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 1oxw_1_C DATA FIRST_RESID 2023 DATA SEQUENCE AQLGEXVTVL SIDGGGIRGI IPATILEFLE GQLQEXDNNA DARLADYFDV DATA SEQUENCE IGGTSTGGLL TAXISTPNEN NRPFAAAKEI VPFYFEHGPQ IFNPSGQILG DATA SEQUENCE PKYDGKYLXQ VLQEKLGETR VHQALTEVVI SSFDIKTNKP VIFTKSNLAN DATA SEQUENCE SPELDAKXYD ISYSTAAAPT YFPPHYFVTN TSNGDEYEFN LVDGAVATVA DATA SEQUENCE DPALLSISVA TRLAQKDPAF ASIRSLNYKK XLLLSLGTGT TSEFDKTYTA DATA SEQUENCE KEAATWTAVH WXLVIQKXTD AASSYXTDYY LSTAFQALDS KNNYLRVQEN DATA SEQUENCE ALTGTTTEXD DASEANXELL VQVGENLLKK PVSEDNPETY EEALKRFAKL DATA SEQUENCE LSDRKKLRAN K 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 2023 A HA 0.000 nan 4.320 nan 0.000 0.244 2023 A C 0.000 177.578 177.584 -0.010 0.000 1.274 2023 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 2023 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 2024 Q N -0.004 119.793 119.800 -0.005 0.000 2.112 2024 Q HA -0.223 4.117 4.340 -0.000 0.000 0.206 2024 Q C 1.828 177.824 176.000 -0.008 0.000 0.987 2024 Q CA 1.856 57.658 55.803 -0.001 0.000 0.858 2024 Q CB -0.384 28.358 28.738 0.007 0.000 0.905 2024 Q HN 0.830 nan 8.270 nan 0.000 0.420 2025 L N 1.134 122.346 121.223 -0.017 0.000 2.013 2025 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 2025 L C 2.244 179.093 176.870 -0.035 0.000 1.073 2025 L CA 2.471 57.292 54.840 -0.032 0.000 0.753 2025 L CB -1.291 40.743 42.059 -0.041 0.000 0.890 2025 L HN 0.245 nan 8.230 nan 0.000 0.432 2026 G N -0.336 108.445 108.800 -0.031 0.000 2.469 2026 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.219 2026 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.219 2026 G C 0.738 175.615 174.900 -0.038 0.000 1.150 2026 G CA 0.868 45.947 45.100 -0.036 0.000 0.763 2026 G HN 0.647 nan 8.290 nan 0.000 0.561 2030 T N 1.577 116.234 114.554 0.172 0.000 2.824 2030 T HA 0.898 5.248 4.350 -0.000 0.000 0.280 2030 T C -0.744 174.240 174.700 0.473 0.000 0.995 2030 T CA -0.785 61.478 62.100 0.273 0.000 1.009 2030 T CB 1.867 70.795 68.868 0.100 0.000 0.955 2030 T HN 0.569 nan 8.240 nan 0.000 0.452 2031 V N 3.421 123.685 119.914 0.583 0.000 2.760 2031 V HA 0.656 4.776 4.120 -0.000 0.000 0.309 2031 V C -0.974 175.281 176.094 0.270 0.000 1.077 2031 V CA -0.979 61.579 62.300 0.429 0.000 0.910 2031 V CB 1.860 33.834 31.823 0.250 0.000 1.008 2031 V HN 0.988 nan 8.190 nan 0.000 0.424 2032 L N 3.346 124.459 121.223 -0.184 0.000 2.365 2032 L HA 0.916 5.256 4.340 -0.000 0.000 0.273 2032 L C -0.350 176.377 176.870 -0.239 0.000 1.000 2032 L CA 0.286 54.785 54.840 -0.570 0.000 0.819 2032 L CB 2.078 43.287 42.059 -1.416 0.000 1.284 2032 L HN 0.718 nan 8.230 nan 0.000 0.418 2033 S N 4.957 120.565 115.700 -0.153 0.000 2.538 2033 S HA 0.834 5.304 4.470 -0.000 0.000 0.288 2033 S C -1.109 173.453 174.600 -0.064 0.000 1.108 2033 S CA -0.502 57.660 58.200 -0.064 0.000 0.971 2033 S CB 0.874 64.081 63.200 0.011 0.000 1.041 2033 S HN 0.515 nan 8.310 nan 0.000 0.483 2034 I N 3.559 124.104 120.570 -0.041 0.000 2.447 2034 I HA 0.383 4.553 4.170 -0.000 0.000 0.287 2034 I C -0.626 175.492 176.117 0.001 0.000 1.023 2034 I CA -0.696 60.586 61.300 -0.029 0.000 1.083 2034 I CB 1.948 39.929 38.000 -0.031 0.000 1.245 2034 I HN 0.476 nan 8.210 nan 0.000 0.434 2035 D N 3.588 123.991 120.400 0.005 0.000 2.361 2035 D HA 0.348 4.988 4.640 -0.000 0.000 0.239 2035 D C 0.561 176.873 176.300 0.020 0.000 1.200 2035 D CA 0.186 54.197 54.000 0.018 0.000 0.915 2035 D CB 0.795 41.603 40.800 0.014 0.000 1.170 2035 D HN 0.652 nan 8.370 nan 0.000 0.444 2036 G N -1.871 106.944 108.800 0.026 0.000 2.543 2036 G HA2 0.495 4.455 3.960 -0.000 0.000 0.290 2036 G HA3 0.495 4.455 3.960 -0.000 0.000 0.290 2036 G C 0.458 175.362 174.900 0.007 0.000 1.310 2036 G CA -0.215 44.900 45.100 0.026 0.000 1.025 2036 G HN 0.677 nan 8.290 nan 0.000 0.502 2037 G N -2.461 106.338 108.800 -0.002 0.000 3.800 2037 G HA2 0.472 4.432 3.960 -0.000 0.000 0.221 2037 G HA3 0.472 4.432 3.960 -0.000 0.000 0.221 2037 G C 0.931 175.792 174.900 -0.066 0.000 0.893 2037 G CA 0.848 45.923 45.100 -0.041 0.000 0.986 2037 G HN 2.311 nan 8.290 nan 0.000 0.719 2038 G N 0.820 109.624 108.800 0.007 0.000 2.583 2038 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.292 2038 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.292 2038 G C 1.281 176.176 174.900 -0.009 0.000 1.203 2038 G CA 1.380 46.530 45.100 0.084 0.000 0.987 2038 G HN 1.291 nan 8.290 nan 0.000 0.554 2039 I N 0.117 120.577 120.570 -0.184 0.000 2.567 2039 I HA 0.053 4.223 4.170 -0.000 0.000 0.257 2039 I C 2.545 178.411 176.117 -0.419 0.000 1.184 2039 I CA 1.899 63.002 61.300 -0.328 0.000 1.451 2039 I CB -0.473 37.324 38.000 -0.337 0.000 1.089 2039 I HN 0.404 nan 8.210 nan 0.000 0.441 2040 R N 1.446 121.784 120.500 -0.270 0.000 2.341 2040 R HA -0.038 4.302 4.340 -0.000 0.000 0.213 2040 R C 2.243 178.426 176.300 -0.195 0.000 1.082 2040 R CA 0.857 56.834 56.100 -0.204 0.000 1.017 2040 R CB -0.622 29.598 30.300 -0.134 0.000 0.860 2040 R HN 0.618 nan 8.270 nan 0.000 0.473 2041 G N 0.850 109.491 108.800 -0.265 0.000 2.535 2041 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.218 2041 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.218 2041 G C 1.327 176.156 174.900 -0.119 0.000 1.122 2041 G CA 0.143 45.163 45.100 -0.132 0.000 0.769 2041 G HN 0.236 nan 8.290 nan 0.000 0.549 2042 I N 0.312 120.675 120.570 -0.345 0.000 2.361 2042 I HA -0.162 4.008 4.170 -0.000 0.000 0.251 2042 I C 2.557 178.691 176.117 0.027 0.000 1.133 2042 I CA 0.692 61.939 61.300 -0.088 0.000 1.413 2042 I CB -0.087 37.834 38.000 -0.132 0.000 1.073 2042 I HN 0.205 nan 8.210 nan 0.000 0.424 2043 I N 1.209 121.760 120.570 -0.031 0.000 2.090 2043 I HA -0.185 3.985 4.170 -0.000 0.000 0.236 2043 I C -0.323 175.792 176.117 -0.003 0.000 1.064 2043 I CA 1.461 62.750 61.300 -0.017 0.000 1.324 2043 I CB -1.891 36.080 38.000 -0.048 0.000 1.044 2043 I HN 0.156 nan 8.210 nan 0.000 0.399 2044 P HA -0.165 nan 4.420 nan 0.000 0.218 2044 P C 1.351 178.677 177.300 0.042 0.000 1.149 2044 P CA 1.921 65.017 63.100 -0.006 0.000 0.817 2044 P CB -0.044 31.650 31.700 -0.009 0.000 0.785 2045 A N -0.125 122.759 122.820 0.106 0.000 1.902 2045 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 2045 A C 2.364 180.024 177.584 0.127 0.000 1.181 2045 A CA 2.287 54.414 52.037 0.151 0.000 0.623 2045 A CB -1.892 17.282 19.000 0.290 0.000 0.818 2045 A HN 0.168 nan 8.150 nan 0.000 0.443 2046 T N 0.492 115.115 114.554 0.115 0.000 2.746 2046 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 2046 T C 1.783 176.543 174.700 0.100 0.000 1.039 2046 T CA 1.428 63.591 62.100 0.105 0.000 1.142 2046 T CB -0.277 68.640 68.868 0.081 0.000 0.866 2046 T HN 0.315 nan 8.240 nan 0.000 0.444 2047 I N 1.034 121.638 120.570 0.057 0.000 2.226 2047 I HA -0.058 4.112 4.170 -0.000 0.000 0.245 2047 I C 2.301 178.492 176.117 0.124 0.000 1.100 2047 I CA 1.235 62.568 61.300 0.054 0.000 1.374 2047 I CB -1.234 36.742 38.000 -0.041 0.000 1.057 2047 I HN 0.281 nan 8.210 nan 0.000 0.413 2048 L N 0.126 121.399 121.223 0.083 0.000 2.141 2048 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 2048 L C 2.535 179.462 176.870 0.095 0.000 1.094 2048 L CA 1.000 55.888 54.840 0.080 0.000 0.763 2048 L CB -0.402 41.686 42.059 0.048 0.000 0.908 2048 L HN 0.310 nan 8.230 nan 0.000 0.437 2049 E N 0.171 120.436 120.200 0.109 0.000 2.051 2049 E HA -0.276 4.074 4.350 -0.000 0.000 0.192 2049 E C 2.122 178.779 176.600 0.095 0.000 0.991 2049 E CA 1.394 57.850 56.400 0.093 0.000 0.799 2049 E CB -0.084 29.680 29.700 0.105 0.000 0.748 2049 E HN 0.397 nan 8.360 nan 0.000 0.449 2050 F N 1.067 121.027 119.950 0.016 0.000 2.134 2050 F HA -0.208 4.319 4.527 -0.000 0.000 0.299 2050 F C 2.044 177.850 175.800 0.009 0.000 1.097 2050 F CA 1.195 59.202 58.000 0.012 0.000 1.264 2050 F CB -0.267 38.740 39.000 0.011 0.000 1.001 2050 F HN 0.100 nan 8.300 nan 0.000 0.479 2051 L N 0.891 122.152 121.223 0.064 0.000 2.017 2051 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 2051 L C 2.351 179.145 176.870 -0.127 0.000 1.073 2051 L CA 2.240 57.060 54.840 -0.033 0.000 0.745 2051 L CB -1.186 40.942 42.059 0.116 0.000 0.894 2051 L HN 0.342 nan 8.230 nan 0.000 0.432 2052 E N -0.975 119.190 120.200 -0.057 0.000 2.110 2052 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 2052 E C 2.061 178.592 176.600 -0.113 0.000 0.988 2052 E CA 0.975 57.338 56.400 -0.061 0.000 0.804 2052 E CB -0.404 29.300 29.700 0.006 0.000 0.745 2052 E HN 0.659 nan 8.360 nan 0.000 0.458 2053 G N 0.576 109.287 108.800 -0.147 0.000 2.421 2053 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.216 2053 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.216 2053 G C 1.512 176.279 174.900 -0.222 0.000 1.171 2053 G CA 0.448 45.450 45.100 -0.164 0.000 0.775 2053 G HN 0.174 nan 8.290 nan 0.000 0.543 2054 Q N 0.110 119.696 119.800 -0.355 0.000 2.096 2054 Q HA 0.001 4.341 4.340 -0.000 0.000 0.204 2054 Q C 2.797 178.671 176.000 -0.211 0.000 0.982 2054 Q CA 0.860 56.469 55.803 -0.323 0.000 0.850 2054 Q CB -0.452 28.035 28.738 -0.417 0.000 0.901 2054 Q HN 0.512 nan 8.270 nan 0.000 0.422 2055 L N 0.356 121.440 121.223 -0.232 0.000 2.083 2055 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 2055 L C 2.549 179.343 176.870 -0.127 0.000 1.083 2055 L CA 1.147 55.828 54.840 -0.265 0.000 0.752 2055 L CB -0.358 41.388 42.059 -0.522 0.000 0.899 2055 L HN 0.262 nan 8.230 nan 0.000 0.433 2056 Q N -0.249 119.498 119.800 -0.089 0.000 2.079 2056 Q HA -0.151 4.189 4.340 -0.000 0.000 0.200 2056 Q C 1.113 177.093 176.000 -0.034 0.000 0.974 2056 Q CA 0.857 56.642 55.803 -0.029 0.000 0.840 2056 Q CB 0.047 28.767 28.738 -0.029 0.000 0.898 2056 Q HN 0.447 nan 8.270 nan 0.000 0.430 2060 N N 1.877 120.581 118.700 0.006 0.000 2.689 2060 N HA -0.247 4.493 4.740 -0.000 0.000 0.263 2060 N C -1.113 174.402 175.510 0.007 0.000 0.987 2060 N CA 0.694 53.745 53.050 0.001 0.000 0.782 2060 N CB -0.901 37.586 38.487 -0.000 0.000 0.903 2060 N HN 0.253 nan 8.380 nan 0.000 0.547 2061 N N -0.707 118.001 118.700 0.013 0.000 2.664 2061 N HA 0.452 5.192 4.740 -0.000 0.000 0.268 2061 N C 0.336 175.858 175.510 0.019 0.000 1.222 2061 N CA 0.172 53.233 53.050 0.019 0.000 0.805 2061 N CB 0.632 39.139 38.487 0.033 0.000 1.399 2061 N HN 0.213 nan 8.380 nan 0.000 0.547 2062 A N 1.759 124.583 122.820 0.007 0.000 2.178 2062 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 2062 A C 1.116 178.706 177.584 0.009 0.000 1.157 2062 A CA 1.172 53.210 52.037 0.002 0.000 0.689 2062 A CB -0.017 18.980 19.000 -0.005 0.000 0.787 2062 A HN 0.599 nan 8.150 nan 0.000 0.465 2063 D N -0.052 120.356 120.400 0.014 0.000 2.340 2063 D HA 0.248 4.888 4.640 -0.000 0.000 0.220 2063 D C 0.864 177.186 176.300 0.038 0.000 1.039 2063 D CA 0.713 54.722 54.000 0.015 0.000 0.866 2063 D CB -0.126 40.677 40.800 0.006 0.000 0.913 2063 D HN 0.426 nan 8.370 nan 0.000 0.523 2064 A N 1.271 124.131 122.820 0.067 0.000 2.511 2064 A HA 0.268 4.588 4.320 -0.000 0.000 0.242 2064 A C 0.528 178.206 177.584 0.157 0.000 1.069 2064 A CA 0.211 52.335 52.037 0.145 0.000 0.763 2064 A CB 0.411 19.542 19.000 0.219 0.000 1.001 2064 A HN -0.083 nan 8.150 nan 0.000 0.498 2065 R N 2.091 122.713 120.500 0.203 0.000 2.807 2065 R HA 0.390 4.730 4.340 -0.000 0.000 0.276 2065 R C 0.878 177.358 176.300 0.300 0.000 0.979 2065 R CA -0.855 55.352 56.100 0.179 0.000 0.928 2065 R CB 1.176 31.536 30.300 0.101 0.000 1.191 2065 R HN 0.752 nan 8.270 nan 0.000 0.471 2066 L N 1.313 122.695 121.223 0.266 0.000 2.021 2066 L HA -0.290 4.050 4.340 -0.000 0.000 0.215 2066 L C 2.262 179.397 176.870 0.442 0.000 1.074 2066 L CA 2.268 57.339 54.840 0.385 0.000 0.760 2066 L CB -0.516 41.719 42.059 0.292 0.000 0.889 2066 L HN 0.795 nan 8.230 nan 0.000 0.433 2067 A N -0.551 122.431 122.820 0.269 0.000 2.131 2067 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 2067 A C 1.740 179.403 177.584 0.132 0.000 1.158 2067 A CA 1.870 54.029 52.037 0.205 0.000 0.665 2067 A CB -0.481 18.591 19.000 0.120 0.000 0.795 2067 A HN 0.453 nan 8.150 nan 0.000 0.460 2068 D N -1.828 118.615 120.400 0.071 0.000 2.317 2068 D HA -0.038 4.602 4.640 -0.000 0.000 0.211 2068 D C 0.827 176.894 176.300 -0.387 0.000 0.966 2068 D CA 1.029 54.912 54.000 -0.195 0.000 0.876 2068 D CB -0.120 40.457 40.800 -0.372 0.000 0.927 2068 D HN 0.701 nan 8.370 nan 0.000 0.519 2069 Y N -1.213 119.079 120.300 -0.013 0.000 2.498 2069 Y HA 0.242 4.792 4.550 -0.000 0.000 0.259 2069 Y C 0.469 176.215 175.900 -0.257 0.000 1.086 2069 Y CA -0.348 57.653 58.100 -0.165 0.000 1.287 2069 Y CB 0.231 38.524 38.460 -0.277 0.000 1.146 2069 Y HN -0.227 nan 8.280 nan 0.000 0.523 2070 F N 1.383 121.456 119.950 0.205 0.000 2.415 2070 F HA 0.242 4.769 4.527 0.000 0.000 0.348 2070 F C 0.806 176.679 175.800 0.121 0.000 1.119 2070 F CA -0.824 57.278 58.000 0.170 0.000 1.069 2070 F CB 1.109 40.213 39.000 0.173 0.000 1.124 2070 F HN -0.024 nan 8.300 nan 0.000 0.472 2071 D N 1.816 122.393 120.400 0.295 0.000 2.224 2071 D HA -0.010 4.630 4.640 -0.000 0.000 0.205 2071 D C 0.243 176.741 176.300 0.330 0.000 0.965 2071 D CA 1.207 55.344 54.000 0.228 0.000 0.852 2071 D CB 0.349 41.247 40.800 0.163 0.000 0.947 2071 D HN 0.065 nan 8.370 nan 0.000 0.494 2072 V N 1.062 121.181 119.914 0.341 0.000 2.760 2072 V HA 0.400 4.520 4.120 -0.000 0.000 0.309 2072 V C -0.459 175.728 176.094 0.154 0.000 1.077 2072 V CA -0.757 61.687 62.300 0.240 0.000 0.910 2072 V CB 3.023 34.968 31.823 0.203 0.000 1.008 2072 V HN -0.120 nan 8.190 nan 0.000 0.424 2073 I N 3.106 123.722 120.570 0.077 0.000 2.468 2073 I HA 0.651 4.821 4.170 -0.000 0.000 0.285 2073 I C 0.358 176.472 176.117 -0.004 0.000 1.039 2073 I CA -0.337 60.954 61.300 -0.014 0.000 1.074 2073 I CB 2.084 40.073 38.000 -0.019 0.000 1.228 2073 I HN 0.760 nan 8.210 nan 0.000 0.436 2074 G N 3.488 112.276 108.800 -0.020 0.000 2.420 2074 G HA2 0.806 4.766 3.960 -0.000 0.000 0.331 2074 G HA3 0.806 4.766 3.960 -0.000 0.000 0.331 2074 G C -0.704 174.193 174.900 -0.004 0.000 1.168 2074 G CA -0.788 44.315 45.100 0.004 0.000 0.936 2074 G HN 0.784 nan 8.290 nan 0.000 0.479 2075 G N -0.606 108.202 108.800 0.014 0.000 2.718 2075 G HA2 0.602 4.562 3.960 -0.000 0.000 0.295 2075 G HA3 0.602 4.562 3.960 -0.000 0.000 0.295 2075 G C -1.172 173.748 174.900 0.034 0.000 1.421 2075 G CA -0.389 44.719 45.100 0.014 0.000 0.902 2075 G HN 0.651 nan 8.290 nan 0.000 0.501 2076 T N 0.597 115.172 114.554 0.036 0.000 2.886 2076 T HA 0.699 5.049 4.350 -0.000 0.000 0.292 2076 T C 0.512 175.235 174.700 0.040 0.000 1.012 2076 T CA 0.650 62.780 62.100 0.050 0.000 0.982 2076 T CB 1.611 70.515 68.868 0.059 0.000 1.018 2076 T HN 1.680 nan 8.240 nan 0.000 0.451 2077 S N 1.831 117.552 115.700 0.036 0.000 3.762 2077 S HA -0.281 4.189 4.470 -0.000 0.000 0.627 2077 S C 2.000 176.616 174.600 0.026 0.000 2.389 2077 S CA 2.355 60.569 58.200 0.024 0.000 3.978 2077 S CB -1.642 61.581 63.200 0.038 0.000 0.234 2077 S HN 1.261 nan 8.310 nan 0.000 0.960 2078 T N 0.263 114.858 114.554 0.068 0.000 2.946 2078 T HA 0.112 4.462 4.350 -0.000 0.000 0.271 2078 T C 1.847 176.608 174.700 0.101 0.000 1.104 2078 T CA 1.906 64.084 62.100 0.130 0.000 1.114 2078 T CB -1.258 67.758 68.868 0.248 0.000 0.867 2078 T HN 1.196 nan 8.240 nan 0.000 0.513 2079 G N 1.020 109.856 108.800 0.060 0.000 2.448 2079 G HA2 0.180 4.140 3.960 -0.000 0.000 0.218 2079 G HA3 0.180 4.140 3.960 -0.000 0.000 0.218 2079 G C 1.583 176.489 174.900 0.009 0.000 1.135 2079 G CA 0.415 45.536 45.100 0.036 0.000 0.784 2079 G HN 0.614 nan 8.290 nan 0.000 0.543 2080 G N 0.769 109.573 108.800 0.005 0.000 2.408 2080 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.215 2080 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.215 2080 G C 1.729 176.597 174.900 -0.054 0.000 1.156 2080 G CA 0.378 45.469 45.100 -0.015 0.000 0.793 2080 G HN 0.375 nan 8.290 nan 0.000 0.535 2081 L N -0.009 121.176 121.223 -0.063 0.000 2.017 2081 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 2081 L C 2.718 179.496 176.870 -0.154 0.000 1.073 2081 L CA 0.607 55.370 54.840 -0.127 0.000 0.745 2081 L CB -0.686 41.301 42.059 -0.120 0.000 0.894 2081 L HN 0.195 nan 8.230 nan 0.000 0.432 2082 L N 0.186 121.351 121.223 -0.096 0.000 2.012 2082 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 2082 L C 2.456 179.282 176.870 -0.074 0.000 1.073 2082 L CA 2.128 56.914 54.840 -0.090 0.000 0.748 2082 L CB -1.318 40.735 42.059 -0.011 0.000 0.891 2082 L HN 0.177 nan 8.230 nan 0.000 0.431 2083 T N 0.766 115.287 114.554 -0.056 0.000 2.720 2083 T HA -0.050 4.300 4.350 -0.000 0.000 0.268 2083 T C 1.158 175.826 174.700 -0.054 0.000 1.037 2083 T CA 0.900 62.973 62.100 -0.045 0.000 1.144 2083 T CB -0.487 68.362 68.868 -0.032 0.000 0.864 2083 T HN 0.595 nan 8.240 nan 0.000 0.444 2087 S N -0.335 115.382 115.700 0.028 0.000 2.604 2087 S HA 0.296 4.766 4.470 -0.000 0.000 0.235 2087 S C 0.699 175.302 174.600 0.006 0.000 1.043 2087 S CA 0.165 58.379 58.200 0.023 0.000 0.997 2087 S CB 0.156 63.364 63.200 0.012 0.000 0.956 2087 S HN 0.292 nan 8.310 nan 0.000 0.535 2088 T N 6.116 120.669 114.554 -0.002 0.000 2.814 2088 T HA 0.395 4.745 4.350 -0.000 0.000 0.297 2088 T C -2.753 171.966 174.700 0.032 0.000 0.956 2088 T CA -1.008 61.073 62.100 -0.032 0.000 1.123 2088 T CB 1.128 69.931 68.868 -0.108 0.000 0.902 2088 T HN 0.280 nan 8.240 nan 0.000 0.528 2089 P HA 0.125 nan 4.420 nan 0.000 0.276 2089 P C -0.279 177.059 177.300 0.064 0.000 1.230 2089 P CA -0.502 62.615 63.100 0.029 0.000 0.776 2089 P CB 0.697 32.393 31.700 -0.006 0.000 0.888 2090 N N 2.150 120.911 118.700 0.102 0.000 2.495 2090 N HA 0.071 4.811 4.740 -0.000 0.000 0.294 2090 N C 1.189 176.738 175.510 0.064 0.000 1.276 2090 N CA -0.759 52.371 53.050 0.133 0.000 0.973 2090 N CB 0.520 39.094 38.487 0.145 0.000 1.143 2090 N HN 0.342 nan 8.380 nan 0.000 0.589 2091 E N 0.547 120.783 120.200 0.060 0.000 2.171 2091 E HA -0.274 4.076 4.350 -0.000 0.000 0.197 2091 E C 0.450 177.063 176.600 0.021 0.000 0.997 2091 E CA 1.704 58.124 56.400 0.034 0.000 0.810 2091 E CB -0.878 28.840 29.700 0.031 0.000 0.738 2091 E HN 0.655 nan 8.360 nan 0.000 0.467 2092 N N 0.979 119.690 118.700 0.019 0.000 2.398 2092 N HA -0.023 4.717 4.740 -0.000 0.000 0.188 2092 N C -0.221 175.294 175.510 0.008 0.000 1.122 2092 N CA 0.467 53.523 53.050 0.009 0.000 0.866 2092 N CB 0.028 38.517 38.487 0.003 0.000 0.970 2092 N HN 0.163 nan 8.380 nan 0.000 0.462 2093 N N 0.719 119.428 118.700 0.014 0.000 2.780 2093 N HA -0.181 4.559 4.740 -0.000 0.000 0.248 2093 N C -1.330 174.186 175.510 0.011 0.000 1.102 2093 N CA 0.540 53.596 53.050 0.011 0.000 0.697 2093 N CB -0.441 38.048 38.487 0.004 0.000 1.028 2093 N HN 0.105 nan 8.380 nan 0.000 0.554 2094 R N -0.396 120.114 120.500 0.017 0.000 2.854 2094 R HA 0.566 4.906 4.340 -0.000 0.000 0.271 2094 R C -2.523 173.796 176.300 0.032 0.000 0.996 2094 R CA -2.034 54.075 56.100 0.015 0.000 0.961 2094 R CB 0.396 30.697 30.300 0.002 0.000 1.182 2094 R HN 0.011 nan 8.270 nan 0.000 0.479 2095 P HA -0.062 nan 4.420 nan 0.000 0.260 2095 P C 0.555 177.888 177.300 0.055 0.000 1.172 2095 P CA 0.321 63.453 63.100 0.054 0.000 0.760 2095 P CB 0.041 31.769 31.700 0.046 0.000 0.773 2096 F N 4.593 124.522 119.950 -0.035 0.000 2.192 2096 F HA -0.093 4.434 4.527 0.000 0.000 0.301 2096 F C 0.628 176.404 175.800 -0.039 0.000 1.079 2096 F CA 1.530 59.505 58.000 -0.042 0.000 1.303 2096 F CB 0.083 39.045 39.000 -0.062 0.000 1.024 2096 F HN 0.331 nan 8.300 nan 0.000 0.494 2097 A N -0.379 122.361 122.820 -0.133 0.000 2.449 2097 A HA 0.777 5.097 4.320 -0.000 0.000 0.302 2097 A C -0.771 176.764 177.584 -0.081 0.000 1.048 2097 A CA -0.358 51.552 52.037 -0.213 0.000 0.708 2097 A CB 0.640 19.567 19.000 -0.121 0.000 1.274 2097 A HN 0.477 nan 8.150 nan 0.000 0.410 2098 A N 0.742 123.512 122.820 -0.084 0.000 2.302 2098 A HA 0.632 4.952 4.320 -0.000 0.000 0.285 2098 A C 1.434 179.013 177.584 -0.009 0.000 1.105 2098 A CA 0.226 52.245 52.037 -0.030 0.000 0.816 2098 A CB 0.198 19.179 19.000 -0.032 0.000 1.067 2098 A HN 2.236 nan 8.150 nan 0.000 0.489 2099 A N 1.504 124.334 122.820 0.017 0.000 1.917 2099 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 2099 A C 1.973 179.580 177.584 0.039 0.000 1.182 2099 A CA 2.249 54.305 52.037 0.032 0.000 0.633 2099 A CB -0.620 18.407 19.000 0.046 0.000 0.819 2099 A HN 0.985 nan 8.150 nan 0.000 0.448 2100 K N 0.074 120.492 120.400 0.030 0.000 2.442 2100 K HA -0.154 4.166 4.320 -0.000 0.000 0.199 2100 K C 1.165 177.790 176.600 0.042 0.000 1.044 2100 K CA 1.691 58.000 56.287 0.037 0.000 0.941 2100 K CB -0.227 32.285 32.500 0.020 0.000 0.759 2100 K HN 0.642 nan 8.250 nan 0.000 0.472 2101 E N 0.524 120.740 120.200 0.027 0.000 2.385 2101 E HA -0.027 4.323 4.350 -0.000 0.000 0.194 2101 E C 1.734 178.384 176.600 0.083 0.000 1.013 2101 E CA 0.050 56.473 56.400 0.038 0.000 0.866 2101 E CB 0.131 29.823 29.700 -0.014 0.000 0.832 2101 E HN 0.279 nan 8.360 nan 0.000 0.500 2102 I N 0.906 121.515 120.570 0.064 0.000 2.142 2102 I HA -0.219 3.951 4.170 -0.000 0.000 0.240 2102 I C 2.408 178.636 176.117 0.184 0.000 1.078 2102 I CA 1.084 62.413 61.300 0.048 0.000 1.343 2102 I CB -1.210 36.809 38.000 0.033 0.000 1.046 2102 I HN -0.000 nan 8.210 nan 0.000 0.405 2103 V N 1.978 122.066 119.914 0.290 0.000 2.287 2103 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 2103 V C -0.155 176.227 176.094 0.479 0.000 1.053 2103 V CA 2.219 64.801 62.300 0.469 0.000 1.027 2103 V CB -1.976 30.067 31.823 0.366 0.000 0.646 2103 V HN 0.273 nan 8.190 nan 0.000 0.447 2104 P HA -0.188 nan 4.420 nan 0.000 0.218 2104 P C 1.702 179.167 177.300 0.275 0.000 1.148 2104 P CA 1.396 64.637 63.100 0.235 0.000 0.822 2104 P CB -0.151 31.621 31.700 0.120 0.000 0.784 2105 F N -0.942 119.076 119.950 0.113 0.000 2.134 2105 F HA -0.233 4.294 4.527 -0.000 0.000 0.299 2105 F C 2.080 177.966 175.800 0.144 0.000 1.097 2105 F CA 1.512 59.578 58.000 0.109 0.000 1.264 2105 F CB -0.893 38.077 39.000 -0.050 0.000 1.001 2105 F HN -0.117 nan 8.300 nan 0.000 0.479 2106 Y N -1.088 119.390 120.300 0.297 0.000 2.163 2106 Y HA -0.230 4.320 4.550 -0.000 0.000 0.288 2106 Y C 2.308 178.196 175.900 -0.020 0.000 1.136 2106 Y CA 1.460 59.626 58.100 0.109 0.000 1.147 2106 Y CB -0.704 37.857 38.460 0.169 0.000 0.987 2106 Y HN 0.016 nan 8.280 nan 0.000 0.509 2107 F N 0.208 120.257 119.950 0.166 0.000 2.216 2107 F HA -0.228 4.299 4.527 0.000 0.000 0.300 2107 F C 2.404 178.176 175.800 -0.047 0.000 1.085 2107 F CA 1.931 59.966 58.000 0.058 0.000 1.326 2107 F CB -0.281 38.750 39.000 0.051 0.000 1.027 2107 F HN 0.135 nan 8.300 nan 0.000 0.497 2108 E N -1.168 119.048 120.200 0.027 0.000 2.086 2108 E HA -0.132 4.218 4.350 -0.000 0.000 0.190 2108 E C 1.848 178.203 176.600 -0.409 0.000 0.975 2108 E CA 1.229 57.492 56.400 -0.228 0.000 0.813 2108 E CB -0.164 29.312 29.700 -0.373 0.000 0.768 2108 E HN 0.398 nan 8.360 nan 0.000 0.457 2109 H N -1.037 117.900 119.070 -0.221 0.000 2.654 2109 H HA 0.243 4.799 4.556 -0.000 0.000 0.264 2109 H C 1.861 177.092 175.328 -0.162 0.000 0.954 2109 H CA 0.628 56.551 56.048 -0.208 0.000 1.199 2109 H CB 0.400 29.884 29.762 -0.463 0.000 1.446 2109 H HN 0.343 nan 8.280 nan 0.000 0.516 2110 G N 2.829 111.614 108.800 -0.025 0.000 2.491 2110 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 2110 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 2110 G C -0.657 174.294 174.900 0.085 0.000 1.180 2110 G CA 0.530 45.696 45.100 0.109 0.000 0.774 2110 G HN 0.344 nan 8.290 nan 0.000 0.562 2111 P HA -0.062 nan 4.420 nan 0.000 0.219 2111 P C 1.698 178.941 177.300 -0.095 0.000 1.146 2111 P CA 1.246 64.334 63.100 -0.021 0.000 0.808 2111 P CB -0.011 31.659 31.700 -0.050 0.000 0.779 2112 Q N -1.516 118.151 119.800 -0.223 0.000 2.354 2112 Q HA 0.082 4.422 4.340 -0.000 0.000 0.203 2112 Q C 2.034 177.844 176.000 -0.315 0.000 0.933 2112 Q CA 0.589 56.099 55.803 -0.488 0.000 0.901 2112 Q CB -0.268 27.751 28.738 -1.198 0.000 1.007 2112 Q HN 0.277 nan 8.270 nan 0.000 0.495 2113 I N -0.387 120.109 120.570 -0.124 0.000 2.233 2113 I HA -0.155 4.015 4.170 -0.000 0.000 0.243 2113 I C 0.497 176.379 176.117 -0.392 0.000 1.093 2113 I CA 0.997 62.218 61.300 -0.133 0.000 1.380 2113 I CB 0.239 38.028 38.000 -0.352 0.000 1.067 2113 I HN 0.079 nan 8.210 nan 0.000 0.413 2114 F N 1.189 121.000 119.950 -0.231 0.000 2.759 2114 F HA 0.219 4.746 4.527 -0.000 0.000 0.322 2114 F C 0.384 175.962 175.800 -0.371 0.000 1.199 2114 F CA -0.526 57.034 58.000 -0.735 0.000 1.272 2114 F CB -0.395 38.309 39.000 -0.494 0.000 1.467 2114 F HN -0.025 nan 8.300 nan 0.000 0.561 2115 N N 2.638 121.339 118.700 0.002 0.000 2.501 2115 N HA 0.290 5.030 4.740 -0.000 0.000 0.245 2115 N C -2.847 172.919 175.510 0.427 0.000 0.974 2115 N CA -2.574 50.586 53.050 0.183 0.000 0.941 2115 N CB 0.967 39.483 38.487 0.048 0.000 1.122 2115 N HN -0.101 nan 8.380 nan 0.000 0.507 2116 P HA -0.031 nan 4.420 nan 0.000 0.258 2116 P C 0.630 177.986 177.300 0.092 0.000 1.172 2116 P CA 0.209 63.414 63.100 0.176 0.000 0.762 2116 P CB 0.514 32.249 31.700 0.059 0.000 0.764 2117 S N 3.270 118.996 115.700 0.044 0.000 2.406 2117 S HA 0.022 4.492 4.470 -0.000 0.000 0.228 2117 S C 1.671 176.272 174.600 0.002 0.000 1.020 2117 S CA 0.948 59.174 58.200 0.042 0.000 0.965 2117 S CB -1.154 62.075 63.200 0.048 0.000 0.798 2117 S HN 0.696 nan 8.310 nan 0.000 0.488 2118 G N 0.440 109.216 108.800 -0.040 0.000 2.143 2118 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.249 2118 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.249 2118 G C -0.113 174.765 174.900 -0.038 0.000 0.981 2118 G CA 0.171 45.247 45.100 -0.040 0.000 0.665 2118 G HN 0.568 nan 8.290 nan 0.000 0.528 2119 Q N -0.321 119.455 119.800 -0.039 0.000 2.332 2119 Q HA 0.406 4.746 4.340 -0.000 0.000 0.263 2119 Q C 1.928 177.902 176.000 -0.043 0.000 0.979 2119 Q CA -0.104 55.682 55.803 -0.028 0.000 0.885 2119 Q CB 0.767 29.496 28.738 -0.016 0.000 1.218 2119 Q HN 0.463 nan 8.270 nan 0.000 0.405 2120 I N 1.573 122.124 120.570 -0.032 0.000 2.113 2120 I HA -0.241 3.929 4.170 -0.000 0.000 0.238 2120 I C 0.951 177.043 176.117 -0.040 0.000 1.070 2120 I CA 1.181 62.459 61.300 -0.038 0.000 1.332 2120 I CB -0.017 37.968 38.000 -0.027 0.000 1.044 2120 I HN 0.382 nan 8.210 nan 0.000 0.402 2121 L N -0.143 121.064 121.223 -0.027 0.000 2.399 2121 L HA 0.585 4.925 4.340 -0.000 0.000 0.265 2121 L C 0.447 177.305 176.870 -0.019 0.000 1.089 2121 L CA -0.373 54.454 54.840 -0.022 0.000 0.802 2121 L CB 0.921 42.974 42.059 -0.009 0.000 1.180 2121 L HN 0.420 nan 8.230 nan 0.000 0.454 2122 G N 1.217 110.008 108.800 -0.015 0.000 2.710 2122 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.668 2122 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.668 2122 G C -2.819 172.058 174.900 -0.037 0.000 1.320 2122 G CA -0.858 44.241 45.100 -0.002 0.000 0.860 2122 G HN 0.527 nan 8.290 nan 0.000 0.538 2123 P HA 0.283 nan 4.420 nan 0.000 0.273 2123 P C 0.817 177.993 177.300 -0.207 0.000 1.250 2123 P CA -0.250 62.796 63.100 -0.091 0.000 0.793 2123 P CB 0.759 32.466 31.700 0.011 0.000 1.011 2124 K N -0.586 119.572 120.400 -0.402 0.000 2.097 2124 K HA -0.101 4.219 4.320 -0.000 0.000 0.206 2124 K C 0.082 176.183 176.600 -0.832 0.000 1.049 2124 K CA 1.398 57.265 56.287 -0.700 0.000 0.933 2124 K CB -0.180 31.694 32.500 -1.043 0.000 0.717 2124 K HN 0.449 nan 8.250 nan 0.000 0.442 2125 Y N -0.304 119.919 120.300 -0.129 0.000 2.462 2125 Y HA 0.103 4.653 4.550 0.000 0.000 0.346 2125 Y C 0.381 176.333 175.900 0.086 0.000 0.976 2125 Y CA -1.230 56.841 58.100 -0.048 0.000 1.044 2125 Y CB 1.575 39.934 38.460 -0.170 0.000 1.230 2125 Y HN 0.064 nan 8.280 nan 0.000 0.455 2126 D N -0.246 120.330 120.400 0.294 0.000 2.347 2126 D HA 0.084 4.724 4.640 -0.000 0.000 0.215 2126 D C 1.723 178.259 176.300 0.393 0.000 0.976 2126 D CA 0.850 55.014 54.000 0.274 0.000 0.884 2126 D CB 0.022 40.933 40.800 0.184 0.000 0.915 2126 D HN 0.885 nan 8.370 nan 0.000 0.526 2127 G N 0.421 109.552 108.800 0.553 0.000 2.168 2127 G HA2 -0.453 3.507 3.960 -0.000 0.000 0.263 2127 G HA3 -0.453 3.507 3.960 -0.000 0.000 0.263 2127 G C 1.087 176.172 174.900 0.309 0.000 0.977 2127 G CA 0.745 46.209 45.100 0.607 0.000 0.659 2127 G HN 0.450 nan 8.290 nan 0.000 0.533 2128 K N -1.228 119.305 120.400 0.221 0.000 2.026 2128 K HA -0.067 4.253 4.320 -0.000 0.000 0.208 2128 K C 2.033 178.679 176.600 0.076 0.000 1.048 2128 K CA 1.664 58.014 56.287 0.105 0.000 0.929 2128 K CB -0.243 32.323 32.500 0.111 0.000 0.713 2128 K HN 0.439 nan 8.250 nan 0.000 0.439 2129 Y N 1.731 122.054 120.300 0.038 0.000 2.181 2129 Y HA -0.151 4.399 4.550 -0.000 0.000 0.288 2129 Y C 1.031 176.905 175.900 -0.042 0.000 1.146 2129 Y CA 0.602 58.700 58.100 -0.002 0.000 1.164 2129 Y CB -0.237 38.229 38.460 0.011 0.000 0.982 2129 Y HN -0.008 nan 8.280 nan 0.000 0.515 2133 V N 2.635 122.220 119.914 -0.548 0.000 2.407 2133 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 2133 V C 2.317 178.228 176.094 -0.305 0.000 1.055 2133 V CA 1.867 63.880 62.300 -0.478 0.000 1.049 2133 V CB -0.629 30.817 31.823 -0.628 0.000 0.662 2133 V HN 0.340 nan 8.190 nan 0.000 0.455 2134 L N -0.641 120.419 121.223 -0.271 0.000 2.093 2134 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 2134 L C 2.693 179.419 176.870 -0.241 0.000 1.085 2134 L CA 1.563 56.273 54.840 -0.217 0.000 0.755 2134 L CB -0.493 41.471 42.059 -0.160 0.000 0.904 2134 L HN 0.373 nan 8.230 nan 0.000 0.435 2135 Q N -0.319 119.265 119.800 -0.360 0.000 2.083 2135 Q HA -0.208 4.131 4.340 -0.000 0.000 0.198 2135 Q C 2.094 177.933 176.000 -0.268 0.000 0.969 2135 Q CA 1.230 56.763 55.803 -0.451 0.000 0.838 2135 Q CB 0.056 28.407 28.738 -0.646 0.000 0.900 2135 Q HN 0.432 nan 8.270 nan 0.000 0.436 2136 E N 0.613 120.665 120.200 -0.247 0.000 2.058 2136 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 2136 E C 1.725 178.233 176.600 -0.153 0.000 0.997 2136 E CA 1.386 57.684 56.400 -0.170 0.000 0.801 2136 E CB 0.199 29.804 29.700 -0.158 0.000 0.746 2136 E HN 0.105 nan 8.360 nan 0.000 0.450 2137 K N -0.635 119.634 120.400 -0.217 0.000 2.166 2137 K HA 0.003 4.323 4.320 -0.000 0.000 0.201 2137 K C 1.627 177.836 176.600 -0.652 0.000 1.052 2137 K CA 0.321 56.384 56.287 -0.373 0.000 0.969 2137 K CB 0.203 32.506 32.500 -0.328 0.000 0.761 2137 K HN -0.018 nan 8.250 nan 0.000 0.459 2138 L N -0.122 120.843 121.223 -0.430 0.000 2.270 2138 L HA 0.162 4.502 4.340 -0.000 0.000 0.210 2138 L C 1.367 178.118 176.870 -0.198 0.000 1.104 2138 L CA 1.473 56.097 54.840 -0.360 0.000 0.804 2138 L CB -1.091 40.844 42.059 -0.206 0.000 0.937 2138 L HN 0.411 nan 8.230 nan 0.000 0.450 2139 G N 0.037 108.771 108.800 -0.110 0.000 2.583 2139 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.292 2139 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.292 2139 G C 0.681 175.634 174.900 0.087 0.000 1.203 2139 G CA 0.356 45.436 45.100 -0.033 0.000 0.987 2139 G HN 0.262 nan 8.290 nan 0.000 0.554 2140 E N 1.283 121.491 120.200 0.014 0.000 2.501 2140 E HA 0.235 4.585 4.350 -0.000 0.000 0.200 2140 E C 0.853 177.390 176.600 -0.105 0.000 1.016 2140 E CA 0.386 56.782 56.400 -0.008 0.000 0.921 2140 E CB 0.214 29.919 29.700 0.008 0.000 1.034 2140 E HN 0.465 nan 8.360 nan 0.000 0.468 2141 T N 1.895 116.370 114.554 -0.133 0.000 2.946 2141 T HA 0.125 4.475 4.350 -0.000 0.000 0.311 2141 T C 0.549 175.108 174.700 -0.234 0.000 1.063 2141 T CA 0.451 62.446 62.100 -0.176 0.000 1.139 2141 T CB 0.833 69.591 68.868 -0.184 0.000 0.994 2141 T HN -0.015 nan 8.240 nan 0.000 0.547 2142 R N 1.304 121.658 120.500 -0.243 0.000 2.778 2142 R HA 0.410 4.750 4.340 -0.000 0.000 0.277 2142 R C 1.265 177.410 176.300 -0.258 0.000 0.977 2142 R CA -0.805 55.160 56.100 -0.225 0.000 0.950 2142 R CB 1.327 31.582 30.300 -0.074 0.000 1.165 2142 R HN 0.405 nan 8.270 nan 0.000 0.474 2143 V N 3.397 123.211 119.914 -0.168 0.000 2.453 2143 V HA -0.279 3.841 4.120 -0.000 0.000 0.252 2143 V C 2.099 178.152 176.094 -0.068 0.000 1.068 2143 V CA 2.414 64.650 62.300 -0.107 0.000 1.070 2143 V CB -0.758 31.044 31.823 -0.036 0.000 0.664 2143 V HN 0.838 nan 8.190 nan 0.000 0.461 2144 H N -0.590 118.467 119.070 -0.023 0.000 2.545 2144 H HA -0.108 4.448 4.556 -0.000 0.000 0.282 2144 H C 1.693 177.017 175.328 -0.007 0.000 1.020 2144 H CA 1.384 57.429 56.048 -0.005 0.000 1.243 2144 H CB -0.132 29.627 29.762 -0.005 0.000 1.377 2144 H HN 0.585 nan 8.280 nan 0.000 0.581 2145 Q N 0.770 120.236 119.800 -0.557 0.000 2.360 2145 Q HA 0.313 4.653 4.340 -0.000 0.000 0.202 2145 Q C 0.817 176.727 176.000 -0.149 0.000 0.915 2145 Q CA 0.096 55.678 55.803 -0.368 0.000 0.943 2145 Q CB 0.613 29.098 28.738 -0.422 0.000 1.064 2145 Q HN 0.460 nan 8.270 nan 0.000 0.511 2146 A N 0.818 123.575 122.820 -0.106 0.000 2.561 2146 A HA -0.033 4.287 4.320 -0.000 0.000 0.234 2146 A C 0.847 178.426 177.584 -0.008 0.000 1.055 2146 A CA 0.147 52.157 52.037 -0.045 0.000 0.756 2146 A CB 0.190 19.178 19.000 -0.020 0.000 0.986 2146 A HN 0.428 nan 8.150 nan 0.000 0.505 2147 L N 1.390 122.617 121.223 0.007 0.000 2.465 2147 L HA 0.023 4.363 4.340 -0.000 0.000 0.224 2147 L C 1.078 177.974 176.870 0.043 0.000 1.145 2147 L CA 1.195 56.048 54.840 0.022 0.000 0.834 2147 L CB -0.798 41.276 42.059 0.024 0.000 0.944 2147 L HN 0.967 nan 8.230 nan 0.000 0.451 2148 T N -5.096 109.495 114.554 0.061 0.000 2.754 2148 T HA 0.329 4.679 4.350 -0.000 0.000 0.296 2148 T C -0.753 174.011 174.700 0.107 0.000 1.205 2148 T CA -0.896 61.261 62.100 0.096 0.000 1.009 2148 T CB 2.043 70.989 68.868 0.130 0.000 1.368 2148 T HN -0.227 nan 8.240 nan 0.000 0.509 2149 E N 1.202 121.496 120.200 0.156 0.000 2.299 2149 E HA 0.440 4.790 4.350 -0.000 0.000 0.272 2149 E C -0.230 176.431 176.600 0.102 0.000 1.043 2149 E CA -0.511 55.975 56.400 0.143 0.000 0.895 2149 E CB 0.188 30.013 29.700 0.207 0.000 1.011 2149 E HN 0.765 nan 8.360 nan 0.000 0.432 2150 V N 1.951 121.906 119.914 0.069 0.000 2.769 2150 V HA 0.787 4.907 4.120 -0.000 0.000 0.312 2150 V C -0.531 175.595 176.094 0.052 0.000 1.058 2150 V CA -0.955 61.376 62.300 0.051 0.000 0.952 2150 V CB 2.072 33.913 31.823 0.031 0.000 1.019 2150 V HN 0.348 nan 8.190 nan 0.000 0.445 2151 V N 4.687 124.629 119.914 0.047 0.000 2.462 2151 V HA 0.531 4.651 4.120 -0.000 0.000 0.288 2151 V C -0.506 175.629 176.094 0.068 0.000 1.020 2151 V CA -0.107 62.226 62.300 0.055 0.000 0.857 2151 V CB 1.204 33.047 31.823 0.034 0.000 1.013 2151 V HN 0.828 nan 8.190 nan 0.000 0.431 2152 I N 4.116 124.753 120.570 0.112 0.000 2.447 2152 I HA 0.528 4.698 4.170 -0.000 0.000 0.287 2152 I C 0.375 176.608 176.117 0.194 0.000 1.023 2152 I CA -0.357 61.020 61.300 0.129 0.000 1.083 2152 I CB 2.377 40.441 38.000 0.108 0.000 1.245 2152 I HN 0.666 nan 8.210 nan 0.000 0.434 2153 S N 4.391 120.183 115.700 0.153 0.000 2.654 2153 S HA 0.873 5.343 4.470 -0.000 0.000 0.283 2153 S C -0.172 174.553 174.600 0.209 0.000 1.180 2153 S CA -0.410 57.886 58.200 0.161 0.000 1.021 2153 S CB 1.930 65.204 63.200 0.124 0.000 1.018 2153 S HN 0.799 nan 8.310 nan 0.000 0.532 2154 S N 0.523 116.357 115.700 0.225 0.000 2.636 2154 S HA 0.681 5.151 4.470 -0.000 0.000 0.266 2154 S C -1.673 173.117 174.600 0.316 0.000 1.147 2154 S CA -0.996 57.372 58.200 0.280 0.000 0.815 2154 S CB 0.683 64.100 63.200 0.361 0.000 1.119 2154 S HN 1.111 nan 8.310 nan 0.000 0.470 2155 F N 1.746 121.797 119.950 0.169 0.000 2.539 2155 F HA 0.545 5.072 4.527 -0.000 0.000 0.318 2155 F C -0.982 174.918 175.800 0.167 0.000 1.135 2155 F CA -0.529 57.555 58.000 0.140 0.000 0.915 2155 F CB 1.730 40.800 39.000 0.117 0.000 1.176 2155 F HN 0.780 nan 8.300 nan 0.000 0.440 2156 D N 6.864 126.975 120.400 -0.482 0.000 2.347 2156 D HA 0.148 4.788 4.640 -0.000 0.000 0.235 2156 D C 1.365 177.386 176.300 -0.465 0.000 1.149 2156 D CA -0.145 53.682 54.000 -0.288 0.000 0.850 2156 D CB 0.814 41.489 40.800 -0.207 0.000 1.061 2156 D HN 0.717 nan 8.370 nan 0.000 0.487 2157 I N 1.269 121.802 120.570 -0.061 0.000 3.176 2157 I HA -0.042 4.128 4.170 -0.000 0.000 0.275 2157 I C 1.790 177.916 176.117 0.015 0.000 1.298 2157 I CA 0.411 61.762 61.300 0.085 0.000 1.445 2157 I CB 0.081 38.211 38.000 0.216 0.000 1.075 2157 I HN 0.155 nan 8.210 nan 0.000 0.482 2158 K N 1.957 122.326 120.400 -0.051 0.000 2.141 2158 K HA -0.046 4.274 4.320 -0.000 0.000 0.202 2158 K C 2.086 178.627 176.600 -0.099 0.000 1.045 2158 K CA 1.560 57.815 56.287 -0.055 0.000 0.971 2158 K CB -0.016 32.450 32.500 -0.056 0.000 0.795 2158 K HN 0.441 nan 8.250 nan 0.000 0.459 2159 T N -1.518 112.938 114.554 -0.163 0.000 3.088 2159 T HA -0.008 4.342 4.350 -0.000 0.000 0.259 2159 T C 0.578 175.181 174.700 -0.162 0.000 1.122 2159 T CA 0.663 62.664 62.100 -0.164 0.000 1.095 2159 T CB -0.306 68.446 68.868 -0.194 0.000 0.930 2159 T HN 0.413 nan 8.240 nan 0.000 0.508 2160 N N 0.784 119.346 118.700 -0.230 0.000 2.747 2160 N HA -0.154 4.586 4.740 -0.000 0.000 0.249 2160 N C -1.015 174.365 175.510 -0.216 0.000 1.107 2160 N CA 0.837 53.792 53.050 -0.158 0.000 0.707 2160 N CB -1.206 37.307 38.487 0.044 0.000 1.054 2160 N HN 0.712 nan 8.380 nan 0.000 0.555 2161 K N -0.767 119.322 120.400 -0.518 0.000 2.477 2161 K HA 0.531 4.851 4.320 -0.000 0.000 0.255 2161 K C -2.816 173.586 176.600 -0.330 0.000 0.952 2161 K CA -1.924 54.213 56.287 -0.250 0.000 0.826 2161 K CB 2.088 34.520 32.500 -0.114 0.000 1.331 2161 K HN -0.128 nan 8.250 nan 0.000 0.437 2162 P HA 0.123 nan 4.420 nan 0.000 0.271 2162 P C -0.935 176.370 177.300 0.008 0.000 1.218 2162 P CA -0.465 62.725 63.100 0.149 0.000 0.780 2162 P CB 0.621 32.446 31.700 0.208 0.000 0.901 2163 V N 4.606 124.523 119.914 0.005 0.000 2.409 2163 V HA 0.271 4.391 4.120 -0.000 0.000 0.290 2163 V C -0.203 175.765 176.094 -0.209 0.000 1.017 2163 V CA -0.504 61.724 62.300 -0.120 0.000 0.841 2163 V CB 1.330 33.104 31.823 -0.082 0.000 1.003 2163 V HN 0.353 nan 8.190 nan 0.000 0.426 2164 I N 5.234 125.672 120.570 -0.221 0.000 2.307 2164 I HA 0.406 4.576 4.170 -0.000 0.000 0.289 2164 I C -0.195 175.782 176.117 -0.233 0.000 1.021 2164 I CA -0.566 60.650 61.300 -0.141 0.000 1.224 2164 I CB 0.690 38.665 38.000 -0.041 0.000 1.376 2164 I HN 0.369 nan 8.210 nan 0.000 0.470 2165 F N 4.431 124.410 119.950 0.048 0.000 2.445 2165 F HA 0.335 4.862 4.527 -0.000 0.000 0.359 2165 F C 1.118 176.925 175.800 0.011 0.000 1.101 2165 F CA 0.308 58.322 58.000 0.024 0.000 1.177 2165 F CB 1.091 40.085 39.000 -0.009 0.000 1.110 2165 F HN 0.357 nan 8.300 nan 0.000 0.522 2166 T N 2.921 117.570 114.554 0.159 0.000 2.916 2166 T HA 0.192 4.542 4.350 -0.000 0.000 0.292 2166 T C 0.799 175.557 174.700 0.096 0.000 1.064 2166 T CA -0.746 61.410 62.100 0.093 0.000 1.011 2166 T CB 2.030 70.921 68.868 0.038 0.000 1.152 2166 T HN 0.596 nan 8.240 nan 0.000 0.510 2167 K N 0.985 121.431 120.400 0.076 0.000 2.067 2167 K HA 0.145 4.465 4.320 -0.000 0.000 0.203 2167 K C 0.858 177.509 176.600 0.085 0.000 1.048 2167 K CA 0.611 56.947 56.287 0.081 0.000 0.954 2167 K CB -0.056 32.488 32.500 0.073 0.000 0.737 2167 K HN 0.512 nan 8.250 nan 0.000 0.444 2168 S N 0.964 116.705 115.700 0.069 0.000 2.641 2168 S HA 0.112 4.582 4.470 -0.000 0.000 0.261 2168 S C 0.449 175.071 174.600 0.037 0.000 1.257 2168 S CA -0.328 57.907 58.200 0.059 0.000 0.983 2168 S CB 0.797 64.032 63.200 0.058 0.000 0.990 2168 S HN 0.411 nan 8.310 nan 0.000 0.572 2169 N N -0.926 117.790 118.700 0.026 0.000 2.886 2169 N HA -0.159 4.581 4.740 -0.000 0.000 0.204 2169 N C 0.767 176.279 175.510 0.003 0.000 0.998 2169 N CA 1.382 54.438 53.050 0.009 0.000 1.114 2169 N CB -1.723 36.764 38.487 -0.000 0.000 0.964 2169 N HN 0.509 nan 8.380 nan 0.000 0.581 2170 L N 0.408 121.640 121.223 0.014 0.000 2.450 2170 L HA -0.111 4.229 4.340 -0.000 0.000 0.225 2170 L C 2.359 179.217 176.870 -0.021 0.000 1.145 2170 L CA 1.241 56.083 54.840 0.003 0.000 0.801 2170 L CB -0.523 41.553 42.059 0.027 0.000 0.924 2170 L HN 0.365 nan 8.230 nan 0.000 0.447 2171 A N 2.251 125.060 122.820 -0.018 0.000 1.881 2171 A HA -0.332 3.988 4.320 -0.000 0.000 0.219 2171 A C 2.043 179.608 177.584 -0.032 0.000 1.215 2171 A CA 2.746 54.766 52.037 -0.028 0.000 0.648 2171 A CB -0.871 18.119 19.000 -0.016 0.000 0.832 2171 A HN 0.719 nan 8.150 nan 0.000 0.455 2172 N N -0.350 118.333 118.700 -0.029 0.000 2.290 2172 N HA -0.024 4.716 4.740 -0.000 0.000 0.179 2172 N C 0.541 176.023 175.510 -0.046 0.000 1.016 2172 N CA 1.190 54.220 53.050 -0.033 0.000 0.871 2172 N CB -0.374 38.096 38.487 -0.027 0.000 0.987 2172 N HN 0.339 nan 8.380 nan 0.000 0.431 2173 S N 0.040 115.709 115.700 -0.053 0.000 2.790 2173 S HA 0.361 4.831 4.470 -0.000 0.000 0.202 2173 S C -2.075 172.477 174.600 -0.080 0.000 1.383 2173 S CA -1.393 56.757 58.200 -0.083 0.000 1.026 2173 S CB 1.176 64.317 63.200 -0.097 0.000 1.253 2173 S HN 0.172 nan 8.310 nan 0.000 0.489 2174 P HA -0.082 nan 4.420 nan 0.000 0.231 2174 P C 0.463 177.735 177.300 -0.048 0.000 1.158 2174 P CA 0.879 63.948 63.100 -0.052 0.000 0.763 2174 P CB 0.076 31.745 31.700 -0.051 0.000 0.805 2175 E N 0.051 120.168 120.200 -0.139 0.000 2.274 2175 E HA -0.039 4.311 4.350 -0.000 0.000 0.194 2175 E C 1.896 178.510 176.600 0.024 0.000 0.996 2175 E CA 0.708 56.984 56.400 -0.206 0.000 0.840 2175 E CB -0.893 28.306 29.700 -0.834 0.000 0.772 2175 E HN 0.308 nan 8.360 nan 0.000 0.491 2176 L N 0.636 121.884 121.223 0.041 0.000 2.558 2176 L HA 0.085 4.425 4.340 -0.000 0.000 0.225 2176 L C 0.758 177.783 176.870 0.257 0.000 1.128 2176 L CA 0.125 55.105 54.840 0.233 0.000 0.868 2176 L CB 0.004 42.127 42.059 0.107 0.000 1.006 2176 L HN 0.027 nan 8.230 nan 0.000 0.454 2177 D N 1.897 122.384 120.400 0.144 0.000 2.688 2177 D HA 0.245 4.885 4.640 -0.000 0.000 0.228 2177 D C 0.431 176.778 176.300 0.079 0.000 1.116 2177 D CA -0.027 54.047 54.000 0.123 0.000 1.023 2177 D CB 0.200 41.061 40.800 0.101 0.000 1.100 2177 D HN 0.165 nan 8.370 nan 0.000 0.487 2178 A N 2.367 125.205 122.820 0.030 0.000 2.272 2178 A HA 0.382 4.702 4.320 -0.000 0.000 0.275 2178 A C 0.832 178.241 177.584 -0.292 0.000 1.096 2178 A CA -0.493 51.470 52.037 -0.125 0.000 0.822 2178 A CB 0.678 19.513 19.000 -0.274 0.000 1.088 2178 A HN 0.383 nan 8.150 nan 0.000 0.495 2182 D N 1.816 121.912 120.400 -0.508 0.000 2.137 2182 D HA 0.038 4.678 4.640 -0.000 0.000 0.202 2182 D C 2.047 177.934 176.300 -0.688 0.000 0.970 2182 D CA 1.855 55.445 54.000 -0.684 0.000 0.837 2182 D CB 0.211 40.136 40.800 -1.458 0.000 0.981 2182 D HN 0.454 nan 8.370 nan 0.000 0.475 2183 I N 0.830 120.946 120.570 -0.758 0.000 2.226 2183 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 2183 I C 2.339 178.272 176.117 -0.306 0.000 1.100 2183 I CA 0.828 61.727 61.300 -0.669 0.000 1.374 2183 I CB -0.049 37.506 38.000 -0.742 0.000 1.057 2183 I HN -0.113 nan 8.210 nan 0.000 0.413 2184 S N -0.370 115.174 115.700 -0.259 0.000 2.383 2184 S HA -0.214 4.256 4.470 -0.000 0.000 0.227 2184 S C 1.916 176.421 174.600 -0.158 0.000 1.026 2184 S CA 1.152 59.247 58.200 -0.175 0.000 0.981 2184 S CB -0.370 62.726 63.200 -0.173 0.000 0.818 2184 S HN 0.456 nan 8.310 nan 0.000 0.472 2185 Y N 2.289 122.427 120.300 -0.270 0.000 2.163 2185 Y HA -0.130 4.420 4.550 -0.000 0.000 0.288 2185 Y C 2.537 178.320 175.900 -0.195 0.000 1.136 2185 Y CA 1.511 59.428 58.100 -0.306 0.000 1.147 2185 Y CB -0.552 37.631 38.460 -0.461 0.000 0.987 2185 Y HN 0.145 nan 8.280 nan 0.000 0.509 2186 S N -0.685 115.054 115.700 0.066 0.000 2.359 2186 S HA -0.285 4.185 4.470 -0.000 0.000 0.223 2186 S C 2.051 176.696 174.600 0.074 0.000 1.039 2186 S CA 1.940 60.251 58.200 0.184 0.000 1.042 2186 S CB -0.980 62.394 63.200 0.290 0.000 0.915 2186 S HN 0.630 nan 8.310 nan 0.000 0.439 2187 T N 0.896 115.471 114.554 0.036 0.000 2.897 2187 T HA -0.027 4.323 4.350 -0.000 0.000 0.271 2187 T C 1.238 175.932 174.700 -0.010 0.000 1.084 2187 T CA 1.298 63.427 62.100 0.049 0.000 1.123 2187 T CB -0.268 68.623 68.868 0.037 0.000 0.865 2187 T HN 0.383 nan 8.240 nan 0.000 0.496 2188 A N -0.315 122.423 122.820 -0.138 0.000 2.390 2188 A HA 0.734 5.054 4.320 -0.000 0.000 0.232 2188 A C 1.223 178.673 177.584 -0.223 0.000 1.233 2188 A CA 0.325 52.255 52.037 -0.178 0.000 0.907 2188 A CB 0.071 18.905 19.000 -0.277 0.000 0.967 2188 A HN 0.464 nan 8.150 nan 0.000 0.512 2189 A N 1.125 123.818 122.820 -0.211 0.000 2.990 2189 A HA 0.584 4.904 4.320 -0.000 0.000 0.282 2189 A C 0.757 178.479 177.584 0.230 0.000 1.688 2189 A CA 0.334 52.340 52.037 -0.052 0.000 1.391 2189 A CB -1.175 17.834 19.000 0.015 0.000 1.112 2189 A HN 0.968 nan 8.150 nan 0.000 0.588 2190 A N 3.784 126.811 122.820 0.346 0.000 2.454 2190 A HA 0.565 4.885 4.320 -0.000 0.000 0.260 2190 A C -2.380 175.448 177.584 0.408 0.000 1.106 2190 A CA -1.365 50.868 52.037 0.327 0.000 0.780 2190 A CB -0.248 18.884 19.000 0.218 0.000 1.044 2190 A HN 0.515 nan 8.150 nan 0.000 0.498 2191 P HA 0.017 nan 4.420 nan 0.000 0.263 2191 P C 0.954 178.391 177.300 0.229 0.000 1.175 2191 P CA 1.975 65.223 63.100 0.246 0.000 0.761 2191 P CB 0.405 32.215 31.700 0.183 0.000 0.794 2192 T N -0.847 113.769 114.554 0.104 0.000 7.776 2192 T HA -0.342 4.008 4.350 -0.000 0.000 0.302 2192 T C 0.809 175.363 174.700 -0.244 0.000 2.093 2192 T CA 1.566 63.614 62.100 -0.086 0.000 3.360 2192 T CB -2.717 66.041 68.868 -0.183 0.000 1.793 2192 T HN 0.333 nan 8.240 nan 0.000 1.076 2193 Y N 0.377 120.678 120.300 0.002 0.000 2.382 2193 Y HA 0.674 5.224 4.550 0.000 0.000 0.292 2193 Y C 1.166 176.903 175.900 -0.271 0.000 1.151 2193 Y CA 0.122 58.151 58.100 -0.118 0.000 1.198 2193 Y CB 0.518 38.971 38.460 -0.011 0.000 1.195 2193 Y HN 0.424 nan 8.280 nan 0.000 0.530 2194 F N -0.276 119.897 119.950 0.371 0.000 2.588 2194 F HA 0.491 5.018 4.527 -0.000 0.000 0.314 2194 F C -2.536 173.429 175.800 0.275 0.000 1.069 2194 F CA -2.993 55.187 58.000 0.300 0.000 0.931 2194 F CB 1.300 40.411 39.000 0.185 0.000 1.260 2194 F HN -0.318 nan 8.300 nan 0.000 0.465 2195 P HA 0.201 nan 4.420 nan 0.000 0.271 2195 P C -2.575 175.012 177.300 0.478 0.000 1.216 2195 P CA -1.064 62.278 63.100 0.403 0.000 0.771 2195 P CB 0.047 31.949 31.700 0.338 0.000 0.864 2196 P HA 0.003 nan 4.420 nan 0.000 0.269 2196 P C -0.437 177.172 177.300 0.515 0.000 1.217 2196 P CA 0.401 63.753 63.100 0.420 0.000 0.783 2196 P CB 0.347 32.237 31.700 0.318 0.000 0.898 2197 H N 1.254 120.586 119.070 0.436 0.000 2.459 2197 H HA 0.294 4.850 4.556 -0.000 0.000 0.332 2197 H C -1.316 174.292 175.328 0.467 0.000 1.094 2197 H CA -0.701 55.600 56.048 0.420 0.000 1.224 2197 H CB 0.635 30.677 29.762 0.467 0.000 1.449 2197 H HN 0.371 nan 8.280 nan 0.000 0.484 2198 Y N 7.407 127.650 120.300 -0.095 0.000 2.328 2198 Y HA 0.338 4.888 4.550 -0.000 0.000 0.337 2198 Y C -1.778 173.990 175.900 -0.219 0.000 0.966 2198 Y CA -0.898 57.137 58.100 -0.109 0.000 1.136 2198 Y CB 0.407 38.853 38.460 -0.023 0.000 1.170 2198 Y HN 0.542 nan 8.280 nan 0.000 0.470 2199 F N 3.841 123.308 119.950 -0.805 0.000 2.668 2199 F HA 0.824 5.351 4.527 -0.000 0.000 0.309 2199 F C -2.241 173.308 175.800 -0.418 0.000 1.117 2199 F CA -1.434 56.210 58.000 -0.593 0.000 0.951 2199 F CB 0.879 39.655 39.000 -0.374 0.000 1.323 2199 F HN 0.187 nan 8.300 nan 0.000 0.451 2200 V N 1.144 120.932 119.914 -0.210 0.000 2.715 2200 V HA 0.740 4.860 4.120 -0.000 0.000 0.310 2200 V C -0.323 175.842 176.094 0.117 0.000 1.054 2200 V CA -0.273 61.956 62.300 -0.118 0.000 0.928 2200 V CB 1.910 33.667 31.823 -0.110 0.000 1.007 2200 V HN 1.072 nan 8.190 nan 0.000 0.437 2201 T N 2.922 117.587 114.554 0.184 0.000 2.773 2201 T HA 0.552 4.902 4.350 -0.000 0.000 0.278 2201 T C -1.100 173.690 174.700 0.150 0.000 1.011 2201 T CA -0.621 61.619 62.100 0.233 0.000 1.014 2201 T CB 1.644 70.780 68.868 0.446 0.000 1.293 2201 T HN 0.771 nan 8.240 nan 0.000 0.554 2202 N N 0.297 119.057 118.700 0.101 0.000 2.260 2202 N HA 0.498 5.238 4.740 -0.000 0.000 0.293 2202 N C -0.635 174.878 175.510 0.006 0.000 1.058 2202 N CA -0.685 52.399 53.050 0.057 0.000 0.824 2202 N CB 1.966 40.477 38.487 0.040 0.000 1.551 2202 N HN 0.686 nan 8.380 nan 0.000 0.475 2203 T N -1.351 113.205 114.554 0.004 0.000 2.770 2203 T HA 0.212 4.562 4.350 -0.000 0.000 0.281 2203 T C 1.167 175.852 174.700 -0.025 0.000 0.981 2203 T CA -0.536 61.544 62.100 -0.034 0.000 0.955 2203 T CB 0.731 69.598 68.868 -0.002 0.000 1.060 2203 T HN 0.254 nan 8.240 nan 0.000 0.531 2204 S N 1.439 117.119 115.700 -0.033 0.000 2.359 2204 S HA -0.168 4.302 4.470 -0.000 0.000 0.224 2204 S C 1.987 176.578 174.600 -0.015 0.000 1.035 2204 S CA 1.644 59.828 58.200 -0.026 0.000 1.018 2204 S CB -0.857 62.326 63.200 -0.028 0.000 0.876 2204 S HN 0.903 nan 8.310 nan 0.000 0.448 2205 N N 0.555 119.250 118.700 -0.009 0.000 2.571 2205 N HA 0.065 4.805 4.740 -0.000 0.000 0.189 2205 N C 1.160 176.670 175.510 0.001 0.000 1.154 2205 N CA 0.686 53.733 53.050 -0.004 0.000 0.907 2205 N CB 0.011 38.496 38.487 -0.002 0.000 0.977 2205 N HN 0.501 nan 8.380 nan 0.000 0.449 2206 G N 0.655 109.456 108.800 0.002 0.000 2.175 2206 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.244 2206 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.244 2206 G C -0.427 174.482 174.900 0.016 0.000 0.982 2206 G CA -0.004 45.101 45.100 0.008 0.000 0.641 2206 G HN 0.406 nan 8.290 nan 0.000 0.527 2207 D N 1.487 121.898 120.400 0.018 0.000 2.399 2207 D HA 0.301 4.941 4.640 -0.000 0.000 0.241 2207 D C 0.836 177.161 176.300 0.043 0.000 1.133 2207 D CA 0.251 54.266 54.000 0.025 0.000 0.890 2207 D CB 0.569 41.384 40.800 0.025 0.000 1.201 2207 D HN 0.482 nan 8.370 nan 0.000 0.432 2208 E N 0.598 120.819 120.200 0.035 0.000 2.373 2208 E HA 0.072 4.422 4.350 -0.000 0.000 0.267 2208 E C -0.743 175.890 176.600 0.054 0.000 1.032 2208 E CA 0.025 56.449 56.400 0.040 0.000 0.889 2208 E CB 0.887 30.597 29.700 0.017 0.000 0.984 2208 E HN 0.360 nan 8.360 nan 0.000 0.425 2209 Y N 1.932 122.163 120.300 -0.115 0.000 2.326 2209 Y HA 0.177 4.727 4.550 -0.000 0.000 0.329 2209 Y C -0.595 175.095 175.900 -0.351 0.000 0.973 2209 Y CA -0.574 57.388 58.100 -0.229 0.000 1.162 2209 Y CB 1.074 39.404 38.460 -0.217 0.000 1.147 2209 Y HN 0.416 nan 8.280 nan 0.000 0.456 2210 E N 5.415 125.235 120.200 -0.634 0.000 2.231 2210 E HA 0.382 4.732 4.350 -0.000 0.000 0.277 2210 E C -1.536 174.579 176.600 -0.808 0.000 0.999 2210 E CA -0.636 55.428 56.400 -0.560 0.000 0.827 2210 E CB 1.751 31.304 29.700 -0.245 0.000 1.101 2210 E HN 0.441 nan 8.360 nan 0.000 0.393 2211 F N 1.348 120.948 119.950 -0.583 0.000 2.532 2211 F HA 0.374 4.901 4.527 0.000 0.000 0.321 2211 F C 0.351 175.999 175.800 -0.255 0.000 1.089 2211 F CA -0.835 56.871 58.000 -0.489 0.000 0.926 2211 F CB 1.608 40.046 39.000 -0.938 0.000 1.168 2211 F HN 0.261 nan 8.300 nan 0.000 0.459 2212 N N 4.707 123.489 118.700 0.137 0.000 2.690 2212 N HA 0.368 5.108 4.740 -0.000 0.000 0.255 2212 N C -1.564 174.093 175.510 0.246 0.000 1.195 2212 N CA -0.169 53.006 53.050 0.209 0.000 0.790 2212 N CB 1.509 40.082 38.487 0.144 0.000 1.216 2212 N HN 0.406 nan 8.380 nan 0.000 0.528 2213 L N 0.767 122.210 121.223 0.367 0.000 2.334 2213 L HA 0.758 5.098 4.340 -0.000 0.000 0.272 2213 L C 0.458 177.565 176.870 0.395 0.000 1.020 2213 L CA -1.192 53.882 54.840 0.391 0.000 0.812 2213 L CB 1.725 44.079 42.059 0.492 0.000 1.264 2213 L HN 0.022 nan 8.230 nan 0.000 0.439 2214 V N -3.028 117.104 119.914 0.364 0.000 3.160 2214 V HA 0.473 4.593 4.120 -0.000 0.000 0.310 2214 V C -0.456 175.808 176.094 0.283 0.000 1.181 2214 V CA -1.022 61.473 62.300 0.325 0.000 1.047 2214 V CB 1.850 33.868 31.823 0.325 0.000 1.068 2214 V HN 0.747 nan 8.190 nan 0.000 0.441 2215 D N 1.013 121.541 120.400 0.215 0.000 2.667 2215 D HA -0.019 4.621 4.640 -0.000 0.000 0.226 2215 D C 1.404 177.810 176.300 0.177 0.000 1.137 2215 D CA 1.491 55.587 54.000 0.160 0.000 0.855 2215 D CB 1.543 42.425 40.800 0.136 0.000 1.194 2215 D HN 1.019 nan 8.370 nan 0.000 0.492 2216 G N 2.645 111.535 108.800 0.150 0.000 2.559 2216 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.216 2216 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.216 2216 G C 1.428 176.397 174.900 0.115 0.000 1.126 2216 G CA 0.871 46.063 45.100 0.153 0.000 0.778 2216 G HN 0.593 nan 8.290 nan 0.000 0.543 2217 A N 0.333 123.207 122.820 0.090 0.000 1.933 2217 A HA 0.069 4.389 4.320 -0.000 0.000 0.218 2217 A C 2.490 180.093 177.584 0.031 0.000 1.175 2217 A CA 1.553 53.627 52.037 0.062 0.000 0.628 2217 A CB -0.427 18.607 19.000 0.057 0.000 0.814 2217 A HN 0.244 nan 8.150 nan 0.000 0.444 2218 V N -0.348 119.580 119.914 0.023 0.000 2.594 2218 V HA -0.180 3.940 4.120 -0.000 0.000 0.253 2218 V C 2.591 178.547 176.094 -0.231 0.000 1.069 2218 V CA 1.602 63.834 62.300 -0.112 0.000 1.082 2218 V CB -0.951 30.809 31.823 -0.104 0.000 0.680 2218 V HN 0.582 nan 8.190 nan 0.000 0.469 2219 A N -1.250 121.562 122.820 -0.014 0.000 2.278 2219 A HA 0.188 4.508 4.320 -0.000 0.000 0.212 2219 A C 1.383 179.002 177.584 0.058 0.000 1.213 2219 A CA 0.990 53.075 52.037 0.081 0.000 0.840 2219 A CB -0.472 18.683 19.000 0.257 0.000 0.866 2219 A HN 0.551 nan 8.150 nan 0.000 0.489 2220 T N -2.140 112.427 114.554 0.022 0.000 5.975 2220 T HA -0.195 4.155 4.350 -0.000 0.000 0.273 2220 T C 0.476 175.225 174.700 0.080 0.000 2.189 2220 T CA 1.115 63.245 62.100 0.049 0.000 3.660 2220 T CB -2.611 66.295 68.868 0.062 0.000 1.044 2220 T HN 1.404 nan 8.240 nan 0.000 1.166 2221 V N -1.606 118.359 119.914 0.084 0.000 2.802 2221 V HA 0.869 4.989 4.120 -0.000 0.000 0.350 2221 V C 1.798 177.940 176.094 0.080 0.000 1.233 2221 V CA 0.147 62.501 62.300 0.091 0.000 1.337 2221 V CB 0.001 31.881 31.823 0.094 0.000 1.497 2221 V HN 0.477 nan 8.190 nan 0.000 0.616 2222 A N 0.567 123.430 122.820 0.071 0.000 1.986 2222 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 2222 A C 1.247 178.867 177.584 0.059 0.000 1.171 2222 A CA 2.049 54.122 52.037 0.060 0.000 0.640 2222 A CB -0.238 18.794 19.000 0.053 0.000 0.811 2222 A HN 0.706 nan 8.150 nan 0.000 0.451 2223 D N -1.319 119.124 120.400 0.072 0.000 2.461 2223 D HA 0.322 4.962 4.640 -0.000 0.000 0.240 2223 D C -2.478 173.874 176.300 0.087 0.000 1.094 2223 D CA -2.169 51.876 54.000 0.075 0.000 0.868 2223 D CB 1.535 42.387 40.800 0.088 0.000 1.062 2223 D HN 0.078 nan 8.370 nan 0.000 0.530 2224 P HA 0.188 nan 4.420 nan 0.000 0.258 2224 P C 0.853 178.197 177.300 0.073 0.000 1.416 2224 P CA -0.061 63.083 63.100 0.074 0.000 0.927 2224 P CB 0.486 32.222 31.700 0.061 0.000 1.444 2225 A N 0.688 123.560 122.820 0.086 0.000 1.933 2225 A HA -0.170 4.149 4.320 -0.000 0.000 0.218 2225 A C 1.972 179.606 177.584 0.083 0.000 1.175 2225 A CA 1.408 53.498 52.037 0.089 0.000 0.628 2225 A CB -1.378 17.697 19.000 0.125 0.000 0.814 2225 A HN 0.260 nan 8.150 nan 0.000 0.444 2226 L N -0.815 120.470 121.223 0.103 0.000 2.156 2226 L HA -0.012 4.328 4.340 -0.000 0.000 0.208 2226 L C 2.144 179.051 176.870 0.061 0.000 1.095 2226 L CA 1.764 56.663 54.840 0.098 0.000 0.770 2226 L CB -0.599 41.553 42.059 0.156 0.000 0.914 2226 L HN 0.360 nan 8.230 nan 0.000 0.439 2227 L N -1.096 120.165 121.223 0.063 0.000 2.046 2227 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 2227 L C 2.369 179.249 176.870 0.018 0.000 1.077 2227 L CA 2.043 56.907 54.840 0.040 0.000 0.747 2227 L CB -0.901 41.189 42.059 0.053 0.000 0.896 2227 L HN 0.259 nan 8.230 nan 0.000 0.432 2228 S N -0.268 115.447 115.700 0.026 0.000 2.356 2228 S HA -0.128 4.342 4.470 -0.000 0.000 0.223 2228 S C 1.908 176.501 174.600 -0.012 0.000 1.032 2228 S CA 1.616 59.823 58.200 0.013 0.000 1.005 2228 S CB -0.439 62.780 63.200 0.032 0.000 0.867 2228 S HN 0.393 nan 8.310 nan 0.000 0.449 2229 I N 1.815 122.380 120.570 -0.009 0.000 2.286 2229 I HA -0.125 4.045 4.170 -0.000 0.000 0.248 2229 I C 2.317 178.381 176.117 -0.088 0.000 1.115 2229 I CA 1.064 62.327 61.300 -0.061 0.000 1.392 2229 I CB -0.532 37.402 38.000 -0.111 0.000 1.065 2229 I HN 0.135 nan 8.210 nan 0.000 0.418 2230 S N -0.528 115.141 115.700 -0.052 0.000 2.383 2230 S HA -0.109 4.361 4.470 -0.000 0.000 0.227 2230 S C 2.170 176.722 174.600 -0.080 0.000 1.026 2230 S CA 1.162 59.331 58.200 -0.051 0.000 0.981 2230 S CB -0.323 62.864 63.200 -0.022 0.000 0.818 2230 S HN 0.271 nan 8.310 nan 0.000 0.472 2231 V N 2.050 121.913 119.914 -0.085 0.000 2.343 2231 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 2231 V C 2.635 178.591 176.094 -0.229 0.000 1.051 2231 V CA 1.674 63.903 62.300 -0.120 0.000 1.036 2231 V CB -1.162 30.606 31.823 -0.091 0.000 0.654 2231 V HN 0.538 nan 8.190 nan 0.000 0.451 2232 A N -0.423 122.237 122.820 -0.267 0.000 1.902 2232 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 2232 A C 2.406 179.772 177.584 -0.362 0.000 1.181 2232 A CA 2.454 54.198 52.037 -0.488 0.000 0.623 2232 A CB -0.982 17.857 19.000 -0.268 0.000 0.818 2232 A HN 0.484 nan 8.150 nan 0.000 0.443 2233 T N -0.425 114.019 114.554 -0.183 0.000 2.720 2233 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 2233 T C 2.089 176.732 174.700 -0.094 0.000 1.037 2233 T CA 1.603 63.642 62.100 -0.103 0.000 1.144 2233 T CB -0.232 68.596 68.868 -0.067 0.000 0.864 2233 T HN 0.480 nan 8.240 nan 0.000 0.444 2234 R N 0.357 120.790 120.500 -0.112 0.000 2.075 2234 R HA 0.078 4.418 4.340 -0.000 0.000 0.232 2234 R C 2.502 178.744 176.300 -0.097 0.000 1.126 2234 R CA 0.948 56.997 56.100 -0.085 0.000 0.963 2234 R CB -0.526 29.728 30.300 -0.077 0.000 0.858 2234 R HN 0.367 nan 8.270 nan 0.000 0.435 2235 L N 0.256 121.367 121.223 -0.187 0.000 2.127 2235 L HA -0.161 4.179 4.340 -0.000 0.000 0.211 2235 L C 2.440 179.283 176.870 -0.046 0.000 1.089 2235 L CA 1.068 55.799 54.840 -0.181 0.000 0.757 2235 L CB -0.563 41.212 42.059 -0.474 0.000 0.899 2235 L HN 0.253 nan 8.230 nan 0.000 0.434 2236 A N -0.914 121.884 122.820 -0.037 0.000 2.225 2236 A HA -0.161 4.159 4.320 -0.000 0.000 0.215 2236 A C 2.044 179.662 177.584 0.056 0.000 1.164 2236 A CA 0.949 53.041 52.037 0.092 0.000 0.710 2236 A CB -0.218 18.835 19.000 0.089 0.000 0.780 2236 A HN 0.408 nan 8.150 nan 0.000 0.473 2237 Q N -0.572 119.240 119.800 0.020 0.000 2.432 2237 Q HA 0.073 4.413 4.340 -0.000 0.000 0.205 2237 Q C 0.938 176.954 176.000 0.025 0.000 0.945 2237 Q CA 0.898 56.712 55.803 0.017 0.000 0.924 2237 Q CB 0.184 28.922 28.738 0.000 0.000 1.016 2237 Q HN 0.693 nan 8.270 nan 0.000 0.503 2238 K N -0.627 119.796 120.400 0.039 0.000 2.608 2238 K HA 0.068 4.388 4.320 -0.000 0.000 0.214 2238 K C -0.475 176.164 176.600 0.066 0.000 1.469 2238 K CA -0.016 56.296 56.287 0.041 0.000 1.012 2238 K CB 1.229 33.745 32.500 0.027 0.000 1.211 2238 K HN -0.077 nan 8.250 nan 0.000 0.627 2239 D N 2.586 123.052 120.400 0.110 0.000 2.454 2239 D HA 0.144 4.784 4.640 -0.000 0.000 0.225 2239 D C -1.743 174.642 176.300 0.143 0.000 1.081 2239 D CA -2.143 51.952 54.000 0.158 0.000 0.864 2239 D CB 1.700 42.685 40.800 0.309 0.000 1.040 2239 D HN -0.120 nan 8.370 nan 0.000 0.517 2240 P HA -0.182 nan 4.420 nan 0.000 0.220 2240 P C 1.081 178.386 177.300 0.009 0.000 1.144 2240 P CA 0.755 63.878 63.100 0.039 0.000 0.800 2240 P CB 0.299 32.010 31.700 0.017 0.000 0.772 2241 A N -0.675 122.129 122.820 -0.026 0.000 1.933 2241 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 2241 A C 1.792 179.214 177.584 -0.270 0.000 1.175 2241 A CA 1.218 53.145 52.037 -0.184 0.000 0.628 2241 A CB -1.594 17.227 19.000 -0.298 0.000 0.814 2241 A HN 0.164 nan 8.150 nan 0.000 0.444 2242 F N 0.026 119.982 119.950 0.009 0.000 2.732 2242 F HA 0.369 4.896 4.527 0.000 0.000 0.303 2242 F C 1.389 177.191 175.800 0.004 0.000 1.110 2242 F CA 0.117 58.122 58.000 0.008 0.000 1.355 2242 F CB 0.113 39.119 39.000 0.009 0.000 1.081 2242 F HN 0.164 nan 8.300 nan 0.000 0.565 2243 A N 0.559 123.454 122.820 0.125 0.000 2.475 2243 A HA 0.422 4.742 4.320 -0.000 0.000 0.293 2243 A C 1.077 178.694 177.584 0.055 0.000 1.252 2243 A CA 0.936 53.021 52.037 0.081 0.000 0.920 2243 A CB -0.282 18.748 19.000 0.049 0.000 1.125 2243 A HN 0.426 nan 8.150 nan 0.000 0.528 2244 S N 1.234 116.972 115.700 0.063 0.000 2.081 2244 S HA -0.101 4.369 4.470 -0.000 0.000 0.143 2244 S C 0.477 175.110 174.600 0.055 0.000 0.663 2244 S CA 0.567 58.796 58.200 0.047 0.000 1.716 2244 S CB -1.666 61.556 63.200 0.036 0.000 1.038 2244 S HN 1.466 nan 8.310 nan 0.000 0.444 2245 I N -0.322 120.290 120.570 0.070 0.000 3.966 2245 I HA 0.566 4.736 4.170 -0.000 0.000 0.324 2245 I C 1.539 177.682 176.117 0.043 0.000 1.517 2245 I CA -0.351 60.978 61.300 0.049 0.000 1.117 2245 I CB 0.184 38.206 38.000 0.037 0.000 1.190 2245 I HN 0.160 nan 8.210 nan 0.000 0.466 2246 R N 2.539 123.070 120.500 0.053 0.000 2.139 2246 R HA -0.116 4.224 4.340 -0.000 0.000 0.243 2246 R C 1.204 177.521 176.300 0.028 0.000 1.145 2246 R CA 2.043 58.168 56.100 0.041 0.000 0.976 2246 R CB 0.000 30.326 30.300 0.043 0.000 0.866 2246 R HN 0.614 nan 8.270 nan 0.000 0.449 2247 S N -0.128 115.591 115.700 0.032 0.000 2.449 2247 S HA 0.231 4.701 4.470 -0.000 0.000 0.237 2247 S C 0.192 174.817 174.600 0.042 0.000 1.214 2247 S CA -0.574 57.643 58.200 0.029 0.000 1.226 2247 S CB 0.720 63.935 63.200 0.024 0.000 0.904 2247 S HN 0.326 nan 8.310 nan 0.000 0.490 2248 L N 0.951 122.206 121.223 0.054 0.000 3.737 2248 L HA -0.169 4.171 4.340 -0.000 0.000 0.418 2248 L C -0.012 176.959 176.870 0.167 0.000 1.216 2248 L CA 0.339 55.248 54.840 0.116 0.000 0.915 2248 L CB -1.940 40.183 42.059 0.107 0.000 1.834 2248 L HN 0.691 nan 8.230 nan 0.000 0.943 2249 N N -0.305 118.454 118.700 0.099 0.000 2.605 2249 N HA 0.059 4.799 4.740 -0.000 0.000 0.258 2249 N C 0.949 176.530 175.510 0.118 0.000 1.156 2249 N CA -0.019 53.093 53.050 0.103 0.000 1.008 2249 N CB 0.046 38.572 38.487 0.065 0.000 1.354 2249 N HN 0.295 nan 8.380 nan 0.000 0.509 2250 Y N 1.491 121.730 120.300 -0.102 0.000 2.651 2250 Y HA -0.079 4.471 4.550 -0.000 0.000 0.296 2250 Y C 1.781 177.700 175.900 0.032 0.000 1.150 2250 Y CA 0.888 58.882 58.100 -0.178 0.000 1.348 2250 Y CB 0.142 38.298 38.460 -0.507 0.000 0.983 2250 Y HN 0.433 nan 8.280 nan 0.000 0.555 2251 K N 0.012 120.523 120.400 0.185 0.000 2.288 2251 K HA -0.060 4.260 4.320 -0.000 0.000 0.201 2251 K C 0.754 177.442 176.600 0.147 0.000 1.048 2251 K CA 0.840 57.231 56.287 0.173 0.000 0.956 2251 K CB 0.144 32.712 32.500 0.113 0.000 0.746 2251 K HN 0.174 nan 8.250 nan 0.000 0.461 2255 L N 5.202 126.715 121.223 0.483 0.000 2.381 2255 L HA 0.826 5.166 4.340 -0.000 0.000 0.274 2255 L C -1.898 175.214 176.870 0.403 0.000 0.988 2255 L CA -0.465 54.660 54.840 0.476 0.000 0.824 2255 L CB 1.764 44.038 42.059 0.359 0.000 1.263 2255 L HN 0.609 nan 8.230 nan 0.000 0.410 2256 L N 4.362 125.699 121.223 0.190 0.000 2.298 2256 L HA 0.732 5.072 4.340 -0.000 0.000 0.284 2256 L C -0.651 176.168 176.870 -0.085 0.000 1.013 2256 L CA 0.278 54.987 54.840 -0.219 0.000 0.824 2256 L CB 1.555 43.264 42.059 -0.582 0.000 1.221 2256 L HN 0.725 nan 8.230 nan 0.000 0.418 2257 S N 6.155 121.833 115.700 -0.038 0.000 2.519 2257 S HA 0.757 5.227 4.470 -0.000 0.000 0.309 2257 S C -0.998 173.558 174.600 -0.073 0.000 1.100 2257 S CA -0.657 57.550 58.200 0.012 0.000 1.059 2257 S CB 0.527 63.846 63.200 0.198 0.000 1.008 2257 S HN 0.599 nan 8.310 nan 0.000 0.478 2258 L N 4.284 125.458 121.223 -0.082 0.000 2.322 2258 L HA 0.742 5.082 4.340 -0.000 0.000 0.281 2258 L C 0.865 177.695 176.870 -0.067 0.000 1.014 2258 L CA -0.890 53.885 54.840 -0.107 0.000 0.815 2258 L CB 1.807 43.798 42.059 -0.113 0.000 1.247 2258 L HN 0.764 nan 8.230 nan 0.000 0.421 2259 G N -0.174 108.578 108.800 -0.081 0.000 2.552 2259 G HA2 0.510 4.470 3.960 -0.000 0.000 0.324 2259 G HA3 0.510 4.470 3.960 -0.000 0.000 0.324 2259 G C 0.345 175.213 174.900 -0.053 0.000 1.217 2259 G CA -0.133 44.938 45.100 -0.048 0.000 0.989 2259 G HN 0.608 nan 8.290 nan 0.000 0.490 2260 T N -3.140 111.392 114.554 -0.037 0.000 3.174 2260 T HA 0.516 4.866 4.350 -0.000 0.000 0.269 2260 T C 0.969 175.643 174.700 -0.044 0.000 1.017 2260 T CA 0.646 62.719 62.100 -0.045 0.000 0.899 2260 T CB -0.245 68.597 68.868 -0.044 0.000 1.077 2260 T HN 2.255 nan 8.240 nan 0.000 0.552 2261 G N 1.491 110.270 108.800 -0.035 0.000 2.716 2261 G HA2 0.171 4.131 3.960 -0.000 0.000 0.686 2261 G HA3 0.171 4.131 3.960 -0.000 0.000 0.686 2261 G C -0.359 174.533 174.900 -0.013 0.000 1.337 2261 G CA -0.505 44.580 45.100 -0.025 0.000 0.829 2261 G HN 1.288 nan 8.290 nan 0.000 0.599 2262 T N -1.597 112.954 114.554 -0.004 0.000 2.907 2262 T HA 0.764 5.114 4.350 -0.000 0.000 0.292 2262 T C 0.316 175.009 174.700 -0.012 0.000 1.043 2262 T CA 0.111 62.212 62.100 0.002 0.000 1.003 2262 T CB 1.895 70.774 68.868 0.019 0.000 1.084 2262 T HN 1.202 nan 8.240 nan 0.000 0.483 2263 T N 2.687 117.232 114.554 -0.015 0.000 2.902 2263 T HA 0.291 4.641 4.350 -0.000 0.000 0.301 2263 T C 0.756 175.417 174.700 -0.065 0.000 1.012 2263 T CA -0.196 61.884 62.100 -0.033 0.000 1.151 2263 T CB 0.585 69.435 68.868 -0.030 0.000 0.946 2263 T HN 0.878 nan 8.240 nan 0.000 0.542 2264 S N 2.172 117.829 115.700 -0.071 0.000 2.562 2264 S HA 0.002 4.472 4.470 -0.000 0.000 0.281 2264 S C 1.476 175.938 174.600 -0.230 0.000 1.333 2264 S CA -0.650 57.473 58.200 -0.128 0.000 1.052 2264 S CB 0.361 63.532 63.200 -0.049 0.000 0.884 2264 S HN 0.729 nan 8.310 nan 0.000 0.506 2265 E N 3.169 123.106 120.200 -0.439 0.000 2.472 2265 E HA -0.107 4.243 4.350 -0.000 0.000 0.200 2265 E C 0.348 176.654 176.600 -0.490 0.000 1.046 2265 E CA 0.923 57.022 56.400 -0.502 0.000 0.871 2265 E CB -0.362 28.973 29.700 -0.609 0.000 0.806 2265 E HN 0.867 nan 8.360 nan 0.000 0.533 2266 F N 0.489 120.411 119.950 -0.047 0.000 2.653 2266 F HA 0.259 4.786 4.527 -0.000 0.000 0.304 2266 F C 1.021 176.784 175.800 -0.063 0.000 1.092 2266 F CA -0.696 57.275 58.000 -0.049 0.000 1.279 2266 F CB 0.519 39.500 39.000 -0.032 0.000 1.044 2266 F HN -0.058 nan 8.300 nan 0.000 0.564 2267 D N -0.041 120.365 120.400 0.009 0.000 2.482 2267 D HA 0.213 4.853 4.640 -0.000 0.000 0.223 2267 D C 0.019 176.243 176.300 -0.126 0.000 1.262 2267 D CA -0.513 53.470 54.000 -0.029 0.000 1.125 2267 D CB 0.697 41.482 40.800 -0.026 0.000 1.196 2267 D HN -0.211 nan 8.370 nan 0.000 0.594 2268 K N 0.418 120.732 120.400 -0.143 0.000 2.081 2268 K HA 0.218 4.538 4.320 -0.000 0.000 0.230 2268 K C -0.769 175.544 176.600 -0.478 0.000 1.199 2268 K CA 0.249 56.377 56.287 -0.264 0.000 1.130 2268 K CB 0.149 32.602 32.500 -0.078 0.000 1.386 2268 K HN 0.133 nan 8.250 nan 0.000 0.280 2269 T N 0.529 114.675 114.554 -0.679 0.000 2.907 2269 T HA 0.584 4.934 4.350 -0.000 0.000 0.290 2269 T C -1.411 172.748 174.700 -0.903 0.000 1.066 2269 T CA -0.584 61.164 62.100 -0.588 0.000 1.012 2269 T CB 0.745 69.461 68.868 -0.254 0.000 1.184 2269 T HN 0.195 nan 8.240 nan 0.000 0.522 2270 Y N -0.144 120.190 120.300 0.058 0.000 2.609 2270 Y HA 0.563 5.113 4.550 0.000 0.000 0.342 2270 Y C 0.635 176.506 175.900 -0.049 0.000 1.058 2270 Y CA -1.127 56.993 58.100 0.034 0.000 1.055 2270 Y CB 1.577 40.105 38.460 0.114 0.000 1.292 2270 Y HN 0.665 nan 8.280 nan 0.000 0.476 2271 T N -2.192 112.403 114.554 0.069 0.000 2.944 2271 T HA 0.633 4.983 4.350 -0.000 0.000 0.284 2271 T C 0.988 175.614 174.700 -0.124 0.000 1.010 2271 T CA -0.250 61.836 62.100 -0.024 0.000 1.025 2271 T CB 1.728 70.582 68.868 -0.024 0.000 1.079 2271 T HN 0.826 nan 8.240 nan 0.000 0.516 2272 A N 0.805 123.564 122.820 -0.102 0.000 1.933 2272 A HA -0.037 4.283 4.320 -0.000 0.000 0.218 2272 A C 2.294 179.770 177.584 -0.180 0.000 1.175 2272 A CA 1.690 53.647 52.037 -0.134 0.000 0.628 2272 A CB -0.864 18.096 19.000 -0.068 0.000 0.814 2272 A HN 0.958 nan 8.150 nan 0.000 0.444 2273 K N 0.304 120.625 120.400 -0.131 0.000 2.009 2273 K HA -0.255 4.065 4.320 -0.000 0.000 0.210 2273 K C 1.935 178.426 176.600 -0.181 0.000 1.049 2273 K CA 2.032 58.246 56.287 -0.121 0.000 0.929 2273 K CB -0.242 32.215 32.500 -0.072 0.000 0.714 2273 K HN 0.750 nan 8.250 nan 0.000 0.440 2274 E N -0.103 119.974 120.200 -0.206 0.000 2.152 2274 E HA -0.095 4.255 4.350 -0.000 0.000 0.192 2274 E C 1.795 178.000 176.600 -0.658 0.000 0.983 2274 E CA 0.890 57.141 56.400 -0.248 0.000 0.818 2274 E CB -0.204 29.456 29.700 -0.067 0.000 0.758 2274 E HN 0.339 nan 8.360 nan 0.000 0.467 2275 A N 1.546 123.749 122.820 -1.028 0.000 2.172 2275 A HA 0.137 4.457 4.320 -0.000 0.000 0.216 2275 A C 2.369 179.426 177.584 -0.878 0.000 1.154 2275 A CA 1.053 51.956 52.037 -1.889 0.000 0.701 2275 A CB -0.575 17.477 19.000 -1.580 0.000 0.789 2275 A HN 0.342 nan 8.150 nan 0.000 0.465 2276 A N 0.180 122.724 122.820 -0.460 0.000 1.873 2276 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 2276 A C 2.262 179.774 177.584 -0.120 0.000 1.193 2276 A CA 2.380 54.298 52.037 -0.199 0.000 0.629 2276 A CB -1.330 17.588 19.000 -0.137 0.000 0.826 2276 A HN 0.886 nan 8.150 nan 0.000 0.447 2277 T N -4.611 109.861 114.554 -0.136 0.000 3.272 2277 T HA 0.159 4.509 4.350 -0.000 0.000 0.250 2277 T C -0.096 174.633 174.700 0.049 0.000 1.082 2277 T CA -0.545 61.537 62.100 -0.029 0.000 0.968 2277 T CB -0.437 68.414 68.868 -0.028 0.000 1.015 2277 T HN 0.320 nan 8.240 nan 0.000 0.563 2278 W N 3.591 124.767 121.300 -0.208 0.000 2.170 2278 W HA 0.465 5.125 4.660 -0.000 0.000 0.336 2278 W C 1.069 177.582 176.519 -0.010 0.000 1.283 2278 W CA -1.171 55.985 57.345 -0.316 0.000 1.224 2278 W CB 0.477 29.627 29.460 -0.516 0.000 1.132 2278 W HN 0.246 nan 8.180 nan 0.000 0.571 2279 T N -1.168 113.612 114.554 0.377 0.000 2.884 2279 T HA 0.598 4.948 4.350 -0.000 0.000 0.277 2279 T C 1.132 176.058 174.700 0.377 0.000 0.976 2279 T CA -0.126 62.187 62.100 0.355 0.000 0.956 2279 T CB 1.141 70.192 68.868 0.304 0.000 1.113 2279 T HN 0.406 nan 8.240 nan 0.000 0.554 2280 A N 0.091 123.068 122.820 0.262 0.000 1.940 2280 A HA 0.009 4.329 4.320 -0.000 0.000 0.219 2280 A C 2.319 179.995 177.584 0.154 0.000 1.176 2280 A CA 1.682 53.857 52.037 0.230 0.000 0.631 2280 A CB -1.354 17.720 19.000 0.125 0.000 0.814 2280 A HN 0.689 nan 8.150 nan 0.000 0.446 2281 V N -0.626 119.305 119.914 0.028 0.000 2.427 2281 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 2281 V C 2.263 178.221 176.094 -0.227 0.000 1.051 2281 V CA 2.292 64.519 62.300 -0.122 0.000 1.048 2281 V CB -1.146 30.538 31.823 -0.232 0.000 0.666 2281 V HN 0.726 nan 8.190 nan 0.000 0.456 2282 H N -2.285 116.670 119.070 -0.192 0.000 2.353 2282 H HA -0.092 4.464 4.556 -0.000 0.000 0.300 2282 H C 1.136 176.161 175.328 -0.505 0.000 1.090 2282 H CA 1.395 57.136 56.048 -0.510 0.000 1.327 2282 H CB -0.124 29.157 29.762 -0.801 0.000 1.383 2282 H HN 0.432 nan 8.280 nan 0.000 0.508 2286 V N -4.175 115.718 119.914 -0.034 0.000 3.497 2286 V HA 0.242 4.362 4.120 -0.000 0.000 0.272 2286 V C 1.794 177.984 176.094 0.161 0.000 1.474 2286 V CA 0.350 62.674 62.300 0.041 0.000 1.025 2286 V CB 0.583 32.374 31.823 -0.054 0.000 0.820 2286 V HN 0.167 nan 8.190 nan 0.000 0.437 2287 I N 1.771 122.474 120.570 0.222 0.000 2.248 2287 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 2287 I C 2.434 178.651 176.117 0.167 0.000 1.107 2287 I CA 2.198 63.651 61.300 0.256 0.000 1.373 2287 I CB -0.321 37.822 38.000 0.239 0.000 1.055 2287 I HN 0.419 nan 8.210 nan 0.000 0.418 2288 Q N 0.034 119.922 119.800 0.146 0.000 2.124 2288 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 2288 Q C 1.100 177.161 176.000 0.102 0.000 0.977 2288 Q CA 1.168 57.045 55.803 0.122 0.000 0.850 2288 Q CB -0.066 28.765 28.738 0.154 0.000 0.901 2288 Q HN 0.474 nan 8.270 nan 0.000 0.429 2292 D N 2.517 122.952 120.400 0.058 0.000 2.123 2292 D HA 0.167 4.807 4.640 -0.000 0.000 0.196 2292 D C 2.314 178.648 176.300 0.056 0.000 0.992 2292 D CA 1.904 55.934 54.000 0.051 0.000 0.833 2292 D CB -0.536 40.288 40.800 0.039 0.000 0.954 2292 D HN 0.685 nan 8.370 nan 0.000 0.455 2293 A N 0.671 123.525 122.820 0.057 0.000 1.930 2293 A HA 0.010 4.330 4.320 -0.000 0.000 0.217 2293 A C 2.263 179.895 177.584 0.080 0.000 1.175 2293 A CA 2.018 54.092 52.037 0.062 0.000 0.627 2293 A CB -0.626 18.405 19.000 0.051 0.000 0.815 2293 A HN 0.230 nan 8.150 nan 0.000 0.443 2294 A N -0.836 122.020 122.820 0.059 0.000 1.898 2294 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 2294 A C 2.462 180.098 177.584 0.086 0.000 1.181 2294 A CA 2.019 54.085 52.037 0.047 0.000 0.620 2294 A CB -0.910 18.097 19.000 0.012 0.000 0.819 2294 A HN 0.554 nan 8.150 nan 0.000 0.442 2295 S N -0.439 115.307 115.700 0.076 0.000 2.368 2295 S HA -0.164 4.306 4.470 -0.000 0.000 0.225 2295 S C 2.355 177.012 174.600 0.095 0.000 1.030 2295 S CA 2.019 60.269 58.200 0.083 0.000 0.999 2295 S CB -0.472 62.774 63.200 0.076 0.000 0.844 2295 S HN 0.693 nan 8.310 nan 0.000 0.459 2296 S N -0.793 114.966 115.700 0.098 0.000 2.356 2296 S HA -0.086 4.384 4.470 -0.000 0.000 0.223 2296 S C 0.920 175.589 174.600 0.115 0.000 1.032 2296 S CA 0.567 58.825 58.200 0.096 0.000 1.005 2296 S CB -0.663 62.585 63.200 0.080 0.000 0.867 2296 S HN 0.672 nan 8.310 nan 0.000 0.449 2300 D N 0.443 120.902 120.400 0.098 0.000 2.144 2300 D HA -0.078 4.562 4.640 -0.000 0.000 0.199 2300 D C 1.694 178.069 176.300 0.125 0.000 0.984 2300 D CA 1.257 55.361 54.000 0.174 0.000 0.834 2300 D CB -0.067 40.787 40.800 0.090 0.000 0.955 2300 D HN 0.494 nan 8.370 nan 0.000 0.465 2301 Y N -0.242 119.975 120.300 -0.139 0.000 2.145 2301 Y HA -0.232 4.318 4.550 -0.000 0.000 0.286 2301 Y C 1.774 177.686 175.900 0.019 0.000 1.145 2301 Y CA 1.755 59.779 58.100 -0.127 0.000 1.148 2301 Y CB -0.515 37.822 38.460 -0.206 0.000 0.981 2301 Y HN 0.111 nan 8.280 nan 0.000 0.507 2302 Y N -0.317 120.088 120.300 0.174 0.000 2.128 2302 Y HA -0.311 4.239 4.550 -0.000 0.000 0.284 2302 Y C 2.424 178.300 175.900 -0.040 0.000 1.154 2302 Y CA 1.222 59.356 58.100 0.056 0.000 1.149 2302 Y CB -0.436 38.087 38.460 0.106 0.000 0.976 2302 Y HN 0.115 nan 8.280 nan 0.000 0.505 2303 L N -1.005 120.321 121.223 0.172 0.000 2.056 2303 L HA -0.226 4.114 4.340 -0.000 0.000 0.207 2303 L C 2.512 179.484 176.870 0.170 0.000 1.078 2303 L CA 1.164 56.051 54.840 0.079 0.000 0.749 2303 L CB -0.592 41.328 42.059 -0.232 0.000 0.901 2303 L HN 0.093 nan 8.230 nan 0.000 0.433 2304 S N -0.819 115.003 115.700 0.202 0.000 2.382 2304 S HA -0.179 4.291 4.470 -0.000 0.000 0.228 2304 S C 2.004 176.643 174.600 0.065 0.000 1.027 2304 S CA 1.780 60.124 58.200 0.240 0.000 0.991 2304 S CB -0.312 62.973 63.200 0.142 0.000 0.823 2304 S HN 0.457 nan 8.310 nan 0.000 0.469 2305 T N 2.393 116.881 114.554 -0.109 0.000 2.708 2305 T HA -0.085 4.265 4.350 -0.000 0.000 0.266 2305 T C 2.156 176.773 174.700 -0.138 0.000 1.037 2305 T CA 1.337 63.331 62.100 -0.177 0.000 1.146 2305 T CB -0.557 68.147 68.868 -0.272 0.000 0.865 2305 T HN 0.473 nan 8.240 nan 0.000 0.435 2306 A N 0.763 123.462 122.820 -0.203 0.000 1.877 2306 A HA 0.012 4.332 4.320 -0.000 0.000 0.216 2306 A C 2.054 179.392 177.584 -0.411 0.000 1.186 2306 A CA 1.352 53.097 52.037 -0.487 0.000 0.620 2306 A CB -1.086 17.327 19.000 -0.977 0.000 0.822 2306 A HN 0.474 nan 8.150 nan 0.000 0.443 2307 F N -0.077 119.815 119.950 -0.096 0.000 2.134 2307 F HA -0.206 4.321 4.527 -0.000 0.000 0.299 2307 F C 2.826 178.650 175.800 0.039 0.000 1.097 2307 F CA 1.898 59.942 58.000 0.073 0.000 1.264 2307 F CB -0.330 38.792 39.000 0.203 0.000 1.001 2307 F HN 0.267 nan 8.300 nan 0.000 0.479 2308 Q N -0.157 119.762 119.800 0.198 0.000 2.084 2308 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 2308 Q C 2.457 178.484 176.000 0.044 0.000 0.978 2308 Q CA 1.411 57.279 55.803 0.108 0.000 0.844 2308 Q CB -0.451 28.324 28.738 0.062 0.000 0.898 2308 Q HN 0.439 nan 8.270 nan 0.000 0.426 2309 A N 0.300 123.110 122.820 -0.016 0.000 2.076 2309 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 2309 A C 1.565 179.131 177.584 -0.029 0.000 1.160 2309 A CA 1.046 53.056 52.037 -0.045 0.000 0.653 2309 A CB -0.204 18.733 19.000 -0.104 0.000 0.801 2309 A HN 0.320 nan 8.150 nan 0.000 0.455 2310 L N -0.611 120.607 121.223 -0.008 0.000 2.965 2310 L HA 0.148 4.488 4.340 -0.000 0.000 0.254 2310 L C -0.554 176.363 176.870 0.077 0.000 1.220 2310 L CA -0.305 54.549 54.840 0.023 0.000 1.023 2310 L CB 0.028 42.097 42.059 0.016 0.000 1.355 2310 L HN 0.160 nan 8.230 nan 0.000 0.545 2311 D N 0.641 121.088 120.400 0.078 0.000 2.704 2311 D HA -0.183 4.457 4.640 -0.000 0.000 0.232 2311 D C 0.231 176.606 176.300 0.125 0.000 1.183 2311 D CA 0.977 55.029 54.000 0.087 0.000 0.647 2311 D CB -0.785 40.050 40.800 0.059 0.000 1.013 2311 D HN 0.266 nan 8.370 nan 0.000 0.415 2312 S N -0.765 115.053 115.700 0.196 0.000 2.901 2312 S HA 0.070 4.540 4.470 -0.000 0.000 0.248 2312 S C 1.374 176.143 174.600 0.281 0.000 1.021 2312 S CA -0.629 57.725 58.200 0.258 0.000 1.090 2312 S CB 1.311 64.736 63.200 0.375 0.000 1.039 2312 S HN 0.316 nan 8.310 nan 0.000 0.514 2313 K N 2.597 123.112 120.400 0.192 0.000 2.074 2313 K HA -0.141 4.178 4.320 -0.000 0.000 0.209 2313 K C 0.993 177.628 176.600 0.059 0.000 1.048 2313 K CA 1.553 57.927 56.287 0.145 0.000 0.926 2313 K CB -0.100 32.458 32.500 0.096 0.000 0.713 2313 K HN 0.223 nan 8.250 nan 0.000 0.444 2314 N N 1.204 119.937 118.700 0.055 0.000 2.571 2314 N HA -0.073 4.667 4.740 -0.000 0.000 0.189 2314 N C 0.749 176.278 175.510 0.031 0.000 1.154 2314 N CA 0.525 53.595 53.050 0.033 0.000 0.907 2314 N CB -0.173 38.337 38.487 0.038 0.000 0.977 2314 N HN 0.270 nan 8.380 nan 0.000 0.449 2315 N N -0.064 118.641 118.700 0.008 0.000 2.457 2315 N HA -0.096 4.644 4.740 -0.000 0.000 0.180 2315 N C -0.377 175.067 175.510 -0.109 0.000 1.050 2315 N CA 0.387 53.436 53.050 -0.001 0.000 0.906 2315 N CB -0.005 38.569 38.487 0.145 0.000 0.968 2315 N HN 0.288 nan 8.380 nan 0.000 0.445 2316 Y N 1.005 121.019 120.300 -0.476 0.000 2.328 2316 Y HA 0.520 5.070 4.550 -0.000 0.000 0.333 2316 Y C -1.324 174.492 175.900 -0.140 0.000 0.958 2316 Y CA -1.922 55.880 58.100 -0.496 0.000 1.167 2316 Y CB 0.436 38.236 38.460 -1.100 0.000 1.151 2316 Y HN -0.178 nan 8.280 nan 0.000 0.470 2317 L N 7.458 128.584 121.223 -0.161 0.000 2.325 2317 L HA 0.648 4.988 4.340 -0.000 0.000 0.281 2317 L C -1.276 175.370 176.870 -0.374 0.000 1.004 2317 L CA -0.644 54.040 54.840 -0.261 0.000 0.823 2317 L CB 1.152 43.168 42.059 -0.072 0.000 1.236 2317 L HN 0.701 nan 8.230 nan 0.000 0.415 2318 R N 4.271 124.500 120.500 -0.450 0.000 2.310 2318 R HA 0.671 5.011 4.340 -0.000 0.000 0.324 2318 R C -1.854 174.319 176.300 -0.212 0.000 0.955 2318 R CA -0.484 55.428 56.100 -0.313 0.000 0.830 2318 R CB 1.343 31.421 30.300 -0.370 0.000 1.154 2318 R HN 0.457 nan 8.270 nan 0.000 0.458 2319 V N 5.318 125.034 119.914 -0.329 0.000 2.311 2319 V HA 0.429 4.549 4.120 -0.000 0.000 0.275 2319 V C -0.522 175.318 176.094 -0.422 0.000 1.022 2319 V CA -0.547 61.347 62.300 -0.677 0.000 0.830 2319 V CB 0.739 32.148 31.823 -0.691 0.000 1.012 2319 V HN 0.745 nan 8.190 nan 0.000 0.452 2320 Q N 3.230 122.837 119.800 -0.321 0.000 2.359 2320 Q HA 0.571 4.911 4.340 -0.000 0.000 0.274 2320 Q C -1.007 174.960 176.000 -0.054 0.000 1.074 2320 Q CA -0.610 55.113 55.803 -0.133 0.000 0.810 2320 Q CB 2.350 31.058 28.738 -0.049 0.000 1.342 2320 Q HN 0.726 nan 8.270 nan 0.000 0.427 2321 E N 1.942 122.118 120.200 -0.041 0.000 2.134 2321 E HA 0.332 4.682 4.350 -0.000 0.000 0.278 2321 E C -0.651 175.953 176.600 0.008 0.000 0.959 2321 E CA -0.060 56.338 56.400 -0.003 0.000 0.783 2321 E CB 0.627 30.314 29.700 -0.020 0.000 1.095 2321 E HN 0.655 nan 8.360 nan 0.000 0.399 2322 N N 3.292 122.006 118.700 0.024 0.000 2.230 2322 N HA 0.161 4.901 4.740 -0.000 0.000 0.202 2322 N C -0.561 174.948 175.510 -0.001 0.000 1.119 2322 N CA 0.336 53.397 53.050 0.017 0.000 0.851 2322 N CB 1.179 39.684 38.487 0.029 0.000 0.990 2322 N HN 0.362 nan 8.380 nan 0.000 0.497 2323 A N 1.078 123.900 122.820 0.004 0.000 3.308 2323 A HA 0.376 4.696 4.320 -0.000 0.000 0.275 2323 A C -0.016 177.569 177.584 0.003 0.000 0.950 2323 A CA -0.472 51.565 52.037 0.000 0.000 0.987 2323 A CB -0.122 18.893 19.000 0.025 0.000 1.146 2323 A HN 0.068 nan 8.150 nan 0.000 0.488 2324 L N 1.527 122.744 121.223 -0.009 0.000 2.426 2324 L HA 0.447 4.787 4.340 -0.000 0.000 0.271 2324 L C 0.948 177.813 176.870 -0.008 0.000 1.169 2324 L CA 0.209 55.043 54.840 -0.011 0.000 0.836 2324 L CB 1.151 43.198 42.059 -0.021 0.000 1.112 2324 L HN 0.626 nan 8.230 nan 0.000 0.465 2325 T N -0.706 113.846 114.554 -0.003 0.000 2.901 2325 T HA 0.752 5.101 4.350 -0.000 0.000 0.293 2325 T C 0.322 175.018 174.700 -0.006 0.000 1.084 2325 T CA -0.094 62.007 62.100 0.001 0.000 1.008 2325 T CB 1.903 70.781 68.868 0.018 0.000 1.170 2325 T HN 1.013 nan 8.240 nan 0.000 0.509 2326 G N 1.605 110.402 108.800 -0.006 0.000 2.582 2326 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.288 2326 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.288 2326 G C 1.159 176.049 174.900 -0.018 0.000 1.247 2326 G CA 1.625 46.720 45.100 -0.009 0.000 0.972 2326 G HN 2.134 nan 8.290 nan 0.000 0.557 2327 T N -2.996 111.545 114.554 -0.022 0.000 2.929 2327 T HA -0.039 4.311 4.350 -0.000 0.000 0.271 2327 T C 2.228 176.898 174.700 -0.050 0.000 1.085 2327 T CA 2.614 64.694 62.100 -0.034 0.000 1.125 2327 T CB -0.576 68.270 68.868 -0.036 0.000 0.874 2327 T HN 0.775 nan 8.240 nan 0.000 0.494 2328 T N 2.401 116.928 114.554 -0.045 0.000 2.977 2328 T HA -0.079 4.271 4.350 -0.000 0.000 0.271 2328 T C 2.228 176.893 174.700 -0.060 0.000 1.105 2328 T CA 1.707 63.773 62.100 -0.056 0.000 1.116 2328 T CB -0.713 68.132 68.868 -0.038 0.000 0.878 2328 T HN 0.876 nan 8.240 nan 0.000 0.509 2329 T N -0.655 113.872 114.554 -0.045 0.000 2.904 2329 T HA 0.032 4.382 4.350 -0.000 0.000 0.267 2329 T C 0.953 175.625 174.700 -0.048 0.000 1.059 2329 T CA 0.402 62.480 62.100 -0.037 0.000 1.137 2329 T CB 0.041 68.897 68.868 -0.019 0.000 0.879 2329 T HN 0.175 nan 8.240 nan 0.000 0.467 2333 D N 1.222 121.437 120.400 -0.308 0.000 2.383 2333 D HA 0.370 5.010 4.640 -0.000 0.000 0.245 2333 D C 0.296 176.466 176.300 -0.216 0.000 1.263 2333 D CA 0.143 54.025 54.000 -0.197 0.000 0.936 2333 D CB 0.690 41.413 40.800 -0.129 0.000 1.053 2333 D HN 0.170 nan 8.370 nan 0.000 0.507 2334 A N 3.185 125.914 122.820 -0.152 0.000 2.640 2334 A HA 0.201 4.521 4.320 -0.000 0.000 0.282 2334 A C 0.906 178.441 177.584 -0.081 0.000 1.357 2334 A CA -0.442 51.540 52.037 -0.093 0.000 0.946 2334 A CB -0.365 18.684 19.000 0.082 0.000 1.065 2334 A HN 0.458 nan 8.150 nan 0.000 0.541 2335 S N -0.952 114.700 115.700 -0.080 0.000 2.593 2335 S HA 0.222 4.692 4.470 -0.000 0.000 0.269 2335 S C 0.935 175.495 174.600 -0.067 0.000 1.334 2335 S CA 0.304 58.474 58.200 -0.051 0.000 1.015 2335 S CB 1.208 64.388 63.200 -0.034 0.000 0.912 2335 S HN 0.390 nan 8.310 nan 0.000 0.541 2336 E N 2.180 122.368 120.200 -0.019 0.000 2.058 2336 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 2336 E C 2.128 178.754 176.600 0.043 0.000 0.997 2336 E CA 2.042 58.461 56.400 0.033 0.000 0.801 2336 E CB -0.982 28.762 29.700 0.073 0.000 0.746 2336 E HN 0.844 nan 8.360 nan 0.000 0.450 2337 A N 0.890 123.725 122.820 0.024 0.000 1.940 2337 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 2337 A C 1.628 179.214 177.584 0.003 0.000 1.176 2337 A CA 1.293 53.345 52.037 0.025 0.000 0.631 2337 A CB -0.775 18.232 19.000 0.012 0.000 0.814 2337 A HN 0.436 nan 8.150 nan 0.000 0.446 2341 L N 1.270 122.527 121.223 0.057 0.000 2.093 2341 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 2341 L C 2.185 179.067 176.870 0.020 0.000 1.085 2341 L CA 1.069 55.926 54.840 0.029 0.000 0.755 2341 L CB -0.206 41.856 42.059 0.004 0.000 0.904 2341 L HN 0.169 nan 8.230 nan 0.000 0.435 2342 L N -1.155 120.070 121.223 0.003 0.000 2.046 2342 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 2342 L C 2.504 179.393 176.870 0.033 0.000 1.077 2342 L CA 0.778 55.609 54.840 -0.015 0.000 0.747 2342 L CB -0.470 41.542 42.059 -0.077 0.000 0.896 2342 L HN 0.049 nan 8.230 nan 0.000 0.432 2343 V N -0.507 119.468 119.914 0.101 0.000 2.407 2343 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 2343 V C 2.449 178.586 176.094 0.072 0.000 1.055 2343 V CA 1.675 64.053 62.300 0.129 0.000 1.049 2343 V CB -0.477 31.468 31.823 0.203 0.000 0.662 2343 V HN 0.494 nan 8.190 nan 0.000 0.455 2344 Q N -0.651 119.185 119.800 0.060 0.000 2.050 2344 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 2344 Q C 2.454 178.466 176.000 0.020 0.000 0.980 2344 Q CA 2.002 57.827 55.803 0.036 0.000 0.840 2344 Q CB -0.401 28.357 28.738 0.033 0.000 0.898 2344 Q HN 0.622 nan 8.270 nan 0.000 0.424 2345 V N -0.083 119.839 119.914 0.013 0.000 2.407 2345 V HA -0.134 3.986 4.120 -0.000 0.000 0.248 2345 V C 1.844 177.935 176.094 -0.006 0.000 1.055 2345 V CA 2.382 64.683 62.300 0.001 0.000 1.049 2345 V CB -0.882 30.936 31.823 -0.009 0.000 0.662 2345 V HN 0.434 nan 8.190 nan 0.000 0.455 2346 G N -0.189 108.611 108.800 -0.001 0.000 2.421 2346 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 2346 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 2346 G C 1.415 176.305 174.900 -0.016 0.000 1.171 2346 G CA 0.946 46.041 45.100 -0.009 0.000 0.775 2346 G HN 0.651 nan 8.290 nan 0.000 0.543 2347 E N 0.761 120.962 120.200 0.002 0.000 2.077 2347 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 2347 E C 2.348 178.935 176.600 -0.022 0.000 0.989 2347 E CA 0.873 57.268 56.400 -0.008 0.000 0.800 2347 E CB -0.153 29.554 29.700 0.012 0.000 0.746 2347 E HN 0.273 nan 8.360 nan 0.000 0.452 2348 N N 1.052 119.747 118.700 -0.008 0.000 2.244 2348 N HA -0.115 4.625 4.740 -0.000 0.000 0.183 2348 N C 1.846 177.358 175.510 0.004 0.000 1.016 2348 N CA 0.489 53.538 53.050 -0.003 0.000 0.866 2348 N CB -0.252 38.238 38.487 0.006 0.000 0.980 2348 N HN 0.083 nan 8.380 nan 0.000 0.430 2349 L N 1.022 122.245 121.223 -0.000 0.000 2.079 2349 L HA -0.076 4.264 4.340 -0.000 0.000 0.210 2349 L C 1.829 178.738 176.870 0.065 0.000 1.081 2349 L CA 1.216 56.072 54.840 0.027 0.000 0.752 2349 L CB -0.748 41.280 42.059 -0.052 0.000 0.896 2349 L HN 0.077 nan 8.230 nan 0.000 0.433 2350 L N -0.487 120.711 121.223 -0.041 0.000 2.127 2350 L HA -0.192 4.148 4.340 -0.000 0.000 0.211 2350 L C 2.294 179.132 176.870 -0.053 0.000 1.089 2350 L CA 1.590 56.363 54.840 -0.111 0.000 0.757 2350 L CB -1.231 40.663 42.059 -0.275 0.000 0.899 2350 L HN 0.312 nan 8.230 nan 0.000 0.434 2351 K N -0.253 120.130 120.400 -0.029 0.000 2.418 2351 K HA 0.060 4.380 4.320 -0.000 0.000 0.195 2351 K C 0.656 177.246 176.600 -0.017 0.000 1.035 2351 K CA 0.173 56.444 56.287 -0.027 0.000 1.003 2351 K CB 0.144 32.631 32.500 -0.022 0.000 0.793 2351 K HN 0.335 nan 8.250 nan 0.000 0.494 2352 K N 1.819 122.233 120.400 0.024 0.000 2.107 2352 K HA 0.212 4.532 4.320 -0.000 0.000 0.251 2352 K C -2.368 174.124 176.600 -0.180 0.000 1.012 2352 K CA -1.717 54.558 56.287 -0.019 0.000 0.920 2352 K CB 0.248 32.786 32.500 0.064 0.000 1.033 2352 K HN -0.077 nan 8.250 nan 0.000 0.478 2353 P HA 0.011 nan 4.420 nan 0.000 0.279 2353 P C 0.975 177.867 177.300 -0.680 0.000 1.252 2353 P CA -0.413 62.471 63.100 -0.360 0.000 0.811 2353 P CB 0.807 32.387 31.700 -0.199 0.000 1.035 2354 V N -0.167 119.330 119.914 -0.695 0.000 2.427 2354 V HA -0.035 4.085 4.120 -0.000 0.000 0.248 2354 V C 0.795 176.684 176.094 -0.341 0.000 1.051 2354 V CA 2.146 63.999 62.300 -0.745 0.000 1.048 2354 V CB -1.253 30.340 31.823 -0.384 0.000 0.666 2354 V HN 0.764 nan 8.190 nan 0.000 0.456 2355 S N -1.400 114.165 115.700 -0.224 0.000 2.880 2355 S HA 0.473 4.943 4.470 -0.000 0.000 0.308 2355 S C -0.654 173.891 174.600 -0.091 0.000 1.195 2355 S CA -0.632 57.495 58.200 -0.121 0.000 0.866 2355 S CB 1.760 64.910 63.200 -0.083 0.000 1.254 2355 S HN 0.559 nan 8.310 nan 0.000 0.571 2356 E N 0.167 120.335 120.200 -0.053 0.000 2.301 2356 E HA 0.209 4.559 4.350 -0.000 0.000 0.275 2356 E C -0.717 175.863 176.600 -0.033 0.000 1.030 2356 E CA 0.031 56.410 56.400 -0.036 0.000 0.852 2356 E CB 0.549 30.240 29.700 -0.015 0.000 1.060 2356 E HN 0.662 nan 8.360 nan 0.000 0.401 2357 D N 2.206 122.588 120.400 -0.030 0.000 3.039 2357 D HA -0.262 4.378 4.640 -0.000 0.000 0.222 2357 D C -0.654 175.627 176.300 -0.032 0.000 1.179 2357 D CA 1.230 55.215 54.000 -0.025 0.000 0.880 2357 D CB -1.419 39.372 40.800 -0.015 0.000 1.115 2357 D HN 0.648 nan 8.370 nan 0.000 0.416 2358 N N -0.224 118.447 118.700 -0.048 0.000 2.626 2358 N HA 0.236 4.976 4.740 -0.000 0.000 0.249 2358 N C -1.711 173.756 175.510 -0.073 0.000 1.021 2358 N CA -1.562 51.454 53.050 -0.057 0.000 0.886 2358 N CB 1.343 39.788 38.487 -0.070 0.000 1.149 2358 N HN -0.185 nan 8.380 nan 0.000 0.517 2359 P HA -0.155 nan 4.420 nan 0.000 0.225 2359 P C -0.006 177.249 177.300 -0.074 0.000 1.148 2359 P CA 0.777 63.842 63.100 -0.059 0.000 0.779 2359 P CB 0.203 31.881 31.700 -0.038 0.000 0.780 2360 E N 1.407 121.561 120.200 -0.077 0.000 2.558 2360 E HA 0.032 4.382 4.350 -0.000 0.000 0.255 2360 E C 0.206 176.724 176.600 -0.137 0.000 0.968 2360 E CA 0.135 56.487 56.400 -0.081 0.000 0.939 2360 E CB 0.415 30.076 29.700 -0.064 0.000 0.921 2360 E HN 0.173 nan 8.360 nan 0.000 0.477 2361 T N 1.552 116.039 114.554 -0.111 0.000 2.874 2361 T HA 0.111 4.461 4.350 -0.000 0.000 0.281 2361 T C 1.093 175.722 174.700 -0.117 0.000 0.994 2361 T CA -0.340 61.672 62.100 -0.146 0.000 1.015 2361 T CB 0.513 69.333 68.868 -0.081 0.000 1.028 2361 T HN 0.510 nan 8.240 nan 0.000 0.523 2362 Y N -0.018 120.230 120.300 -0.086 0.000 2.207 2362 Y HA -0.131 4.419 4.550 -0.000 0.000 0.287 2362 Y C 2.860 178.685 175.900 -0.124 0.000 1.156 2362 Y CA 1.621 59.660 58.100 -0.102 0.000 1.182 2362 Y CB -0.076 38.310 38.460 -0.124 0.000 0.979 2362 Y HN 0.878 nan 8.280 nan 0.000 0.521 2363 E N 0.763 120.941 120.200 -0.037 0.000 2.058 2363 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 2363 E C 1.839 178.459 176.600 0.035 0.000 0.997 2363 E CA 1.892 58.172 56.400 -0.200 0.000 0.801 2363 E CB -0.032 29.517 29.700 -0.251 0.000 0.746 2363 E HN 0.625 nan 8.360 nan 0.000 0.450 2364 E N 0.340 120.566 120.200 0.043 0.000 2.072 2364 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 2364 E C 2.197 178.860 176.600 0.105 0.000 0.985 2364 E CA 0.843 57.290 56.400 0.079 0.000 0.801 2364 E CB -0.264 29.458 29.700 0.036 0.000 0.750 2364 E HN 0.328 nan 8.360 nan 0.000 0.452 2365 A N 2.016 124.892 122.820 0.093 0.000 1.908 2365 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 2365 A C 2.324 180.025 177.584 0.196 0.000 1.181 2365 A CA 1.147 53.259 52.037 0.125 0.000 0.627 2365 A CB -0.754 18.314 19.000 0.113 0.000 0.818 2365 A HN 0.157 nan 8.150 nan 0.000 0.445 2366 L N -1.042 120.305 121.223 0.207 0.000 2.083 2366 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 2366 L C 2.576 179.632 176.870 0.309 0.000 1.083 2366 L CA 1.670 56.671 54.840 0.268 0.000 0.752 2366 L CB -0.327 41.916 42.059 0.306 0.000 0.899 2366 L HN 0.327 nan 8.230 nan 0.000 0.433 2367 K N -0.275 120.300 120.400 0.291 0.000 2.057 2367 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 2367 K C 2.256 178.937 176.600 0.136 0.000 1.049 2367 K CA 1.317 57.723 56.287 0.198 0.000 0.931 2367 K CB -0.033 32.575 32.500 0.181 0.000 0.714 2367 K HN 0.151 nan 8.250 nan 0.000 0.440 2368 R N -0.452 120.133 120.500 0.142 0.000 2.073 2368 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 2368 R C 2.103 178.468 176.300 0.107 0.000 1.134 2368 R CA 1.643 57.803 56.100 0.100 0.000 0.952 2368 R CB -0.407 29.950 30.300 0.094 0.000 0.850 2368 R HN 0.142 nan 8.270 nan 0.000 0.433 2369 F N 1.028 121.001 119.950 0.038 0.000 2.095 2369 F HA -0.235 4.292 4.527 -0.000 0.000 0.298 2369 F C 2.317 178.107 175.800 -0.015 0.000 1.104 2369 F CA 1.521 59.539 58.000 0.030 0.000 1.232 2369 F CB -0.328 38.715 39.000 0.071 0.000 0.987 2369 F HN 0.057 nan 8.300 nan 0.000 0.475 2370 A N -0.040 122.910 122.820 0.217 0.000 1.892 2370 A HA -0.320 4.000 4.320 -0.000 0.000 0.218 2370 A C 2.100 179.649 177.584 -0.059 0.000 1.188 2370 A CA 2.212 54.269 52.037 0.034 0.000 0.631 2370 A CB -0.888 18.104 19.000 -0.012 0.000 0.822 2370 A HN 0.378 nan 8.150 nan 0.000 0.447 2371 K N -0.114 120.269 120.400 -0.029 0.000 2.103 2371 K HA -0.044 4.276 4.320 -0.000 0.000 0.207 2371 K C 1.737 178.294 176.600 -0.071 0.000 1.048 2371 K CA 1.485 57.746 56.287 -0.043 0.000 0.930 2371 K CB -0.515 31.973 32.500 -0.020 0.000 0.716 2371 K HN 0.485 nan 8.250 nan 0.000 0.444 2372 L N 0.034 121.186 121.223 -0.119 0.000 2.056 2372 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 2372 L C 2.313 179.082 176.870 -0.168 0.000 1.078 2372 L CA 1.036 55.773 54.840 -0.173 0.000 0.749 2372 L CB -0.387 41.491 42.059 -0.302 0.000 0.901 2372 L HN 0.179 nan 8.230 nan 0.000 0.433 2373 L N -1.006 120.099 121.223 -0.196 0.000 2.012 2373 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 2373 L C 2.879 179.780 176.870 0.051 0.000 1.073 2373 L CA 1.592 56.355 54.840 -0.128 0.000 0.748 2373 L CB -0.609 41.320 42.059 -0.216 0.000 0.891 2373 L HN 0.291 nan 8.230 nan 0.000 0.431 2374 S N -0.330 115.374 115.700 0.007 0.000 2.356 2374 S HA -0.225 4.245 4.470 -0.000 0.000 0.223 2374 S C 1.705 176.341 174.600 0.061 0.000 1.032 2374 S CA 1.756 60.022 58.200 0.110 0.000 1.005 2374 S CB -0.249 62.962 63.200 0.018 0.000 0.867 2374 S HN 0.380 nan 8.310 nan 0.000 0.449 2375 D N 0.865 121.265 120.400 0.001 0.000 2.117 2375 D HA -0.093 4.547 4.640 -0.000 0.000 0.197 2375 D C 2.179 178.467 176.300 -0.019 0.000 0.987 2375 D CA 0.885 54.877 54.000 -0.013 0.000 0.829 2375 D CB -0.430 40.352 40.800 -0.030 0.000 0.961 2375 D HN 0.439 nan 8.370 nan 0.000 0.460 2376 R N 0.998 121.480 120.500 -0.031 0.000 2.073 2376 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 2376 R C 2.135 178.411 176.300 -0.040 0.000 1.134 2376 R CA 1.467 57.542 56.100 -0.043 0.000 0.952 2376 R CB -0.048 30.214 30.300 -0.063 0.000 0.850 2376 R HN 0.037 nan 8.270 nan 0.000 0.433 2377 K N 0.603 120.988 120.400 -0.024 0.000 2.103 2377 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 2377 K C 1.945 178.511 176.600 -0.056 0.000 1.048 2377 K CA 1.670 57.916 56.287 -0.069 0.000 0.930 2377 K CB 0.071 32.500 32.500 -0.118 0.000 0.716 2377 K HN 0.096 nan 8.250 nan 0.000 0.444 2378 K N 0.328 120.713 120.400 -0.025 0.000 2.057 2378 K HA -0.066 4.254 4.320 -0.000 0.000 0.206 2378 K C 2.078 178.661 176.600 -0.029 0.000 1.050 2378 K CA 1.207 57.480 56.287 -0.023 0.000 0.935 2378 K CB -0.023 32.472 32.500 -0.008 0.000 0.715 2378 K HN 0.135 nan 8.250 nan 0.000 0.439 2379 L N 0.077 121.282 121.223 -0.030 0.000 2.093 2379 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 2379 L C 2.434 179.282 176.870 -0.037 0.000 1.085 2379 L CA 1.010 55.832 54.840 -0.030 0.000 0.755 2379 L CB -0.186 41.855 42.059 -0.030 0.000 0.904 2379 L HN 0.079 nan 8.230 nan 0.000 0.435 2380 R N -0.377 120.095 120.500 -0.047 0.000 2.148 2380 R HA -0.102 4.238 4.340 -0.000 0.000 0.227 2380 R C 2.250 178.519 176.300 -0.051 0.000 1.103 2380 R CA 1.254 57.322 56.100 -0.054 0.000 0.983 2380 R CB -0.185 30.072 30.300 -0.071 0.000 0.874 2380 R HN 0.366 nan 8.270 nan 0.000 0.451 2381 A N 0.037 122.828 122.820 -0.048 0.000 1.935 2381 A HA -0.042 4.278 4.320 -0.000 0.000 0.214 2381 A C 1.592 179.156 177.584 -0.033 0.000 1.178 2381 A CA 1.066 53.077 52.037 -0.043 0.000 0.640 2381 A CB -0.328 18.645 19.000 -0.045 0.000 0.825 2381 A HN 0.382 nan 8.150 nan 0.000 0.447 2382 N N -0.618 118.065 118.700 -0.029 0.000 2.106 2382 N HA -0.066 4.674 4.740 -0.000 0.000 0.188 2382 N C 1.015 176.511 175.510 -0.022 0.000 1.029 2382 N CA 0.846 53.882 53.050 -0.023 0.000 0.848 2382 N CB 0.028 38.503 38.487 -0.020 0.000 1.007 2382 N HN 0.337 nan 8.380 nan 0.000 0.423 2383 K N 0.000 120.385 120.400 -0.025 0.000 2.780 2383 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 2383 K CA 0.000 56.273 56.287 -0.023 0.000 0.838 2383 K CB 0.000 32.486 32.500 -0.023 0.000 1.064 2383 K HN 0.000 nan 8.250 nan 0.000 0.543