N -0.414 119.268 119.914 -0.386 0.000 2.343 2290 V HA -0.298 3.822 4.120 0.001 0.000 0.247 2290 V C 2.577 178.564 176.094 -0.178 0.000 1.051 2290 V CA 2.147 64.241 62.300 -0.344 0.000 1.036 2290 V CB -0.797 30.780 31.823 -0.409 0.000 0.654 2290 V HN 0.460 nan 8.190 nan 0.000 0.451 2291 K N 0.557 120.873 120.400 -0.140 0.000 2.057 2291 K HA -0.093 4.227 4.320 0.001 0.000 0.206 2291 K C 1.913 178.468 176.600 -0.075 0.000 1.050 2291 K CA 1.595 57.831 56.287 -0.084 0.000 0.935 2291 K CB -0.715 31.748 32.500 -0.062 0.000 0.715 2291 K HN 0.253 nan 8.250 nan 0.000 0.439 2292 V N 1.230 121.094 119.914 -0.083 0.000 2.295 2292 V HA -0.243 3.877 4.120 0.001 0.000 0.246 2292 V C 2.338 178.394 176.094 -0.065 0.000 1.049 2292 V CA 1.802 64.063 62.300 -0.066 0.000 1.024 2292 V CB -0.427 31.358 31.823 -0.064 0.000 0.648 2292 V HN 0.293 nan 8.190 nan 0.000 0.447 2293 L N -0.237 120.936 121.223 -0.084 0.000 1.971 2293 L HA -0.240 4.100 4.340 0.001 0.000 0.215 2293 L C 2.760 179.596 176.870 -0.056 0.000 1.072 2293 L CA 2.144 56.941 54.840 -0.072 0.000 0.758 2293 L CB -0.994 41.008 42.059 -0.095 0.000 0.889 2293 L HN 0.408 nan 8.230 nan 0.000 0.433 2294 S N 0.026 115.689 115.700 -0.061 0.000 2.381 2294 S HA -0.236 4.235 4.470 0.001 0.000 0.230 2294 S C 1.943 176.523 174.600 -0.034 0.000 1.052 2294 S CA 1.828 60.002 58.200 -0.045 0.000 1.068 2294 S CB -0.642 62.530 63.200 -0.047 0.000 0.918 2294 S HN 0.591 nan 8.310 nan 0.000 0.448 2295 G N 0.426 109.204 108.800 -0.036 0.000 2.422 2295 G HA2 0.001 3.962 3.960 0.001 0.000 0.218 2295 G HA3 0.001 3.962 3.960 0.001 0.000 0.218 2295 G C 1.678 176.563 174.900 -0.025 0.000 1.146 2295 G CA 1.031 46.114 45.100 -0.028 0.000 0.769 2295 G HN 0.730 nan 8.290 nan 0.000 0.547 2296 A N 0.997 123.800 122.820 -0.029 0.000 1.883 2296 A HA -0.025 4.295 4.320 0.001 0.000 0.217 2296 A C 2.355 179.927 177.584 -0.020 0.000 1.186 2296 A CA 1.451 53.473 52.037 -0.025 0.000 0.624 2296 A CB -0.394 18.589 19.000 -0.028 0.000 0.822 2296 A HN 0.386 nan 8.150 nan 0.000 0.444 2297 I N 0.107 120.664 120.570 -0.022 0.000 2.493 2297 I HA -0.195 3.976 4.170 0.001 0.000 0.254 2297 I C 2.520 178.629 176.117 -0.014 0.000 1.160 2297 I CA 1.030 62.319 61.300 -0.017 0.000 1.445 2297 I CB -0.216 37.773 38.000 -0.017 0.000 1.086 2297 I HN 0.212 nan 8.210 nan 0.000 0.433 2298 S N 0.458 116.149 115.700 -0.015 0.000 2.351 2298 S HA -0.197 4.274 4.470 0.001 0.000 0.220 2298 S C 2.119 176.712 174.600 -0.011 0.000 1.035 2298 S CA 2.129 60.322 58.200 -0.013 0.000 1.031 2298 S CB -0.617 62.575 63.200 -0.013 0.000 0.928 2298 S HN 0.443 nan 8.310 nan 0.000 0.433 2299 T N 2.919 117.465 114.554 -0.012 0.000 2.665 2299 T HA -0.060 4.290 4.350 0.001 0.000 0.268 2299 T C 1.354 176.049 174.700 -0.009 0.000 1.035 2299 T CA 1.114 63.208 62.100 -0.011 0.000 1.151 2299 T CB -0.506 68.354 68.868 -0.012 0.000 0.862 2299 T HN 0.260 nan 8.240 nan 0.000 0.438 2300 L N 2.216 123.433 121.223 -0.010 0.000 2.682 2300 L HA 0.114 4.454 4.340 0.001 0.000 0.240 2300 L C 1.924 178.790 176.870 -0.007 0.000 1.178 2300 L CA 0.251 55.086 54.840 -0.009 0.000 0.970 2300 L CB -0.744 41.309 42.059 -0.009 0.000 1.179 2300 L HN 0.337 nan 8.230 nan 0.000 0.435 2301 T N -5.542 109.008 114.554 -0.007 0.000 3.252 2301 T HA 0.038 4.388 4.350 0.001 0.000 0.250 2301 T C 0.304 175.002 174.700 -0.005 0.000 1.123 2301 T CA -0.118 61.978 62.100 -0.006 0.000 1.006 2301 T CB -0.355 68.509 68.868 -0.006 0.000 0.992 2301 T HN 0.097 nan 8.240 nan 0.000 0.547 2302 D N 1.756 122.153 120.400 -0.005 0.000 2.683 2302 D HA 0.219 4.859 4.640 0.001 0.000 0.309 2302 D C -0.513 175.785 176.300 -0.004 0.000 1.238 2302 D CA -0.235 53.763 54.000 -0.004 0.000 0.936 2302 D CB 0.569 41.366 40.800 -0.004 0.000 1.001 2302 D HN 0.111 nan 8.370 nan 0.000 0.505 2303 T N 1.056 115.608 114.554 -0.004 0.000 2.978 2303 T HA 0.288 4.638 4.350 0.001 0.000 0.278 2303 T C 1.318 176.016 174.700 -0.003 0.000 0.945 2303 T CA -0.209 61.889 62.100 -0.003 0.000 1.070 2303 T CB 0.674 69.540 68.868 -0.003 0.000 0.948 2303 T HN 0.273 nan 8.240 nan 0.000 0.617 2304 A N 4.327 127.146 122.820 -0.003 0.000 2.251 2304 A HA 0.222 4.543 4.320 0.001 0.000 0.209 2304 A C 0.920 178.502 177.584 -0.002 0.000 1.187 2304 A CA -0.077 51.959 52.037 -0.002 0.000 0.823 2304 A CB -0.273 18.726 19.000 -0.003 0.000 0.846 2304 A HN 0.876 nan 8.150 nan 0.000 0.486 2305 K N 0.000 120.399 120.400 -0.002 0.000 2.780 2305 K HA 0.000 4.321 4.320 0.001 0.000 0.191 2305 K CA 0.000 56.286 56.287 -0.002 0.000 0.838 2305 K CB 0.000 32.499 32.500 -0.001 0.000 1.064 2305 K HN 0.000 nan 8.250 nan 0.000 0.543